Charm++: standalone mode (not using charmrun) Charm++> Running in Multicore mode: 1 threads Charm++> Using recursive bisection (scheme 3) for topology aware partitions Converse/Charm++ Commit ID: v6.7.0-0-g46f867c-namd-charm-6.7.0-build-2015-Dec-21-45876 Warning> Randomization of stack pointer is turned on in kernel, thread migration may not work! Run 'echo 0 > /proc/sys/kernel/randomize_va_space' as root to disable it, or try run with '+isomalloc_sync'. CharmLB> Load balancer assumes all CPUs are same. Charm++> Running on 1 unique compute nodes (48-way SMP). Charm++> cpu topology info is gathered in 0.003 seconds. Info: Built with CUDA version 6000 Did not find +devices i,j,k,... argument, using all Pe 0 physical rank 0 binding to CUDA device 0 on glasgow.ks.uiuc.edu: 'GeForce GTX 980' Mem: 4095MB Rev: 5.2 Info: NAMD 2.11 for Linux-x86_64-multicore-CUDA Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: for updates, documentation, and support information. Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 60700 for multicore-linux64-iccstatic Info: Built Mon Dec 21 10:47:12 CST 2015 by jim on despina.ks.uiuc.edu Info: 1 NAMD 2.11 Linux-x86_64-multicore-CUDA 1 glasgow.ks.uiuc.edu trudack Info: Running on 1 processors, 1 nodes, 1 physical nodes. Info: CPU topology information available. Info: Charm++/Converse parallel runtime startup completed at 1.23568 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 8.8125 MB of memory in use based on /proc/self/stat Info: Configuration file is Equilibration.conf Info: Working in the current directory /Scr/scr-test-trudack/A-modul/1qhj/new_vacuum_0929/1qhj_vacuum/run TCL: Suspending until startup complete. Warning: The following variables were set in the Warning: configuration file but will be ignored: Warning: LangevinPistonTarget (LangevinPiston) Warning: LangevinPistonPeriod (LangevinPiston) Warning: LangevinPistonDecay (LangevinPiston) Warning: LangevinPistonTemp (LangevinPiston) Warning: ionConcentration (GBIS) Warning: alphaCutoff (GBIS) Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: MIN ATOMS PER PATCH 40 Info: VELOCITY FILE Annealing.restart.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 80 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: DCD FILENAME Equilibration.dcd Info: DCD FREQUENCY 20000 Info: DCD FIRST STEP 10000 Info: XST FILENAME Equilibration.xst Info: XST FREQUENCY 20000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME Equilibration Info: RESTART FILENAME Equilibration.restart Info: RESTART FREQUENCY 20000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 15 Info: SWITCHING OFF 16 Info: PAIRLIST DISTANCE 18 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 20.5 Info: ENERGY OUTPUT STEPS 100 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 100 Info: PRESSURE OUTPUT STEPS 100 Info: HARMONIC CONSTRAINTS ACTIVE Info: HARMONIC CONS EXP 2 Info: HARMONIC CONS SCALING 2 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 300 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1475168024 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_vacuum_QwikMD.pdb Info: STRUCTURE FILE 1qhj_vacuum_QwikMD.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS Retinal_schiff_based_qwikmd.str Info: PARAMETERS toppar_water_ions_namd.str Info: PARAMETERS toppar_all36_carb_glycopeptide.str Info: PARAMETERS par_all36_lipid.prm Info: PARAMETERS par_all36_na.prm Info: PARAMETERS par_all36_prot.prm Info: PARAMETERS par_all36_carb.prm Info: PARAMETERS par_all36_cgenff.prm Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES Annealing.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 0.554263 Info: TIME FOR READING PDB FILE: 0.00499511 Info: Info: **************************** Info: STRUCTURE SUMMARY: Info: 3663 ATOMS Info: 3703 BONDS Info: 6693 ANGLES Info: 9759 DIHEDRALS Info: 523 IMPROPERS Info: 225 CROSSTERMS Info: 0 EXCLUSIONS Info: 913 CONSTRAINTS Info: 1877 RIGID BONDS Info: 9112 DEGREES OF FREEDOM Info: 1795 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 1795 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 25404.3 amu Info: TOTAL CHARGE = -0.999998 e Info: ***************************** Info: Reading from binary file Annealing.restart.coor Info: Info: Entering startup at 2.09146 s, 13.9297 MB of memory in use Info: Startup phase 0 took 5.29289e-05 s, 13.9492 MB of memory in use Info: ADDED 19971 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.00307417 s, 15.0742 MB of memory in use Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625 Info: NONBONDED TABLE SIZE: 833 POINTS Info: ABSOLUTE IMPRECISION IN FAST TABLE ENERGY: 1.69737e-21 AT 15.998 Info: RELATIVE IMPRECISION IN FAST TABLE ENERGY: 1.15678e-16 AT 15.998 Info: ABSOLUTE IMPRECISION IN FAST TABLE FORCE: 8.47033e-22 AT 15.998 Info: RELATIVE IMPRECISION IN FAST TABLE FORCE: 1.14081e-16 AT 15.998 Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000290362 AT 0.251946 Info: ABSOLUTE IMPRECISION IN VDWA TABLE ENERGY: 4.93038e-32 AT 15.8094 Info: RELATIVE IMPRECISION IN VDWA TABLE ENERGY: 5.2087e-16 AT 15.8725 Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0167626 AT 14.9979 Info: ABSOLUTE IMPRECISION IN VDWB TABLE ENERGY: 2.38299e-26 AT 15.998 Info: RELATIVE IMPRECISION IN VDWB TABLE ENERGY: 7.97241e-18 AT 15.998 Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.0678971 AT 14.9979 Info: Updated CUDA LJ table with 357 x 357 elements. Info: Updated CUDA force table with 4096 elements. Info: Startup phase 2 took 0.282487 s, 97.7812 MB of memory in use Info: Startup phase 3 took 0.000132084 s, 97.7812 MB of memory in use Info: Startup phase 4 took 0.000102997 s, 97.8125 MB of memory in use Info: Startup phase 5 took 4.57764e-05 s, 97.8125 MB of memory in use Info: PATCH GRID IS 2 BY 2 BY 3 Info: PATCH GRID IS 1-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file Annealing.restart.vel Info: REMOVING COM VELOCITY -0.0486497 0.0902118 0.058455 Info: LARGEST PATCH (6) HAS 489 ATOMS Info: TORUS A SIZE 1 USING 0 Info: TORUS B SIZE 1 USING 0 Info: TORUS C SIZE 1 USING 0 Info: TORUS MINIMAL MESH SIZE IS 1 BY 1 BY 1 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.003824 s, 97.9102 MB of memory in use Info: Startup phase 7 took 9.70364e-05 s, 97.9102 MB of memory in use Info: Startup phase 8 took 6.69956e-05 s, 97.9141 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 9.60827e-05 s, 97.9414 MB of memory in use Info: CREATING 153 COMPUTE OBJECTS CUDA device 0 supports concurrent kernels. Info: Found 308 unique exclusion lists needing 1048 bytes Pe 0 hosts 0 local and 12 remote patches for pe 0 Info: Startup phase 10 took 0.00203896 s, 98.1211 MB of memory in use Info: Startup phase 11 took 4.81606e-05 s, 98.1211 MB of memory in use Info: Startup phase 12 took 7.67708e-05 s, 98.1992 MB of memory in use Info: Finished startup at 2.3836 s, 98.1992 MB of memory in use TCL: Running for 500000 steps Pe 0 has 0 local and 12 remote patches and 0 local and 62 remote computes. PRESSURE: 0 0 0 0 0 0 0 0 0 0 GPRESSURE: 0 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 0 650.8955 1789.9526 2021.3327 99.0782 -15.5716 -1034.1928 162.1013 0.0000 2749.0076 6422.6035 303.6355 3673.5959 6454.3682 303.6355 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 2.4827 LDB: ============== END OF LOAD BALANCING =============== 2.48273 LDB: =============== DONE WITH MIGRATION ================ 2.48279 LDB: ============= START OF LOAD BALANCING ============== 2.80557 LDB: ============== END OF LOAD BALANCING =============== 2.80559 LDB: =============== DONE WITH MIGRATION ================ 2.80566 PRESSURE: 100 0 0 0 0 0 0 0 0 0 GPRESSURE: 100 0 0 0 0 0 0 0 0 0 PRESSAVG: 100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100 0 0 0 0 0 0 0 0 0 Info: Initial time: 1 CPUs 0.00416587 s/step 0.0241081 days/ns 106.414 MB memory TIMING: 100 CPU: 0.428131, 0.00416852/step Wall: 0.42813, 0.00416851/step, 0.578844 hours remaining, 106.414062 MB of memory in use. ENERGY: 100 657.7375 1898.5111 2022.1699 98.1425 -15.7838 -1063.8667 168.7663 0.0000 2670.3384 6436.0151 294.9463 3765.6768 6469.2520 296.7040 LDB: ============= START OF LOAD BALANCING ============== 2.88583 LDB: ============== END OF LOAD BALANCING =============== 2.88584 LDB: =============== DONE WITH MIGRATION ================ 2.88589 LDB: ============= START OF LOAD BALANCING ============== 3.20724 LDB: ============== END OF LOAD BALANCING =============== 3.20726 LDB: =============== DONE WITH MIGRATION ================ 3.20733 PRESSURE: 200 0 0 0 0 0 0 0 0 0 GPRESSURE: 200 0 0 0 0 0 0 0 0 0 PRESSAVG: 200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200 0 0 0 0 0 0 0 0 0 Info: Initial time: 1 CPUs 0.00401518 s/step 0.023236 days/ns 106.457 MB memory TIMING: 200 CPU: 0.829873, 0.00401742/step Wall: 0.829873, 0.00401743/step, 0.557753 hours remaining, 106.457031 MB of memory in use. ENERGY: 200 640.5287 1888.5024 2012.1436 103.1962 -15.4837 -1053.5993 173.7557 0.0000 2688.8738 6437.9173 296.9936 3749.0436 6468.7634 296.2770 LDB: ============= START OF LOAD BALANCING ============== 3.6078 LDB: ============== END OF LOAD BALANCING =============== 3.60781 LDB: =============== DONE WITH MIGRATION ================ 3.60787 PRESSURE: 300 0 0 0 0 0 0 0 0 0 GPRESSURE: 300 0 0 0 0 0 0 0 0 0 PRESSAVG: 300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300 0 0 0 0 0 0 0 0 0 Info: Initial time: 1 CPUs 0.00400324 s/step 0.0231669 days/ns 106.477 MB memory TIMING: 300 CPU: 1.23035, 0.00400476/step Wall: 1.23035, 0.00400476/step, 0.555883 hours remaining, 106.476562 MB of memory in use. ENERGY: 300 632.1428 1849.0115 2009.6656 110.6215 -14.9476 -1040.3520 152.8840 0.0000 2737.1086 6436.1346 302.3213 3699.0260 6471.7444 296.9534 LDB: ============= START OF LOAD BALANCING ============== 4.00835 LDB: ============== END OF LOAD BALANCING =============== 4.00836 LDB: =============== DONE WITH MIGRATION ================ 4.00842 PRESSURE: 400 0 0 0 0 0 0 0 0 0 GPRESSURE: 400 0 0 0 0 0 0 0 0 0 PRESSAVG: 400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400 0 0 0 0 0 0 0 0 0 Info: Benchmark time: 1 CPUs 0.00400401 s/step 0.0231714 days/ns 106.488 MB memory TIMING: 400 CPU: 1.63089, 0.00400546/step Wall: 1.63089, 0.00400546/step, 0.555869 hours remaining, 106.488281 MB of memory in use. ENERGY: 400 659.9590 1908.4333 2005.9438 103.1508 -14.6329 -1070.5743 168.6955 0.0000 2720.1433 6481.1186 300.4474 3760.9753 6512.7442 298.7973 PRESSURE: 500 0 0 0 0 0 0 0 0 0 GPRESSURE: 500 0 0 0 0 0 0 0 0 0 PRESSAVG: 500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 500 0 0 0 0 0 0 0 0 0 Info: Benchmark time: 1 CPUs 0.00399812 s/step 0.0231373 days/ns 106.488 MB memory TIMING: 500 CPU: 2.03076, 0.00399869/step Wall: 2.03076, 0.00399869/step, 0.554818 hours remaining, 106.488281 MB of memory in use. ENERGY: 500 632.1736 1900.9924 2015.4941 100.6291 -15.2971 -1056.4310 162.5816 0.0000 2716.9924 6457.1352 300.0994 3740.1427 6489.7478 297.7706 PRESSURE: 600 0 0 0 0 0 0 0 0 0 GPRESSURE: 600 0 0 0 0 0 0 0 0 0 PRESSAVG: 600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 600 0 0 0 0 0 0 0 0 0 Info: Benchmark time: 1 CPUs 0.00398372 s/step 0.0230539 days/ns 106.543 MB memory TIMING: 600 CPU: 2.4292, 0.00398432/step Wall: 2.4292, 0.00398432/step, 0.552714 hours remaining, 106.542969 MB of memory in use. ENERGY: 600 677.4301 1820.6935 2013.9803 104.3118 -15.7682 -1032.5317 152.7372 0.0000 2696.3106 6417.1636 297.8150 3720.8530 6447.4462 297.4284 PRESSURE: 700 0 0 0 0 0 0 0 0 0 GPRESSURE: 700 0 0 0 0 0 0 0 0 0 PRESSAVG: 700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 700 0 0 0 0 0 0 0 0 0 Info: Benchmark time: 1 CPUs 0.00399594 s/step 0.0231247 days/ns 106.551 MB memory TIMING: 700 CPU: 2.82885, 0.00399652/step Wall: 2.82885, 0.00399652/step, 0.554295 hours remaining, 106.550781 MB of memory in use. ENERGY: 700 664.1872 1884.4881 2014.1159 103.5861 -15.8406 -1061.4981 162.9561 0.0000 2687.1227 6439.1174 296.8002 3751.9947 6471.2557 296.6167 PRESSURE: 800 0 0 0 0 0 0 0 0 0 GPRESSURE: 800 0 0 0 0 0 0 0 0 0 PRESSAVG: 800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 800 0 0 0 0 0 0 0 0 0 Info: Benchmark time: 1 CPUs 0.0039865 s/step 0.02307 days/ns 106.551 MB memory TIMING: 800 CPU: 3.22756, 0.00398708/step Wall: 3.22756, 0.00398708/step, 0.552875 hours remaining, 106.550781 MB of memory in use. ENERGY: 800 679.1879 1891.3924 2001.9195 104.0620 -15.6292 -1067.1924 159.9191 0.0000 2689.4918 6443.1511 297.0619 3753.6592 6478.1677 297.9621 PRESSURE: 900 0 0 0 0 0 0 0 0 0 GPRESSURE: 900 0 0 0 0 0 0 0 0 0 PRESSAVG: 900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 900 0 0 0 0 0 0 0 0 0 Info: Benchmark time: 1 CPUs 0.00398663 s/step 0.0230708 days/ns 106.555 MB memory TIMING: 900 CPU: 3.62628, 0.00398722/step Wall: 3.62628, 0.00398722/step, 0.552784 hours remaining, 106.554688 MB of memory in use. ENERGY: 900 654.1537 1873.1397 1981.6577 95.5101 -16.2794 -1049.9780 151.3498 0.0000 2772.9162 6462.4699 306.2763 3689.5536 6495.0281 296.5090 PRESSURE: 1000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1000 0 0 0 0 0 0 0 0 0 TIMING: 1000 CPU: 4.02603, 0.00399754/step Wall: 4.02603, 0.00399754/step, 0.554104 hours remaining, 106.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1000 684.9936 1830.8045 1989.0685 103.4858 -15.7044 -1031.9095 168.5198 0.0000 2707.0838 6436.3422 299.0049 3729.2584 6470.9524 297.3311 PRESSURE: 1100 0 0 0 0 0 0 0 0 0 GPRESSURE: 1100 0 0 0 0 0 0 0 0 0 PRESSAVG: 1100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1100 0 0 0 0 0 0 0 0 0 TIMING: 1100 CPU: 4.42488, 0.00398849/step Wall: 4.42488, 0.00398849/step, 0.552738 hours remaining, 106.554688 MB of memory in use. ENERGY: 1100 638.2371 1903.4296 2019.8331 98.3424 -16.1305 -1065.9479 162.3641 0.0000 2666.9892 6407.1171 294.5764 3740.1279 6442.6594 296.1722 PRESSURE: 1200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1200 0 0 0 0 0 0 0 0 0 TIMING: 1200 CPU: 4.8247, 0.00399818/step Wall: 4.8247, 0.00399818/step, 0.55397 hours remaining, 106.562500 MB of memory in use. ENERGY: 1200 653.8849 1864.1939 2030.7782 111.6060 -15.5650 -1044.9304 165.2420 0.0000 2698.4062 6463.6157 298.0465 3765.2095 6496.8718 297.7403 PRESSURE: 1300 0 0 0 0 0 0 0 0 0 GPRESSURE: 1300 0 0 0 0 0 0 0 0 0 PRESSAVG: 1300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1300 0 0 0 0 0 0 0 0 0 TIMING: 1300 CPU: 5.22347, 0.0039877/step Wall: 5.22347, 0.0039877/step, 0.552407 hours remaining, 106.562500 MB of memory in use. ENERGY: 1300 651.6643 1909.0590 1996.7223 106.9900 -15.6804 -1061.9076 158.5450 0.0000 2753.9329 6499.3256 304.1796 3745.3926 6535.1729 297.9906 PRESSURE: 1400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1400 0 0 0 0 0 0 0 0 0 TIMING: 1400 CPU: 5.6225, 0.00399036/step Wall: 5.6225, 0.00399036/step, 0.552665 hours remaining, 106.562500 MB of memory in use. ENERGY: 1400 672.0557 1881.1679 2008.6042 105.4858 -14.7137 -1047.9860 156.8642 0.0000 2755.4627 6516.9407 304.3485 3761.4780 6550.8416 300.5857 PRESSURE: 1500 0 0 0 0 0 0 0 0 0 GPRESSURE: 1500 0 0 0 0 0 0 0 0 0 PRESSAVG: 1500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1500 0 0 0 0 0 0 0 0 0 TIMING: 1500 CPU: 6.02219, 0.00399682/step Wall: 6.02219, 0.00399682/step, 0.553449 hours remaining, 106.562500 MB of memory in use. ENERGY: 1500 621.5272 1934.7756 2052.5463 104.6807 -16.0643 -1012.9994 162.5991 0.0000 2694.8403 6541.9055 297.6526 3847.0652 6573.7096 301.7925 PRESSURE: 1600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1600 0 0 0 0 0 0 0 0 0 TIMING: 1600 CPU: 6.42084, 0.00398651/step Wall: 6.42084, 0.00398651/step, 0.55191 hours remaining, 106.562500 MB of memory in use. ENERGY: 1600 627.0836 1883.2786 2012.5723 97.6203 -17.3250 -999.3123 143.8075 0.0000 2757.9952 6505.7201 304.6283 3747.7250 6539.0834 300.6996 PRESSURE: 1700 0 0 0 0 0 0 0 0 0 GPRESSURE: 1700 0 0 0 0 0 0 0 0 0 PRESSAVG: 1700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1700 0 0 0 0 0 0 0 0 0 TIMING: 1700 CPU: 6.82052, 0.00399687/step Wall: 6.82052, 0.00399687/step, 0.553233 hours remaining, 106.562500 MB of memory in use. ENERGY: 1700 652.4603 1933.7735 2013.7209 118.4964 -15.9814 -1026.9433 163.6635 0.0000 2697.2887 6536.4786 297.9231 3839.1899 6565.3214 302.0930 PRESSURE: 1800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1800 0 0 0 0 0 0 0 0 0 TIMING: 1800 CPU: 7.21904, 0.00398518/step Wall: 7.21904, 0.00398518/step, 0.551505 hours remaining, 106.562500 MB of memory in use. ENERGY: 1800 643.7656 1920.2930 2027.8851 119.2331 -15.5228 -1048.3436 173.0676 0.0000 2722.3787 6542.7566 300.6943 3820.3780 6575.8310 301.4464 PRESSURE: 1900 0 0 0 0 0 0 0 0 0 GPRESSURE: 1900 0 0 0 0 0 0 0 0 0 PRESSAVG: 1900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1900 0 0 0 0 0 0 0 0 0 TIMING: 1900 CPU: 7.618, 0.00398957/step Wall: 7.618, 0.00398957/step, 0.552001 hours remaining, 106.562500 MB of memory in use. ENERGY: 1900 665.5502 1891.0815 2024.6876 105.5695 -16.3842 -1066.2260 151.9672 0.0000 2797.6224 6553.8682 309.0052 3756.2458 6591.3463 303.6522 PRESSURE: 2000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2000 0 0 0 0 0 0 0 0 0 TIMING: 2000 CPU: 8.01765, 0.00399646/step Wall: 8.01765, 0.00399646/step, 0.552844 hours remaining, 106.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2000 654.8327 1891.9371 2028.3796 91.7755 -15.8076 -1022.2496 171.7995 0.0000 2784.7994 6585.4667 307.5889 3800.6673 6619.9105 304.5083 PRESSURE: 2100 0 0 0 0 0 0 0 0 0 GPRESSURE: 2100 0 0 0 0 0 0 0 0 0 PRESSAVG: 2100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2100 0 0 0 0 0 0 0 0 0 TIMING: 2100 CPU: 8.41633, 0.00398685/step Wall: 8.41633, 0.00398685/step, 0.551403 hours remaining, 106.562500 MB of memory in use. ENERGY: 2100 654.6672 1899.2071 2047.7736 97.7464 -15.3960 -1031.5758 161.2973 0.0000 2786.3025 6600.0221 307.7549 3813.7196 6631.3171 306.1575 PRESSURE: 2200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2200 0 0 0 0 0 0 0 0 0 TIMING: 2200 CPU: 8.81575, 0.00399418/step Wall: 8.81575, 0.00399418/step, 0.552306 hours remaining, 106.562500 MB of memory in use. ENERGY: 2200 655.4507 1948.5900 2025.8932 104.3383 -15.3977 -1022.5714 162.3689 0.0000 2723.2780 6581.9499 300.7936 3858.6718 6612.5863 305.4567 PRESSURE: 2300 0 0 0 0 0 0 0 0 0 GPRESSURE: 2300 0 0 0 0 0 0 0 0 0 PRESSAVG: 2300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2300 0 0 0 0 0 0 0 0 0 TIMING: 2300 CPU: 9.21448, 0.00398729/step Wall: 9.21448, 0.00398729/step, 0.551243 hours remaining, 106.562500 MB of memory in use. ENERGY: 2300 667.0149 1912.2351 2039.0001 104.3464 -16.4163 -1037.6262 147.6792 0.0000 2752.9767 6569.2098 304.0739 3816.2331 6603.1334 304.1221 PRESSURE: 2400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2400 0 0 0 0 0 0 0 0 0 TIMING: 2400 CPU: 9.61317, 0.00398697/step Wall: 9.61317, 0.00398697/step, 0.551088 hours remaining, 106.562500 MB of memory in use. ENERGY: 2400 628.5624 1930.7050 2021.4635 97.0301 -15.9498 -1040.2124 157.6123 0.0000 2729.2058 6508.4170 301.4484 3779.2112 6540.8079 302.3224 PRESSURE: 2500 0 0 0 0 0 0 0 0 0 GPRESSURE: 2500 0 0 0 0 0 0 0 0 0 PRESSAVG: 2500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2500 0 0 0 0 0 0 0 0 0 TIMING: 2500 CPU: 10.0131, 0.00399972/step Wall: 10.0131, 0.00399972/step, 0.552739 hours remaining, 106.562500 MB of memory in use. ENERGY: 2500 639.4397 1920.2117 2035.2032 108.9470 -15.5430 -1049.9720 173.8990 0.0000 2729.5382 6541.7237 301.4851 3812.1856 6573.9852 301.3005 PRESSURE: 2600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2600 0 0 0 0 0 0 0 0 0 TIMING: 2600 CPU: 10.4138, 0.00400614/step Wall: 10.4138, 0.00400614/step, 0.553515 hours remaining, 106.562500 MB of memory in use. ENERGY: 2600 655.1555 1906.2095 2022.2294 113.4731 -15.6226 -1012.9629 159.9881 0.0000 2716.2695 6544.7397 300.0195 3828.4702 6577.6936 303.6795 PRESSURE: 2700 0 0 0 0 0 0 0 0 0 GPRESSURE: 2700 0 0 0 0 0 0 0 0 0 PRESSAVG: 2700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2700 0 0 0 0 0 0 0 0 0 TIMING: 2700 CPU: 10.8136, 0.00399836/step Wall: 10.8136, 0.00399836/step, 0.552329 hours remaining, 106.562500 MB of memory in use. ENERGY: 2700 672.6632 1868.0480 2028.9189 111.0656 -15.4487 -1040.8046 150.4845 0.0000 2774.1452 6549.0721 306.4121 3774.9269 6582.2631 303.1393 PRESSURE: 2800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2800 0 0 0 0 0 0 0 0 0 TIMING: 2800 CPU: 11.2124, 0.0039882/step Wall: 11.2124, 0.0039882/step, 0.550815 hours remaining, 106.562500 MB of memory in use. ENERGY: 2800 640.7699 1892.5093 2039.2980 100.6813 -16.8527 -1044.3275 149.6986 0.0000 2779.2215 6540.9984 306.9728 3761.7768 6577.7633 304.5200 PRESSURE: 2900 0 0 0 0 0 0 0 0 0 GPRESSURE: 2900 0 0 0 0 0 0 0 0 0 PRESSAVG: 2900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2900 0 0 0 0 0 0 0 0 0 TIMING: 2900 CPU: 11.6112, 0.00398785/step Wall: 11.6112, 0.00398785/step, 0.550656 hours remaining, 106.562500 MB of memory in use. ENERGY: 2900 636.8081 1902.4885 2027.0842 103.2496 -15.8135 -1043.2019 165.9271 0.0000 2781.2260 6557.7682 307.1942 3776.5422 6595.8876 302.9771 PRESSURE: 3000 0 0 0 0 0 0 0 0 0 GPRESSURE: 3000 0 0 0 0 0 0 0 0 0 PRESSAVG: 3000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3000 0 0 0 0 0 0 0 0 0 TIMING: 3000 CPU: 12.0111, 0.00399929/step Wall: 12.0111, 0.00399929/step, 0.552124 hours remaining, 106.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 3000 646.9579 1957.2467 2010.0607 102.3453 -15.4060 -1062.9440 162.2695 0.0000 2692.7946 6493.3247 297.4267 3800.5302 6528.4974 302.8559 PRESSURE: 3100 0 0 0 0 0 0 0 0 0 GPRESSURE: 3100 0 0 0 0 0 0 0 0 0 PRESSAVG: 3100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3100 0 0 0 0 0 0 0 0 0 TIMING: 3100 CPU: 12.4099, 0.00398759/step Wall: 12.4099, 0.00398759/step, 0.550398 hours remaining, 106.562500 MB of memory in use. ENERGY: 3100 634.1241 1909.2094 2016.5568 117.1362 -15.7961 -1031.7053 162.3072 0.0000 2677.1368 6468.9693 295.6972 3791.8325 6503.6236 299.0076 PRESSURE: 3200 0 0 0 0 0 0 0 0 0 GPRESSURE: 3200 0 0 0 0 0 0 0 0 0 PRESSAVG: 3200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3200 0 0 0 0 0 0 0 0 0 TIMING: 3200 CPU: 12.8094, 0.00399539/step Wall: 12.8094, 0.00399539/step, 0.551364 hours remaining, 106.562500 MB of memory in use. ENERGY: 3200 648.0736 1903.4665 2011.7349 104.6546 -15.5554 -1074.5284 173.2994 0.0000 2726.3698 6477.5150 301.1351 3751.1452 6510.5676 297.7452 PRESSURE: 3300 0 0 0 0 0 0 0 0 0 GPRESSURE: 3300 0 0 0 0 0 0 0 0 0 PRESSAVG: 3300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3300 0 0 0 0 0 0 0 0 0 TIMING: 3300 CPU: 13.2086, 0.00399126/step Wall: 13.2086, 0.00399126/step, 0.550683 hours remaining, 106.562500 MB of memory in use. ENERGY: 3300 614.9774 1852.3897 2017.7919 98.2442 -15.6823 -1011.5308 163.6735 0.0000 2731.6457 6451.5093 301.7179 3719.8636 6484.6259 297.9299 PRESSURE: 3400 0 0 0 0 0 0 0 0 0 GPRESSURE: 3400 0 0 0 0 0 0 0 0 0 PRESSAVG: 3400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3400 0 0 0 0 0 0 0 0 0 TIMING: 3400 CPU: 13.6075, 0.00398906/step Wall: 13.6075, 0.00398906/step, 0.550269 hours remaining, 106.562500 MB of memory in use. ENERGY: 3400 653.5652 1873.8032 1991.5080 102.6489 -16.1590 -1047.9313 156.7999 0.0000 2738.7895 6453.0246 302.5069 3714.2351 6487.7583 298.3188 PRESSURE: 3500 0 0 0 0 0 0 0 0 0 GPRESSURE: 3500 0 0 0 0 0 0 0 0 0 PRESSAVG: 3500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3500 0 0 0 0 0 0 0 0 0 TIMING: 3500 CPU: 14.0073, 0.00399869/step Wall: 14.0073, 0.00399869/step, 0.551486 hours remaining, 106.562500 MB of memory in use. ENERGY: 3500 659.3305 1894.3430 2026.3614 97.1597 -15.5303 -1070.6020 167.7854 0.0000 2669.7159 6428.5636 294.8776 3758.8477 6461.0718 296.5084 PRESSURE: 3600 0 0 0 0 0 0 0 0 0 GPRESSURE: 3600 0 0 0 0 0 0 0 0 0 PRESSAVG: 3600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3600 0 0 0 0 0 0 0 0 0 TIMING: 3600 CPU: 14.4062, 0.0039883/step Wall: 14.4062, 0.0039883/step, 0.549942 hours remaining, 106.566406 MB of memory in use. ENERGY: 3600 663.5774 1867.4151 1993.5873 95.2812 -15.0450 -1031.8301 168.5058 0.0000 2702.3131 6443.8048 298.4780 3741.4917 6477.4481 296.0732 PRESSURE: 3700 0 0 0 0 0 0 0 0 0 GPRESSURE: 3700 0 0 0 0 0 0 0 0 0 PRESSAVG: 3700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3700 0 0 0 0 0 0 0 0 0 TIMING: 3700 CPU: 14.8052, 0.00399064/step Wall: 14.8052, 0.00399064/step, 0.550154 hours remaining, 106.566406 MB of memory in use. ENERGY: 3700 655.6705 1924.3318 2016.2166 99.5670 -14.5074 -1080.5322 166.2072 0.0000 2653.7714 6420.7248 293.1164 3766.9534 6451.9558 296.9614 PRESSURE: 3800 0 0 0 0 0 0 0 0 0 GPRESSURE: 3800 0 0 0 0 0 0 0 0 0 PRESSAVG: 3800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3800 0 0 0 0 0 0 0 0 0 TIMING: 3800 CPU: 15.205, 0.00399784/step Wall: 15.205, 0.00399784/step, 0.551036 hours remaining, 106.566406 MB of memory in use. ENERGY: 3800 653.9541 1865.3040 2015.3516 99.6561 -15.3523 -1061.2856 171.0676 0.0000 2700.8852 6429.5808 298.3203 3728.6956 6463.0498 295.5957 PRESSURE: 3900 0 0 0 0 0 0 0 0 0 GPRESSURE: 3900 0 0 0 0 0 0 0 0 0 PRESSAVG: 3900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 3900 0 0 0 0 0 0 0 0 0 TIMING: 3900 CPU: 15.604, 0.0039896/step Wall: 15.604, 0.0039896/step, 0.549789 hours remaining, 106.566406 MB of memory in use. ENERGY: 3900 624.8691 1909.8997 2003.2702 108.8818 -14.5862 -1044.4167 161.6193 0.0000 2659.4046 6408.9418 293.7386 3749.5372 6441.8072 297.4686 PRESSURE: 4000 0 0 0 0 0 0 0 0 0 GPRESSURE: 4000 0 0 0 0 0 0 0 0 0 PRESSAVG: 4000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4000 0 0 0 0 0 0 0 0 0 TIMING: 4000 CPU: 16.0039, 0.00399902/step Wall: 16.0039, 0.00399902/step, 0.550976 hours remaining, 106.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 4000 661.9138 1862.7349 2005.8274 109.9738 -14.5812 -1064.0085 180.8890 0.0000 2697.0919 6439.8411 297.9013 3742.7492 6473.3231 295.3447 PRESSURE: 4100 0 0 0 0 0 0 0 0 0 GPRESSURE: 4100 0 0 0 0 0 0 0 0 0 PRESSAVG: 4100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4100 0 0 0 0 0 0 0 0 0 TIMING: 4100 CPU: 16.4025, 0.00398669/step Wall: 16.4025, 0.00398669/step, 0.549167 hours remaining, 106.566406 MB of memory in use. ENERGY: 4100 674.7574 1915.0896 2022.3293 104.7806 -14.2514 -1070.6969 177.8253 0.0000 2672.6849 6482.5187 295.2055 3809.8338 6513.8200 297.3146 PRESSURE: 4200 0 0 0 0 0 0 0 0 0 GPRESSURE: 4200 0 0 0 0 0 0 0 0 0 PRESSAVG: 4200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4200 0 0 0 0 0 0 0 0 0 TIMING: 4200 CPU: 16.8014, 0.00398837/step Wall: 16.8014, 0.00398837/step, 0.549287 hours remaining, 106.566406 MB of memory in use. ENERGY: 4200 671.6033 1881.5315 1998.4607 107.3170 -16.6963 -1031.4263 152.3732 0.0000 2704.0284 6467.1915 298.6675 3763.1631 6502.0266 299.9639 LDB: ============= START OF LOAD BALANCING ============== 19.5787 LDB: ============== END OF LOAD BALANCING =============== 19.5787 LDB: =============== DONE WITH MIGRATION ================ 19.5788 PRESSURE: 4300 0 0 0 0 0 0 0 0 0 GPRESSURE: 4300 0 0 0 0 0 0 0 0 0 PRESSAVG: 4300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4300 0 0 0 0 0 0 0 0 0 TIMING: 4300 CPU: 17.2013, 0.00399921/step Wall: 17.2013, 0.00399921/step, 0.550669 hours remaining, 106.566406 MB of memory in use. ENERGY: 4300 662.0380 1894.4173 2022.4688 105.1882 -16.2327 -1058.7671 169.9594 0.0000 2685.8480 6464.9199 296.6594 3779.0719 6498.3407 299.7766 LDB: ============= START OF LOAD BALANCING ============== 19.9781 LDB: ============== END OF LOAD BALANCING =============== 19.9781 LDB: =============== DONE WITH MIGRATION ================ 19.9782 PRESSURE: 4400 0 0 0 0 0 0 0 0 0 GPRESSURE: 4400 0 0 0 0 0 0 0 0 0 PRESSAVG: 4400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4400 0 0 0 0 0 0 0 0 0 TIMING: 4400 CPU: 17.6006, 0.0039931/step Wall: 17.6006, 0.0039931/step, 0.549717 hours remaining, 106.566406 MB of memory in use. ENERGY: 4400 669.0047 1848.7427 2001.9275 104.6646 -14.9339 -1022.4939 168.1221 0.0000 2728.8665 6483.9004 301.4109 3755.0339 6518.2926 298.6918 PRESSURE: 4500 0 0 0 0 0 0 0 0 0 GPRESSURE: 4500 0 0 0 0 0 0 0 0 0 PRESSAVG: 4500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4500 0 0 0 0 0 0 0 0 0 TIMING: 4500 CPU: 18.0002, 0.00399612/step Wall: 18.0002, 0.00399612/step, 0.550021 hours remaining, 106.566406 MB of memory in use. ENERGY: 4500 648.7484 1927.2233 2029.8850 110.9640 -14.6208 -1047.4598 170.1897 0.0000 2676.5232 6501.4530 295.6294 3824.9299 6532.8274 300.4179 PRESSURE: 4600 0 0 0 0 0 0 0 0 0 GPRESSURE: 4600 0 0 0 0 0 0 0 0 0 PRESSAVG: 4600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4600 0 0 0 0 0 0 0 0 0 TIMING: 4600 CPU: 18.3989, 0.00398685/step Wall: 18.3989, 0.00398685/step, 0.548635 hours remaining, 106.566406 MB of memory in use. ENERGY: 4600 633.1195 1860.5296 2018.1026 98.3828 -14.2467 -1033.8896 178.4737 0.0000 2754.8877 6495.3595 304.2850 3740.4719 6528.8593 298.0760 PRESSURE: 4700 0 0 0 0 0 0 0 0 0 GPRESSURE: 4700 0 0 0 0 0 0 0 0 0 PRESSAVG: 4700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4700 0 0 0 0 0 0 0 0 0 TIMING: 4700 CPU: 18.7975, 0.003986/step Wall: 18.7975, 0.003986/step, 0.548407 hours remaining, 106.566406 MB of memory in use. ENERGY: 4700 643.4141 1905.1476 2007.5600 105.3511 -14.4445 -1031.2408 161.4888 0.0000 2692.7856 6470.0620 297.4257 3777.2763 6502.4346 298.5066 PRESSURE: 4800 0 0 0 0 0 0 0 0 0 GPRESSURE: 4800 0 0 0 0 0 0 0 0 0 PRESSAVG: 4800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4800 0 0 0 0 0 0 0 0 0 TIMING: 4800 CPU: 19.197, 0.00399525/step Wall: 19.197, 0.00399524/step, 0.549567 hours remaining, 106.566406 MB of memory in use. ENERGY: 4800 656.0726 1886.4656 2025.3039 103.9385 -15.5279 -1078.2635 150.5207 0.0000 2748.4118 6476.9217 303.5697 3728.5098 6511.4714 298.4873 PRESSURE: 4900 0 0 0 0 0 0 0 0 0 GPRESSURE: 4900 0 0 0 0 0 0 0 0 0 PRESSAVG: 4900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 4900 0 0 0 0 0 0 0 0 0 TIMING: 4900 CPU: 19.5959, 0.00398912/step Wall: 19.5959, 0.00398913/step, 0.548616 hours remaining, 106.566406 MB of memory in use. ENERGY: 4900 650.8346 1839.4241 2009.4880 114.6550 -14.0718 -1044.1444 165.1781 0.0000 2729.5891 6450.9526 301.4907 3721.3636 6484.4868 298.6973 PRESSURE: 5000 0 0 0 0 0 0 0 0 0 GPRESSURE: 5000 0 0 0 0 0 0 0 0 0 PRESSAVG: 5000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5000 0 0 0 0 0 0 0 0 0 TIMING: 5000 CPU: 19.9956, 0.00399633/step Wall: 19.9956, 0.00399633/step, 0.549495 hours remaining, 106.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 5000 670.1981 1878.9438 2044.4116 103.2090 -14.6570 -1058.0648 147.1557 0.0000 2674.0906 6445.2870 295.3608 3771.1964 6477.2846 298.2015 PRESSURE: 5100 0 0 0 0 0 0 0 0 0 GPRESSURE: 5100 0 0 0 0 0 0 0 0 0 PRESSAVG: 5100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5100 0 0 0 0 0 0 0 0 0 TIMING: 5100 CPU: 20.3943, 0.00398755/step Wall: 20.3943, 0.00398754/step, 0.548176 hours remaining, 106.566406 MB of memory in use. ENERGY: 5100 642.2619 1893.6668 2021.6845 104.7068 -15.9401 -1028.9745 153.2697 0.0000 2659.0216 6429.6966 293.6963 3770.6751 6462.1924 295.9748 PRESSURE: 5200 0 0 0 0 0 0 0 0 0 GPRESSURE: 5200 0 0 0 0 0 0 0 0 0 PRESSAVG: 5200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5200 0 0 0 0 0 0 0 0 0 TIMING: 5200 CPU: 20.7931, 0.00398728/step Wall: 20.7931, 0.00398729/step, 0.548031 hours remaining, 106.566406 MB of memory in use. ENERGY: 5200 620.1678 1889.7847 2026.2829 101.2865 -14.7103 -1047.9941 149.2297 0.0000 2703.1067 6427.1541 298.5657 3724.0473 6461.7269 296.7947 PRESSURE: 5300 0 0 0 0 0 0 0 0 0 GPRESSURE: 5300 0 0 0 0 0 0 0 0 0 PRESSAVG: 5300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5300 0 0 0 0 0 0 0 0 0 TIMING: 5300 CPU: 21.1929, 0.00399829/step Wall: 21.1929, 0.00399829/step, 0.549432 hours remaining, 106.566406 MB of memory in use. ENERGY: 5300 668.2555 1866.6102 2011.1578 107.7625 -14.7451 -1092.0145 162.4287 0.0000 2684.8767 6394.3318 296.5521 3709.4551 6425.1795 294.9873 PRESSURE: 5400 0 0 0 0 0 0 0 0 0 GPRESSURE: 5400 0 0 0 0 0 0 0 0 0 PRESSAVG: 5400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5400 0 0 0 0 0 0 0 0 0 TIMING: 5400 CPU: 21.5919, 0.00399051/step Wall: 21.5919, 0.00399051/step, 0.548252 hours remaining, 106.566406 MB of memory in use. ENERGY: 5400 658.6318 1784.2033 2029.1303 104.1633 -14.8946 -1050.2753 171.9055 0.0000 2683.0766 6365.9409 296.3533 3682.8643 6396.9172 292.7813 PRESSURE: 5500 0 0 0 0 0 0 0 0 0 GPRESSURE: 5500 0 0 0 0 0 0 0 0 0 PRESSAVG: 5500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5500 0 0 0 0 0 0 0 0 0 TIMING: 5500 CPU: 21.9918, 0.00399868/step Wall: 21.9918, 0.00399868/step, 0.549263 hours remaining, 106.566406 MB of memory in use. ENERGY: 5500 650.4217 1814.8172 2013.1014 105.7489 -14.8247 -1036.4107 165.6380 0.0000 2667.1402 6365.6320 294.5931 3698.4918 6401.7527 292.3598 PRESSURE: 5600 0 0 0 0 0 0 0 0 0 GPRESSURE: 5600 0 0 0 0 0 0 0 0 0 PRESSAVG: 5600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5600 0 0 0 0 0 0 0 0 0 TIMING: 5600 CPU: 22.3905, 0.00398675/step Wall: 22.3905, 0.00398675/step, 0.547514 hours remaining, 106.566406 MB of memory in use. ENERGY: 5600 705.3314 1916.2144 2013.2425 87.6173 -15.2601 -1088.8486 175.4944 0.0000 2587.0704 6380.8616 285.7491 3793.7913 6413.1463 293.3450 PRESSURE: 5700 0 0 0 0 0 0 0 0 0 GPRESSURE: 5700 0 0 0 0 0 0 0 0 0 PRESSAVG: 5700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5700 0 0 0 0 0 0 0 0 0 TIMING: 5700 CPU: 22.789, 0.00398557/step Wall: 22.789, 0.00398557/step, 0.547241 hours remaining, 106.566406 MB of memory in use. ENERGY: 5700 668.6172 1891.2558 2012.7692 101.9180 -15.6432 -1051.9439 150.2478 0.0000 2656.8324 6414.0532 293.4545 3757.2209 6445.7365 292.9769 PRESSURE: 5800 0 0 0 0 0 0 0 0 0 GPRESSURE: 5800 0 0 0 0 0 0 0 0 0 PRESSAVG: 5800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5800 0 0 0 0 0 0 0 0 0 TIMING: 5800 CPU: 23.1885, 0.00399513/step Wall: 23.1885, 0.00399513/step, 0.548443 hours remaining, 106.566406 MB of memory in use. ENERGY: 5800 655.6119 1895.3983 1993.8319 93.4349 -16.6757 -1030.6412 156.7027 0.0000 2652.7404 6400.4032 293.0026 3747.6628 6435.4670 296.2315 PRESSURE: 5900 0 0 0 0 0 0 0 0 0 GPRESSURE: 5900 0 0 0 0 0 0 0 0 0 PRESSAVG: 5900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 5900 0 0 0 0 0 0 0 0 0 TIMING: 5900 CPU: 23.5876, 0.00399019/step Wall: 23.5876, 0.00399019/step, 0.547654 hours remaining, 106.566406 MB of memory in use. ENERGY: 5900 647.1357 1841.4932 1999.7394 110.3666 -14.1747 -1051.7127 148.1732 0.0000 2680.3997 6361.4205 296.0576 3681.0208 6396.7354 294.3327 PRESSURE: 6000 0 0 0 0 0 0 0 0 0 GPRESSURE: 6000 0 0 0 0 0 0 0 0 0 PRESSAVG: 6000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6000 0 0 0 0 0 0 0 0 0 TIMING: 6000 CPU: 23.9872, 0.0039959/step Wall: 23.9872, 0.0039959/step, 0.548326 hours remaining, 106.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 6000 656.2310 1887.3569 2001.7321 108.7541 -15.0973 -1061.9202 174.9158 0.0000 2662.9511 6414.9235 294.1304 3751.9724 6444.9923 291.9040 PRESSURE: 6100 0 0 0 0 0 0 0 0 0 GPRESSURE: 6100 0 0 0 0 0 0 0 0 0 PRESSAVG: 6100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6100 0 0 0 0 0 0 0 0 0 TIMING: 6100 CPU: 24.3861, 0.00398918/step Wall: 24.3861, 0.00398918/step, 0.547293 hours remaining, 106.566406 MB of memory in use. ENERGY: 6100 676.4329 1872.9855 2001.7233 90.2223 -15.4751 -1063.0799 155.2823 0.0000 2673.2401 6391.3313 295.2668 3718.0912 6424.8415 295.5421 PRESSURE: 6200 0 0 0 0 0 0 0 0 0 GPRESSURE: 6200 0 0 0 0 0 0 0 0 0 PRESSAVG: 6200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6200 0 0 0 0 0 0 0 0 0 TIMING: 6200 CPU: 24.7851, 0.00399013/step Wall: 24.7851, 0.00399013/step, 0.547313 hours remaining, 106.566406 MB of memory in use. ENERGY: 6200 639.3093 1918.4749 1995.0911 104.5197 -15.4334 -1055.2504 163.6157 0.0000 2663.3186 6413.6455 294.1710 3750.3268 6444.4186 296.3798 PRESSURE: 6300 0 0 0 0 0 0 0 0 0 GPRESSURE: 6300 0 0 0 0 0 0 0 0 0 PRESSAVG: 6300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6300 0 0 0 0 0 0 0 0 0 TIMING: 6300 CPU: 25.1845, 0.00399363/step Wall: 25.1845, 0.00399363/step, 0.547682 hours remaining, 106.566406 MB of memory in use. ENERGY: 6300 655.8080 1923.0810 1989.3020 112.5429 -14.9005 -1087.5243 164.1356 0.0000 2652.8722 6395.3169 293.0171 3742.4447 6428.4951 293.6430 PRESSURE: 6400 0 0 0 0 0 0 0 0 0 GPRESSURE: 6400 0 0 0 0 0 0 0 0 0 PRESSAVG: 6400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6400 0 0 0 0 0 0 0 0 0 TIMING: 6400 CPU: 25.5836, 0.00399189/step Wall: 25.5836, 0.00399189/step, 0.547332 hours remaining, 106.566406 MB of memory in use. ENERGY: 6400 642.7081 1862.4506 2019.9244 97.7670 -15.5075 -1047.0981 158.0476 0.0000 2682.5804 6400.8726 296.2985 3718.2922 6435.5562 295.4048 PRESSURE: 6500 0 0 0 0 0 0 0 0 0 GPRESSURE: 6500 0 0 0 0 0 0 0 0 0 PRESSAVG: 6500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6500 0 0 0 0 0 0 0 0 0 TIMING: 6500 CPU: 25.9832, 0.0039955/step Wall: 25.9832, 0.0039955/step, 0.547716 hours remaining, 106.566406 MB of memory in use. ENERGY: 6500 709.6177 1837.6398 2016.6196 112.6221 -16.1028 -1087.9811 159.1124 0.0000 2685.9065 6417.4343 296.6659 3731.5278 6450.0633 295.3941 PRESSURE: 6600 0 0 0 0 0 0 0 0 0 GPRESSURE: 6600 0 0 0 0 0 0 0 0 0 PRESSAVG: 6600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6600 0 0 0 0 0 0 0 0 0 TIMING: 6600 CPU: 26.3821, 0.00398945/step Wall: 26.3821, 0.00398945/step, 0.546776 hours remaining, 106.566406 MB of memory in use. ENERGY: 6600 633.2395 1895.9125 2032.3881 94.6355 -16.0227 -1071.5197 165.3385 0.0000 2695.3162 6429.2879 297.7052 3733.9717 6463.5967 296.9643 PRESSURE: 6700 0 0 0 0 0 0 0 0 0 GPRESSURE: 6700 0 0 0 0 0 0 0 0 0 PRESSAVG: 6700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6700 0 0 0 0 0 0 0 0 0 TIMING: 6700 CPU: 26.7818, 0.00399633/step Wall: 26.7818, 0.00399633/step, 0.547608 hours remaining, 106.566406 MB of memory in use. ENERGY: 6700 644.0924 1814.3716 2013.9165 97.0543 -15.7375 -1031.8854 154.7835 0.0000 2711.4885 6388.0841 299.4915 3676.5955 6419.8663 294.2485 PRESSURE: 6800 0 0 0 0 0 0 0 0 0 GPRESSURE: 6800 0 0 0 0 0 0 0 0 0 PRESSAVG: 6800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6800 0 0 0 0 0 0 0 0 0 TIMING: 6800 CPU: 27.1815, 0.00399744/step Wall: 27.1815, 0.00399744/step, 0.547649 hours remaining, 106.566406 MB of memory in use. ENERGY: 6800 645.3806 1902.7236 1996.5748 103.1752 -15.8773 -1072.6785 164.5969 0.0000 2687.9541 6411.8494 296.8920 3723.8953 6448.2187 295.3762 PRESSURE: 6900 0 0 0 0 0 0 0 0 0 GPRESSURE: 6900 0 0 0 0 0 0 0 0 0 PRESSAVG: 6900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 6900 0 0 0 0 0 0 0 0 0 TIMING: 6900 CPU: 27.5807, 0.00399179/step Wall: 27.5807, 0.00399179/step, 0.546764 hours remaining, 106.566406 MB of memory in use. ENERGY: 6900 683.2412 1836.6636 2005.1751 104.0767 -15.8810 -1058.1405 160.7861 0.0000 2710.6802 6426.6013 299.4022 3715.9211 6459.1555 296.7057 PRESSURE: 7000 0 0 0 0 0 0 0 0 0 GPRESSURE: 7000 0 0 0 0 0 0 0 0 0 PRESSAVG: 7000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7000 0 0 0 0 0 0 0 0 0 TIMING: 7000 CPU: 27.9801, 0.00399358/step Wall: 27.9801, 0.00399358/step, 0.546899 hours remaining, 106.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 7000 666.7053 1860.8687 2055.0768 113.4831 -13.0016 -1055.2515 155.2179 0.0000 2731.4309 6514.5297 301.6942 3783.0987 6546.2449 299.2550 PRESSURE: 7100 0 0 0 0 0 0 0 0 0 GPRESSURE: 7100 0 0 0 0 0 0 0 0 0 PRESSAVG: 7100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7100 0 0 0 0 0 0 0 0 0 TIMING: 7100 CPU: 28.379, 0.00398912/step Wall: 28.379, 0.00398912/step, 0.546177 hours remaining, 106.566406 MB of memory in use. ENERGY: 7100 658.2804 1905.4744 2027.8181 104.9929 -14.7831 -1044.9501 159.6722 0.0000 2696.9092 6493.4141 297.8811 3796.5049 6526.6645 300.8884 PRESSURE: 7200 0 0 0 0 0 0 0 0 0 GPRESSURE: 7200 0 0 0 0 0 0 0 0 0 PRESSAVG: 7200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7200 0 0 0 0 0 0 0 0 0 TIMING: 7200 CPU: 28.7781, 0.00399096/step Wall: 28.7781, 0.00399096/step, 0.546318 hours remaining, 106.566406 MB of memory in use. ENERGY: 7200 680.4032 1908.7487 2021.5081 106.8215 -14.6056 -1052.0581 158.0812 0.0000 2699.2637 6508.1627 298.1412 3808.8990 6541.1677 299.2035 PRESSURE: 7300 0 0 0 0 0 0 0 0 0 GPRESSURE: 7300 0 0 0 0 0 0 0 0 0 PRESSAVG: 7300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7300 0 0 0 0 0 0 0 0 0 TIMING: 7300 CPU: 29.1777, 0.00399626/step Wall: 29.1777, 0.00399626/step, 0.546933 hours remaining, 106.566406 MB of memory in use. ENERGY: 7300 671.6790 1872.7490 2030.6821 110.7140 -15.9443 -1023.8057 171.4475 0.0000 2701.9162 6519.4379 298.4342 3817.5217 6549.6518 300.6355 PRESSURE: 7400 0 0 0 0 0 0 0 0 0 GPRESSURE: 7400 0 0 0 0 0 0 0 0 0 PRESSAVG: 7400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7400 0 0 0 0 0 0 0 0 0 TIMING: 7400 CPU: 29.5769, 0.00399194/step Wall: 29.5769, 0.00399194/step, 0.54623 hours remaining, 106.566406 MB of memory in use. ENERGY: 7400 677.2278 1933.0178 2028.8320 111.7116 -15.7732 -1063.5782 173.0027 0.0000 2659.9951 6504.4356 293.8039 3844.4405 6535.5447 301.2635 PRESSURE: 7500 0 0 0 0 0 0 0 0 0 GPRESSURE: 7500 0 0 0 0 0 0 0 0 0 PRESSAVG: 7500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7500 0 0 0 0 0 0 0 0 0 TIMING: 7500 CPU: 29.9763, 0.00399448/step Wall: 29.9763, 0.00399448/step, 0.546467 hours remaining, 106.566406 MB of memory in use. ENERGY: 7500 679.0606 1878.8842 2041.9422 97.7534 -14.7540 -1031.5575 151.6726 0.0000 2725.3157 6528.3172 301.0187 3803.0015 6563.1993 300.9143 PRESSURE: 7600 0 0 0 0 0 0 0 0 0 GPRESSURE: 7600 0 0 0 0 0 0 0 0 0 PRESSAVG: 7600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7600 0 0 0 0 0 0 0 0 0 TIMING: 7600 CPU: 30.3752, 0.00398862/step Wall: 30.3752, 0.00398862/step, 0.545555 hours remaining, 106.566406 MB of memory in use. ENERGY: 7600 633.6436 1873.8771 2051.4256 114.8481 -14.4928 -1027.8928 162.7761 0.0000 2710.5490 6504.7339 299.3877 3794.1849 6538.9152 299.4822 PRESSURE: 7700 0 0 0 0 0 0 0 0 0 GPRESSURE: 7700 0 0 0 0 0 0 0 0 0 PRESSAVG: 7700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7700 0 0 0 0 0 0 0 0 0 TIMING: 7700 CPU: 30.7738, 0.0039861/step Wall: 30.7738, 0.0039861/step, 0.545099 hours remaining, 106.566406 MB of memory in use. ENERGY: 7700 681.3647 1878.7241 2049.3473 97.9657 -15.4297 -1049.0654 158.0332 0.0000 2719.8770 6520.8169 300.4180 3800.9399 6555.8694 300.4697 PRESSURE: 7800 0 0 0 0 0 0 0 0 0 GPRESSURE: 7800 0 0 0 0 0 0 0 0 0 PRESSAVG: 7800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7800 0 0 0 0 0 0 0 0 0 TIMING: 7800 CPU: 31.1749, 0.0040114/step Wall: 31.1749, 0.0040114/step, 0.548447 hours remaining, 106.566406 MB of memory in use. ENERGY: 7800 676.8928 1907.0470 2024.9771 97.7056 -13.8584 -1050.1573 163.8137 0.0000 2733.6558 6540.0763 301.9399 3806.4205 6575.5835 300.6704 PRESSURE: 7900 0 0 0 0 0 0 0 0 0 GPRESSURE: 7900 0 0 0 0 0 0 0 0 0 PRESSAVG: 7900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 7900 0 0 0 0 0 0 0 0 0 TIMING: 7900 CPU: 31.5738, 0.00398884/step Wall: 31.5738, 0.00398884/step, 0.545252 hours remaining, 106.566406 MB of memory in use. ENERGY: 7900 658.0825 1867.0346 2048.5648 106.5558 -15.4976 -1044.5215 153.7924 0.0000 2729.9176 6503.9285 301.5270 3774.0109 6541.2398 301.4326 PRESSURE: 8000 0 0 0 0 0 0 0 0 0 GPRESSURE: 8000 0 0 0 0 0 0 0 0 0 PRESSAVG: 8000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8000 0 0 0 0 0 0 0 0 0 TIMING: 8000 CPU: 31.9735, 0.00399703/step Wall: 31.9735, 0.00399703/step, 0.546261 hours remaining, 106.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 8000 637.8440 1860.3129 2054.7271 116.3036 -13.5415 -1009.7247 158.9347 0.0000 2710.8580 6515.7142 299.4218 3804.8561 6552.0224 300.4314 PRESSURE: 8100 0 0 0 0 0 0 0 0 0 GPRESSURE: 8100 0 0 0 0 0 0 0 0 0 PRESSAVG: 8100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8100 0 0 0 0 0 0 0 0 0 TIMING: 8100 CPU: 32.3724, 0.00398899/step Wall: 32.3724, 0.00398899/step, 0.545051 hours remaining, 106.570312 MB of memory in use. ENERGY: 8100 674.1030 1894.9184 2020.0779 113.3218 -15.7887 -1042.9348 159.3525 0.0000 2748.0409 6551.0911 303.5288 3803.0501 6584.9376 302.5460 PRESSURE: 8200 0 0 0 0 0 0 0 0 0 GPRESSURE: 8200 0 0 0 0 0 0 0 0 0 PRESSAVG: 8200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8200 0 0 0 0 0 0 0 0 0 TIMING: 8200 CPU: 32.7711, 0.00398699/step Wall: 32.7711, 0.00398699/step, 0.544667 hours remaining, 106.570312 MB of memory in use. ENERGY: 8200 673.1477 1859.9747 2047.8088 107.7978 -14.4351 -1021.4704 163.5791 0.0000 2768.8696 6585.2721 305.8294 3816.4025 6622.3946 302.9037 LDB: ============= START OF LOAD BALANCING ============== 35.5488 LDB: ============== END OF LOAD BALANCING =============== 35.5489 LDB: =============== DONE WITH MIGRATION ================ 35.5489 PRESSURE: 8300 0 0 0 0 0 0 0 0 0 GPRESSURE: 8300 0 0 0 0 0 0 0 0 0 PRESSAVG: 8300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8300 0 0 0 0 0 0 0 0 0 TIMING: 8300 CPU: 33.1714, 0.0040023/step Wall: 33.1714, 0.0040023/step, 0.546648 hours remaining, 106.570312 MB of memory in use. ENERGY: 8300 711.4951 1877.7110 2042.4287 115.1644 -14.6371 -1013.0640 157.7428 0.0000 2728.4961 6605.3369 301.3700 3876.8408 6639.8720 303.9694 LDB: ============= START OF LOAD BALANCING ============== 35.9487 LDB: ============== END OF LOAD BALANCING =============== 35.9488 LDB: =============== DONE WITH MIGRATION ================ 35.9488 PRESSURE: 8400 0 0 0 0 0 0 0 0 0 GPRESSURE: 8400 0 0 0 0 0 0 0 0 0 PRESSAVG: 8400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8400 0 0 0 0 0 0 0 0 0 TIMING: 8400 CPU: 33.5712, 0.00399884/step Wall: 33.5712, 0.00399884/step, 0.546064 hours remaining, 106.570312 MB of memory in use. ENERGY: 8400 683.2553 1887.0046 2038.8193 106.1534 -15.1822 -1071.9320 161.1272 0.0000 2774.7279 6563.9736 306.4764 3789.2457 6599.8205 303.0534 PRESSURE: 8500 0 0 0 0 0 0 0 0 0 GPRESSURE: 8500 0 0 0 0 0 0 0 0 0 PRESSAVG: 8500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8500 0 0 0 0 0 0 0 0 0 TIMING: 8500 CPU: 33.9711, 0.00399884/step Wall: 33.9711, 0.00399884/step, 0.545953 hours remaining, 106.570312 MB of memory in use. ENERGY: 8500 664.1800 1895.0638 2020.2938 105.5128 -14.9570 -1060.8385 159.1266 0.0000 2769.0416 6537.4232 305.8484 3768.3815 6575.0877 303.6979 PRESSURE: 8600 0 0 0 0 0 0 0 0 0 GPRESSURE: 8600 0 0 0 0 0 0 0 0 0 PRESSAVG: 8600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8600 0 0 0 0 0 0 0 0 0 TIMING: 8600 CPU: 34.37, 0.00398839/step Wall: 34.37, 0.00398839/step, 0.544415 hours remaining, 106.570312 MB of memory in use. ENERGY: 8600 654.5352 1974.9338 2019.2872 113.1148 -14.0642 -1047.8308 161.5743 0.0000 2695.9863 6557.5367 297.7792 3861.5504 6588.9625 302.7058 PRESSURE: 8700 0 0 0 0 0 0 0 0 0 GPRESSURE: 8700 0 0 0 0 0 0 0 0 0 PRESSAVG: 8700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8700 0 0 0 0 0 0 0 0 0 TIMING: 8700 CPU: 34.7687, 0.00398781/step Wall: 34.7687, 0.00398781/step, 0.544225 hours remaining, 106.570312 MB of memory in use. ENERGY: 8700 676.0310 1906.2767 2045.3512 104.2325 -14.9992 -1064.8084 166.0125 0.0000 2757.1369 6575.2332 304.5335 3818.0963 6610.3853 303.8648 PRESSURE: 8800 0 0 0 0 0 0 0 0 0 GPRESSURE: 8800 0 0 0 0 0 0 0 0 0 PRESSAVG: 8800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8800 0 0 0 0 0 0 0 0 0 TIMING: 8800 CPU: 35.1687, 0.00399918/step Wall: 35.1687, 0.00399918/step, 0.545666 hours remaining, 106.570312 MB of memory in use. ENERGY: 8800 653.1921 1864.1169 2018.7889 110.6658 -14.3541 -1046.0841 181.8297 0.0000 2736.3111 6504.4662 302.2332 3768.1551 6539.6922 300.9699 PRESSURE: 8900 0 0 0 0 0 0 0 0 0 GPRESSURE: 8900 0 0 0 0 0 0 0 0 0 PRESSAVG: 8900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 8900 0 0 0 0 0 0 0 0 0 TIMING: 8900 CPU: 35.5678, 0.00399139/step Wall: 35.5678, 0.00399139/step, 0.544492 hours remaining, 106.570312 MB of memory in use. ENERGY: 8900 667.7581 1915.5332 2011.3639 103.7107 -15.3915 -1020.4678 162.2164 0.0000 2714.7958 6539.5188 299.8568 3824.7229 6571.5719 301.9852 PRESSURE: 9000 0 0 0 0 0 0 0 0 0 GPRESSURE: 9000 0 0 0 0 0 0 0 0 0 PRESSAVG: 9000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9000 0 0 0 0 0 0 0 0 0 TIMING: 9000 CPU: 35.9675, 0.0039974/step Wall: 35.9675, 0.0039974/step, 0.545201 hours remaining, 106.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 9000 674.1245 1877.3578 2016.0492 100.7048 -14.7507 -1054.3259 171.2332 0.0000 2724.7637 6495.1566 300.9577 3770.3929 6528.1051 301.4585 PRESSURE: 9100 0 0 0 0 0 0 0 0 0 GPRESSURE: 9100 0 0 0 0 0 0 0 0 0 PRESSAVG: 9100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9100 0 0 0 0 0 0 0 0 0 TIMING: 9100 CPU: 36.3664, 0.0039891/step Wall: 36.3664, 0.0039891/step, 0.543958 hours remaining, 106.570312 MB of memory in use. ENERGY: 9100 644.2107 1911.3441 1993.3308 105.7159 -14.4890 -1033.3780 151.1998 0.0000 2770.5125 6528.4467 306.0108 3757.9342 6559.8436 300.6498 PRESSURE: 9200 0 0 0 0 0 0 0 0 0 GPRESSURE: 9200 0 0 0 0 0 0 0 0 0 PRESSAVG: 9200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9200 0 0 0 0 0 0 0 0 0 TIMING: 9200 CPU: 36.7653, 0.00398852/step Wall: 36.7653, 0.00398852/step, 0.543768 hours remaining, 106.570312 MB of memory in use. ENERGY: 9200 654.0767 1928.3563 1977.5491 110.3337 -15.5622 -1033.0079 174.4701 0.0000 2713.2775 6509.4934 299.6891 3796.2159 6540.6546 301.1946 PRESSURE: 9300 0 0 0 0 0 0 0 0 0 GPRESSURE: 9300 0 0 0 0 0 0 0 0 0 PRESSAVG: 9300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9300 0 0 0 0 0 0 0 0 0 TIMING: 9300 CPU: 37.1652, 0.00399871/step Wall: 37.1652, 0.00399871/step, 0.545046 hours remaining, 106.570312 MB of memory in use. ENERGY: 9300 661.2474 1893.7429 2041.6456 111.2598 -15.6227 -1051.7572 179.4663 0.0000 2721.7666 6541.7486 300.6267 3819.9820 6574.9866 303.3471 PRESSURE: 9400 0 0 0 0 0 0 0 0 0 GPRESSURE: 9400 0 0 0 0 0 0 0 0 0 PRESSAVG: 9400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9400 0 0 0 0 0 0 0 0 0 TIMING: 9400 CPU: 37.5644, 0.00399235/step Wall: 37.5644, 0.00399235/step, 0.544069 hours remaining, 106.570312 MB of memory in use. ENERGY: 9400 671.1719 1884.2915 2008.8543 109.4267 -15.5886 -1037.8422 162.6719 0.0000 2766.2622 6549.2477 305.5414 3782.9855 6583.8718 303.7439 PRESSURE: 9500 0 0 0 0 0 0 0 0 0 GPRESSURE: 9500 0 0 0 0 0 0 0 0 0 PRESSAVG: 9500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9500 0 0 0 0 0 0 0 0 0 TIMING: 9500 CPU: 37.964, 0.00399625/step Wall: 37.964, 0.00399625/step, 0.544489 hours remaining, 106.570312 MB of memory in use. ENERGY: 9500 619.9716 1886.0876 2029.3964 102.9734 -15.2108 -1022.6652 164.7613 0.0000 2785.0310 6550.3452 307.6144 3765.3143 6583.5130 302.6918 PRESSURE: 9600 0 0 0 0 0 0 0 0 0 GPRESSURE: 9600 0 0 0 0 0 0 0 0 0 PRESSAVG: 9600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9600 0 0 0 0 0 0 0 0 0 TIMING: 9600 CPU: 38.363, 0.00398958/step Wall: 38.363, 0.00398958/step, 0.543469 hours remaining, 106.570312 MB of memory in use. ENERGY: 9600 641.9386 1894.0967 2034.8468 99.7874 -15.0208 -1037.4157 171.2278 0.0000 2727.0577 6516.5186 301.2111 3789.4609 6551.4021 303.2825 PRESSURE: 9700 0 0 0 0 0 0 0 0 0 GPRESSURE: 9700 0 0 0 0 0 0 0 0 0 PRESSAVG: 9700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9700 0 0 0 0 0 0 0 0 0 TIMING: 9700 CPU: 38.7617, 0.00398701/step Wall: 38.7617, 0.003987/step, 0.543007 hours remaining, 106.570312 MB of memory in use. ENERGY: 9700 663.6134 1928.7164 2039.8292 103.3338 -14.0608 -1071.2827 156.7174 0.0000 2704.3908 6511.2575 298.7075 3806.8666 6540.7205 301.9119 PRESSURE: 9800 0 0 0 0 0 0 0 0 0 GPRESSURE: 9800 0 0 0 0 0 0 0 0 0 PRESSAVG: 9800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9800 0 0 0 0 0 0 0 0 0 TIMING: 9800 CPU: 39.1616, 0.00399859/step Wall: 39.1616, 0.0039986/step, 0.544476 hours remaining, 106.570312 MB of memory in use. ENERGY: 9800 689.0223 1861.7954 2027.6392 107.8617 -15.7207 -1080.5587 160.1137 0.0000 2726.5503 6476.7032 301.1551 3750.1529 6512.3349 299.7316 PRESSURE: 9900 0 0 0 0 0 0 0 0 0 GPRESSURE: 9900 0 0 0 0 0 0 0 0 0 PRESSAVG: 9900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 9900 0 0 0 0 0 0 0 0 0 TIMING: 9900 CPU: 39.5607, 0.00399117/step Wall: 39.5607, 0.00399117/step, 0.543353 hours remaining, 106.570312 MB of memory in use. ENERGY: 9900 676.5799 1858.5704 2040.3844 95.9452 -15.1974 -1078.5591 160.8653 0.0000 2773.4237 6512.0124 306.3324 3738.5887 6548.4886 300.3019 PRESSURE: 10000 0 0 0 0 0 0 0 0 0 GPRESSURE: 10000 0 0 0 0 0 0 0 0 0 PRESSAVG: 10000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10000 0 0 0 0 0 0 0 0 0 TIMING: 10000 CPU: 39.961, 0.00400338/step Wall: 39.961, 0.00400338/step, 0.544904 hours remaining, 107.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 10000 644.9378 1856.3064 2021.9718 107.8705 -15.5905 -1054.8105 156.4672 0.0000 2758.4883 6475.6411 304.6827 3717.1528 6511.8451 300.3954 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10000 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 10000 WRITING COORDINATES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART COORDINATES The last position output (seq=10000) takes 0.016 seconds, 107.367 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=10000) takes 0.007 seconds, 107.414 MB of memory in use PRESSURE: 10100 0 0 0 0 0 0 0 0 0 GPRESSURE: 10100 0 0 0 0 0 0 0 0 0 PRESSAVG: 10100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10100 0 0 0 0 0 0 0 0 0 TIMING: 10100 CPU: 40.403, 0.00441969/step Wall: 40.403, 0.00441969/step, 0.601446 hours remaining, 107.414062 MB of memory in use. ENERGY: 10100 656.1210 1893.7647 2049.8836 95.9666 -15.2336 -1065.9155 165.5314 0.0000 2687.8770 6467.9954 296.8835 3780.1184 6501.0615 299.3771 PRESSURE: 10200 0 0 0 0 0 0 0 0 0 GPRESSURE: 10200 0 0 0 0 0 0 0 0 0 PRESSAVG: 10200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10200 0 0 0 0 0 0 0 0 0 TIMING: 10200 CPU: 40.8026, 0.00399669/step Wall: 40.8026, 0.00399669/step, 0.543772 hours remaining, 107.414062 MB of memory in use. ENERGY: 10200 621.8824 1885.4185 2012.8433 105.6327 -14.6991 -1020.8539 166.2735 0.0000 2660.1828 6416.6801 293.8246 3756.4973 6449.0087 297.1680 PRESSURE: 10300 0 0 0 0 0 0 0 0 0 GPRESSURE: 10300 0 0 0 0 0 0 0 0 0 PRESSAVG: 10300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10300 0 0 0 0 0 0 0 0 0 TIMING: 10300 CPU: 41.2034, 0.00400782/step Wall: 41.2034, 0.00400782/step, 0.545175 hours remaining, 107.414062 MB of memory in use. ENERGY: 10300 647.5175 1902.0264 2012.9382 95.4760 -16.1853 -1026.7500 154.8538 0.0000 2648.5466 6418.4231 292.5393 3769.8766 6449.7834 295.5283 PRESSURE: 10400 0 0 0 0 0 0 0 0 0 GPRESSURE: 10400 0 0 0 0 0 0 0 0 0 PRESSAVG: 10400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10400 0 0 0 0 0 0 0 0 0 TIMING: 10400 CPU: 41.6029, 0.00399522/step Wall: 41.6029, 0.00399522/step, 0.54335 hours remaining, 107.414062 MB of memory in use. ENERGY: 10400 632.7239 1879.2104 2016.3215 108.0190 -15.7434 -1069.3095 179.6003 0.0000 2734.6102 6465.4324 302.0453 3730.8222 6500.3223 298.2934 PRESSURE: 10500 0 0 0 0 0 0 0 0 0 GPRESSURE: 10500 0 0 0 0 0 0 0 0 0 PRESSAVG: 10500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10500 0 0 0 0 0 0 0 0 0 TIMING: 10500 CPU: 42.0026, 0.00399686/step Wall: 42.0026, 0.00399686/step, 0.543462 hours remaining, 107.414062 MB of memory in use. ENERGY: 10500 650.7718 1846.2628 2007.8055 102.3935 -15.1547 -998.3628 172.6635 0.0000 2704.9557 6471.3353 298.7699 3766.3796 6504.4595 299.3223 PRESSURE: 10600 0 0 0 0 0 0 0 0 0 GPRESSURE: 10600 0 0 0 0 0 0 0 0 0 PRESSAVG: 10600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10600 0 0 0 0 0 0 0 0 0 TIMING: 10600 CPU: 42.4017, 0.00399049/step Wall: 42.4017, 0.00399049/step, 0.542485 hours remaining, 107.417969 MB of memory in use. ENERGY: 10600 677.0626 1876.8045 2022.8993 101.6051 -15.0325 -1048.6846 172.0774 0.0000 2695.6064 6482.3383 297.7372 3786.7319 6514.6236 299.3094 PRESSURE: 10700 0 0 0 0 0 0 0 0 0 GPRESSURE: 10700 0 0 0 0 0 0 0 0 0 PRESSAVG: 10700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10700 0 0 0 0 0 0 0 0 0 TIMING: 10700 CPU: 42.8008, 0.00399081/step Wall: 42.8008, 0.0039908/step, 0.542416 hours remaining, 107.417969 MB of memory in use. ENERGY: 10700 628.5939 1914.6492 2018.2303 115.0658 -16.3128 -1042.6081 153.2576 0.0000 2751.9209 6522.7968 303.9573 3770.8759 6558.6832 300.7360 PRESSURE: 10800 0 0 0 0 0 0 0 0 0 GPRESSURE: 10800 0 0 0 0 0 0 0 0 0 PRESSAVG: 10800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10800 0 0 0 0 0 0 0 0 0 TIMING: 10800 CPU: 43.2006, 0.003998/step Wall: 43.2006, 0.00399801/step, 0.543285 hours remaining, 107.417969 MB of memory in use. ENERGY: 10800 671.3879 1861.3306 2045.8725 114.2448 -15.1842 -1069.2780 170.4833 0.0000 2703.9113 6482.7682 298.6545 3778.8569 6517.1543 299.7271 PRESSURE: 10900 0 0 0 0 0 0 0 0 0 GPRESSURE: 10900 0 0 0 0 0 0 0 0 0 PRESSAVG: 10900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10900 0 0 0 0 0 0 0 0 0 TIMING: 10900 CPU: 43.6001, 0.00399542/step Wall: 43.6001, 0.00399542/step, 0.542822 hours remaining, 107.417969 MB of memory in use. ENERGY: 10900 634.7827 1899.9108 2018.9662 109.7455 -14.7411 -1043.3558 162.6525 0.0000 2720.7336 6488.6944 300.5126 3767.9608 6523.2165 299.7794 PRESSURE: 11000 0 0 0 0 0 0 0 0 0 GPRESSURE: 11000 0 0 0 0 0 0 0 0 0 PRESSAVG: 11000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11000 0 0 0 0 0 0 0 0 0 TIMING: 11000 CPU: 44, 0.00399931/step Wall: 44, 0.00399931/step, 0.54324 hours remaining, 107.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 11000 659.7519 1817.4059 2070.4043 105.6017 -14.7252 -1042.5690 170.0121 0.0000 2702.0057 6467.8875 298.4441 3765.8818 6500.7219 299.2470 PRESSURE: 11100 0 0 0 0 0 0 0 0 0 GPRESSURE: 11100 0 0 0 0 0 0 0 0 0 PRESSAVG: 11100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11100 0 0 0 0 0 0 0 0 0 TIMING: 11100 CPU: 44.3989, 0.00398827/step Wall: 44.3989, 0.00398827/step, 0.541629 hours remaining, 107.417969 MB of memory in use. ENERGY: 11100 666.8564 1869.6102 2040.1345 105.4078 -14.9340 -1034.7443 169.8515 0.0000 2669.6585 6471.8406 294.8712 3802.1820 6502.8928 298.8284 PRESSURE: 11200 0 0 0 0 0 0 0 0 0 GPRESSURE: 11200 0 0 0 0 0 0 0 0 0 PRESSAVG: 11200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11200 0 0 0 0 0 0 0 0 0 TIMING: 11200 CPU: 44.7979, 0.00399063/step Wall: 44.7979, 0.00399063/step, 0.541839 hours remaining, 107.417969 MB of memory in use. ENERGY: 11200 622.4693 1849.4783 2026.0363 107.4282 -14.8219 -1019.4406 164.2347 0.0000 2716.2904 6451.6746 300.0218 3735.3842 6485.3715 298.0979 PRESSURE: 11300 0 0 0 0 0 0 0 0 0 GPRESSURE: 11300 0 0 0 0 0 0 0 0 0 PRESSAVG: 11300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11300 0 0 0 0 0 0 0 0 0 TIMING: 11300 CPU: 45.1976, 0.003997/step Wall: 45.1976, 0.003997/step, 0.542593 hours remaining, 107.417969 MB of memory in use. ENERGY: 11300 651.8684 1884.4318 2039.3662 100.5304 -13.8279 -1059.6474 186.3173 0.0000 2682.2415 6471.2803 296.2610 3789.0388 6500.4447 297.0762 PRESSURE: 11400 0 0 0 0 0 0 0 0 0 GPRESSURE: 11400 0 0 0 0 0 0 0 0 0 PRESSAVG: 11400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11400 0 0 0 0 0 0 0 0 0 TIMING: 11400 CPU: 45.5965, 0.00398898/step Wall: 45.5965, 0.00398898/step, 0.541393 hours remaining, 107.417969 MB of memory in use. ENERGY: 11400 649.7128 1861.6354 2033.0366 104.7260 -15.0790 -1035.3118 157.9496 0.0000 2705.8423 6462.5119 298.8678 3756.6696 6491.7322 298.8640 PRESSURE: 11500 0 0 0 0 0 0 0 0 0 GPRESSURE: 11500 0 0 0 0 0 0 0 0 0 PRESSAVG: 11500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11500 0 0 0 0 0 0 0 0 0 TIMING: 11500 CPU: 45.9967, 0.00400201/step Wall: 45.9967, 0.00400201/step, 0.543051 hours remaining, 107.417969 MB of memory in use. ENERGY: 11500 647.4342 1880.8084 2033.3382 101.2496 -15.5203 -1056.5110 158.3652 0.0000 2692.1724 6441.3365 297.3579 3749.1641 6472.6943 297.2907 PRESSURE: 11600 0 0 0 0 0 0 0 0 0 GPRESSURE: 11600 0 0 0 0 0 0 0 0 0 PRESSAVG: 11600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11600 0 0 0 0 0 0 0 0 0 TIMING: 11600 CPU: 46.3958, 0.00399123/step Wall: 46.3958, 0.00399123/step, 0.541477 hours remaining, 107.417969 MB of memory in use. ENERGY: 11600 648.7525 1886.2681 2023.5024 116.1345 -14.3170 -1086.7771 171.1838 0.0000 2685.2963 6430.0435 296.5985 3744.7471 6461.6099 298.1946 PRESSURE: 11700 0 0 0 0 0 0 0 0 0 GPRESSURE: 11700 0 0 0 0 0 0 0 0 0 PRESSAVG: 11700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11700 0 0 0 0 0 0 0 0 0 TIMING: 11700 CPU: 46.795, 0.00399141/step Wall: 46.795, 0.00399141/step, 0.54139 hours remaining, 107.417969 MB of memory in use. ENERGY: 11700 652.9157 1827.0505 2021.7810 111.9612 -14.4092 -1029.4784 158.4671 0.0000 2658.2530 6386.5410 293.6115 3728.2880 6417.5897 294.6198 PRESSURE: 11800 0 0 0 0 0 0 0 0 0 GPRESSURE: 11800 0 0 0 0 0 0 0 0 0 PRESSAVG: 11800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11800 0 0 0 0 0 0 0 0 0 TIMING: 11800 CPU: 47.195, 0.00399988/step Wall: 47.195, 0.00399988/step, 0.542428 hours remaining, 107.417969 MB of memory in use. ENERGY: 11800 619.7803 1804.0847 2012.9040 102.1457 -14.5325 -1038.9989 168.5587 0.0000 2721.9425 6375.8845 300.6461 3653.9420 6410.8758 293.6601 PRESSURE: 11900 0 0 0 0 0 0 0 0 0 GPRESSURE: 11900 0 0 0 0 0 0 0 0 0 PRESSAVG: 11900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11900 0 0 0 0 0 0 0 0 0 TIMING: 11900 CPU: 47.5941, 0.00399172/step Wall: 47.5941, 0.00399172/step, 0.54121 hours remaining, 107.417969 MB of memory in use. ENERGY: 11900 631.5599 1900.9558 2017.9153 107.4904 -15.2260 -1061.9627 168.7475 0.0000 2656.8083 6406.2885 293.4519 3749.4802 6440.6346 294.7675 PRESSURE: 12000 0 0 0 0 0 0 0 0 0 GPRESSURE: 12000 0 0 0 0 0 0 0 0 0 PRESSAVG: 12000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12000 0 0 0 0 0 0 0 0 0 TIMING: 12000 CPU: 47.994, 0.0039987/step Wall: 47.994, 0.0039987/step, 0.542046 hours remaining, 107.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 12000 642.5852 1915.9398 2022.3055 120.9393 -13.7282 -1068.6469 154.1792 0.0000 2630.7306 6404.3044 290.5715 3773.5738 6435.5954 294.6105 PRESSURE: 12100 0 0 0 0 0 0 0 0 0 GPRESSURE: 12100 0 0 0 0 0 0 0 0 0 PRESSAVG: 12100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12100 0 0 0 0 0 0 0 0 0 TIMING: 12100 CPU: 48.393, 0.00398954/step Wall: 48.393, 0.00398954/step, 0.540693 hours remaining, 107.417969 MB of memory in use. ENERGY: 12100 640.6894 1860.6308 2016.6083 129.8000 -14.4489 -1055.9935 164.4743 0.0000 2708.6871 6450.4476 299.1820 3741.7605 6484.1470 297.1190 PRESSURE: 12200 0 0 0 0 0 0 0 0 0 GPRESSURE: 12200 0 0 0 0 0 0 0 0 0 PRESSAVG: 12200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12200 0 0 0 0 0 0 0 0 0 TIMING: 12200 CPU: 48.7918, 0.00398825/step Wall: 48.7918, 0.00398825/step, 0.540408 hours remaining, 107.417969 MB of memory in use. ENERGY: 12200 630.3134 1843.6075 2021.8441 108.9132 -14.1119 -1005.6763 172.5080 0.0000 2674.6222 6432.0202 295.4195 3757.3980 6465.4537 297.5491 LDB: ============= START OF LOAD BALANCING ============== 51.5692 LDB: ============== END OF LOAD BALANCING =============== 51.5693 LDB: =============== DONE WITH MIGRATION ================ 51.5693 PRESSURE: 12300 0 0 0 0 0 0 0 0 0 GPRESSURE: 12300 0 0 0 0 0 0 0 0 0 PRESSAVG: 12300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12300 0 0 0 0 0 0 0 0 0 TIMING: 12300 CPU: 49.1918, 0.0039998/step Wall: 49.1918, 0.0039998/step, 0.541862 hours remaining, 107.417969 MB of memory in use. ENERGY: 12300 675.6544 1873.7837 2019.2513 102.0585 -14.3075 -1040.9167 155.0495 0.0000 2651.3732 6421.9464 292.8516 3770.5732 6454.6644 296.0596 LDB: ============= START OF LOAD BALANCING ============== 51.9693 LDB: ============== END OF LOAD BALANCING =============== 51.9693 LDB: =============== DONE WITH MIGRATION ================ 51.9694 PRESSURE: 12400 0 0 0 0 0 0 0 0 0 GPRESSURE: 12400 0 0 0 0 0 0 0 0 0 PRESSAVG: 12400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12400 0 0 0 0 0 0 0 0 0 TIMING: 12400 CPU: 49.5918, 0.00399977/step Wall: 49.5918, 0.00399977/step, 0.541747 hours remaining, 107.417969 MB of memory in use. ENERGY: 12400 655.3612 1840.2102 2032.1899 103.3831 -15.7270 -1071.9591 175.8310 0.0000 2663.0781 6382.3673 294.1444 3719.2892 6414.5705 293.9254 PRESSURE: 12500 0 0 0 0 0 0 0 0 0 GPRESSURE: 12500 0 0 0 0 0 0 0 0 0 PRESSAVG: 12500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12500 0 0 0 0 0 0 0 0 0 TIMING: 12500 CPU: 49.9988, 0.00406999/step Wall: 49.9988, 0.00406999/step, 0.551145 hours remaining, 107.464844 MB of memory in use. ENERGY: 12500 666.2282 1847.5831 2010.2437 94.1673 -14.8057 -1045.4313 171.2283 0.0000 2639.5370 6368.7505 291.5442 3729.2135 6398.6456 292.4466 PRESSURE: 12600 0 0 0 0 0 0 0 0 0 GPRESSURE: 12600 0 0 0 0 0 0 0 0 0 PRESSAVG: 12600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12600 0 0 0 0 0 0 0 0 0 TIMING: 12600 CPU: 50.403, 0.00404219/step Wall: 50.403, 0.00404219/step, 0.547267 hours remaining, 107.464844 MB of memory in use. ENERGY: 12600 609.8922 1870.0905 2028.4842 96.9989 -14.0627 -1033.9498 168.3183 0.0000 2694.5778 6420.3495 297.6236 3725.7717 6454.2900 294.3616 PRESSURE: 12700 0 0 0 0 0 0 0 0 0 GPRESSURE: 12700 0 0 0 0 0 0 0 0 0 PRESSAVG: 12700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12700 0 0 0 0 0 0 0 0 0 TIMING: 12700 CPU: 50.8021, 0.00399095/step Wall: 50.8021, 0.00399095/step, 0.54022 hours remaining, 107.464844 MB of memory in use. ENERGY: 12700 631.5004 1888.7718 2023.8842 107.7232 -15.0943 -1014.4218 172.1593 0.0000 2651.2608 6445.7835 292.8391 3794.5227 6478.5245 295.6728 PRESSURE: 12800 0 0 0 0 0 0 0 0 0 GPRESSURE: 12800 0 0 0 0 0 0 0 0 0 PRESSAVG: 12800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12800 0 0 0 0 0 0 0 0 0 TIMING: 12800 CPU: 51.2018, 0.00399739/step Wall: 51.2018, 0.00399739/step, 0.54098 hours remaining, 107.464844 MB of memory in use. ENERGY: 12800 668.3657 1851.6028 2013.0719 92.4971 -15.0506 -1063.1954 167.9717 0.0000 2715.0315 6430.2945 299.8828 3715.2630 6460.2500 296.3707 PRESSURE: 12900 0 0 0 0 0 0 0 0 0 GPRESSURE: 12900 0 0 0 0 0 0 0 0 0 PRESSAVG: 12900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12900 0 0 0 0 0 0 0 0 0 TIMING: 12900 CPU: 51.6009, 0.00399089/step Wall: 51.6009, 0.00399089/step, 0.539989 hours remaining, 107.464844 MB of memory in use. ENERGY: 12900 629.8132 1868.8011 2006.9184 106.3325 -14.4270 -1056.4672 153.5446 0.0000 2728.4496 6422.9651 301.3649 3694.5155 6458.1721 296.0400 PRESSURE: 13000 0 0 0 0 0 0 0 0 0 GPRESSURE: 13000 0 0 0 0 0 0 0 0 0 PRESSAVG: 13000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13000 0 0 0 0 0 0 0 0 0 TIMING: 13000 CPU: 52.0004, 0.00399476/step Wall: 52.0004, 0.00399475/step, 0.540401 hours remaining, 107.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 13000 619.5734 1874.9456 2011.2340 100.8198 -13.6595 -1020.5768 150.8827 0.0000 2689.6525 6412.8719 297.0796 3723.2194 6446.5325 295.5863 PRESSURE: 13100 0 0 0 0 0 0 0 0 0 GPRESSURE: 13100 0 0 0 0 0 0 0 0 0 PRESSAVG: 13100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13100 0 0 0 0 0 0 0 0 0 TIMING: 13100 CPU: 52.3992, 0.00398833/step Wall: 52.3992, 0.00398834/step, 0.539423 hours remaining, 107.464844 MB of memory in use. ENERGY: 13100 629.8195 1870.5096 2014.9343 85.7440 -15.9279 -1039.6608 161.9502 0.0000 2657.9759 6365.3449 293.5808 3707.3690 6398.5568 295.0483 PRESSURE: 13200 0 0 0 0 0 0 0 0 0 GPRESSURE: 13200 0 0 0 0 0 0 0 0 0 PRESSAVG: 13200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13200 0 0 0 0 0 0 0 0 0 TIMING: 13200 CPU: 52.798, 0.00398771/step Wall: 52.798, 0.00398771/step, 0.539227 hours remaining, 107.464844 MB of memory in use. ENERGY: 13200 621.2633 1895.4829 2027.5549 104.1023 -15.6648 -1068.5295 161.8125 0.0000 2661.9009 6387.9223 294.0144 3726.0215 6420.4989 292.6809 PRESSURE: 13300 0 0 0 0 0 0 0 0 0 GPRESSURE: 13300 0 0 0 0 0 0 0 0 0 PRESSAVG: 13300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13300 0 0 0 0 0 0 0 0 0 TIMING: 13300 CPU: 53.1977, 0.00399689/step Wall: 53.1977, 0.00399689/step, 0.540357 hours remaining, 107.464844 MB of memory in use. ENERGY: 13300 677.3993 1878.1582 2000.4014 102.8365 -14.0534 -1054.0150 155.9722 0.0000 2681.9938 6428.6931 296.2337 3746.6993 6457.6872 294.8476 PRESSURE: 13400 0 0 0 0 0 0 0 0 0 GPRESSURE: 13400 0 0 0 0 0 0 0 0 0 PRESSAVG: 13400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13400 0 0 0 0 0 0 0 0 0 TIMING: 13400 CPU: 53.5965, 0.00398866/step Wall: 53.5965, 0.00398866/step, 0.539134 hours remaining, 107.464844 MB of memory in use. ENERGY: 13400 632.1555 1898.5035 1999.9680 101.9756 -14.7680 -1070.6769 167.4535 0.0000 2718.6897 6433.3009 300.2868 3714.6113 6467.7214 297.0559 PRESSURE: 13500 0 0 0 0 0 0 0 0 0 GPRESSURE: 13500 0 0 0 0 0 0 0 0 0 PRESSAVG: 13500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13500 0 0 0 0 0 0 0 0 0 TIMING: 13500 CPU: 53.9961, 0.00399549/step Wall: 53.9961, 0.00399549/step, 0.539946 hours remaining, 107.464844 MB of memory in use. ENERGY: 13500 628.5042 1877.1878 2002.8039 96.1667 -15.4529 -1030.6551 181.4826 0.0000 2693.8041 6433.8413 297.5382 3740.0373 6466.4417 297.1116 PRESSURE: 13600 0 0 0 0 0 0 0 0 0 GPRESSURE: 13600 0 0 0 0 0 0 0 0 0 PRESSAVG: 13600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13600 0 0 0 0 0 0 0 0 0 TIMING: 13600 CPU: 54.3947, 0.00398621/step Wall: 54.3947, 0.00398621/step, 0.538581 hours remaining, 107.464844 MB of memory in use. ENERGY: 13600 664.0103 1858.4236 2034.6083 110.2755 -14.7961 -1090.0944 174.0813 0.0000 2672.9895 6409.4980 295.2391 3736.5085 6440.5266 296.0772 PRESSURE: 13700 0 0 0 0 0 0 0 0 0 GPRESSURE: 13700 0 0 0 0 0 0 0 0 0 PRESSAVG: 13700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13700 0 0 0 0 0 0 0 0 0 TIMING: 13700 CPU: 54.7936, 0.00398898/step Wall: 54.7936, 0.00398898/step, 0.538845 hours remaining, 107.464844 MB of memory in use. ENERGY: 13700 632.5262 1840.1325 2025.7256 89.7015 -14.3869 -1051.1368 170.0844 0.0000 2730.0882 6422.7346 301.5458 3692.6463 6455.5413 297.0894 PRESSURE: 13800 0 0 0 0 0 0 0 0 0 GPRESSURE: 13800 0 0 0 0 0 0 0 0 0 PRESSAVG: 13800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13800 0 0 0 0 0 0 0 0 0 TIMING: 13800 CPU: 55.1928, 0.00399166/step Wall: 55.1928, 0.00399166/step, 0.539096 hours remaining, 107.464844 MB of memory in use. ENERGY: 13800 634.5044 1844.5726 2024.9715 105.6930 -15.0950 -1016.2578 160.3008 0.0000 2694.5511 6433.2407 297.6207 3738.6895 6468.1351 294.6896 PRESSURE: 13900 0 0 0 0 0 0 0 0 0 GPRESSURE: 13900 0 0 0 0 0 0 0 0 0 PRESSAVG: 13900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13900 0 0 0 0 0 0 0 0 0 TIMING: 13900 CPU: 55.5914, 0.00398631/step Wall: 55.5914, 0.0039863/step, 0.538261 hours remaining, 107.464844 MB of memory in use. ENERGY: 13900 635.9536 1827.9131 2014.4684 104.6480 -14.6810 -1033.9452 172.7207 0.0000 2706.3016 6413.3793 298.9186 3707.0776 6446.3587 296.0079 PRESSURE: 14000 0 0 0 0 0 0 0 0 0 GPRESSURE: 14000 0 0 0 0 0 0 0 0 0 PRESSAVG: 14000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14000 0 0 0 0 0 0 0 0 0 TIMING: 14000 CPU: 55.9909, 0.00399527/step Wall: 55.9909, 0.00399528/step, 0.539363 hours remaining, 107.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 14000 646.0856 1898.2592 2003.2789 107.1890 -15.0454 -1032.0886 166.2494 0.0000 2663.0083 6436.9363 294.1367 3773.9281 6472.3199 297.0468 PRESSURE: 14100 0 0 0 0 0 0 0 0 0 GPRESSURE: 14100 0 0 0 0 0 0 0 0 0 PRESSAVG: 14100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14100 0 0 0 0 0 0 0 0 0 TIMING: 14100 CPU: 56.3896, 0.00398646/step Wall: 56.3896, 0.00398646/step, 0.538062 hours remaining, 107.464844 MB of memory in use. ENERGY: 14100 641.9005 1872.9437 2012.5892 113.6254 -14.7789 -1072.7219 169.2556 0.0000 2736.8148 6459.6284 302.2888 3722.8136 6493.2185 298.4692 PRESSURE: 14200 0 0 0 0 0 0 0 0 0 GPRESSURE: 14200 0 0 0 0 0 0 0 0 0 PRESSAVG: 14200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14200 0 0 0 0 0 0 0 0 0 TIMING: 14200 CPU: 56.788, 0.00398382/step Wall: 56.788, 0.00398382/step, 0.537594 hours remaining, 107.464844 MB of memory in use. ENERGY: 14200 626.1327 1886.7523 2045.5260 96.2005 -14.6130 -1054.5842 163.6748 0.0000 2745.4975 6494.5865 303.2479 3749.0890 6529.7050 299.3049 PRESSURE: 14300 0 0 0 0 0 0 0 0 0 GPRESSURE: 14300 0 0 0 0 0 0 0 0 0 PRESSAVG: 14300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14300 0 0 0 0 0 0 0 0 0 TIMING: 14300 CPU: 57.1876, 0.00399602/step Wall: 57.1876, 0.00399602/step, 0.53913 hours remaining, 107.464844 MB of memory in use. ENERGY: 14300 633.8341 1941.0868 2043.3956 108.3640 -13.2170 -1054.0697 162.4523 0.0000 2709.6217 6531.4677 299.2853 3821.8461 6562.7508 300.6087 PRESSURE: 14400 0 0 0 0 0 0 0 0 0 GPRESSURE: 14400 0 0 0 0 0 0 0 0 0 PRESSAVG: 14400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14400 0 0 0 0 0 0 0 0 0 TIMING: 14400 CPU: 57.5868, 0.00399273/step Wall: 57.5868, 0.00399273/step, 0.538575 hours remaining, 107.464844 MB of memory in use. ENERGY: 14400 662.4604 1914.3177 2033.6487 103.6238 -13.8103 -1074.5850 158.5186 0.0000 2724.8007 6508.9745 300.9618 3784.1738 6540.6438 300.8653 PRESSURE: 14500 0 0 0 0 0 0 0 0 0 GPRESSURE: 14500 0 0 0 0 0 0 0 0 0 PRESSAVG: 14500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14500 0 0 0 0 0 0 0 0 0 TIMING: 14500 CPU: 57.9866, 0.00399745/step Wall: 57.9866, 0.00399745/step, 0.539101 hours remaining, 107.464844 MB of memory in use. ENERGY: 14500 655.9683 1929.8023 2050.5675 107.3037 -14.4218 -1051.0098 167.2743 0.0000 2670.1303 6515.6149 294.9233 3845.4846 6548.0999 300.1300 PRESSURE: 14600 0 0 0 0 0 0 0 0 0 GPRESSURE: 14600 0 0 0 0 0 0 0 0 0 PRESSAVG: 14600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14600 0 0 0 0 0 0 0 0 0 TIMING: 14600 CPU: 58.3852, 0.00398603/step Wall: 58.3852, 0.00398603/step, 0.53745 hours remaining, 107.464844 MB of memory in use. ENERGY: 14600 644.4351 1828.8753 2049.8755 105.3211 -14.2144 -1039.6910 165.7619 0.0000 2739.5464 6479.9099 302.5905 3740.3635 6514.0270 299.8713 PRESSURE: 14700 0 0 0 0 0 0 0 0 0 GPRESSURE: 14700 0 0 0 0 0 0 0 0 0 PRESSAVG: 14700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14700 0 0 0 0 0 0 0 0 0 TIMING: 14700 CPU: 58.7838, 0.00398602/step Wall: 58.7838, 0.00398602/step, 0.537338 hours remaining, 107.464844 MB of memory in use. ENERGY: 14700 642.3369 1877.3106 2030.2459 110.1343 -15.3903 -1052.4166 164.8296 0.0000 2743.2868 6500.3371 303.0037 3757.0503 6534.2455 299.6266 PRESSURE: 14800 0 0 0 0 0 0 0 0 0 GPRESSURE: 14800 0 0 0 0 0 0 0 0 0 PRESSAVG: 14800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14800 0 0 0 0 0 0 0 0 0 TIMING: 14800 CPU: 59.1835, 0.00399685/step Wall: 59.1835, 0.00399685/step, 0.538686 hours remaining, 107.464844 MB of memory in use. ENERGY: 14800 652.9708 1885.6362 2049.0205 110.2885 -13.9032 -1062.3734 159.3495 0.0000 2763.7263 6544.7151 305.2613 3780.9888 6579.5981 302.2372 PRESSURE: 14900 0 0 0 0 0 0 0 0 0 GPRESSURE: 14900 0 0 0 0 0 0 0 0 0 PRESSAVG: 14900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14900 0 0 0 0 0 0 0 0 0 TIMING: 14900 CPU: 59.5825, 0.00399066/step Wall: 59.5825, 0.00399066/step, 0.537741 hours remaining, 107.464844 MB of memory in use. ENERGY: 14900 650.8277 1937.7560 2038.1617 97.6410 -15.5284 -1069.8531 172.1328 0.0000 2746.0685 6557.2063 303.3109 3811.1378 6591.8313 302.1374 PRESSURE: 15000 0 0 0 0 0 0 0 0 0 GPRESSURE: 15000 0 0 0 0 0 0 0 0 0 PRESSAVG: 15000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15000 0 0 0 0 0 0 0 0 0 TIMING: 15000 CPU: 60.0019, 0.00419376/step Wall: 60.0019, 0.00419376/step, 0.564993 hours remaining, 108.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 15000 670.0976 1911.7819 2036.1818 113.7454 -14.1963 -1058.4882 161.4892 0.0000 2739.8959 6560.5073 302.6291 3820.6113 6593.2280 302.7651 PRESSURE: 15100 0 0 0 0 0 0 0 0 0 GPRESSURE: 15100 0 0 0 0 0 0 0 0 0 PRESSAVG: 15100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15100 0 0 0 0 0 0 0 0 0 TIMING: 15100 CPU: 60.406, 0.00404049/step Wall: 60.406, 0.00404049/step, 0.544231 hours remaining, 108.765625 MB of memory in use. ENERGY: 15100 654.4595 1848.7402 2059.7582 102.8008 -13.8247 -1030.5055 150.9074 0.0000 2748.7698 6521.1058 303.6093 3772.3360 6556.4014 301.9286 PRESSURE: 15200 0 0 0 0 0 0 0 0 0 GPRESSURE: 15200 0 0 0 0 0 0 0 0 0 PRESSAVG: 15200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15200 0 0 0 0 0 0 0 0 0 TIMING: 15200 CPU: 60.8046, 0.00398678/step Wall: 60.8046, 0.00398678/step, 0.536886 hours remaining, 108.765625 MB of memory in use. ENERGY: 15200 651.6035 1913.1133 2049.9248 102.8689 -14.5017 -1025.5358 165.9175 0.0000 2703.4683 6546.8588 298.6056 3843.3905 6579.6904 300.5683 PRESSURE: 15300 0 0 0 0 0 0 0 0 0 GPRESSURE: 15300 0 0 0 0 0 0 0 0 0 PRESSAVG: 15300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15300 0 0 0 0 0 0 0 0 0 TIMING: 15300 CPU: 61.2044, 0.00399803/step Wall: 61.2044, 0.00399803/step, 0.53829 hours remaining, 108.765625 MB of memory in use. ENERGY: 15300 626.1870 1855.1353 2032.6158 111.9317 -14.4356 -1016.6706 161.9916 0.0000 2744.4597 6501.2148 303.1332 3756.7551 6535.9035 301.0080 PRESSURE: 15400 0 0 0 0 0 0 0 0 0 GPRESSURE: 15400 0 0 0 0 0 0 0 0 0 PRESSAVG: 15400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15400 0 0 0 0 0 0 0 0 0 TIMING: 15400 CPU: 61.6028, 0.0039836/step Wall: 61.6028, 0.0039836/step, 0.536237 hours remaining, 108.765625 MB of memory in use. ENERGY: 15400 645.2142 1891.7340 2033.2800 101.6958 -14.9618 -1044.9711 153.2463 0.0000 2688.4027 6453.6400 296.9416 3765.2373 6486.2134 298.8383 PRESSURE: 15500 0 0 0 0 0 0 0 0 0 GPRESSURE: 15500 0 0 0 0 0 0 0 0 0 PRESSAVG: 15500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15500 0 0 0 0 0 0 0 0 0 TIMING: 15500 CPU: 62.0014, 0.00398633/step Wall: 62.0014, 0.00398633/step, 0.536494 hours remaining, 108.765625 MB of memory in use. ENERGY: 15500 649.0917 1858.8457 2030.4119 104.0552 -14.9074 -1031.2255 162.7858 0.0000 2664.0856 6423.1430 294.2557 3759.0574 6454.8248 298.1430 PRESSURE: 15600 0 0 0 0 0 0 0 0 0 GPRESSURE: 15600 0 0 0 0 0 0 0 0 0 PRESSAVG: 15600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15600 0 0 0 0 0 0 0 0 0 TIMING: 15600 CPU: 62.3994, 0.00397988/step Wall: 62.3994, 0.00397988/step, 0.535515 hours remaining, 108.765625 MB of memory in use. ENERGY: 15600 654.4948 1867.1696 2013.7069 108.2252 -14.5157 -1012.4975 161.3780 0.0000 2626.4609 6404.4222 290.0999 3777.9613 6435.7664 295.9083 PRESSURE: 15700 0 0 0 0 0 0 0 0 0 GPRESSURE: 15700 0 0 0 0 0 0 0 0 0 PRESSAVG: 15700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15700 0 0 0 0 0 0 0 0 0 TIMING: 15700 CPU: 62.7973, 0.00397911/step Wall: 62.7973, 0.00397911/step, 0.535301 hours remaining, 108.765625 MB of memory in use. ENERGY: 15700 683.4716 1834.8939 2046.2442 110.7046 -15.2513 -1045.2888 156.6422 0.0000 2668.8269 6440.2433 294.7794 3771.4164 6471.4045 295.0154 PRESSURE: 15800 0 0 0 0 0 0 0 0 0 GPRESSURE: 15800 0 0 0 0 0 0 0 0 0 PRESSAVG: 15800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15800 0 0 0 0 0 0 0 0 0 TIMING: 15800 CPU: 63.1963, 0.00399002/step Wall: 63.1963, 0.00399002/step, 0.536658 hours remaining, 108.765625 MB of memory in use. ENERGY: 15800 665.3351 1881.3777 2019.9883 104.0206 -15.9580 -1052.7777 166.2760 0.0000 2667.7540 6436.0159 294.6609 3768.2620 6469.2930 297.4872 PRESSURE: 15900 0 0 0 0 0 0 0 0 0 GPRESSURE: 15900 0 0 0 0 0 0 0 0 0 PRESSAVG: 15900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15900 0 0 0 0 0 0 0 0 0 TIMING: 15900 CPU: 63.5943, 0.00397994/step Wall: 63.5943, 0.00397994/step, 0.535191 hours remaining, 108.765625 MB of memory in use. ENERGY: 15900 652.2399 1911.2989 1999.5830 114.1634 -16.1677 -1025.7906 154.2339 0.0000 2678.1617 6467.7225 295.8104 3789.5609 6496.6473 297.3129 PRESSURE: 16000 0 0 0 0 0 0 0 0 0 GPRESSURE: 16000 0 0 0 0 0 0 0 0 0 PRESSAVG: 16000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16000 0 0 0 0 0 0 0 0 0 TIMING: 16000 CPU: 63.9931, 0.00398783/step Wall: 63.9931, 0.00398783/step, 0.536142 hours remaining, 108.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 16000 627.7955 1862.9862 2040.3574 104.3199 -15.7106 -1057.4315 169.9870 0.0000 2701.0332 6433.3371 298.3366 3732.3039 6465.0432 296.9564 PRESSURE: 16100 0 0 0 0 0 0 0 0 0 GPRESSURE: 16100 0 0 0 0 0 0 0 0 0 PRESSAVG: 16100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16100 0 0 0 0 0 0 0 0 0 TIMING: 16100 CPU: 64.3909, 0.00397784/step Wall: 64.3909, 0.00397784/step, 0.534688 hours remaining, 108.765625 MB of memory in use. ENERGY: 16100 667.0127 1874.6623 2033.7475 104.8214 -14.7963 -1081.8969 164.0613 0.0000 2681.0849 6428.6969 296.1333 3747.6120 6461.2706 297.6539 PRESSURE: 16200 0 0 0 0 0 0 0 0 0 GPRESSURE: 16200 0 0 0 0 0 0 0 0 0 PRESSAVG: 16200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16200 0 0 0 0 0 0 0 0 0 TIMING: 16200 CPU: 64.7886, 0.00397664/step Wall: 64.7886, 0.00397663/step, 0.534415 hours remaining, 108.765625 MB of memory in use. ENERGY: 16200 640.4761 1810.6216 2027.3302 106.6496 -15.6999 -1009.0845 154.3613 0.0000 2671.8883 6386.5428 295.1175 3714.6545 6418.8201 296.1945 LDB: ============= START OF LOAD BALANCING ============== 67.5647 LDB: ============== END OF LOAD BALANCING =============== 67.5648 LDB: =============== DONE WITH MIGRATION ================ 67.5649 PRESSURE: 16300 0 0 0 0 0 0 0 0 0 GPRESSURE: 16300 0 0 0 0 0 0 0 0 0 PRESSAVG: 16300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16300 0 0 0 0 0 0 0 0 0 TIMING: 16300 CPU: 65.1873, 0.00398745/step Wall: 65.1873, 0.00398746/step, 0.53576 hours remaining, 108.765625 MB of memory in use. ENERGY: 16300 653.9945 1830.3933 2009.5071 107.4629 -14.5721 -1049.5141 162.8911 0.0000 2674.3917 6374.5545 295.3940 3700.1628 6406.6419 293.5745 LDB: ============= START OF LOAD BALANCING ============== 67.9635 LDB: ============== END OF LOAD BALANCING =============== 67.9635 LDB: =============== DONE WITH MIGRATION ================ 67.9636 PRESSURE: 16400 0 0 0 0 0 0 0 0 0 GPRESSURE: 16400 0 0 0 0 0 0 0 0 0 PRESSAVG: 16400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16400 0 0 0 0 0 0 0 0 0 TIMING: 16400 CPU: 65.586, 0.00398669/step Wall: 65.586, 0.00398669/step, 0.535545 hours remaining, 108.765625 MB of memory in use. ENERGY: 16400 666.5425 1895.7380 2013.5578 103.9752 -14.9259 -1058.1771 164.1186 0.0000 2605.3189 6376.1481 287.7647 3770.8292 6407.1708 294.5795 PRESSURE: 16500 0 0 0 0 0 0 0 0 0 GPRESSURE: 16500 0 0 0 0 0 0 0 0 0 PRESSAVG: 16500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16500 0 0 0 0 0 0 0 0 0 TIMING: 16500 CPU: 65.9847, 0.0039871/step Wall: 65.9847, 0.0039871/step, 0.53549 hours remaining, 108.765625 MB of memory in use. ENERGY: 16500 670.2254 1858.8282 2019.0791 116.1355 -15.5918 -1077.2100 169.3998 0.0000 2661.3913 6402.2575 293.9581 3740.8662 6434.0114 294.1217 PRESSURE: 16600 0 0 0 0 0 0 0 0 0 GPRESSURE: 16600 0 0 0 0 0 0 0 0 0 PRESSAVG: 16600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16600 0 0 0 0 0 0 0 0 0 TIMING: 16600 CPU: 66.3826, 0.0039793/step Wall: 66.3826, 0.0039793/step, 0.534332 hours remaining, 108.765625 MB of memory in use. ENERGY: 16600 634.3544 1869.0578 1984.5607 109.0170 -14.4426 -1036.3779 173.7133 0.0000 2658.0689 6377.9517 293.5911 3719.8827 6410.2771 293.7188 PRESSURE: 16700 0 0 0 0 0 0 0 0 0 GPRESSURE: 16700 0 0 0 0 0 0 0 0 0 PRESSAVG: 16700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16700 0 0 0 0 0 0 0 0 0 TIMING: 16700 CPU: 66.7805, 0.00397852/step Wall: 66.7805, 0.00397852/step, 0.534116 hours remaining, 108.765625 MB of memory in use. ENERGY: 16700 667.0879 1890.2559 1979.8228 86.8139 -14.9029 -1057.2450 172.5065 0.0000 2664.5402 6388.8795 294.3059 3724.3392 6418.9727 294.4672 PRESSURE: 16800 0 0 0 0 0 0 0 0 0 GPRESSURE: 16800 0 0 0 0 0 0 0 0 0 PRESSAVG: 16800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16800 0 0 0 0 0 0 0 0 0 TIMING: 16800 CPU: 67.179, 0.00398563/step Wall: 67.179, 0.00398563/step, 0.53496 hours remaining, 108.765625 MB of memory in use. ENERGY: 16800 646.7552 1858.4333 2023.3920 106.1143 -14.1667 -1040.1973 177.2689 0.0000 2658.9381 6416.5377 293.6871 3757.5996 6451.3536 295.2203 PRESSURE: 16900 0 0 0 0 0 0 0 0 0 GPRESSURE: 16900 0 0 0 0 0 0 0 0 0 PRESSAVG: 16900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 16900 0 0 0 0 0 0 0 0 0 TIMING: 16900 CPU: 67.5767, 0.00397711/step Wall: 67.5767, 0.00397711/step, 0.533706 hours remaining, 108.765625 MB of memory in use. ENERGY: 16900 626.0324 1925.7196 2019.5924 100.3503 -15.1095 -1028.3449 158.9528 0.0000 2657.2422 6444.4353 293.4998 3787.1931 6477.5184 295.2014 PRESSURE: 17000 0 0 0 0 0 0 0 0 0 GPRESSURE: 17000 0 0 0 0 0 0 0 0 0 PRESSAVG: 17000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17000 0 0 0 0 0 0 0 0 0 TIMING: 17000 CPU: 67.9757, 0.00398975/step Wall: 67.9757, 0.00398975/step, 0.535292 hours remaining, 108.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 17000 660.4091 1841.7548 2017.3960 104.6959 -14.1431 -1034.7000 186.9733 0.0000 2672.2686 6434.6546 295.1595 3762.3860 6467.4667 297.9324 PRESSURE: 17100 0 0 0 0 0 0 0 0 0 GPRESSURE: 17100 0 0 0 0 0 0 0 0 0 PRESSAVG: 17100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17100 0 0 0 0 0 0 0 0 0 TIMING: 17100 CPU: 68.3735, 0.00397759/step Wall: 68.3735, 0.00397759/step, 0.533549 hours remaining, 108.765625 MB of memory in use. ENERGY: 17100 640.8458 1862.7544 2013.8203 112.2614 -15.5050 -1047.0366 159.6927 0.0000 2681.6719 6408.5048 296.1981 3726.8329 6440.5366 296.4201 PRESSURE: 17200 0 0 0 0 0 0 0 0 0 GPRESSURE: 17200 0 0 0 0 0 0 0 0 0 PRESSAVG: 17200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17200 0 0 0 0 0 0 0 0 0 TIMING: 17200 CPU: 68.7716, 0.00398116/step Wall: 68.7716, 0.00398116/step, 0.533918 hours remaining, 108.765625 MB of memory in use. ENERGY: 17200 654.4360 1831.3528 2012.4074 109.0977 -15.2437 -1031.4339 169.4314 0.0000 2718.3422 6448.3899 300.2485 3730.0477 6480.0452 296.9790 PRESSURE: 17300 0 0 0 0 0 0 0 0 0 GPRESSURE: 17300 0 0 0 0 0 0 0 0 0 PRESSAVG: 17300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17300 0 0 0 0 0 0 0 0 0 TIMING: 17300 CPU: 69.1702, 0.0039866/step Wall: 69.1702, 0.00398659/step, 0.534535 hours remaining, 108.765625 MB of memory in use. ENERGY: 17300 652.5119 1885.6864 2017.5989 95.1064 -15.6764 -1039.1588 175.9215 0.0000 2689.8420 6461.8319 297.1005 3771.9899 6490.6274 299.3352 PRESSURE: 17400 0 0 0 0 0 0 0 0 0 GPRESSURE: 17400 0 0 0 0 0 0 0 0 0 PRESSAVG: 17400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17400 0 0 0 0 0 0 0 0 0 TIMING: 17400 CPU: 69.5682, 0.00397909/step Wall: 69.5682, 0.0039791/step, 0.533421 hours remaining, 108.765625 MB of memory in use. ENERGY: 17400 650.9072 1858.9343 2013.6855 99.1096 -14.8656 -1021.9254 177.8687 0.0000 2708.8996 6472.6138 299.2055 3763.7142 6505.0091 297.9799 PRESSURE: 17500 0 0 0 0 0 0 0 0 0 GPRESSURE: 17500 0 0 0 0 0 0 0 0 0 PRESSAVG: 17500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17500 0 0 0 0 0 0 0 0 0 TIMING: 17500 CPU: 69.973, 0.00404889/step Wall: 69.973, 0.00404889/step, 0.542664 hours remaining, 109.406250 MB of memory in use. ENERGY: 17500 624.6217 1876.3861 2006.8631 110.5936 -15.6075 -1012.0826 154.9303 0.0000 2743.4333 6489.1381 303.0199 3745.7047 6521.6598 298.4700 PRESSURE: 17600 0 0 0 0 0 0 0 0 0 GPRESSURE: 17600 0 0 0 0 0 0 0 0 0 PRESSAVG: 17600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17600 0 0 0 0 0 0 0 0 0 TIMING: 17600 CPU: 70.3708, 0.00397719/step Wall: 70.3708, 0.00397719/step, 0.532944 hours remaining, 109.406250 MB of memory in use. ENERGY: 17600 665.1293 1853.7370 2033.6904 96.1118 -15.6638 -1016.4000 165.3106 0.0000 2746.5957 6528.5111 303.3691 3781.9154 6560.3345 300.9485 PRESSURE: 17700 0 0 0 0 0 0 0 0 0 GPRESSURE: 17700 0 0 0 0 0 0 0 0 0 PRESSAVG: 17700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17700 0 0 0 0 0 0 0 0 0 TIMING: 17700 CPU: 70.7709, 0.00400125/step Wall: 70.7709, 0.00400125/step, 0.536056 hours remaining, 109.406250 MB of memory in use. ENERGY: 17700 696.9478 1840.4524 2038.1566 108.3167 -15.2292 -1027.2977 174.7889 0.0000 2727.0674 6543.2031 301.2122 3816.1357 6578.4448 303.4630 PRESSURE: 17800 0 0 0 0 0 0 0 0 0 GPRESSURE: 17800 0 0 0 0 0 0 0 0 0 PRESSAVG: 17800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17800 0 0 0 0 0 0 0 0 0 TIMING: 17800 CPU: 71.1723, 0.00401463/step Wall: 71.1723, 0.00401463/step, 0.537737 hours remaining, 109.406250 MB of memory in use. ENERGY: 17800 680.9681 1903.6630 2013.2121 104.0802 -15.1175 -1048.1575 168.3021 0.0000 2714.4847 6521.4351 299.8224 3806.9504 6554.1370 302.3122 PRESSURE: 17900 0 0 0 0 0 0 0 0 0 GPRESSURE: 17900 0 0 0 0 0 0 0 0 0 PRESSAVG: 17900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17900 0 0 0 0 0 0 0 0 0 TIMING: 17900 CPU: 71.5703, 0.00397906/step Wall: 71.5703, 0.00397906/step, 0.532862 hours remaining, 109.406250 MB of memory in use. ENERGY: 17900 662.0788 1877.1892 2029.5707 101.6430 -15.7588 -1035.6836 162.0523 0.0000 2735.8398 6516.9313 302.1811 3781.0915 6552.9315 302.1853 PRESSURE: 18000 0 0 0 0 0 0 0 0 0 GPRESSURE: 18000 0 0 0 0 0 0 0 0 0 PRESSAVG: 18000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18000 0 0 0 0 0 0 0 0 0 TIMING: 18000 CPU: 71.9685, 0.00398263/step Wall: 71.9685, 0.00398263/step, 0.53323 hours remaining, 109.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 18000 667.9407 1882.2622 2056.9329 106.6100 -15.2934 -1029.5486 166.9958 0.0000 2705.2713 6541.1709 298.8047 3835.8996 6573.1869 300.9186 PRESSURE: 18100 0 0 0 0 0 0 0 0 0 GPRESSURE: 18100 0 0 0 0 0 0 0 0 0 PRESSAVG: 18100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18100 0 0 0 0 0 0 0 0 0 TIMING: 18100 CPU: 72.3659, 0.00397418/step Wall: 72.3659, 0.00397418/step, 0.531988 hours remaining, 109.406250 MB of memory in use. ENERGY: 18100 682.1555 1867.7955 2043.8365 109.3523 -15.0309 -1058.0864 188.3987 0.0000 2726.2412 6544.6623 301.1209 3818.4211 6573.5726 303.4080 PRESSURE: 18200 0 0 0 0 0 0 0 0 0 GPRESSURE: 18200 0 0 0 0 0 0 0 0 0 PRESSAVG: 18200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18200 0 0 0 0 0 0 0 0 0 TIMING: 18200 CPU: 72.7631, 0.0039713/step Wall: 72.7631, 0.0039713/step, 0.531492 hours remaining, 109.406250 MB of memory in use. ENERGY: 18200 675.7913 1848.4650 2041.4728 113.6971 -13.9474 -1029.3439 168.1721 0.0000 2737.8348 6542.1419 302.4015 3804.3071 6578.0408 302.3800 PRESSURE: 18300 0 0 0 0 0 0 0 0 0 GPRESSURE: 18300 0 0 0 0 0 0 0 0 0 PRESSAVG: 18300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18300 0 0 0 0 0 0 0 0 0 TIMING: 18300 CPU: 73.1609, 0.00397817/step Wall: 73.1609, 0.00397817/step, 0.532301 hours remaining, 109.406250 MB of memory in use. ENERGY: 18300 649.8945 1876.5832 2036.1408 108.3636 -15.5858 -1055.1069 168.3205 0.0000 2737.4526 6506.0623 302.3593 3768.6098 6538.3653 301.6452 PRESSURE: 18400 0 0 0 0 0 0 0 0 0 GPRESSURE: 18400 0 0 0 0 0 0 0 0 0 PRESSAVG: 18400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18400 0 0 0 0 0 0 0 0 0 TIMING: 18400 CPU: 73.5583, 0.00397429/step Wall: 73.5583, 0.00397429/step, 0.531672 hours remaining, 109.406250 MB of memory in use. ENERGY: 18400 688.2337 1840.2359 2002.1184 95.1799 -14.6236 -1029.8997 164.1388 0.0000 2701.1381 6446.5217 298.3482 3745.3836 6480.4677 299.5238 PRESSURE: 18500 0 0 0 0 0 0 0 0 0 GPRESSURE: 18500 0 0 0 0 0 0 0 0 0 PRESSAVG: 18500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18500 0 0 0 0 0 0 0 0 0 TIMING: 18500 CPU: 73.9563, 0.00397997/step Wall: 73.9563, 0.00397997/step, 0.532321 hours remaining, 109.406250 MB of memory in use. ENERGY: 18500 660.8000 1840.9489 2022.1062 109.3981 -15.0996 -1029.0551 157.1187 0.0000 2738.3509 6484.5680 302.4585 3746.2171 6518.0244 298.7818 PRESSURE: 18600 0 0 0 0 0 0 0 0 0 GPRESSURE: 18600 0 0 0 0 0 0 0 0 0 PRESSAVG: 18600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18600 0 0 0 0 0 0 0 0 0 TIMING: 18600 CPU: 74.3536, 0.00397281/step Wall: 74.3536, 0.00397281/step, 0.531253 hours remaining, 109.406250 MB of memory in use. ENERGY: 18600 617.1318 1883.0160 2027.3759 102.7485 -14.9146 -1041.6891 173.4443 0.0000 2707.2972 6454.4100 299.0285 3747.1128 6486.9386 298.8895 PRESSURE: 18700 0 0 0 0 0 0 0 0 0 GPRESSURE: 18700 0 0 0 0 0 0 0 0 0 PRESSAVG: 18700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18700 0 0 0 0 0 0 0 0 0 TIMING: 18700 CPU: 74.7506, 0.00396992/step Wall: 74.7506, 0.00396992/step, 0.530757 hours remaining, 109.406250 MB of memory in use. ENERGY: 18700 624.5751 1875.3732 2036.4511 114.4071 -15.4789 -1033.3116 166.0527 0.0000 2656.0366 6424.1053 293.3666 3768.0687 6454.7446 296.2353 PRESSURE: 18800 0 0 0 0 0 0 0 0 0 GPRESSURE: 18800 0 0 0 0 0 0 0 0 0 PRESSAVG: 18800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18800 0 0 0 0 0 0 0 0 0 TIMING: 18800 CPU: 75.1482, 0.00397627/step Wall: 75.1482, 0.00397627/step, 0.531495 hours remaining, 109.406250 MB of memory in use. ENERGY: 18800 645.8185 1868.0496 2040.0181 122.1985 -15.9300 -1049.3516 162.4002 0.0000 2660.3488 6433.5521 293.8429 3773.2033 6462.6968 297.7784 PRESSURE: 18900 0 0 0 0 0 0 0 0 0 GPRESSURE: 18900 0 0 0 0 0 0 0 0 0 PRESSAVG: 18900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 18900 0 0 0 0 0 0 0 0 0 TIMING: 18900 CPU: 75.5452, 0.00396954/step Wall: 75.5452, 0.00396954/step, 0.530485 hours remaining, 109.406250 MB of memory in use. ENERGY: 18900 651.5443 1886.2550 2029.2348 113.9726 -14.5026 -1060.8746 172.0225 0.0000 2712.8827 6490.5347 299.6455 3777.6520 6521.8851 297.4725 PRESSURE: 19000 0 0 0 0 0 0 0 0 0 GPRESSURE: 19000 0 0 0 0 0 0 0 0 0 PRESSAVG: 19000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19000 0 0 0 0 0 0 0 0 0 TIMING: 19000 CPU: 75.9428, 0.0039762/step Wall: 75.9428, 0.0039762/step, 0.531264 hours remaining, 109.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 19000 622.1858 1842.5710 2046.3107 106.7027 -15.3719 -1022.7796 176.6014 0.0000 2742.0244 6498.2443 302.8642 3756.2200 6532.1599 299.4451 PRESSURE: 19100 0 0 0 0 0 0 0 0 0 GPRESSURE: 19100 0 0 0 0 0 0 0 0 0 PRESSAVG: 19100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19100 0 0 0 0 0 0 0 0 0 TIMING: 19100 CPU: 76.3409, 0.00398074/step Wall: 76.3409, 0.00398074/step, 0.53176 hours remaining, 109.406250 MB of memory in use. ENERGY: 19100 658.3191 1886.3942 2044.2942 117.2118 -13.3441 -1034.5351 157.8714 0.0000 2702.9575 6519.1691 298.5492 3816.2117 6552.1169 299.5360 PRESSURE: 19200 0 0 0 0 0 0 0 0 0 GPRESSURE: 19200 0 0 0 0 0 0 0 0 0 PRESSAVG: 19200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19200 0 0 0 0 0 0 0 0 0 TIMING: 19200 CPU: 76.7665, 0.00425644/step Wall: 76.7665, 0.00425644/step, 0.568471 hours remaining, 109.406250 MB of memory in use. ENERGY: 19200 617.5295 1870.1402 2020.4372 97.3262 -15.4017 -1022.9971 161.2569 0.0000 2758.4368 6486.7281 304.6770 3728.2913 6522.9786 298.6608 PRESSURE: 19300 0 0 0 0 0 0 0 0 0 GPRESSURE: 19300 0 0 0 0 0 0 0 0 0 PRESSAVG: 19300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19300 0 0 0 0 0 0 0 0 0 TIMING: 19300 CPU: 77.1639, 0.00397425/step Wall: 77.1639, 0.00397425/step, 0.530673 hours remaining, 109.406250 MB of memory in use. ENERGY: 19300 630.9957 1866.8324 2004.8394 113.8208 -13.3741 -1033.4305 173.0004 0.0000 2706.4456 6449.1297 298.9345 3742.6841 6481.4367 299.7267 PRESSURE: 19400 0 0 0 0 0 0 0 0 0 GPRESSURE: 19400 0 0 0 0 0 0 0 0 0 PRESSAVG: 19400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19400 0 0 0 0 0 0 0 0 0 TIMING: 19400 CPU: 77.5616, 0.00397649/step Wall: 77.5616, 0.00397649/step, 0.530861 hours remaining, 109.406250 MB of memory in use. ENERGY: 19400 628.7748 1844.3126 2039.6200 100.5708 -13.4589 -997.2418 161.5152 0.0000 2679.7122 6443.8050 295.9817 3764.0928 6475.3105 296.5005 PRESSURE: 19500 0 0 0 0 0 0 0 0 0 GPRESSURE: 19500 0 0 0 0 0 0 0 0 0 PRESSAVG: 19500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19500 0 0 0 0 0 0 0 0 0 TIMING: 19500 CPU: 77.9588, 0.003972/step Wall: 77.9588, 0.003972/step, 0.530151 hours remaining, 109.406250 MB of memory in use. ENERGY: 19500 635.3231 1837.4289 2014.0339 104.6081 -12.9027 -1028.1454 176.9773 0.0000 2679.9592 6407.2825 296.0090 3727.3233 6439.2080 295.9136 PRESSURE: 19600 0 0 0 0 0 0 0 0 0 GPRESSURE: 19600 0 0 0 0 0 0 0 0 0 PRESSAVG: 19600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19600 0 0 0 0 0 0 0 0 0 TIMING: 19600 CPU: 78.356, 0.00397251/step Wall: 78.356, 0.00397251/step, 0.53011 hours remaining, 109.406250 MB of memory in use. ENERGY: 19600 629.9910 1855.8713 2013.2802 110.3369 -14.4303 -1035.3553 161.6859 0.0000 2659.7310 6381.1107 293.7747 3721.3797 6415.8164 295.0797 PRESSURE: 19700 0 0 0 0 0 0 0 0 0 GPRESSURE: 19700 0 0 0 0 0 0 0 0 0 PRESSAVG: 19700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19700 0 0 0 0 0 0 0 0 0 TIMING: 19700 CPU: 78.7534, 0.00397419/step Wall: 78.7534, 0.00397419/step, 0.530223 hours remaining, 109.406250 MB of memory in use. ENERGY: 19700 614.7359 1859.1473 2026.6478 99.8152 -13.6278 -1038.2147 166.8525 0.0000 2680.9213 6396.2776 296.1152 3715.3563 6431.2823 294.6300 PRESSURE: 19800 0 0 0 0 0 0 0 0 0 GPRESSURE: 19800 0 0 0 0 0 0 0 0 0 PRESSAVG: 19800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19800 0 0 0 0 0 0 0 0 0 TIMING: 19800 CPU: 79.1509, 0.00397485/step Wall: 79.1509, 0.00397485/step, 0.530201 hours remaining, 109.406250 MB of memory in use. ENERGY: 19800 651.8890 1842.8326 2018.6195 90.2971 -13.7181 -1033.6294 181.3130 0.0000 2651.1298 6388.7335 292.8247 3737.6036 6422.0704 294.2166 PRESSURE: 19900 0 0 0 0 0 0 0 0 0 GPRESSURE: 19900 0 0 0 0 0 0 0 0 0 PRESSAVG: 19900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 19900 0 0 0 0 0 0 0 0 0 TIMING: 19900 CPU: 79.5481, 0.00397172/step Wall: 79.5481, 0.00397172/step, 0.529673 hours remaining, 109.406250 MB of memory in use. ENERGY: 19900 626.8127 1887.0723 2035.5126 100.1592 -14.7040 -1028.0720 167.7930 0.0000 2648.6610 6423.2348 292.5520 3774.5738 6455.1436 294.8953 PRESSURE: 20000 0 0 0 0 0 0 0 0 0 GPRESSURE: 20000 0 0 0 0 0 0 0 0 0 PRESSAVG: 20000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20000 0 0 0 0 0 0 0 0 0 TIMING: 20000 CPU: 79.9452, 0.00397059/step Wall: 79.9452, 0.00397059/step, 0.529412 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 20000 634.5985 1943.9518 2027.2580 92.9586 -14.3302 -1074.9678 169.1372 0.0000 2635.4353 6414.0413 291.0912 3778.6060 6445.7677 294.3695 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 20000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 20000 WRITING COORDINATES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART COORDINATES The last position output (seq=20000) takes 0.023 seconds, 109.504 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=20000) takes 0.012 seconds, 109.504 MB of memory in use PRESSURE: 20100 0 0 0 0 0 0 0 0 0 GPRESSURE: 20100 0 0 0 0 0 0 0 0 0 PRESSAVG: 20100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20100 0 0 0 0 0 0 0 0 0 TIMING: 20100 CPU: 80.4185, 0.0047338/step Wall: 80.4185, 0.0047338/step, 0.631042 hours remaining, 109.503906 MB of memory in use. ENERGY: 20100 651.8340 1802.1176 2066.2730 101.2749 -15.5866 -1012.2474 167.5338 0.0000 2633.1244 6394.3237 290.8359 3761.1993 6424.6974 295.5386 PRESSURE: 20200 0 0 0 0 0 0 0 0 0 GPRESSURE: 20200 0 0 0 0 0 0 0 0 0 PRESSAVG: 20200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20200 0 0 0 0 0 0 0 0 0 TIMING: 20200 CPU: 80.8166, 0.00398093/step Wall: 80.8166, 0.00398093/step, 0.530569 hours remaining, 109.503906 MB of memory in use. ENERGY: 20200 664.1172 1869.6540 2013.6172 110.6101 -14.5089 -1023.5468 163.0150 0.0000 2634.4163 6417.3741 290.9786 3782.9578 6446.6714 294.8587 LDB: ============= START OF LOAD BALANCING ============== 83.5933 LDB: ============== END OF LOAD BALANCING =============== 83.5934 LDB: =============== DONE WITH MIGRATION ================ 83.5935 PRESSURE: 20300 0 0 0 0 0 0 0 0 0 GPRESSURE: 20300 0 0 0 0 0 0 0 0 0 PRESSAVG: 20300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20300 0 0 0 0 0 0 0 0 0 TIMING: 20300 CPU: 81.2159, 0.00399303/step Wall: 81.2159, 0.00399303/step, 0.532071 hours remaining, 109.503906 MB of memory in use. ENERGY: 20300 668.2994 1853.7478 2006.8264 110.4674 -15.8604 -1041.6342 162.0803 0.0000 2703.1164 6447.0431 298.5667 3743.9267 6482.6813 297.1506 LDB: ============= START OF LOAD BALANCING ============== 83.9922 LDB: ============== END OF LOAD BALANCING =============== 83.9923 LDB: =============== DONE WITH MIGRATION ================ 83.9923 PRESSURE: 20400 0 0 0 0 0 0 0 0 0 GPRESSURE: 20400 0 0 0 0 0 0 0 0 0 PRESSAVG: 20400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20400 0 0 0 0 0 0 0 0 0 TIMING: 20400 CPU: 81.6147, 0.00398807/step Wall: 81.6147, 0.00398807/step, 0.5313 hours remaining, 109.503906 MB of memory in use. ENERGY: 20400 648.4793 1847.7148 2003.0141 102.3679 -15.7375 -1069.0705 165.9158 0.0000 2733.7478 6416.4317 301.9501 3682.6839 6452.4721 297.6899 PRESSURE: 20500 0 0 0 0 0 0 0 0 0 GPRESSURE: 20500 0 0 0 0 0 0 0 0 0 PRESSAVG: 20500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20500 0 0 0 0 0 0 0 0 0 TIMING: 20500 CPU: 82.0133, 0.0039852/step Wall: 82.0133, 0.0039852/step, 0.530806 hours remaining, 109.503906 MB of memory in use. ENERGY: 20500 650.6368 1848.4700 2012.2222 109.8087 -14.7444 -1028.3670 166.4053 0.0000 2682.1458 6426.5773 296.2505 3744.4315 6459.4420 296.1791 PRESSURE: 20600 0 0 0 0 0 0 0 0 0 GPRESSURE: 20600 0 0 0 0 0 0 0 0 0 PRESSAVG: 20600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20600 0 0 0 0 0 0 0 0 0 TIMING: 20600 CPU: 82.4104, 0.00397179/step Wall: 82.4104, 0.00397179/step, 0.52891 hours remaining, 109.503906 MB of memory in use. ENERGY: 20600 669.2867 1827.6655 2021.1015 106.9884 -14.5993 -1055.3897 156.0849 0.0000 2737.5361 6448.6740 302.3685 3711.1379 6482.8509 295.9033 PRESSURE: 20700 0 0 0 0 0 0 0 0 0 GPRESSURE: 20700 0 0 0 0 0 0 0 0 0 PRESSAVG: 20700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20700 0 0 0 0 0 0 0 0 0 TIMING: 20700 CPU: 82.8077, 0.00397221/step Wall: 82.8077, 0.00397221/step, 0.528856 hours remaining, 109.503906 MB of memory in use. ENERGY: 20700 648.8070 1844.1071 2016.8739 100.9584 -15.4683 -1038.6615 154.2049 0.0000 2723.1169 6433.9384 300.7758 3710.8216 6467.2821 297.3894 PRESSURE: 20800 0 0 0 0 0 0 0 0 0 GPRESSURE: 20800 0 0 0 0 0 0 0 0 0 PRESSAVG: 20800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20800 0 0 0 0 0 0 0 0 0 TIMING: 20800 CPU: 83.2057, 0.00398044/step Wall: 83.2057, 0.00398044/step, 0.529841 hours remaining, 109.503906 MB of memory in use. ENERGY: 20800 630.8115 1827.5295 2037.3436 86.4250 -15.5401 -1040.5912 162.4095 0.0000 2749.4033 6437.7909 303.6792 3688.3877 6474.1230 297.3552 PRESSURE: 20900 0 0 0 0 0 0 0 0 0 GPRESSURE: 20900 0 0 0 0 0 0 0 0 0 PRESSAVG: 20900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20900 0 0 0 0 0 0 0 0 0 TIMING: 20900 CPU: 83.6029, 0.00397228/step Wall: 83.6029, 0.00397228/step, 0.528644 hours remaining, 109.503906 MB of memory in use. ENERGY: 20900 658.9287 1884.0840 2028.3353 102.0070 -15.9851 -1076.2492 169.1035 0.0000 2696.9204 6447.1446 297.8824 3750.2242 6480.0236 297.9090 PRESSURE: 21000 0 0 0 0 0 0 0 0 0 GPRESSURE: 21000 0 0 0 0 0 0 0 0 0 PRESSAVG: 21000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21000 0 0 0 0 0 0 0 0 0 TIMING: 21000 CPU: 84.0008, 0.00397859/step Wall: 84.0008, 0.00397859/step, 0.529374 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 21000 662.7445 1881.0852 2030.3298 91.2395 -16.0854 -1061.2410 149.0970 0.0000 2694.8149 6431.9845 297.6498 3737.1696 6462.5958 296.4517 PRESSURE: 21100 0 0 0 0 0 0 0 0 0 GPRESSURE: 21100 0 0 0 0 0 0 0 0 0 PRESSAVG: 21100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21100 0 0 0 0 0 0 0 0 0 TIMING: 21100 CPU: 84.398, 0.00397163/step Wall: 84.398, 0.00397163/step, 0.528337 hours remaining, 109.503906 MB of memory in use. ENERGY: 21100 664.2840 1910.1998 1998.9522 99.8954 -15.7283 -1051.6597 156.5371 0.0000 2667.0369 6429.5176 294.5817 3762.4807 6458.0639 296.8578 PRESSURE: 21200 0 0 0 0 0 0 0 0 0 GPRESSURE: 21200 0 0 0 0 0 0 0 0 0 PRESSAVG: 21200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21200 0 0 0 0 0 0 0 0 0 TIMING: 21200 CPU: 84.7952, 0.00397213/step Wall: 84.7952, 0.00397213/step, 0.528293 hours remaining, 109.503906 MB of memory in use. ENERGY: 21200 673.9920 1937.7811 2022.8153 105.7739 -15.6082 -1063.9976 156.7690 0.0000 2603.6236 6421.1492 287.5775 3817.5256 6452.7730 296.6325 PRESSURE: 21300 0 0 0 0 0 0 0 0 0 GPRESSURE: 21300 0 0 0 0 0 0 0 0 0 PRESSAVG: 21300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21300 0 0 0 0 0 0 0 0 0 TIMING: 21300 CPU: 85.1931, 0.00397948/step Wall: 85.1931, 0.00397948/step, 0.52916 hours remaining, 109.503906 MB of memory in use. ENERGY: 21300 643.6924 1913.2795 1989.4007 106.6891 -14.9839 -1056.7481 160.4544 0.0000 2638.2831 6380.0672 291.4057 3741.7841 6413.6654 295.5135 PRESSURE: 21400 0 0 0 0 0 0 0 0 0 GPRESSURE: 21400 0 0 0 0 0 0 0 0 0 PRESSAVG: 21400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21400 0 0 0 0 0 0 0 0 0 TIMING: 21400 CPU: 85.5904, 0.00397267/step Wall: 85.5904, 0.00397267/step, 0.528145 hours remaining, 109.503906 MB of memory in use. ENERGY: 21400 640.9653 1875.5525 1995.5926 110.2822 -15.1708 -1020.6444 156.1504 0.0000 2643.7613 6386.4891 292.0108 3742.7278 6417.3873 294.1437 PRESSURE: 21500 0 0 0 0 0 0 0 0 0 GPRESSURE: 21500 0 0 0 0 0 0 0 0 0 PRESSAVG: 21500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21500 0 0 0 0 0 0 0 0 0 TIMING: 21500 CPU: 85.9885, 0.0039816/step Wall: 85.9885, 0.0039816/step, 0.529221 hours remaining, 109.503906 MB of memory in use. ENERGY: 21500 637.0145 1854.3114 2010.5664 100.6077 -13.8769 -1024.0668 158.2425 0.0000 2662.9871 6385.7858 294.1343 3722.7987 6415.4056 294.2519 PRESSURE: 21600 0 0 0 0 0 0 0 0 0 GPRESSURE: 21600 0 0 0 0 0 0 0 0 0 PRESSAVG: 21600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21600 0 0 0 0 0 0 0 0 0 TIMING: 21600 CPU: 86.3856, 0.00397088/step Wall: 86.3856, 0.00397088/step, 0.527686 hours remaining, 109.503906 MB of memory in use. ENERGY: 21600 661.0811 1866.9185 2028.6013 96.2231 -15.4979 -1049.4044 161.2591 0.0000 2652.3251 6401.5059 292.9567 3749.1808 6430.4563 293.5085 PRESSURE: 21700 0 0 0 0 0 0 0 0 0 GPRESSURE: 21700 0 0 0 0 0 0 0 0 0 PRESSAVG: 21700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21700 0 0 0 0 0 0 0 0 0 TIMING: 21700 CPU: 86.7827, 0.0039702/step Wall: 86.7827, 0.0039702/step, 0.527485 hours remaining, 109.503906 MB of memory in use. ENERGY: 21700 592.6044 1842.4991 2029.0030 103.7592 -14.5956 -999.0248 155.9185 0.0000 2693.6709 6403.8347 297.5235 3710.1638 6438.4301 295.6279 PRESSURE: 21800 0 0 0 0 0 0 0 0 0 GPRESSURE: 21800 0 0 0 0 0 0 0 0 0 PRESSAVG: 21800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21800 0 0 0 0 0 0 0 0 0 TIMING: 21800 CPU: 87.1806, 0.00397903/step Wall: 87.1806, 0.00397903/step, 0.528548 hours remaining, 109.503906 MB of memory in use. ENERGY: 21800 616.0682 1888.7511 2016.2269 106.4428 -15.3258 -1040.1791 154.6037 0.0000 2646.6050 6373.1928 292.3249 3726.5878 6407.3376 294.4329 PRESSURE: 21900 0 0 0 0 0 0 0 0 0 GPRESSURE: 21900 0 0 0 0 0 0 0 0 0 PRESSAVG: 21900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21900 0 0 0 0 0 0 0 0 0 TIMING: 21900 CPU: 87.5775, 0.00396946/step Wall: 87.5775, 0.00396946/step, 0.527167 hours remaining, 109.503906 MB of memory in use. ENERGY: 21900 645.1961 1837.7090 2034.7892 101.4273 -15.2906 -1051.4134 161.2731 0.0000 2654.5365 6368.2272 293.2009 3713.6907 6397.9921 294.6767 PRESSURE: 22000 0 0 0 0 0 0 0 0 0 GPRESSURE: 22000 0 0 0 0 0 0 0 0 0 PRESSAVG: 22000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22000 0 0 0 0 0 0 0 0 0 TIMING: 22000 CPU: 87.9756, 0.00398087/step Wall: 87.9756, 0.00398086/step, 0.52857 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 22000 652.4743 1846.5436 2027.5787 106.9943 -15.6497 -1070.4480 169.1814 0.0000 2646.1774 6362.8519 292.2777 3716.6745 6398.1510 293.6070 PRESSURE: 22100 0 0 0 0 0 0 0 0 0 GPRESSURE: 22100 0 0 0 0 0 0 0 0 0 PRESSAVG: 22100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22100 0 0 0 0 0 0 0 0 0 TIMING: 22100 CPU: 88.3729, 0.0039735/step Wall: 88.3729, 0.00397351/step, 0.527483 hours remaining, 109.503906 MB of memory in use. ENERGY: 22100 636.3776 1844.3893 2036.1385 112.1930 -15.6802 -1023.4740 160.4812 0.0000 2630.9353 6381.3606 290.5941 3750.4253 6416.2877 293.5518 PRESSURE: 22200 0 0 0 0 0 0 0 0 0 GPRESSURE: 22200 0 0 0 0 0 0 0 0 0 PRESSAVG: 22200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22200 0 0 0 0 0 0 0 0 0 TIMING: 22200 CPU: 88.77, 0.00397064/step Wall: 88.77, 0.00397064/step, 0.526992 hours remaining, 109.503906 MB of memory in use. ENERGY: 22200 646.6857 1834.4505 1988.9123 103.5838 -14.5246 -1008.5492 169.8659 0.0000 2678.3074 6398.7317 295.8265 3720.4243 6431.2030 294.0026 PRESSURE: 22300 0 0 0 0 0 0 0 0 0 GPRESSURE: 22300 0 0 0 0 0 0 0 0 0 PRESSAVG: 22300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22300 0 0 0 0 0 0 0 0 0 TIMING: 22300 CPU: 89.1679, 0.00397917/step Wall: 89.1679, 0.00397917/step, 0.528014 hours remaining, 109.503906 MB of memory in use. ENERGY: 22300 618.0438 1833.8150 2001.6678 106.2586 -15.0048 -1052.2357 174.0972 0.0000 2730.7923 6397.4343 301.6236 3666.6420 6434.2625 295.6076 PRESSURE: 22400 0 0 0 0 0 0 0 0 0 GPRESSURE: 22400 0 0 0 0 0 0 0 0 0 PRESSAVG: 22400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22400 0 0 0 0 0 0 0 0 0 TIMING: 22400 CPU: 89.5651, 0.00397226/step Wall: 89.5651, 0.00397226/step, 0.526987 hours remaining, 109.503906 MB of memory in use. ENERGY: 22400 651.2770 1864.8324 1995.7238 98.0333 -14.5421 -1044.5514 166.9441 0.0000 2657.7448 6375.4618 293.5553 3717.7170 6406.5827 293.7165 PRESSURE: 22500 0 0 0 0 0 0 0 0 0 GPRESSURE: 22500 0 0 0 0 0 0 0 0 0 PRESSAVG: 22500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22500 0 0 0 0 0 0 0 0 0 TIMING: 22500 CPU: 89.9632, 0.00398051/step Wall: 89.9632, 0.0039805/step, 0.527969 hours remaining, 109.503906 MB of memory in use. ENERGY: 22500 638.1330 1909.5665 1993.0774 98.6585 -15.1640 -1014.7943 169.3258 0.0000 2612.3148 6391.1177 288.5374 3778.8029 6421.3185 294.1545 PRESSURE: 22600 0 0 0 0 0 0 0 0 0 GPRESSURE: 22600 0 0 0 0 0 0 0 0 0 PRESSAVG: 22600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22600 0 0 0 0 0 0 0 0 0 TIMING: 22600 CPU: 90.3607, 0.00397548/step Wall: 90.3607, 0.00397549/step, 0.527194 hours remaining, 109.503906 MB of memory in use. ENERGY: 22600 658.6216 1887.7030 2019.3708 106.4343 -14.4873 -1084.5090 165.4080 0.0000 2676.6700 6415.2113 295.6457 3738.5413 6450.0518 296.3215 PRESSURE: 22700 0 0 0 0 0 0 0 0 0 GPRESSURE: 22700 0 0 0 0 0 0 0 0 0 PRESSAVG: 22700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22700 0 0 0 0 0 0 0 0 0 TIMING: 22700 CPU: 90.7579, 0.00397198/step Wall: 90.7579, 0.00397198/step, 0.526618 hours remaining, 109.503906 MB of memory in use. ENERGY: 22700 632.4164 1848.0389 2002.9330 98.2654 -14.3735 -1022.1137 171.3322 0.0000 2736.9354 6453.4341 302.3021 3716.4987 6489.1448 296.6942 PRESSURE: 22800 0 0 0 0 0 0 0 0 0 GPRESSURE: 22800 0 0 0 0 0 0 0 0 0 PRESSAVG: 22800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22800 0 0 0 0 0 0 0 0 0 TIMING: 22800 CPU: 91.1559, 0.0039792/step Wall: 91.1559, 0.0039792/step, 0.527465 hours remaining, 109.503906 MB of memory in use. ENERGY: 22800 665.4162 1908.7972 2030.3416 116.1532 -15.2103 -1041.4320 152.3072 0.0000 2683.1471 6499.5202 296.3611 3816.3731 6528.4633 299.7617 PRESSURE: 22900 0 0 0 0 0 0 0 0 0 GPRESSURE: 22900 0 0 0 0 0 0 0 0 0 PRESSAVG: 22900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22900 0 0 0 0 0 0 0 0 0 TIMING: 22900 CPU: 91.5531, 0.00397251/step Wall: 91.5531, 0.00397251/step, 0.526468 hours remaining, 109.503906 MB of memory in use. ENERGY: 22900 654.9293 1869.2728 2032.3291 113.0551 -15.1056 -1029.6884 158.3887 0.0000 2693.3046 6476.4857 297.4830 3783.1810 6508.3065 299.7120 PRESSURE: 23000 0 0 0 0 0 0 0 0 0 GPRESSURE: 23000 0 0 0 0 0 0 0 0 0 PRESSAVG: 23000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23000 0 0 0 0 0 0 0 0 0 TIMING: 23000 CPU: 91.9502, 0.00397113/step Wall: 91.9502, 0.00397113/step, 0.526175 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 23000 649.4123 1886.1670 2000.9116 95.6594 -14.6675 -1064.8512 151.9926 0.0000 2742.5471 6447.1714 302.9220 3704.6243 6481.9703 299.3748 PRESSURE: 23100 0 0 0 0 0 0 0 0 0 GPRESSURE: 23100 0 0 0 0 0 0 0 0 0 PRESSAVG: 23100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23100 0 0 0 0 0 0 0 0 0 TIMING: 23100 CPU: 92.3481, 0.00397923/step Wall: 92.3481, 0.00397923/step, 0.527137 hours remaining, 109.503906 MB of memory in use. ENERGY: 23100 641.1160 1867.3662 2003.2354 110.6529 -14.5274 -1010.3434 160.2786 0.0000 2678.5370 6436.3151 295.8519 3757.7781 6470.6185 297.6922 PRESSURE: 23200 0 0 0 0 0 0 0 0 0 GPRESSURE: 23200 0 0 0 0 0 0 0 0 0 PRESSAVG: 23200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23200 0 0 0 0 0 0 0 0 0 TIMING: 23200 CPU: 92.7453, 0.00397124/step Wall: 92.7453, 0.00397124/step, 0.525968 hours remaining, 109.503906 MB of memory in use. ENERGY: 23200 649.0285 1869.9746 2018.7369 112.8704 -16.0789 -1030.7337 159.7797 0.0000 2653.1401 6416.7176 293.0467 3763.5775 6448.7426 295.3477 PRESSURE: 23300 0 0 0 0 0 0 0 0 0 GPRESSURE: 23300 0 0 0 0 0 0 0 0 0 PRESSAVG: 23300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23300 0 0 0 0 0 0 0 0 0 TIMING: 23300 CPU: 93.1438, 0.00398526/step Wall: 93.1438, 0.00398526/step, 0.527715 hours remaining, 109.503906 MB of memory in use. ENERGY: 23300 669.6863 1845.5190 2022.9203 107.1928 -15.7045 -1039.6869 158.2127 0.0000 2618.4685 6366.6083 289.2171 3748.1398 6397.7264 294.2665 PRESSURE: 23400 0 0 0 0 0 0 0 0 0 GPRESSURE: 23400 0 0 0 0 0 0 0 0 0 PRESSAVG: 23400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23400 0 0 0 0 0 0 0 0 0 TIMING: 23400 CPU: 93.5409, 0.00397138/step Wall: 93.5409, 0.00397138/step, 0.525766 hours remaining, 109.503906 MB of memory in use. ENERGY: 23400 627.6615 1893.7543 2007.1236 107.7499 -14.0516 -1070.2318 181.4815 0.0000 2643.0001 6376.4875 291.9267 3733.4873 6405.5431 293.4804 PRESSURE: 23500 0 0 0 0 0 0 0 0 0 GPRESSURE: 23500 0 0 0 0 0 0 0 0 0 PRESSAVG: 23500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23500 0 0 0 0 0 0 0 0 0 TIMING: 23500 CPU: 93.938, 0.00397014/step Wall: 93.938, 0.00397014/step, 0.525492 hours remaining, 109.503906 MB of memory in use. ENERGY: 23500 675.5034 1852.2436 1995.7832 101.1818 -15.6391 -1064.8769 148.4913 0.0000 2666.7176 6359.4049 294.5464 3692.6873 6391.7840 294.2044 PRESSURE: 23600 0 0 0 0 0 0 0 0 0 GPRESSURE: 23600 0 0 0 0 0 0 0 0 0 PRESSAVG: 23600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23600 0 0 0 0 0 0 0 0 0 TIMING: 23600 CPU: 94.3363, 0.0039832/step Wall: 94.3363, 0.0039832/step, 0.52711 hours remaining, 109.503906 MB of memory in use. ENERGY: 23600 633.6942 1823.7870 2009.2983 97.8297 -15.1813 -1026.0593 168.6392 0.0000 2687.0799 6379.0877 296.7955 3692.0078 6412.9224 292.9475 PRESSURE: 23700 0 0 0 0 0 0 0 0 0 GPRESSURE: 23700 0 0 0 0 0 0 0 0 0 PRESSAVG: 23700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23700 0 0 0 0 0 0 0 0 0 TIMING: 23700 CPU: 94.7335, 0.00397215/step Wall: 94.7335, 0.00397214/step, 0.525536 hours remaining, 109.503906 MB of memory in use. ENERGY: 23700 625.5931 1888.9269 2018.8418 107.0255 -14.5517 -1060.8883 157.3698 0.0000 2680.1979 6402.5150 296.0353 3722.3171 6436.8603 295.5682 PRESSURE: 23800 0 0 0 0 0 0 0 0 0 GPRESSURE: 23800 0 0 0 0 0 0 0 0 0 PRESSAVG: 23800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23800 0 0 0 0 0 0 0 0 0 TIMING: 23800 CPU: 95.1315, 0.00397975/step Wall: 95.1315, 0.00397976/step, 0.526434 hours remaining, 109.503906 MB of memory in use. ENERGY: 23800 675.8238 1855.7613 2002.1549 99.1683 -15.1662 -1067.7782 164.9283 0.0000 2682.9660 6397.8582 296.3411 3714.8922 6430.1636 293.4584 PRESSURE: 23900 0 0 0 0 0 0 0 0 0 GPRESSURE: 23900 0 0 0 0 0 0 0 0 0 PRESSAVG: 23900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23900 0 0 0 0 0 0 0 0 0 TIMING: 23900 CPU: 95.5287, 0.00397194/step Wall: 95.5287, 0.00397194/step, 0.525289 hours remaining, 109.503906 MB of memory in use. ENERGY: 23900 650.6715 1849.5355 2004.9711 102.1243 -14.9058 -1028.5947 158.8112 0.0000 2687.3878 6410.0009 296.8295 3722.6131 6442.9673 296.3312 PRESSURE: 24000 0 0 0 0 0 0 0 0 0 GPRESSURE: 24000 0 0 0 0 0 0 0 0 0 PRESSAVG: 24000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24000 0 0 0 0 0 0 0 0 0 TIMING: 24000 CPU: 95.9258, 0.00397134/step Wall: 95.9258, 0.00397134/step, 0.525099 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 24000 641.1521 1851.9121 2061.7115 98.4895 -14.2918 -1041.4990 174.2732 0.0000 2630.6856 6402.4333 290.5666 3771.7476 6435.2631 294.8098 PRESSURE: 24100 0 0 0 0 0 0 0 0 0 GPRESSURE: 24100 0 0 0 0 0 0 0 0 0 PRESSAVG: 24100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24100 0 0 0 0 0 0 0 0 0 TIMING: 24100 CPU: 96.3236, 0.00397802/step Wall: 96.3236, 0.00397802/step, 0.525872 hours remaining, 109.503906 MB of memory in use. ENERGY: 24100 647.6401 1813.8880 2009.9859 102.2091 -14.6939 -1020.0388 171.4364 0.0000 2686.8050 6397.2319 296.7651 3710.4269 6431.1828 294.7140 PRESSURE: 24200 0 0 0 0 0 0 0 0 0 GPRESSURE: 24200 0 0 0 0 0 0 0 0 0 PRESSAVG: 24200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24200 0 0 0 0 0 0 0 0 0 TIMING: 24200 CPU: 96.7208, 0.00397258/step Wall: 96.7208, 0.00397258/step, 0.525043 hours remaining, 109.503906 MB of memory in use. ENERGY: 24200 679.2608 1885.4926 2016.3046 97.1076 -13.8693 -1076.2663 178.9784 0.0000 2674.4617 6441.4700 295.4017 3767.0083 6472.7962 295.9024 LDB: ============= START OF LOAD BALANCING ============== 99.4965 LDB: ============== END OF LOAD BALANCING =============== 99.4965 LDB: =============== DONE WITH MIGRATION ================ 99.4966 PRESSURE: 24300 0 0 0 0 0 0 0 0 0 GPRESSURE: 24300 0 0 0 0 0 0 0 0 0 PRESSAVG: 24300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24300 0 0 0 0 0 0 0 0 0 TIMING: 24300 CPU: 97.119, 0.00398144/step Wall: 97.119, 0.00398144/step, 0.526103 hours remaining, 109.503906 MB of memory in use. ENERGY: 24300 659.6516 1842.7034 2018.7927 99.5532 -13.9743 -1010.4848 164.1989 0.0000 2702.1395 6462.5803 298.4588 3760.4407 6497.5072 297.4578 LDB: ============= START OF LOAD BALANCING ============== 99.8945 LDB: ============== END OF LOAD BALANCING =============== 99.8945 LDB: =============== DONE WITH MIGRATION ================ 99.8946 PRESSURE: 24400 0 0 0 0 0 0 0 0 0 GPRESSURE: 24400 0 0 0 0 0 0 0 0 0 PRESSAVG: 24400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24400 0 0 0 0 0 0 0 0 0 TIMING: 24400 CPU: 97.5169, 0.00397937/step Wall: 97.5169, 0.00397937/step, 0.525719 hours remaining, 109.503906 MB of memory in use. ENERGY: 24400 658.9419 1910.8927 2005.4713 104.0789 -14.1261 -1056.1170 159.4686 0.0000 2674.3283 6442.9388 295.3870 3768.6104 6474.3576 299.1036 PRESSURE: 24500 0 0 0 0 0 0 0 0 0 GPRESSURE: 24500 0 0 0 0 0 0 0 0 0 PRESSAVG: 24500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24500 0 0 0 0 0 0 0 0 0 TIMING: 24500 CPU: 97.9141, 0.00397188/step Wall: 97.9141, 0.00397188/step, 0.524619 hours remaining, 109.503906 MB of memory in use. ENERGY: 24500 664.0455 1910.6726 2033.3377 110.6858 -13.7099 -1038.9635 178.4490 0.0000 2641.6467 6486.1639 291.7772 3844.5172 6517.7670 299.0512 PRESSURE: 24600 0 0 0 0 0 0 0 0 0 GPRESSURE: 24600 0 0 0 0 0 0 0 0 0 PRESSAVG: 24600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24600 0 0 0 0 0 0 0 0 0 TIMING: 24600 CPU: 98.312, 0.00397913/step Wall: 98.312, 0.00397913/step, 0.525466 hours remaining, 109.503906 MB of memory in use. ENERGY: 24600 640.5371 1876.1380 2037.7891 107.9674 -14.9859 -1026.8873 170.0289 0.0000 2729.3437 6519.9311 301.4636 3790.5874 6551.2597 301.4537 PRESSURE: 24700 0 0 0 0 0 0 0 0 0 GPRESSURE: 24700 0 0 0 0 0 0 0 0 0 PRESSAVG: 24700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24700 0 0 0 0 0 0 0 0 0 TIMING: 24700 CPU: 98.7092, 0.00397126/step Wall: 98.7092, 0.00397126/step, 0.524317 hours remaining, 109.503906 MB of memory in use. ENERGY: 24700 672.7713 1903.0937 2022.8967 105.7982 -14.4462 -1007.7476 155.2218 0.0000 2675.9629 6513.5507 295.5676 3837.5878 6545.8743 300.0522 PRESSURE: 24800 0 0 0 0 0 0 0 0 0 GPRESSURE: 24800 0 0 0 0 0 0 0 0 0 PRESSAVG: 24800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24800 0 0 0 0 0 0 0 0 0 TIMING: 24800 CPU: 99.1069, 0.0039772/step Wall: 99.1069, 0.0039772/step, 0.52499 hours remaining, 109.503906 MB of memory in use. ENERGY: 24800 627.1048 1879.0744 2037.4326 102.8535 -14.8111 -1031.9957 166.1178 0.0000 2717.8758 6483.6522 300.1970 3765.7764 6516.7224 299.5931 PRESSURE: 24900 0 0 0 0 0 0 0 0 0 GPRESSURE: 24900 0 0 0 0 0 0 0 0 0 PRESSAVG: 24900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24900 0 0 0 0 0 0 0 0 0 TIMING: 24900 CPU: 99.504, 0.00397143/step Wall: 99.504, 0.00397143/step, 0.524119 hours remaining, 109.503906 MB of memory in use. ENERGY: 24900 657.4752 1878.2219 2066.2981 103.6244 -14.2469 -1037.0408 174.4546 0.0000 2650.0479 6478.8344 292.7052 3828.7865 6511.1339 298.9962 PRESSURE: 25000 0 0 0 0 0 0 0 0 0 GPRESSURE: 25000 0 0 0 0 0 0 0 0 0 PRESSAVG: 25000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25000 0 0 0 0 0 0 0 0 0 TIMING: 25000 CPU: 99.9011, 0.00397103/step Wall: 99.9011, 0.00397103/step, 0.523955 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 25000 654.0600 1875.6973 2036.3378 105.1746 -14.7498 -1029.1658 153.0348 0.0000 2667.9747 6448.3636 294.6852 3780.3889 6478.3212 299.0454 PRESSURE: 25100 0 0 0 0 0 0 0 0 0 GPRESSURE: 25100 0 0 0 0 0 0 0 0 0 PRESSAVG: 25100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25100 0 0 0 0 0 0 0 0 0 TIMING: 25100 CPU: 100.299, 0.00398144/step Wall: 100.299, 0.00398144/step, 0.525218 hours remaining, 109.503906 MB of memory in use. ENERGY: 25100 649.1729 1881.8939 2035.2108 98.9192 -15.5144 -1023.9686 160.9002 0.0000 2691.1891 6477.8032 297.2493 3786.6141 6510.9580 298.0737 PRESSURE: 25200 0 0 0 0 0 0 0 0 0 GPRESSURE: 25200 0 0 0 0 0 0 0 0 0 PRESSAVG: 25200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25200 0 0 0 0 0 0 0 0 0 TIMING: 25200 CPU: 100.696, 0.00396896/step Wall: 100.696, 0.00396896/step, 0.523462 hours remaining, 109.503906 MB of memory in use. ENERGY: 25200 624.1865 1851.6027 2043.0656 98.3669 -15.3963 -1048.5315 170.3654 0.0000 2765.8660 6489.5253 305.4976 3723.6592 6523.8371 299.9051 PRESSURE: 25300 0 0 0 0 0 0 0 0 0 GPRESSURE: 25300 0 0 0 0 0 0 0 0 0 PRESSAVG: 25300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25300 0 0 0 0 0 0 0 0 0 TIMING: 25300 CPU: 101.094, 0.00397843/step Wall: 101.094, 0.00397843/step, 0.5246 hours remaining, 109.503906 MB of memory in use. ENERGY: 25300 669.0764 1888.2677 2009.2665 107.7531 -14.2061 -1043.6179 181.7127 0.0000 2698.3581 6496.6106 298.0412 3798.2525 6531.4251 301.5222 PRESSURE: 25400 0 0 0 0 0 0 0 0 0 GPRESSURE: 25400 0 0 0 0 0 0 0 0 0 PRESSAVG: 25400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25400 0 0 0 0 0 0 0 0 0 TIMING: 25400 CPU: 101.491, 0.00397141/step Wall: 101.491, 0.00397141/step, 0.523564 hours remaining, 109.503906 MB of memory in use. ENERGY: 25400 649.6855 1852.9945 2033.0014 102.3444 -15.3650 -1026.4770 173.2001 0.0000 2715.8482 6485.2319 299.9730 3769.3838 6517.1297 299.5588 PRESSURE: 25500 0 0 0 0 0 0 0 0 0 GPRESSURE: 25500 0 0 0 0 0 0 0 0 0 PRESSAVG: 25500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25500 0 0 0 0 0 0 0 0 0 TIMING: 25500 CPU: 101.888, 0.00397115/step Wall: 101.888, 0.00397115/step, 0.52342 hours remaining, 109.503906 MB of memory in use. ENERGY: 25500 664.6812 1871.9815 2001.8971 94.3569 -14.6984 -982.5415 171.1237 0.0000 2705.1172 6511.9177 298.7877 3806.8005 6543.5125 299.7800 PRESSURE: 25600 0 0 0 0 0 0 0 0 0 GPRESSURE: 25600 0 0 0 0 0 0 0 0 0 PRESSAVG: 25600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25600 0 0 0 0 0 0 0 0 0 TIMING: 25600 CPU: 102.286, 0.00397892/step Wall: 102.286, 0.00397891/step, 0.524332 hours remaining, 109.503906 MB of memory in use. ENERGY: 25600 658.7726 1905.4141 2018.0554 90.5142 -15.9209 -1012.0764 159.9207 0.0000 2728.9020 6533.5817 301.4148 3804.6797 6565.4254 300.9539 PRESSURE: 25700 0 0 0 0 0 0 0 0 0 GPRESSURE: 25700 0 0 0 0 0 0 0 0 0 PRESSAVG: 25700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25700 0 0 0 0 0 0 0 0 0 TIMING: 25700 CPU: 102.683, 0.00397079/step Wall: 102.683, 0.0039708/step, 0.523153 hours remaining, 109.503906 MB of memory in use. ENERGY: 25700 650.6020 1904.3999 2035.4907 107.0556 -14.1495 -1059.7009 173.3638 0.0000 2719.8684 6516.9299 300.4170 3797.0615 6550.3109 303.0995 PRESSURE: 25800 0 0 0 0 0 0 0 0 0 GPRESSURE: 25800 0 0 0 0 0 0 0 0 0 PRESSAVG: 25800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25800 0 0 0 0 0 0 0 0 0 TIMING: 25800 CPU: 103.082, 0.00398317/step Wall: 103.082, 0.00398317/step, 0.524672 hours remaining, 109.503906 MB of memory in use. ENERGY: 25800 644.8994 1847.6351 2028.0028 109.3530 -14.1455 -1028.5036 185.9387 0.0000 2751.9497 6525.1297 303.9605 3773.1800 6558.1444 301.0936 PRESSURE: 25900 0 0 0 0 0 0 0 0 0 GPRESSURE: 25900 0 0 0 0 0 0 0 0 0 PRESSAVG: 25900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25900 0 0 0 0 0 0 0 0 0 TIMING: 25900 CPU: 103.479, 0.00397223/step Wall: 103.479, 0.00397223/step, 0.523121 hours remaining, 109.503906 MB of memory in use. ENERGY: 25900 650.1371 1859.8929 2038.1217 103.5323 -15.1989 -1043.7083 170.0401 0.0000 2741.5175 6504.3344 302.8082 3762.8169 6538.3516 302.0932 PRESSURE: 26000 0 0 0 0 0 0 0 0 0 GPRESSURE: 26000 0 0 0 0 0 0 0 0 0 PRESSAVG: 26000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26000 0 0 0 0 0 0 0 0 0 TIMING: 26000 CPU: 103.876, 0.0039707/step Wall: 103.876, 0.0039707/step, 0.522809 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 26000 671.2893 1820.0094 2026.3246 105.4978 -14.2813 -1055.9437 150.3903 0.0000 2807.0036 6510.2900 310.0414 3703.2863 6545.0687 302.4804 PRESSURE: 26100 0 0 0 0 0 0 0 0 0 GPRESSURE: 26100 0 0 0 0 0 0 0 0 0 PRESSAVG: 26100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26100 0 0 0 0 0 0 0 0 0 TIMING: 26100 CPU: 104.274, 0.00398017/step Wall: 104.274, 0.00398017/step, 0.523945 hours remaining, 109.503906 MB of memory in use. ENERGY: 26100 698.3318 1909.5004 2015.2977 104.1735 -15.2339 -1047.7770 170.6310 0.0000 2696.7252 6531.6486 297.8608 3834.9234 6562.3259 302.2397 PRESSURE: 26200 0 0 0 0 0 0 0 0 0 GPRESSURE: 26200 0 0 0 0 0 0 0 0 0 PRESSAVG: 26200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26200 0 0 0 0 0 0 0 0 0 TIMING: 26200 CPU: 104.671, 0.00397075/step Wall: 104.671, 0.00397075/step, 0.522595 hours remaining, 109.503906 MB of memory in use. ENERGY: 26200 658.6734 1903.3281 2042.5853 115.4880 -15.1270 -1058.8400 175.9366 0.0000 2729.9982 6552.0427 301.5359 3822.0445 6584.2323 303.0271 PRESSURE: 26300 0 0 0 0 0 0 0 0 0 GPRESSURE: 26300 0 0 0 0 0 0 0 0 0 PRESSAVG: 26300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26300 0 0 0 0 0 0 0 0 0 TIMING: 26300 CPU: 105.069, 0.00397968/step Wall: 105.069, 0.00397968/step, 0.52366 hours remaining, 109.503906 MB of memory in use. ENERGY: 26300 657.9736 1855.6825 2038.5000 119.2856 -15.0730 -1046.6897 170.9402 0.0000 2744.8882 6525.5075 303.1806 3780.6193 6558.0065 301.7918 PRESSURE: 26400 0 0 0 0 0 0 0 0 0 GPRESSURE: 26400 0 0 0 0 0 0 0 0 0 PRESSAVG: 26400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26400 0 0 0 0 0 0 0 0 0 TIMING: 26400 CPU: 105.466, 0.00397067/step Wall: 105.466, 0.00397067/step, 0.522364 hours remaining, 109.503906 MB of memory in use. ENERGY: 26400 648.5904 1906.6003 1999.9746 102.9415 -15.5542 -999.8331 164.6890 0.0000 2746.6552 6554.0637 303.3757 3807.4084 6586.1333 302.4524 PRESSURE: 26500 0 0 0 0 0 0 0 0 0 GPRESSURE: 26500 0 0 0 0 0 0 0 0 0 PRESSAVG: 26500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26500 0 0 0 0 0 0 0 0 0 TIMING: 26500 CPU: 105.863, 0.00397118/step Wall: 105.863, 0.00397118/step, 0.52232 hours remaining, 109.503906 MB of memory in use. ENERGY: 26500 689.2871 1860.5891 2027.9491 109.8810 -15.0480 -1022.3586 169.7251 0.0000 2719.1193 6539.1444 300.3343 3820.0250 6573.2219 303.2362 PRESSURE: 26600 0 0 0 0 0 0 0 0 0 GPRESSURE: 26600 0 0 0 0 0 0 0 0 0 PRESSAVG: 26600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26600 0 0 0 0 0 0 0 0 0 TIMING: 26600 CPU: 106.261, 0.0039815/step Wall: 106.261, 0.0039815/step, 0.523567 hours remaining, 109.503906 MB of memory in use. ENERGY: 26600 676.5747 1863.1612 2003.3343 99.8405 -14.5013 -1020.0436 190.0576 0.0000 2710.8599 6509.2835 299.4220 3798.4236 6539.2997 300.8623 PRESSURE: 26700 0 0 0 0 0 0 0 0 0 GPRESSURE: 26700 0 0 0 0 0 0 0 0 0 PRESSAVG: 26700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26700 0 0 0 0 0 0 0 0 0 TIMING: 26700 CPU: 106.658, 0.00397076/step Wall: 106.658, 0.00397076/step, 0.522045 hours remaining, 109.503906 MB of memory in use. ENERGY: 26700 659.7477 1867.6958 2010.6959 98.3642 -14.2612 -1023.7699 168.2821 0.0000 2712.3440 6479.0986 299.5859 3766.7546 6512.5492 299.6931 PRESSURE: 26800 0 0 0 0 0 0 0 0 0 GPRESSURE: 26800 0 0 0 0 0 0 0 0 0 PRESSAVG: 26800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26800 0 0 0 0 0 0 0 0 0 TIMING: 26800 CPU: 107.056, 0.00397833/step Wall: 107.056, 0.00397833/step, 0.522929 hours remaining, 109.503906 MB of memory in use. ENERGY: 26800 662.6655 1848.7813 2034.9680 100.9035 -15.1974 -1060.9890 178.3998 0.0000 2741.5163 6491.0479 302.8081 3749.5316 6524.9662 300.4898 PRESSURE: 26900 0 0 0 0 0 0 0 0 0 GPRESSURE: 26900 0 0 0 0 0 0 0 0 0 PRESSAVG: 26900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26900 0 0 0 0 0 0 0 0 0 TIMING: 26900 CPU: 107.453, 0.00397253/step Wall: 107.453, 0.00397253/step, 0.522057 hours remaining, 109.503906 MB of memory in use. ENERGY: 26900 647.8726 1833.2442 2035.2610 107.5059 -13.9505 -1012.5868 157.9063 0.0000 2746.1912 6501.4441 303.3245 3755.2528 6536.4749 299.5071 PRESSURE: 27000 0 0 0 0 0 0 0 0 0 GPRESSURE: 27000 0 0 0 0 0 0 0 0 0 PRESSAVG: 27000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27000 0 0 0 0 0 0 0 0 0 TIMING: 27000 CPU: 107.851, 0.0039732/step Wall: 107.851, 0.0039732/step, 0.522034 hours remaining, 109.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 27000 650.1910 1887.6302 2005.6951 99.1576 -14.2866 -1032.7040 165.9934 0.0000 2744.1274 6505.8041 303.0965 3761.6767 6543.7910 301.4150 PRESSURE: 27100 0 0 0 0 0 0 0 0 0 GPRESSURE: 27100 0 0 0 0 0 0 0 0 0 PRESSAVG: 27100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27100 0 0 0 0 0 0 0 0 0 TIMING: 27100 CPU: 108.248, 0.00397648/step Wall: 108.248, 0.00397648/step, 0.522355 hours remaining, 109.503906 MB of memory in use. ENERGY: 27100 660.4127 1901.8459 2054.2101 99.8225 -15.4412 -1090.4793 170.1512 0.0000 2764.2243 6544.7463 305.3163 3780.5220 6579.5356 301.8690 PRESSURE: 27200 0 0 0 0 0 0 0 0 0 GPRESSURE: 27200 0 0 0 0 0 0 0 0 0 PRESSAVG: 27200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27200 0 0 0 0 0 0 0 0 0 TIMING: 27200 CPU: 108.645, 0.00397067/step Wall: 108.645, 0.00397067/step, 0.521481 hours remaining, 109.503906 MB of memory in use. ENERGY: 27200 658.5714 1910.7374 2027.8732 107.6385 -15.2306 -1015.6232 153.3150 0.0000 2687.2600 6514.5420 296.8154 3827.2819 6546.1414 301.7420 PRESSURE: 27300 0 0 0 0 0 0 0 0 0 GPRESSURE: 27300 0 0 0 0 0 0 0 0 0 PRESSAVG: 27300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27300 0 0 0 0 0 0 0 0 0 TIMING: 27300 CPU: 109.043, 0.00398006/step Wall: 109.043, 0.00398006/step, 0.522604 hours remaining, 109.503906 MB of memory in use. ENERGY: 27300 615.5328 1896.8672 2028.6830 101.6276 -15.0756 -1035.5232 173.6669 0.0000 2752.7663 6518.5449 304.0507 3765.7787 6553.7369 301.0639 PRESSURE: 27400 0 0 0 0 0 0 0 0 0 GPRESSURE: 27400 0 0 0 0 0 0 0 0 0 PRESSAVG: 27400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27400 0 0 0 0 0 0 0 0 0 TIMING: 27400 CPU: 109.441, 0.00397295/step Wall: 109.441, 0.00397295/step, 0.52156 hours remaining, 109.503906 MB of memory in use. ENERGY: 27400 603.3457 1944.4291 2002.1886 111.3334 -13.1986 -993.7995 174.1229 0.0000 2732.9031 6561.3246 301.8568 3828.4215 6590.6012 302.4174 PRESSURE: 27500 0 0 0 0 0 0 0 0 0 GPRESSURE: 27500 0 0 0 0 0 0 0 0 0 PRESSAVG: 27500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27500 0 0 0 0 0 0 0 0 0 TIMING: 27500 CPU: 109.838, 0.00397147/step Wall: 109.838, 0.00397147/step, 0.521255 hours remaining, 109.503906 MB of memory in use. ENERGY: 27500 655.9896 1922.1083 2023.2752 105.3915 -13.3035 -1049.7698 170.7391 0.0000 2724.3713 6538.8017 300.9144 3814.4304 6569.3018 302.2626 PRESSURE: 27600 0 0 0 0 0 0 0 0 0 GPRESSURE: 27600 0 0 0 0 0 0 0 0 0 PRESSAVG: 27600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27600 0 0 0 0 0 0 0 0 0 TIMING: 27600 CPU: 110.236, 0.00397876/step Wall: 110.236, 0.00397876/step, 0.522102 hours remaining, 109.503906 MB of memory in use. ENERGY: 27600 645.3993 1885.4126 2008.7299 111.3578 -15.8377 -988.2634 171.7986 0.0000 2719.3259 6537.9229 300.3571 3818.5970 6569.7955 303.4158 PRESSURE: 27700 0 0 0 0 0 0 0 0 0 GPRESSURE: 27700 0 0 0 0 0 0 0 0 0 PRESSAVG: 27700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27700 0 0 0 0 0 0 0 0 0 TIMING: 27700 CPU: 110.633, 0.00396887/step Wall: 110.633, 0.00396887/step, 0.520694 hours remaining, 109.503906 MB of memory in use. ENERGY: 27700 694.9268 1897.8664 2000.9748 101.0955 -14.8517 -1005.6170 172.5443 0.0000 2670.3350 6517.2741 294.9459 3846.9391 6548.9590 300.6040 PRESSURE: 27800 0 0 0 0 0 0 0 0 0 GPRESSURE: 27800 0 0 0 0 0 0 0 0 0 PRESSAVG: 27800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27800 0 0 0 0 0 0 0 0 0 TIMING: 27800 CPU: 111.033, 0.00399903/step Wall: 111.033, 0.00399903/step, 0.524539 hours remaining, 109.507812 MB of memory in use. ENERGY: 27800 659.4157 1895.1809 2035.3759 95.6798 -14.2899 -1058.3327 167.1430 0.0000 2724.2339 6504.4067 300.8992 3780.1727 6539.2011 300.9566 PRESSURE: 27900 0 0 0 0 0 0 0 0 0 GPRESSURE: 27900 0 0 0 0 0 0 0 0 0 PRESSAVG: 27900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27900 0 0 0 0 0 0 0 0 0 TIMING: 27900 CPU: 111.43, 0.00397157/step Wall: 111.43, 0.00397157/step, 0.520827 hours remaining, 109.507812 MB of memory in use. ENERGY: 27900 646.9014 1825.1124 2025.3944 101.8962 -13.8646 -1023.5898 184.2395 0.0000 2800.1208 6546.2103 309.2811 3746.0895 6585.6459 300.9544 PRESSURE: 28000 0 0 0 0 0 0 0 0 0 GPRESSURE: 28000 0 0 0 0 0 0 0 0 0 PRESSAVG: 28000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28000 0 0 0 0 0 0 0 0 0 TIMING: 28000 CPU: 111.827, 0.00397071/step Wall: 111.827, 0.00397071/step, 0.520604 hours remaining, 109.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 28000 634.0667 2004.0108 1991.0282 113.0856 -13.7366 -1025.7886 166.7791 0.0000 2675.1785 6544.6237 295.4809 3869.4451 6579.0213 300.5897 PRESSURE: 28100 0 0 0 0 0 0 0 0 0 GPRESSURE: 28100 0 0 0 0 0 0 0 0 0 PRESSAVG: 28100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28100 0 0 0 0 0 0 0 0 0 TIMING: 28100 CPU: 112.225, 0.00397869/step Wall: 112.225, 0.00397869/step, 0.52154 hours remaining, 109.507812 MB of memory in use. ENERGY: 28100 660.1857 1899.7952 2038.6161 105.0041 -15.3934 -1033.0530 169.5838 0.0000 2669.3522 6494.0907 294.8374 3824.7385 6525.7906 301.1101 PRESSURE: 28200 0 0 0 0 0 0 0 0 0 GPRESSURE: 28200 0 0 0 0 0 0 0 0 0 PRESSAVG: 28200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28200 0 0 0 0 0 0 0 0 0 TIMING: 28200 CPU: 112.622, 0.00397181/step Wall: 112.622, 0.00397181/step, 0.520528 hours remaining, 109.507812 MB of memory in use. ENERGY: 28200 663.4965 1878.4817 1982.6230 115.4950 -14.8685 -1035.9256 154.2430 0.0000 2749.4394 6492.9843 303.6832 3743.5450 6527.0496 299.4344 LDB: ============= START OF LOAD BALANCING ============== 115.397 LDB: ============== END OF LOAD BALANCING =============== 115.397 LDB: =============== DONE WITH MIGRATION ================ 115.397 PRESSURE: 28300 0 0 0 0 0 0 0 0 0 GPRESSURE: 28300 0 0 0 0 0 0 0 0 0 PRESSAVG: 28300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28300 0 0 0 0 0 0 0 0 0 TIMING: 28300 CPU: 113.02, 0.00397941/step Wall: 113.02, 0.00397941/step, 0.521413 hours remaining, 109.507812 MB of memory in use. ENERGY: 28300 658.3295 1872.8972 2013.0880 106.9294 -14.7425 -1031.3327 162.0104 0.0000 2739.5651 6506.7444 302.5926 3767.1793 6540.9295 300.0207 LDB: ============= START OF LOAD BALANCING ============== 115.796 LDB: ============== END OF LOAD BALANCING =============== 115.796 LDB: =============== DONE WITH MIGRATION ================ 115.796 PRESSURE: 28400 0 0 0 0 0 0 0 0 0 GPRESSURE: 28400 0 0 0 0 0 0 0 0 0 PRESSAVG: 28400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28400 0 0 0 0 0 0 0 0 0 TIMING: 28400 CPU: 113.418, 0.00398242/step Wall: 113.418, 0.00398242/step, 0.521697 hours remaining, 109.507812 MB of memory in use. ENERGY: 28400 667.5795 1907.9723 2029.6121 103.8751 -15.0450 -1054.2014 174.7106 0.0000 2698.7565 6513.2597 298.0852 3814.5032 6544.2616 301.6878 PRESSURE: 28500 0 0 0 0 0 0 0 0 0 GPRESSURE: 28500 0 0 0 0 0 0 0 0 0 PRESSAVG: 28500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28500 0 0 0 0 0 0 0 0 0 TIMING: 28500 CPU: 113.815, 0.00397177/step Wall: 113.815, 0.00397177/step, 0.520192 hours remaining, 109.507812 MB of memory in use. ENERGY: 28500 642.8555 1847.0197 1977.2823 107.2532 -14.6672 -1006.9437 154.6294 0.0000 2777.6308 6485.0601 306.7971 3707.4294 6520.6454 299.9035 PRESSURE: 28600 0 0 0 0 0 0 0 0 0 GPRESSURE: 28600 0 0 0 0 0 0 0 0 0 PRESSAVG: 28600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28600 0 0 0 0 0 0 0 0 0 TIMING: 28600 CPU: 114.213, 0.00397874/step Wall: 114.213, 0.00397874/step, 0.520994 hours remaining, 109.507812 MB of memory in use. ENERGY: 28600 660.0721 1884.8709 2010.7291 108.3867 -14.1450 -1066.7441 177.6893 0.0000 2752.0020 6512.8612 303.9663 3760.8592 6546.9931 301.4069 PRESSURE: 28700 0 0 0 0 0 0 0 0 0 GPRESSURE: 28700 0 0 0 0 0 0 0 0 0 PRESSAVG: 28700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28700 0 0 0 0 0 0 0 0 0 TIMING: 28700 CPU: 114.61, 0.00397264/step Wall: 114.61, 0.00397263/step, 0.520084 hours remaining, 109.507812 MB of memory in use. ENERGY: 28700 651.3319 1910.1014 2042.4749 102.6770 -14.6068 -1027.8264 165.7231 0.0000 2657.4302 6487.3054 293.5206 3829.8752 6516.5691 300.0474 PRESSURE: 28800 0 0 0 0 0 0 0 0 0 GPRESSURE: 28800 0 0 0 0 0 0 0 0 0 PRESSAVG: 28800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28800 0 0 0 0 0 0 0 0 0 TIMING: 28800 CPU: 115.007, 0.00397138/step Wall: 115.007, 0.00397139/step, 0.519811 hours remaining, 109.511719 MB of memory in use. ENERGY: 28800 639.3363 1906.4977 1978.2594 106.8970 -15.7138 -1032.0098 150.3059 0.0000 2729.2635 6462.8362 301.4548 3733.5727 6495.6264 298.9848 PRESSURE: 28900 0 0 0 0 0 0 0 0 0 GPRESSURE: 28900 0 0 0 0 0 0 0 0 0 PRESSAVG: 28900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 28900 0 0 0 0 0 0 0 0 0 TIMING: 28900 CPU: 115.406, 0.0039815/step Wall: 115.406, 0.0039815/step, 0.521023 hours remaining, 109.511719 MB of memory in use. ENERGY: 28900 671.8897 1822.7481 2032.9210 102.4546 -15.3300 -1064.5994 165.6034 0.0000 2704.9678 6420.6552 298.7712 3715.6874 6453.1135 298.1175 PRESSURE: 29000 0 0 0 0 0 0 0 0 0 GPRESSURE: 29000 0 0 0 0 0 0 0 0 0 PRESSAVG: 29000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29000 0 0 0 0 0 0 0 0 0 TIMING: 29000 CPU: 115.803, 0.00397246/step Wall: 115.803, 0.00397246/step, 0.51973 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 29000 659.4225 1902.6166 1988.0723 115.8778 -13.9139 -1071.0464 174.4090 0.0000 2697.8519 6453.2898 297.9853 3755.4379 6486.9343 298.0358 PRESSURE: 29100 0 0 0 0 0 0 0 0 0 GPRESSURE: 29100 0 0 0 0 0 0 0 0 0 PRESSAVG: 29100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29100 0 0 0 0 0 0 0 0 0 TIMING: 29100 CPU: 116.201, 0.00397865/step Wall: 116.201, 0.00397864/step, 0.520428 hours remaining, 109.511719 MB of memory in use. ENERGY: 29100 668.8449 1912.9593 2031.0710 107.3706 -15.3436 -1077.7033 161.7349 0.0000 2666.4257 6455.3595 294.5141 3788.9337 6485.3095 298.3442 PRESSURE: 29200 0 0 0 0 0 0 0 0 0 GPRESSURE: 29200 0 0 0 0 0 0 0 0 0 PRESSAVG: 29200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29200 0 0 0 0 0 0 0 0 0 TIMING: 29200 CPU: 116.598, 0.00397344/step Wall: 116.598, 0.00397345/step, 0.519639 hours remaining, 109.511719 MB of memory in use. ENERGY: 29200 643.7783 1925.1037 1987.5102 90.2625 -14.2658 -1053.7557 169.9995 0.0000 2733.9686 6482.6013 301.9744 3748.6327 6517.9733 299.7385 PRESSURE: 29300 0 0 0 0 0 0 0 0 0 GPRESSURE: 29300 0 0 0 0 0 0 0 0 0 PRESSAVG: 29300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29300 0 0 0 0 0 0 0 0 0 TIMING: 29300 CPU: 116.996, 0.00397648/step Wall: 116.996, 0.00397647/step, 0.519923 hours remaining, 109.511719 MB of memory in use. ENERGY: 29300 680.8863 1896.9629 2000.1499 122.3983 -14.6682 -1057.2833 157.5153 0.0000 2663.8577 6449.8189 294.2305 3785.9612 6481.7141 298.2039 PRESSURE: 29400 0 0 0 0 0 0 0 0 0 GPRESSURE: 29400 0 0 0 0 0 0 0 0 0 PRESSAVG: 29400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29400 0 0 0 0 0 0 0 0 0 TIMING: 29400 CPU: 117.394, 0.00398246/step Wall: 117.394, 0.00398247/step, 0.520597 hours remaining, 109.511719 MB of memory in use. ENERGY: 29400 659.5940 1861.2626 1998.5812 96.0535 -14.4081 -1020.5059 160.2038 0.0000 2735.7300 6476.5111 302.1690 3740.7810 6511.5045 299.2803 PRESSURE: 29500 0 0 0 0 0 0 0 0 0 GPRESSURE: 29500 0 0 0 0 0 0 0 0 0 PRESSAVG: 29500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29500 0 0 0 0 0 0 0 0 0 TIMING: 29500 CPU: 117.791, 0.00397319/step Wall: 117.791, 0.00397319/step, 0.519274 hours remaining, 109.511719 MB of memory in use. ENERGY: 29500 676.9145 1891.7303 1995.6292 108.2977 -13.5208 -1062.8053 179.8555 0.0000 2716.4106 6492.5117 300.0351 3776.1011 6527.4956 299.5780 PRESSURE: 29600 0 0 0 0 0 0 0 0 0 GPRESSURE: 29600 0 0 0 0 0 0 0 0 0 PRESSAVG: 29600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29600 0 0 0 0 0 0 0 0 0 TIMING: 29600 CPU: 118.189, 0.00398007/step Wall: 118.189, 0.00398007/step, 0.520062 hours remaining, 109.511719 MB of memory in use. ENERGY: 29600 643.3853 1874.2390 2048.4964 113.9825 -14.4089 -1038.9773 167.7715 0.0000 2719.6893 6514.1777 300.3973 3794.4884 6548.5353 299.8909 PRESSURE: 29700 0 0 0 0 0 0 0 0 0 GPRESSURE: 29700 0 0 0 0 0 0 0 0 0 PRESSAVG: 29700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29700 0 0 0 0 0 0 0 0 0 TIMING: 29700 CPU: 118.587, 0.0039736/step Wall: 118.587, 0.0039736/step, 0.519107 hours remaining, 109.511719 MB of memory in use. ENERGY: 29700 649.9226 1882.6028 2005.0844 87.6998 -13.9489 -1027.3297 167.3705 0.0000 2751.8159 6503.2173 303.9457 3751.4014 6538.7936 301.7221 PRESSURE: 29800 0 0 0 0 0 0 0 0 0 GPRESSURE: 29800 0 0 0 0 0 0 0 0 0 PRESSAVG: 29800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29800 0 0 0 0 0 0 0 0 0 TIMING: 29800 CPU: 118.984, 0.00397218/step Wall: 118.984, 0.00397218/step, 0.518811 hours remaining, 109.511719 MB of memory in use. ENERGY: 29800 621.2305 1895.5592 2006.5488 118.3169 -14.8448 -1048.7026 159.2201 0.0000 2736.5208 6473.8488 302.2563 3737.3280 6508.9812 299.3811 PRESSURE: 29900 0 0 0 0 0 0 0 0 0 GPRESSURE: 29900 0 0 0 0 0 0 0 0 0 PRESSAVG: 29900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29900 0 0 0 0 0 0 0 0 0 TIMING: 29900 CPU: 119.382, 0.00398366/step Wall: 119.382, 0.00398366/step, 0.5202 hours remaining, 109.511719 MB of memory in use. ENERGY: 29900 629.7257 1914.7851 2020.3519 104.1284 -14.1684 -1091.1560 167.6601 0.0000 2722.2103 6453.5371 300.6757 3731.3268 6488.7048 299.4816 PRESSURE: 30000 0 0 0 0 0 0 0 0 0 GPRESSURE: 30000 0 0 0 0 0 0 0 0 0 PRESSAVG: 30000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30000 0 0 0 0 0 0 0 0 0 TIMING: 30000 CPU: 119.779, 0.00397219/step Wall: 119.779, 0.00397219/step, 0.518591 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 30000 644.4791 1896.7806 2013.8074 102.9719 -16.1976 -1067.2386 162.5196 0.0000 2735.1781 6472.3006 302.1080 3737.1224 6505.7784 296.8335 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 30000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 30000 WRITING COORDINATES TO RESTART FILE AT STEP 30000 FINISHED WRITING RESTART COORDINATES The last position output (seq=30000) takes 0.011 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 30000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=30000) takes 0.010 seconds, 109.512 MB of memory in use PRESSURE: 30100 0 0 0 0 0 0 0 0 0 GPRESSURE: 30100 0 0 0 0 0 0 0 0 0 PRESSAVG: 30100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30100 0 0 0 0 0 0 0 0 0 TIMING: 30100 CPU: 120.213, 0.00433766/step Wall: 120.213, 0.00433766/step, 0.566185 hours remaining, 109.511719 MB of memory in use. ENERGY: 30100 674.7587 1879.1539 2022.5012 101.2630 -15.0127 -1072.0627 175.1129 0.0000 2722.0783 6487.7926 300.6611 3765.7143 6522.6652 299.7087 PRESSURE: 30200 0 0 0 0 0 0 0 0 0 GPRESSURE: 30200 0 0 0 0 0 0 0 0 0 PRESSAVG: 30200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30200 0 0 0 0 0 0 0 0 0 TIMING: 30200 CPU: 120.611, 0.00397415/step Wall: 120.611, 0.00397415/step, 0.518626 hours remaining, 109.511719 MB of memory in use. ENERGY: 30200 653.6698 1920.6385 1991.8745 108.9911 -15.9824 -1055.6025 174.1910 0.0000 2657.1811 6434.9610 293.4931 3777.7799 6466.3504 297.4991 PRESSURE: 30300 0 0 0 0 0 0 0 0 0 GPRESSURE: 30300 0 0 0 0 0 0 0 0 0 PRESSAVG: 30300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30300 0 0 0 0 0 0 0 0 0 TIMING: 30300 CPU: 121.008, 0.00397218/step Wall: 121.008, 0.00397218/step, 0.518259 hours remaining, 109.511719 MB of memory in use. ENERGY: 30300 630.5312 1922.5621 1980.7539 108.4190 -15.2014 -1029.2408 147.9170 0.0000 2654.1971 6399.9381 293.1635 3745.7410 6430.6616 295.8641 PRESSURE: 30400 0 0 0 0 0 0 0 0 0 GPRESSURE: 30400 0 0 0 0 0 0 0 0 0 PRESSAVG: 30400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30400 0 0 0 0 0 0 0 0 0 TIMING: 30400 CPU: 121.406, 0.00398114/step Wall: 121.406, 0.00398114/step, 0.519318 hours remaining, 109.511719 MB of memory in use. ENERGY: 30400 623.8765 1863.8846 2019.1206 102.0145 -15.3089 -1035.1362 162.3269 0.0000 2684.8193 6405.5972 296.5458 3720.7779 6437.4763 296.9011 PRESSURE: 30500 0 0 0 0 0 0 0 0 0 GPRESSURE: 30500 0 0 0 0 0 0 0 0 0 PRESSAVG: 30500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30500 0 0 0 0 0 0 0 0 0 TIMING: 30500 CPU: 121.803, 0.00397281/step Wall: 121.803, 0.00397281/step, 0.518121 hours remaining, 109.511719 MB of memory in use. ENERGY: 30500 639.9888 1889.3006 2019.4712 106.4850 -15.3327 -1015.4623 162.9685 0.0000 2658.1031 6445.5223 293.5949 3787.4192 6475.9787 297.0155 PRESSURE: 30600 0 0 0 0 0 0 0 0 0 GPRESSURE: 30600 0 0 0 0 0 0 0 0 0 PRESSAVG: 30600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30600 0 0 0 0 0 0 0 0 0 TIMING: 30600 CPU: 122.201, 0.00398075/step Wall: 122.201, 0.00398075/step, 0.519045 hours remaining, 109.511719 MB of memory in use. ENERGY: 30600 675.6559 1914.2004 2032.7546 121.3794 -14.6747 -1054.2533 159.1104 0.0000 2636.8661 6471.0387 291.2492 3834.1727 6501.5443 297.2840 PRESSURE: 30700 0 0 0 0 0 0 0 0 0 GPRESSURE: 30700 0 0 0 0 0 0 0 0 0 PRESSAVG: 30700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30700 0 0 0 0 0 0 0 0 0 TIMING: 30700 CPU: 122.599, 0.00397189/step Wall: 122.599, 0.00397189/step, 0.51778 hours remaining, 109.511719 MB of memory in use. ENERGY: 30700 636.2602 1876.4255 2004.2027 101.7489 -14.5625 -1044.3184 165.2177 0.0000 2760.3737 6485.3478 304.8910 3724.9741 6518.7023 299.7176 PRESSURE: 30800 0 0 0 0 0 0 0 0 0 GPRESSURE: 30800 0 0 0 0 0 0 0 0 0 PRESSAVG: 30800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30800 0 0 0 0 0 0 0 0 0 TIMING: 30800 CPU: 122.996, 0.00397235/step Wall: 122.996, 0.00397235/step, 0.51773 hours remaining, 109.511719 MB of memory in use. ENERGY: 30800 661.9956 1922.1201 2003.1032 103.7330 -14.6417 -1058.3710 150.5864 0.0000 2722.6651 6491.1906 300.7259 3768.5256 6521.9333 300.0320 PRESSURE: 30900 0 0 0 0 0 0 0 0 0 GPRESSURE: 30900 0 0 0 0 0 0 0 0 0 PRESSAVG: 30900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30900 0 0 0 0 0 0 0 0 0 TIMING: 30900 CPU: 123.394, 0.00398401/step Wall: 123.394, 0.003984/step, 0.519137 hours remaining, 109.511719 MB of memory in use. ENERGY: 30900 669.3072 1839.6682 2011.9261 108.5118 -14.9854 -1045.7408 162.7321 0.0000 2755.4490 6486.8683 304.3470 3731.4192 6518.9900 300.7827 PRESSURE: 31000 0 0 0 0 0 0 0 0 0 GPRESSURE: 31000 0 0 0 0 0 0 0 0 0 PRESSAVG: 31000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31000 0 0 0 0 0 0 0 0 0 TIMING: 31000 CPU: 123.791, 0.00397005/step Wall: 123.791, 0.00397006/step, 0.51721 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 31000 660.8969 1909.4938 2024.4075 102.4723 -15.8311 -1063.3350 170.0249 0.0000 2742.9970 6531.1264 302.9717 3788.1294 6566.0463 300.5280 PRESSURE: 31100 0 0 0 0 0 0 0 0 0 GPRESSURE: 31100 0 0 0 0 0 0 0 0 0 PRESSAVG: 31100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31100 0 0 0 0 0 0 0 0 0 TIMING: 31100 CPU: 124.189, 0.00398252/step Wall: 124.189, 0.00398252/step, 0.518723 hours remaining, 109.511719 MB of memory in use. ENERGY: 31100 663.1366 1879.8647 2026.3114 101.9796 -15.0162 -1040.8935 180.8783 0.0000 2728.1034 6524.3643 301.3266 3796.2609 6558.1552 301.1772 PRESSURE: 31200 0 0 0 0 0 0 0 0 0 GPRESSURE: 31200 0 0 0 0 0 0 0 0 0 PRESSAVG: 31200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31200 0 0 0 0 0 0 0 0 0 TIMING: 31200 CPU: 124.587, 0.00397406/step Wall: 124.587, 0.00397406/step, 0.517511 hours remaining, 109.511719 MB of memory in use. ENERGY: 31200 647.2439 1913.2180 2010.2360 111.6105 -15.1641 -1035.2980 158.3562 0.0000 2724.5714 6514.7738 300.9365 3790.2024 6548.6808 299.3892 PRESSURE: 31300 0 0 0 0 0 0 0 0 0 GPRESSURE: 31300 0 0 0 0 0 0 0 0 0 PRESSAVG: 31300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31300 0 0 0 0 0 0 0 0 0 TIMING: 31300 CPU: 124.984, 0.00397179/step Wall: 124.984, 0.00397179/step, 0.517105 hours remaining, 109.511719 MB of memory in use. ENERGY: 31300 663.8162 1919.2143 2025.9354 97.3779 -14.8271 -1051.9802 153.7021 0.0000 2736.1716 6529.4102 302.2178 3793.2386 6567.4641 302.9071 PRESSURE: 31400 0 0 0 0 0 0 0 0 0 GPRESSURE: 31400 0 0 0 0 0 0 0 0 0 PRESSAVG: 31400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31400 0 0 0 0 0 0 0 0 0 TIMING: 31400 CPU: 125.382, 0.00398398/step Wall: 125.382, 0.00398398/step, 0.518582 hours remaining, 109.511719 MB of memory in use. ENERGY: 31400 662.8806 1913.5081 2001.6938 107.6757 -14.5206 -1047.5106 165.5847 0.0000 2762.6482 6551.9599 305.1422 3789.3117 6587.2214 304.0365 PRESSURE: 31500 0 0 0 0 0 0 0 0 0 GPRESSURE: 31500 0 0 0 0 0 0 0 0 0 PRESSAVG: 31500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31500 0 0 0 0 0 0 0 0 0 TIMING: 31500 CPU: 125.78, 0.00397184/step Wall: 125.78, 0.00397184/step, 0.516891 hours remaining, 109.511719 MB of memory in use. ENERGY: 31500 614.3533 1892.9167 2023.4432 104.6553 -15.4071 -1021.0446 171.1640 0.0000 2757.2781 6527.3588 304.5490 3770.0807 6562.0486 303.1670 PRESSURE: 31600 0 0 0 0 0 0 0 0 0 GPRESSURE: 31600 0 0 0 0 0 0 0 0 0 PRESSAVG: 31600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31600 0 0 0 0 0 0 0 0 0 TIMING: 31600 CPU: 126.178, 0.00398184/step Wall: 126.178, 0.00398184/step, 0.518082 hours remaining, 109.511719 MB of memory in use. ENERGY: 31600 617.8732 1962.8719 2022.8991 116.2889 -14.9692 -1036.9817 162.7010 0.0000 2691.0475 6521.7308 297.2337 3830.6832 6553.7590 301.0770 PRESSURE: 31700 0 0 0 0 0 0 0 0 0 GPRESSURE: 31700 0 0 0 0 0 0 0 0 0 PRESSAVG: 31700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31700 0 0 0 0 0 0 0 0 0 TIMING: 31700 CPU: 126.575, 0.00397237/step Wall: 126.575, 0.00397237/step, 0.516739 hours remaining, 109.511719 MB of memory in use. ENERGY: 31700 634.3873 1890.8937 2029.0055 104.2094 -16.6558 -1044.3379 163.5191 0.0000 2745.8386 6506.8600 303.2855 3761.0214 6541.3961 301.3926 PRESSURE: 31800 0 0 0 0 0 0 0 0 0 GPRESSURE: 31800 0 0 0 0 0 0 0 0 0 PRESSAVG: 31800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31800 0 0 0 0 0 0 0 0 0 TIMING: 31800 CPU: 126.972, 0.00397253/step Wall: 126.972, 0.00397253/step, 0.51665 hours remaining, 109.511719 MB of memory in use. ENERGY: 31800 638.0559 1895.2136 2035.9838 110.9250 -13.3618 -1072.4711 180.3933 0.0000 2749.2357 6523.9745 303.6607 3774.7387 6556.6018 300.8962 PRESSURE: 31900 0 0 0 0 0 0 0 0 0 GPRESSURE: 31900 0 0 0 0 0 0 0 0 0 PRESSAVG: 31900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31900 0 0 0 0 0 0 0 0 0 TIMING: 31900 CPU: 127.371, 0.0039845/step Wall: 127.371, 0.0039845/step, 0.518096 hours remaining, 109.511719 MB of memory in use. ENERGY: 31900 678.6024 1923.6831 2008.9194 99.6106 -14.9989 -1014.4191 159.5036 0.0000 2686.5163 6527.4175 296.7332 3840.9011 6559.4954 300.8167 PRESSURE: 32000 0 0 0 0 0 0 0 0 0 GPRESSURE: 32000 0 0 0 0 0 0 0 0 0 PRESSAVG: 32000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32000 0 0 0 0 0 0 0 0 0 TIMING: 32000 CPU: 127.768, 0.00397209/step Wall: 127.768, 0.00397209/step, 0.516372 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 32000 690.0412 1881.8056 2038.7093 109.2733 -13.5715 -1073.5466 171.3592 0.0000 2708.1616 6512.2320 299.1240 3804.0704 6545.6915 300.9157 PRESSURE: 32100 0 0 0 0 0 0 0 0 0 GPRESSURE: 32100 0 0 0 0 0 0 0 0 0 PRESSAVG: 32100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32100 0 0 0 0 0 0 0 0 0 TIMING: 32100 CPU: 128.166, 0.00398185/step Wall: 128.166, 0.00398185/step, 0.51753 hours remaining, 109.511719 MB of memory in use. ENERGY: 32100 631.5388 1895.8860 2014.2359 109.4991 -14.2837 -1015.7040 153.6882 0.0000 2733.6862 6508.5464 301.9433 3774.8602 6540.8673 301.5472 PRESSURE: 32200 0 0 0 0 0 0 0 0 0 GPRESSURE: 32200 0 0 0 0 0 0 0 0 0 PRESSAVG: 32200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32200 0 0 0 0 0 0 0 0 0 TIMING: 32200 CPU: 128.563, 0.00397383/step Wall: 128.563, 0.00397383/step, 0.516377 hours remaining, 109.511719 MB of memory in use. ENERGY: 32200 682.2249 1884.0756 2002.8798 99.0783 -13.5789 -1036.5091 165.0941 0.0000 2715.5062 6498.7709 299.9352 3783.2647 6531.2661 299.8894 LDB: ============= START OF LOAD BALANCING ============== 131.338 LDB: ============== END OF LOAD BALANCING =============== 131.338 LDB: =============== DONE WITH MIGRATION ================ 131.338 PRESSURE: 32300 0 0 0 0 0 0 0 0 0 GPRESSURE: 32300 0 0 0 0 0 0 0 0 0 PRESSAVG: 32300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32300 0 0 0 0 0 0 0 0 0 TIMING: 32300 CPU: 128.961, 0.00397272/step Wall: 128.961, 0.00397272/step, 0.516123 hours remaining, 109.511719 MB of memory in use. ENERGY: 32300 655.9269 1883.7851 2010.0251 100.3665 -15.2957 -1025.6076 157.2446 0.0000 2697.6191 6464.0639 297.9595 3766.4448 6496.2135 298.5604 LDB: ============= START OF LOAD BALANCING ============== 131.738 LDB: ============== END OF LOAD BALANCING =============== 131.738 LDB: =============== DONE WITH MIGRATION ================ 131.738 PRESSURE: 32400 0 0 0 0 0 0 0 0 0 GPRESSURE: 32400 0 0 0 0 0 0 0 0 0 PRESSAVG: 32400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32400 0 0 0 0 0 0 0 0 0 TIMING: 32400 CPU: 129.36, 0.0039926/step Wall: 129.36, 0.0039926/step, 0.518594 hours remaining, 109.511719 MB of memory in use. ENERGY: 32400 665.4050 1894.2141 1999.0475 112.4049 -14.8255 -1081.2919 170.1652 0.0000 2726.3979 6471.5171 301.1382 3745.1192 6503.8813 298.9292 PRESSURE: 32500 0 0 0 0 0 0 0 0 0 GPRESSURE: 32500 0 0 0 0 0 0 0 0 0 PRESSAVG: 32500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32500 0 0 0 0 0 0 0 0 0 TIMING: 32500 CPU: 129.757, 0.00397065/step Wall: 129.757, 0.00397065/step, 0.515633 hours remaining, 109.511719 MB of memory in use. ENERGY: 32500 643.9502 1847.0503 2052.7184 114.2045 -13.9107 -1066.8077 176.5039 0.0000 2700.5958 6454.3047 298.2883 3753.7089 6484.8615 299.0026 PRESSURE: 32600 0 0 0 0 0 0 0 0 0 GPRESSURE: 32600 0 0 0 0 0 0 0 0 0 PRESSAVG: 32600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32600 0 0 0 0 0 0 0 0 0 TIMING: 32600 CPU: 130.155, 0.00398371/step Wall: 130.155, 0.00398371/step, 0.517218 hours remaining, 109.511719 MB of memory in use. ENERGY: 32600 623.9162 1917.5113 1997.0934 111.8410 -14.5930 -1020.9055 168.5161 0.0000 2703.4913 6486.8707 298.6081 3783.3795 6517.1010 298.3584 PRESSURE: 32700 0 0 0 0 0 0 0 0 0 GPRESSURE: 32700 0 0 0 0 0 0 0 0 0 PRESSAVG: 32700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32700 0 0 0 0 0 0 0 0 0 TIMING: 32700 CPU: 130.555, 0.00399305/step Wall: 130.555, 0.00399305/step, 0.51832 hours remaining, 109.511719 MB of memory in use. ENERGY: 32700 677.9046 1892.2151 2008.8315 96.3780 -14.1130 -1042.1082 164.7626 0.0000 2696.4605 6480.3311 297.8316 3783.8706 6512.0993 299.6631 PRESSURE: 32800 0 0 0 0 0 0 0 0 0 GPRESSURE: 32800 0 0 0 0 0 0 0 0 0 PRESSAVG: 32800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32800 0 0 0 0 0 0 0 0 0 TIMING: 32800 CPU: 130.953, 0.00397928/step Wall: 130.953, 0.00397928/step, 0.516422 hours remaining, 109.511719 MB of memory in use. ENERGY: 32800 658.3725 1895.1871 2019.8687 114.5014 -13.2419 -1025.6013 180.8901 0.0000 2694.7531 6524.7297 297.6430 3829.9766 6554.3908 300.9435 PRESSURE: 32900 0 0 0 0 0 0 0 0 0 GPRESSURE: 32900 0 0 0 0 0 0 0 0 0 PRESSAVG: 32900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32900 0 0 0 0 0 0 0 0 0 TIMING: 32900 CPU: 131.352, 0.00398988/step Wall: 131.352, 0.00398988/step, 0.517687 hours remaining, 109.511719 MB of memory in use. ENERGY: 32900 629.0038 1894.2288 2039.2203 109.3287 -15.7160 -1038.4590 149.2828 0.0000 2764.4034 6531.2927 305.3361 3766.8893 6564.9617 302.6245 PRESSURE: 33000 0 0 0 0 0 0 0 0 0 GPRESSURE: 33000 0 0 0 0 0 0 0 0 0 PRESSAVG: 33000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33000 0 0 0 0 0 0 0 0 0 TIMING: 33000 CPU: 131.75, 0.00397944/step Wall: 131.75, 0.00397944/step, 0.516222 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 33000 653.7492 1886.8366 2015.7258 115.4218 -14.5387 -1029.9882 152.5784 0.0000 2711.5224 6491.3072 299.4952 3779.7848 6524.8959 300.5580 PRESSURE: 33100 0 0 0 0 0 0 0 0 0 GPRESSURE: 33100 0 0 0 0 0 0 0 0 0 PRESSAVG: 33100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33100 0 0 0 0 0 0 0 0 0 TIMING: 33100 CPU: 132.148, 0.00398481/step Wall: 132.148, 0.00398481/step, 0.516808 hours remaining, 109.511719 MB of memory in use. ENERGY: 33100 662.2656 1872.1091 2034.3034 105.9654 -13.4462 -1044.7574 168.9538 0.0000 2730.8134 6516.2070 301.6259 3785.3937 6549.6602 300.4755 PRESSURE: 33200 0 0 0 0 0 0 0 0 0 GPRESSURE: 33200 0 0 0 0 0 0 0 0 0 PRESSAVG: 33200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33200 0 0 0 0 0 0 0 0 0 TIMING: 33200 CPU: 132.545, 0.00397368/step Wall: 132.545, 0.00397368/step, 0.515254 hours remaining, 109.511719 MB of memory in use. ENERGY: 33200 667.7260 1934.3729 2007.2485 116.1656 -14.5065 -1041.0304 170.1712 0.0000 2655.1702 6495.3175 293.2709 3840.1473 6525.8441 300.4464 PRESSURE: 33300 0 0 0 0 0 0 0 0 0 GPRESSURE: 33300 0 0 0 0 0 0 0 0 0 PRESSAVG: 33300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33300 0 0 0 0 0 0 0 0 0 TIMING: 33300 CPU: 132.943, 0.0039712/step Wall: 132.943, 0.0039712/step, 0.514822 hours remaining, 109.511719 MB of memory in use. ENERGY: 33300 659.3114 1870.3991 2041.2066 112.9065 -14.4210 -1045.6930 164.7791 0.0000 2694.0402 6482.5289 297.5642 3788.4887 6515.1363 300.5191 PRESSURE: 33400 0 0 0 0 0 0 0 0 0 GPRESSURE: 33400 0 0 0 0 0 0 0 0 0 PRESSAVG: 33400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33400 0 0 0 0 0 0 0 0 0 TIMING: 33400 CPU: 133.341, 0.00398338/step Wall: 133.341, 0.00398338/step, 0.51629 hours remaining, 109.511719 MB of memory in use. ENERGY: 33400 663.7511 1875.9706 2009.7462 103.5725 -13.4907 -1024.5242 168.3584 0.0000 2722.8169 6506.2009 300.7427 3783.3840 6541.0886 298.9056 PRESSURE: 33500 0 0 0 0 0 0 0 0 0 GPRESSURE: 33500 0 0 0 0 0 0 0 0 0 PRESSAVG: 33500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33500 0 0 0 0 0 0 0 0 0 TIMING: 33500 CPU: 133.738, 0.00397277/step Wall: 133.738, 0.00397277/step, 0.514805 hours remaining, 109.511719 MB of memory in use. ENERGY: 33500 654.6319 1888.1513 2003.6292 105.5914 -14.0583 -1034.1261 175.5139 0.0000 2686.4017 6465.7351 296.7206 3779.3334 6499.8094 299.1840 PRESSURE: 33600 0 0 0 0 0 0 0 0 0 GPRESSURE: 33600 0 0 0 0 0 0 0 0 0 PRESSAVG: 33600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33600 0 0 0 0 0 0 0 0 0 TIMING: 33600 CPU: 134.136, 0.00398153/step Wall: 134.136, 0.00398153/step, 0.515829 hours remaining, 109.511719 MB of memory in use. ENERGY: 33600 639.4242 1868.3273 2032.1513 104.8992 -14.3675 -1013.2623 167.9803 0.0000 2710.9317 6496.0842 299.4300 3785.1524 6529.5915 299.7736 PRESSURE: 33700 0 0 0 0 0 0 0 0 0 GPRESSURE: 33700 0 0 0 0 0 0 0 0 0 PRESSAVG: 33700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33700 0 0 0 0 0 0 0 0 0 TIMING: 33700 CPU: 134.534, 0.003974/step Wall: 134.534, 0.003974/step, 0.514744 hours remaining, 109.511719 MB of memory in use. ENERGY: 33700 653.0016 1930.6502 1993.0082 108.5768 -13.8264 -1045.1969 162.1298 0.0000 2714.6720 6503.0152 299.8431 3788.3433 6536.9824 299.1736 PRESSURE: 33800 0 0 0 0 0 0 0 0 0 GPRESSURE: 33800 0 0 0 0 0 0 0 0 0 PRESSAVG: 33800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33800 0 0 0 0 0 0 0 0 0 TIMING: 33800 CPU: 134.931, 0.00397093/step Wall: 134.931, 0.00397093/step, 0.514235 hours remaining, 109.511719 MB of memory in use. ENERGY: 33800 686.0088 1859.0054 2001.9880 101.7611 -13.6438 -1020.2757 169.1875 0.0000 2711.5881 6495.6194 299.5025 3784.0313 6528.4279 301.5417 PRESSURE: 33900 0 0 0 0 0 0 0 0 0 GPRESSURE: 33900 0 0 0 0 0 0 0 0 0 PRESSAVG: 33900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33900 0 0 0 0 0 0 0 0 0 TIMING: 33900 CPU: 135.329, 0.00398192/step Wall: 135.329, 0.00398192/step, 0.515548 hours remaining, 109.511719 MB of memory in use. ENERGY: 33900 679.1039 1860.5087 2025.6774 117.6388 -12.5841 -1024.5090 171.7010 0.0000 2701.0164 6518.5532 298.3348 3817.5368 6547.6678 300.1813 PRESSURE: 34000 0 0 0 0 0 0 0 0 0 GPRESSURE: 34000 0 0 0 0 0 0 0 0 0 PRESSAVG: 34000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34000 0 0 0 0 0 0 0 0 0 TIMING: 34000 CPU: 135.726, 0.00397258/step Wall: 135.726, 0.00397258/step, 0.514228 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 34000 617.2501 1951.0241 2011.0818 100.8218 -14.2390 -1080.6474 167.1761 0.0000 2735.8222 6488.2897 302.1792 3752.4675 6522.3920 300.3808 PRESSURE: 34100 0 0 0 0 0 0 0 0 0 GPRESSURE: 34100 0 0 0 0 0 0 0 0 0 PRESSAVG: 34100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34100 0 0 0 0 0 0 0 0 0 TIMING: 34100 CPU: 136.124, 0.00398093/step Wall: 136.124, 0.00398093/step, 0.515199 hours remaining, 109.511719 MB of memory in use. ENERGY: 34100 667.2036 1889.5662 2018.4382 120.6821 -13.4575 -1025.9317 158.0559 0.0000 2697.3041 6511.8609 297.9248 3814.5568 6542.9844 300.0186 PRESSURE: 34200 0 0 0 0 0 0 0 0 0 GPRESSURE: 34200 0 0 0 0 0 0 0 0 0 PRESSAVG: 34200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34200 0 0 0 0 0 0 0 0 0 TIMING: 34200 CPU: 136.522, 0.00397264/step Wall: 136.522, 0.00397264/step, 0.514015 hours remaining, 109.511719 MB of memory in use. ENERGY: 34200 650.9387 1885.4174 2027.5440 107.9090 -14.2982 -1036.1043 178.3474 0.0000 2733.3663 6533.1202 301.9079 3799.7539 6567.2448 301.8276 PRESSURE: 34300 0 0 0 0 0 0 0 0 0 GPRESSURE: 34300 0 0 0 0 0 0 0 0 0 PRESSAVG: 34300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34300 0 0 0 0 0 0 0 0 0 TIMING: 34300 CPU: 136.919, 0.00397148/step Wall: 136.919, 0.00397147/step, 0.513754 hours remaining, 109.511719 MB of memory in use. ENERGY: 34300 696.3978 1920.9508 1986.2197 106.4729 -13.5366 -1035.9938 164.1592 0.0000 2706.7888 6531.4589 298.9724 3824.6701 6563.5404 302.4502 PRESSURE: 34400 0 0 0 0 0 0 0 0 0 GPRESSURE: 34400 0 0 0 0 0 0 0 0 0 PRESSAVG: 34400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34400 0 0 0 0 0 0 0 0 0 TIMING: 34400 CPU: 137.317, 0.00398144/step Wall: 137.317, 0.00398145/step, 0.514934 hours remaining, 109.511719 MB of memory in use. ENERGY: 34400 665.8563 1845.8832 2000.5128 114.5391 -14.8464 -1013.5380 162.4418 0.0000 2735.2485 6496.0973 302.1158 3760.8488 6529.2490 301.1693 PRESSURE: 34500 0 0 0 0 0 0 0 0 0 GPRESSURE: 34500 0 0 0 0 0 0 0 0 0 PRESSAVG: 34500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34500 0 0 0 0 0 0 0 0 0 TIMING: 34500 CPU: 137.714, 0.00397013/step Wall: 137.714, 0.00397013/step, 0.51336 hours remaining, 109.511719 MB of memory in use. ENERGY: 34500 678.1444 1902.3103 1997.2583 111.7293 -14.8090 -1048.0406 171.0382 0.0000 2682.8461 6480.4770 296.3278 3797.6309 6511.2515 299.0573 PRESSURE: 34600 0 0 0 0 0 0 0 0 0 GPRESSURE: 34600 0 0 0 0 0 0 0 0 0 PRESSAVG: 34600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34600 0 0 0 0 0 0 0 0 0 TIMING: 34600 CPU: 138.112, 0.00398146/step Wall: 138.112, 0.00398146/step, 0.514714 hours remaining, 109.511719 MB of memory in use. ENERGY: 34600 649.5212 1890.1905 1989.2316 98.0797 -14.5699 -1000.8173 162.9950 0.0000 2702.6394 6477.2703 298.5141 3774.6308 6510.2547 298.9864 PRESSURE: 34700 0 0 0 0 0 0 0 0 0 GPRESSURE: 34700 0 0 0 0 0 0 0 0 0 PRESSAVG: 34700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34700 0 0 0 0 0 0 0 0 0 TIMING: 34700 CPU: 138.509, 0.00397225/step Wall: 138.509, 0.00397225/step, 0.513413 hours remaining, 109.511719 MB of memory in use. ENERGY: 34700 654.0389 1842.2888 1991.5346 117.5313 -14.1524 -1049.9381 160.7683 0.0000 2736.5739 6438.6454 302.2622 3702.0715 6474.2501 297.5890 PRESSURE: 34800 0 0 0 0 0 0 0 0 0 GPRESSURE: 34800 0 0 0 0 0 0 0 0 0 PRESSAVG: 34800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34800 0 0 0 0 0 0 0 0 0 TIMING: 34800 CPU: 138.907, 0.00397222/step Wall: 138.907, 0.00397222/step, 0.513299 hours remaining, 109.511719 MB of memory in use. ENERGY: 34800 657.8404 1890.1390 1990.7787 113.0743 -14.1501 -1074.7600 160.3021 0.0000 2704.3053 6427.5298 298.6981 3723.2245 6459.2851 297.4491 PRESSURE: 34900 0 0 0 0 0 0 0 0 0 GPRESSURE: 34900 0 0 0 0 0 0 0 0 0 PRESSAVG: 34900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34900 0 0 0 0 0 0 0 0 0 TIMING: 34900 CPU: 139.305, 0.00398654/step Wall: 139.305, 0.00398654/step, 0.515039 hours remaining, 109.511719 MB of memory in use. ENERGY: 34900 684.1244 1857.8824 1995.3625 107.5456 -13.6992 -1072.2154 174.7819 0.0000 2710.0596 6443.8419 299.3336 3733.7823 6477.6136 297.5133 PRESSURE: 35000 0 0 0 0 0 0 0 0 0 GPRESSURE: 35000 0 0 0 0 0 0 0 0 0 PRESSAVG: 35000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35000 0 0 0 0 0 0 0 0 0 TIMING: 35000 CPU: 139.702, 0.00397065/step Wall: 139.702, 0.00397064/step, 0.512874 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 35000 641.2261 1893.7617 2022.5914 115.6790 -13.7446 -1025.1396 170.3721 0.0000 2680.3033 6485.0493 296.0470 3804.7461 6516.9057 298.8701 PRESSURE: 35100 0 0 0 0 0 0 0 0 0 GPRESSURE: 35100 0 0 0 0 0 0 0 0 0 PRESSAVG: 35100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35100 0 0 0 0 0 0 0 0 0 TIMING: 35100 CPU: 140.1, 0.00398118/step Wall: 140.1, 0.00398119/step, 0.514126 hours remaining, 109.511719 MB of memory in use. ENERGY: 35100 669.0681 1851.1131 2022.6713 102.9877 -13.9968 -1049.0860 150.4435 0.0000 2733.7355 6466.9364 301.9487 3733.2009 6500.5865 299.0742 PRESSURE: 35200 0 0 0 0 0 0 0 0 0 GPRESSURE: 35200 0 0 0 0 0 0 0 0 0 PRESSAVG: 35200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35200 0 0 0 0 0 0 0 0 0 TIMING: 35200 CPU: 140.498, 0.00397156/step Wall: 140.498, 0.00397156/step, 0.512773 hours remaining, 109.511719 MB of memory in use. ENERGY: 35200 641.9012 1901.0119 2022.4962 105.7475 -14.7092 -1038.4246 162.6241 0.0000 2720.8496 6501.4968 300.5254 3780.6472 6534.9420 299.0531 PRESSURE: 35300 0 0 0 0 0 0 0 0 0 GPRESSURE: 35300 0 0 0 0 0 0 0 0 0 PRESSAVG: 35300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35300 0 0 0 0 0 0 0 0 0 TIMING: 35300 CPU: 140.895, 0.00396982/step Wall: 140.895, 0.00396982/step, 0.512438 hours remaining, 109.511719 MB of memory in use. ENERGY: 35300 649.8065 1852.1745 2029.3564 113.3627 -13.4564 -1045.6880 171.5602 0.0000 2729.3171 6486.4331 301.4607 3757.1159 6521.5255 300.8174 PRESSURE: 35400 0 0 0 0 0 0 0 0 0 GPRESSURE: 35400 0 0 0 0 0 0 0 0 0 PRESSAVG: 35400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35400 0 0 0 0 0 0 0 0 0 TIMING: 35400 CPU: 141.293, 0.00398396/step Wall: 141.293, 0.00398396/step, 0.514152 hours remaining, 109.511719 MB of memory in use. ENERGY: 35400 668.4239 1920.4840 1986.6790 105.1090 -15.0959 -1037.6316 167.0601 0.0000 2662.7267 6457.7551 294.1056 3795.0284 6490.9943 298.5430 PRESSURE: 35500 0 0 0 0 0 0 0 0 0 GPRESSURE: 35500 0 0 0 0 0 0 0 0 0 PRESSAVG: 35500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35500 0 0 0 0 0 0 0 0 0 TIMING: 35500 CPU: 141.69, 0.00397253/step Wall: 141.69, 0.00397253/step, 0.512567 hours remaining, 109.511719 MB of memory in use. ENERGY: 35500 655.7930 1884.3217 2010.4717 111.0705 -14.2195 -1047.4222 170.4146 0.0000 2658.8248 6429.2548 293.6746 3770.4300 6463.6085 298.1314 PRESSURE: 35600 0 0 0 0 0 0 0 0 0 GPRESSURE: 35600 0 0 0 0 0 0 0 0 0 PRESSAVG: 35600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35600 0 0 0 0 0 0 0 0 0 TIMING: 35600 CPU: 142.088, 0.00398149/step Wall: 142.088, 0.00398149/step, 0.513612 hours remaining, 109.511719 MB of memory in use. ENERGY: 35600 669.7240 1846.2978 2017.8572 105.8286 -14.5012 -1044.6633 154.2707 0.0000 2690.3630 6425.1768 297.1581 3734.8138 6458.0829 297.0080 PRESSURE: 35700 0 0 0 0 0 0 0 0 0 GPRESSURE: 35700 0 0 0 0 0 0 0 0 0 PRESSAVG: 35700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35700 0 0 0 0 0 0 0 0 0 TIMING: 35700 CPU: 142.486, 0.00397306/step Wall: 142.486, 0.00397306/step, 0.512414 hours remaining, 109.511719 MB of memory in use. ENERGY: 35700 644.8087 1851.8657 2008.9074 115.2704 -15.0520 -1058.5859 177.2007 0.0000 2732.7194 6457.1343 301.8365 3724.4149 6493.3115 296.8844 PRESSURE: 35800 0 0 0 0 0 0 0 0 0 GPRESSURE: 35800 0 0 0 0 0 0 0 0 0 PRESSAVG: 35800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35800 0 0 0 0 0 0 0 0 0 TIMING: 35800 CPU: 142.883, 0.00397117/step Wall: 142.883, 0.00397117/step, 0.51206 hours remaining, 109.511719 MB of memory in use. ENERGY: 35800 684.6566 1859.2864 2023.3441 96.6854 -14.1529 -1079.4665 165.6968 0.0000 2711.5935 6447.6433 299.5031 3736.0499 6480.4146 298.1028 PRESSURE: 35900 0 0 0 0 0 0 0 0 0 GPRESSURE: 35900 0 0 0 0 0 0 0 0 0 PRESSAVG: 35900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35900 0 0 0 0 0 0 0 0 0 TIMING: 35900 CPU: 143.281, 0.00398033/step Wall: 143.281, 0.00398033/step, 0.513131 hours remaining, 109.511719 MB of memory in use. ENERGY: 35900 646.8463 1890.0660 2010.1574 107.6457 -14.0268 -1039.4539 178.3564 0.0000 2682.4126 6462.0037 296.2799 3779.5911 6493.3236 298.1429 PRESSURE: 36000 0 0 0 0 0 0 0 0 0 GPRESSURE: 36000 0 0 0 0 0 0 0 0 0 PRESSAVG: 36000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36000 0 0 0 0 0 0 0 0 0 TIMING: 36000 CPU: 143.678, 0.00397183/step Wall: 143.678, 0.00397183/step, 0.511925 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 36000 662.5569 1861.1347 2017.1750 109.7994 -13.8884 -1062.9640 181.0622 0.0000 2668.8518 6423.7276 294.7821 3754.8758 6457.0260 296.1426 PRESSURE: 36100 0 0 0 0 0 0 0 0 0 GPRESSURE: 36100 0 0 0 0 0 0 0 0 0 PRESSAVG: 36100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36100 0 0 0 0 0 0 0 0 0 TIMING: 36100 CPU: 144.076, 0.00397857/step Wall: 144.076, 0.00397857/step, 0.512683 hours remaining, 109.511719 MB of memory in use. ENERGY: 36100 666.4679 1867.5267 2001.4538 104.2433 -13.6757 -1040.7215 169.0407 0.0000 2656.6960 6411.0311 293.4395 3754.3351 6443.4866 295.3879 PRESSURE: 36200 0 0 0 0 0 0 0 0 0 GPRESSURE: 36200 0 0 0 0 0 0 0 0 0 PRESSAVG: 36200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36200 0 0 0 0 0 0 0 0 0 TIMING: 36200 CPU: 144.473, 0.00397222/step Wall: 144.473, 0.00397222/step, 0.511754 hours remaining, 109.511719 MB of memory in use. ENERGY: 36200 641.8763 1873.7368 2027.3566 114.0332 -13.0278 -1044.6717 171.4487 0.0000 2653.7484 6424.5005 293.1139 3770.7521 6456.5348 296.4944 LDB: ============= START OF LOAD BALANCING ============== 147.248 LDB: ============== END OF LOAD BALANCING =============== 147.248 LDB: =============== DONE WITH MIGRATION ================ 147.248 PRESSURE: 36300 0 0 0 0 0 0 0 0 0 GPRESSURE: 36300 0 0 0 0 0 0 0 0 0 PRESSAVG: 36300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36300 0 0 0 0 0 0 0 0 0 TIMING: 36300 CPU: 144.87, 0.00397323/step Wall: 144.87, 0.00397323/step, 0.511774 hours remaining, 109.511719 MB of memory in use. ENERGY: 36300 635.9049 1872.5534 2014.2895 113.5883 -12.8191 -1036.5931 172.0290 0.0000 2679.6169 6438.5699 295.9711 3758.9530 6472.8502 296.4021 LDB: ============= START OF LOAD BALANCING ============== 147.647 LDB: ============== END OF LOAD BALANCING =============== 147.647 LDB: =============== DONE WITH MIGRATION ================ 147.647 PRESSURE: 36400 0 0 0 0 0 0 0 0 0 GPRESSURE: 36400 0 0 0 0 0 0 0 0 0 PRESSAVG: 36400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36400 0 0 0 0 0 0 0 0 0 TIMING: 36400 CPU: 145.269, 0.00398838/step Wall: 145.269, 0.00398838/step, 0.513615 hours remaining, 109.511719 MB of memory in use. ENERGY: 36400 636.4749 1860.5597 2001.2500 107.6574 -12.0686 -1046.8952 172.3080 0.0000 2689.2946 6408.5807 297.0401 3719.2861 6441.9699 296.7361 PRESSURE: 36500 0 0 0 0 0 0 0 0 0 GPRESSURE: 36500 0 0 0 0 0 0 0 0 0 PRESSAVG: 36500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36500 0 0 0 0 0 0 0 0 0 TIMING: 36500 CPU: 145.666, 0.00397055/step Wall: 145.666, 0.00397055/step, 0.511208 hours remaining, 109.511719 MB of memory in use. ENERGY: 36500 643.1326 1859.8655 1985.6270 99.5009 -13.1785 -995.2142 160.1004 0.0000 2720.7178 6460.5516 300.5109 3739.8337 6494.3816 296.1775 PRESSURE: 36600 0 0 0 0 0 0 0 0 0 GPRESSURE: 36600 0 0 0 0 0 0 0 0 0 PRESSAVG: 36600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36600 0 0 0 0 0 0 0 0 0 TIMING: 36600 CPU: 146.064, 0.00397355/step Wall: 146.064, 0.00397355/step, 0.511484 hours remaining, 109.511719 MB of memory in use. ENERGY: 36600 665.7310 1865.6796 2008.4935 112.1301 -12.7646 -1050.1786 174.2725 0.0000 2744.8247 6508.1882 303.1735 3763.3635 6542.9169 299.2606 PRESSURE: 36700 0 0 0 0 0 0 0 0 0 GPRESSURE: 36700 0 0 0 0 0 0 0 0 0 PRESSAVG: 36700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36700 0 0 0 0 0 0 0 0 0 TIMING: 36700 CPU: 146.462, 0.00397963/step Wall: 146.462, 0.00397963/step, 0.512156 hours remaining, 109.511719 MB of memory in use. ENERGY: 36700 649.7968 1951.0853 2021.4870 110.6288 -12.4488 -1023.0980 169.9565 0.0000 2663.0007 6530.4083 294.1358 3867.4075 6562.8262 300.6206 PRESSURE: 36800 0 0 0 0 0 0 0 0 0 GPRESSURE: 36800 0 0 0 0 0 0 0 0 0 PRESSAVG: 36800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36800 0 0 0 0 0 0 0 0 0 TIMING: 36800 CPU: 146.859, 0.00397014/step Wall: 146.859, 0.00397014/step, 0.510825 hours remaining, 109.511719 MB of memory in use. ENERGY: 36800 668.7414 1912.1468 2027.1496 101.4451 -12.2986 -1034.9576 166.2913 0.0000 2725.5858 6554.1037 301.0485 3828.5180 6587.8285 302.5084 PRESSURE: 36900 0 0 0 0 0 0 0 0 0 GPRESSURE: 36900 0 0 0 0 0 0 0 0 0 PRESSAVG: 36900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 36900 0 0 0 0 0 0 0 0 0 TIMING: 36900 CPU: 147.257, 0.00398059/step Wall: 147.257, 0.00398059/step, 0.512059 hours remaining, 109.511719 MB of memory in use. ENERGY: 36900 680.7898 1873.7338 2034.9342 105.4649 -12.6579 -1020.3838 167.0460 0.0000 2730.3987 6559.3257 301.5801 3828.9270 6591.3646 302.9197 PRESSURE: 37000 0 0 0 0 0 0 0 0 0 GPRESSURE: 37000 0 0 0 0 0 0 0 0 0 PRESSAVG: 37000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37000 0 0 0 0 0 0 0 0 0 TIMING: 37000 CPU: 147.654, 0.00397133/step Wall: 147.654, 0.00397133/step, 0.510757 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 37000 661.1660 1887.7518 2001.7397 110.3060 -12.3876 -1027.9971 159.3507 0.0000 2766.8747 6546.8044 305.6090 3779.9296 6579.1952 304.3821 PRESSURE: 37100 0 0 0 0 0 0 0 0 0 GPRESSURE: 37100 0 0 0 0 0 0 0 0 0 PRESSAVG: 37100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37100 0 0 0 0 0 0 0 0 0 TIMING: 37100 CPU: 148.051, 0.00397115/step Wall: 148.051, 0.00397115/step, 0.510624 hours remaining, 109.511719 MB of memory in use. ENERGY: 37100 669.7439 1917.1920 1994.0752 98.9560 -11.5901 -1036.4399 168.9224 0.0000 2740.6506 6541.5100 302.7125 3800.8595 6574.8964 302.3643 PRESSURE: 37200 0 0 0 0 0 0 0 0 0 GPRESSURE: 37200 0 0 0 0 0 0 0 0 0 PRESSAVG: 37200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37200 0 0 0 0 0 0 0 0 0 TIMING: 37200 CPU: 148.449, 0.00398175/step Wall: 148.449, 0.00398175/step, 0.511876 hours remaining, 109.511719 MB of memory in use. ENERGY: 37200 687.8638 1847.6327 2025.6792 101.5726 -11.3299 -1067.4155 177.2910 0.0000 2756.4447 6517.7386 304.4570 3761.2939 6553.8036 300.5114 PRESSURE: 37300 0 0 0 0 0 0 0 0 0 GPRESSURE: 37300 0 0 0 0 0 0 0 0 0 PRESSAVG: 37300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37300 0 0 0 0 0 0 0 0 0 TIMING: 37300 CPU: 148.846, 0.00397174/step Wall: 148.846, 0.00397174/step, 0.510479 hours remaining, 109.511719 MB of memory in use. ENERGY: 37300 658.4585 1922.7134 1991.8157 99.5195 -13.2628 -1061.0019 169.9716 0.0000 2761.6031 6529.8171 305.0268 3768.2140 6561.4039 302.9071 PRESSURE: 37400 0 0 0 0 0 0 0 0 0 GPRESSURE: 37400 0 0 0 0 0 0 0 0 0 PRESSAVG: 37400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37400 0 0 0 0 0 0 0 0 0 TIMING: 37400 CPU: 149.244, 0.00398134/step Wall: 149.244, 0.00398133/step, 0.511601 hours remaining, 109.511719 MB of memory in use. ENERGY: 37400 677.6981 1880.3368 1988.4842 99.5451 -13.8732 -1038.5545 176.5223 0.0000 2785.7898 6555.9487 307.6982 3770.1589 6591.4356 303.5025 PRESSURE: 37500 0 0 0 0 0 0 0 0 0 GPRESSURE: 37500 0 0 0 0 0 0 0 0 0 PRESSAVG: 37500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37500 0 0 0 0 0 0 0 0 0 TIMING: 37500 CPU: 149.642, 0.00397234/step Wall: 149.642, 0.00397235/step, 0.510337 hours remaining, 109.511719 MB of memory in use. ENERGY: 37500 672.8092 1956.6172 1963.4289 97.4917 -13.3603 -1067.1037 157.8062 0.0000 2804.4935 6572.1828 309.7641 3767.6893 6606.5336 304.9509 PRESSURE: 37600 0 0 0 0 0 0 0 0 0 GPRESSURE: 37600 0 0 0 0 0 0 0 0 0 PRESSAVG: 37600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37600 0 0 0 0 0 0 0 0 0 TIMING: 37600 CPU: 150.039, 0.00397156/step Wall: 150.039, 0.00397156/step, 0.510125 hours remaining, 109.511719 MB of memory in use. ENERGY: 37600 701.9317 1911.2664 1979.7264 96.6615 -13.3808 -1019.0274 179.2629 0.0000 2722.7535 6559.1943 300.7357 3836.4408 6593.1852 303.7176 PRESSURE: 37700 0 0 0 0 0 0 0 0 0 GPRESSURE: 37700 0 0 0 0 0 0 0 0 0 PRESSAVG: 37700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37700 0 0 0 0 0 0 0 0 0 TIMING: 37700 CPU: 150.437, 0.00398093/step Wall: 150.437, 0.00398093/step, 0.511218 hours remaining, 109.511719 MB of memory in use. ENERGY: 37700 674.3350 1885.7685 1998.0214 98.2801 -13.6627 -1027.3593 168.6309 0.0000 2772.3462 6556.3599 306.2134 3784.0137 6590.1636 303.3902 PRESSURE: 37800 0 0 0 0 0 0 0 0 0 GPRESSURE: 37800 0 0 0 0 0 0 0 0 0 PRESSAVG: 37800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37800 0 0 0 0 0 0 0 0 0 TIMING: 37800 CPU: 150.834, 0.00397226/step Wall: 150.834, 0.00397226/step, 0.509994 hours remaining, 109.511719 MB of memory in use. ENERGY: 37800 685.3039 1906.0644 1989.1942 107.6666 -13.5193 -1045.7979 172.4450 0.0000 2727.9557 6529.3126 301.3103 3801.3569 6564.4190 303.2732 PRESSURE: 37900 0 0 0 0 0 0 0 0 0 GPRESSURE: 37900 0 0 0 0 0 0 0 0 0 PRESSAVG: 37900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 37900 0 0 0 0 0 0 0 0 0 TIMING: 37900 CPU: 151.233, 0.00399237/step Wall: 151.233, 0.00399237/step, 0.512465 hours remaining, 109.511719 MB of memory in use. ENERGY: 37900 669.3676 1897.0737 2001.7681 107.9318 -13.4188 -1071.9049 173.0580 0.0000 2760.6272 6524.5027 304.9190 3763.8755 6559.6623 302.5976 PRESSURE: 38000 0 0 0 0 0 0 0 0 0 GPRESSURE: 38000 0 0 0 0 0 0 0 0 0 PRESSAVG: 38000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38000 0 0 0 0 0 0 0 0 0 TIMING: 38000 CPU: 151.631, 0.00397306/step Wall: 151.631, 0.00397306/step, 0.509876 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 38000 649.0252 1910.4850 2000.2836 107.6299 -13.5251 -1062.0565 158.4289 0.0000 2742.6575 6492.9284 302.9342 3750.2710 6527.2209 301.9689 PRESSURE: 38100 0 0 0 0 0 0 0 0 0 GPRESSURE: 38100 0 0 0 0 0 0 0 0 0 PRESSAVG: 38100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38100 0 0 0 0 0 0 0 0 0 TIMING: 38100 CPU: 152.028, 0.00397414/step Wall: 152.028, 0.00397414/step, 0.509904 hours remaining, 109.511719 MB of memory in use. ENERGY: 38100 667.9700 1893.9238 2016.8794 99.7107 -13.9086 -1086.3385 172.3285 0.0000 2737.0435 6487.6089 302.3141 3750.5654 6520.3586 301.3476 PRESSURE: 38200 0 0 0 0 0 0 0 0 0 GPRESSURE: 38200 0 0 0 0 0 0 0 0 0 PRESSAVG: 38200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38200 0 0 0 0 0 0 0 0 0 TIMING: 38200 CPU: 152.426, 0.00397779/step Wall: 152.426, 0.00397779/step, 0.510262 hours remaining, 109.511719 MB of memory in use. ENERGY: 38200 658.1719 1903.7927 2029.6455 112.1733 -13.6840 -1050.2400 181.0801 0.0000 2700.9219 6521.8614 298.3244 3820.9394 6554.5203 300.6901 PRESSURE: 38300 0 0 0 0 0 0 0 0 0 GPRESSURE: 38300 0 0 0 0 0 0 0 0 0 PRESSAVG: 38300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38300 0 0 0 0 0 0 0 0 0 TIMING: 38300 CPU: 152.823, 0.00397058/step Wall: 152.823, 0.00397058/step, 0.509227 hours remaining, 109.511719 MB of memory in use. ENERGY: 38300 637.3380 1911.7299 2018.8853 111.2516 -12.7596 -1026.5555 178.3407 0.0000 2705.7332 6523.9635 298.8558 3818.2303 6558.2382 301.5804 PRESSURE: 38400 0 0 0 0 0 0 0 0 0 GPRESSURE: 38400 0 0 0 0 0 0 0 0 0 PRESSAVG: 38400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38400 0 0 0 0 0 0 0 0 0 TIMING: 38400 CPU: 153.221, 0.00397958/step Wall: 153.221, 0.00397958/step, 0.510271 hours remaining, 109.511719 MB of memory in use. ENERGY: 38400 684.4368 1868.2183 2010.4507 116.7838 -13.4093 -1020.5566 165.2278 0.0000 2763.6582 6574.8096 305.2537 3811.1514 6608.6169 302.4566 PRESSURE: 38500 0 0 0 0 0 0 0 0 0 GPRESSURE: 38500 0 0 0 0 0 0 0 0 0 PRESSAVG: 38500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38500 0 0 0 0 0 0 0 0 0 TIMING: 38500 CPU: 153.618, 0.00397355/step Wall: 153.618, 0.00397355/step, 0.509387 hours remaining, 109.511719 MB of memory in use. ENERGY: 38500 653.8873 1911.2090 2030.7338 104.2182 -13.4499 -1049.6737 160.2432 0.0000 2785.1420 6582.3100 307.6267 3797.1680 6619.1338 306.2882 PRESSURE: 38600 0 0 0 0 0 0 0 0 0 GPRESSURE: 38600 0 0 0 0 0 0 0 0 0 PRESSAVG: 38600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38600 0 0 0 0 0 0 0 0 0 TIMING: 38600 CPU: 154.015, 0.00396968/step Wall: 154.015, 0.00396968/step, 0.508781 hours remaining, 109.511719 MB of memory in use. ENERGY: 38600 675.2609 1936.0441 2010.2634 103.2305 -13.0815 -1047.0824 167.4954 0.0000 2739.5429 6571.6732 302.5901 3832.1304 6605.6263 304.0516 PRESSURE: 38700 0 0 0 0 0 0 0 0 0 GPRESSURE: 38700 0 0 0 0 0 0 0 0 0 PRESSAVG: 38700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38700 0 0 0 0 0 0 0 0 0 TIMING: 38700 CPU: 154.413, 0.00397731/step Wall: 154.413, 0.00397731/step, 0.509648 hours remaining, 109.511719 MB of memory in use. ENERGY: 38700 693.9128 1946.0448 1994.6099 106.9955 -13.5576 -1056.8397 170.8143 0.0000 2707.7880 6549.7680 299.0827 3841.9799 6578.9978 301.8370 PRESSURE: 38800 0 0 0 0 0 0 0 0 0 GPRESSURE: 38800 0 0 0 0 0 0 0 0 0 PRESSAVG: 38800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38800 0 0 0 0 0 0 0 0 0 TIMING: 38800 CPU: 154.81, 0.00397107/step Wall: 154.81, 0.00397107/step, 0.508738 hours remaining, 109.511719 MB of memory in use. ENERGY: 38800 666.5663 1956.0501 2009.6267 108.5720 -14.3016 -1047.8299 169.2051 0.0000 2695.6770 6543.5657 297.7450 3847.8887 6573.2342 302.3432 PRESSURE: 38900 0 0 0 0 0 0 0 0 0 GPRESSURE: 38900 0 0 0 0 0 0 0 0 0 PRESSAVG: 38900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 38900 0 0 0 0 0 0 0 0 0 TIMING: 38900 CPU: 155.208, 0.0039761/step Wall: 155.208, 0.0039761/step, 0.509272 hours remaining, 109.511719 MB of memory in use. ENERGY: 38900 660.1629 1879.6781 2024.4983 114.1715 -14.3256 -1037.4982 158.6724 0.0000 2702.8166 6488.1759 298.5336 3785.3593 6519.8396 301.7764 PRESSURE: 39000 0 0 0 0 0 0 0 0 0 GPRESSURE: 39000 0 0 0 0 0 0 0 0 0 PRESSAVG: 39000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39000 0 0 0 0 0 0 0 0 0 TIMING: 39000 CPU: 155.605, 0.00397578/step Wall: 155.605, 0.00397578/step, 0.509121 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 39000 614.8344 1881.0546 2025.0935 123.1157 -13.9986 -1022.5668 153.4643 0.0000 2720.0471 6481.0441 300.4368 3760.9970 6514.1212 300.3073 PRESSURE: 39100 0 0 0 0 0 0 0 0 0 GPRESSURE: 39100 0 0 0 0 0 0 0 0 0 PRESSAVG: 39100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39100 0 0 0 0 0 0 0 0 0 TIMING: 39100 CPU: 156.003, 0.00397325/step Wall: 156.003, 0.00397325/step, 0.508686 hours remaining, 109.511719 MB of memory in use. ENERGY: 39100 684.1854 1917.7958 1983.0109 101.5164 -12.7045 -1042.7800 165.2448 0.0000 2696.9650 6493.2337 297.8873 3796.2687 6526.7386 299.6665 PRESSURE: 39200 0 0 0 0 0 0 0 0 0 GPRESSURE: 39200 0 0 0 0 0 0 0 0 0 PRESSAVG: 39200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39200 0 0 0 0 0 0 0 0 0 TIMING: 39200 CPU: 156.4, 0.00397832/step Wall: 156.4, 0.00397832/step, 0.509225 hours remaining, 109.511719 MB of memory in use. ENERGY: 39200 678.0971 1892.7231 2013.6481 113.6080 -13.9414 -1083.7307 168.9941 0.0000 2680.0331 6449.4314 296.0171 3769.3983 6480.4437 299.2720 PRESSURE: 39300 0 0 0 0 0 0 0 0 0 GPRESSURE: 39300 0 0 0 0 0 0 0 0 0 PRESSAVG: 39300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39300 0 0 0 0 0 0 0 0 0 TIMING: 39300 CPU: 156.797, 0.00397125/step Wall: 156.797, 0.00397125/step, 0.50821 hours remaining, 109.511719 MB of memory in use. ENERGY: 39300 637.6181 1912.6536 1997.4603 98.3349 -12.7673 -1058.6945 162.1855 0.0000 2720.0097 6456.8004 300.4326 3736.7907 6489.9361 298.4434 PRESSURE: 39400 0 0 0 0 0 0 0 0 0 GPRESSURE: 39400 0 0 0 0 0 0 0 0 0 PRESSAVG: 39400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39400 0 0 0 0 0 0 0 0 0 TIMING: 39400 CPU: 157.195, 0.00397756/step Wall: 157.195, 0.00397755/step, 0.508906 hours remaining, 109.511719 MB of memory in use. ENERGY: 39400 686.9094 1919.3830 1983.8137 103.8693 -14.7041 -1051.9458 172.2699 0.0000 2649.6922 6449.2875 292.6659 3799.5953 6482.7114 297.9063 PRESSURE: 39500 0 0 0 0 0 0 0 0 0 GPRESSURE: 39500 0 0 0 0 0 0 0 0 0 PRESSAVG: 39500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39500 0 0 0 0 0 0 0 0 0 TIMING: 39500 CPU: 157.593, 0.00397563/step Wall: 157.593, 0.00397564/step, 0.508551 hours remaining, 109.511719 MB of memory in use. ENERGY: 39500 623.8785 1919.3603 2003.8740 110.9915 -13.5298 -1049.1846 173.1941 0.0000 2712.9474 6481.5313 299.6526 3768.5839 6517.9494 299.5460 PRESSURE: 39600 0 0 0 0 0 0 0 0 0 GPRESSURE: 39600 0 0 0 0 0 0 0 0 0 PRESSAVG: 39600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39600 0 0 0 0 0 0 0 0 0 TIMING: 39600 CPU: 157.99, 0.00397149/step Wall: 157.99, 0.00397149/step, 0.50791 hours remaining, 109.511719 MB of memory in use. ENERGY: 39600 657.1977 1892.4944 2001.0243 111.3417 -12.6686 -1057.4969 188.0173 0.0000 2708.0384 6487.9483 299.1104 3779.9099 6522.3718 299.3191 PRESSURE: 39700 0 0 0 0 0 0 0 0 0 GPRESSURE: 39700 0 0 0 0 0 0 0 0 0 PRESSAVG: 39700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39700 0 0 0 0 0 0 0 0 0 TIMING: 39700 CPU: 158.388, 0.00398035/step Wall: 158.388, 0.00398035/step, 0.508932 hours remaining, 109.511719 MB of memory in use. ENERGY: 39700 666.4087 1912.1645 2024.7991 106.1512 -13.4092 -1034.9230 170.4552 0.0000 2652.7320 6484.3784 293.0016 3831.6465 6515.3849 298.6574 PRESSURE: 39800 0 0 0 0 0 0 0 0 0 GPRESSURE: 39800 0 0 0 0 0 0 0 0 0 PRESSAVG: 39800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39800 0 0 0 0 0 0 0 0 0 TIMING: 39800 CPU: 158.785, 0.00397183/step Wall: 158.785, 0.00397183/step, 0.507732 hours remaining, 109.511719 MB of memory in use. ENERGY: 39800 639.4714 1859.7610 1999.4326 109.4065 -13.1508 -1001.9461 146.0566 0.0000 2743.1331 6482.1640 302.9867 3739.0310 6516.5970 299.4188 PRESSURE: 39900 0 0 0 0 0 0 0 0 0 GPRESSURE: 39900 0 0 0 0 0 0 0 0 0 PRESSAVG: 39900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 39900 0 0 0 0 0 0 0 0 0 TIMING: 39900 CPU: 159.183, 0.00397788/step Wall: 159.183, 0.00397788/step, 0.508395 hours remaining, 109.511719 MB of memory in use. ENERGY: 39900 634.2443 1914.8091 2007.3054 102.5712 -12.8387 -1025.9964 177.2250 0.0000 2657.1378 6454.4577 293.4883 3797.3199 6484.5580 298.3484 PRESSURE: 40000 0 0 0 0 0 0 0 0 0 GPRESSURE: 40000 0 0 0 0 0 0 0 0 0 PRESSAVG: 40000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40000 0 0 0 0 0 0 0 0 0 TIMING: 40000 CPU: 159.581, 0.00397662/step Wall: 159.581, 0.00397662/step, 0.508124 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 40000 653.3936 1890.0440 2011.0058 97.9121 -13.4954 -1012.5340 162.7180 0.0000 2675.7185 6464.7626 295.5406 3789.0441 6498.1775 298.1657 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 40000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 40000 WRITING COORDINATES TO RESTART FILE AT STEP 40000 FINISHED WRITING RESTART COORDINATES The last position output (seq=40000) takes 0.010 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 40000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=40000) takes 0.009 seconds, 109.512 MB of memory in use PRESSURE: 40100 0 0 0 0 0 0 0 0 0 GPRESSURE: 40100 0 0 0 0 0 0 0 0 0 PRESSAVG: 40100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40100 0 0 0 0 0 0 0 0 0 TIMING: 40100 CPU: 160.012, 0.00431112/step Wall: 160.012, 0.00431112/step, 0.550746 hours remaining, 109.511719 MB of memory in use. ENERGY: 40100 663.5975 1891.3942 2011.5220 103.1819 -13.6922 -1063.7591 159.8684 0.0000 2708.6029 6460.7156 299.1727 3752.1127 6493.8914 297.7815 PRESSURE: 40200 0 0 0 0 0 0 0 0 0 GPRESSURE: 40200 0 0 0 0 0 0 0 0 0 PRESSAVG: 40200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40200 0 0 0 0 0 0 0 0 0 TIMING: 40200 CPU: 160.41, 0.00397846/step Wall: 160.41, 0.00397846/step, 0.508138 hours remaining, 109.511719 MB of memory in use. ENERGY: 40200 635.8126 1884.6528 2002.3443 112.0228 -13.4947 -1027.3080 159.1114 0.0000 2676.8987 6430.0398 295.6709 3753.1411 6462.7434 297.1521 LDB: ============= START OF LOAD BALANCING ============== 163.184 LDB: ============== END OF LOAD BALANCING =============== 163.184 LDB: =============== DONE WITH MIGRATION ================ 163.184 PRESSURE: 40300 0 0 0 0 0 0 0 0 0 GPRESSURE: 40300 0 0 0 0 0 0 0 0 0 PRESSAVG: 40300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40300 0 0 0 0 0 0 0 0 0 TIMING: 40300 CPU: 160.807, 0.00397318/step Wall: 160.807, 0.00397317/step, 0.507352 hours remaining, 109.511719 MB of memory in use. ENERGY: 40300 643.3150 1898.3342 2003.1902 93.9777 -13.5283 -1047.6776 172.8930 0.0000 2682.9259 6433.4302 296.3366 3750.5042 6466.8754 295.7844 LDB: ============= START OF LOAD BALANCING ============== 163.583 LDB: ============== END OF LOAD BALANCING =============== 163.583 LDB: =============== DONE WITH MIGRATION ================ 163.583 PRESSURE: 40400 0 0 0 0 0 0 0 0 0 GPRESSURE: 40400 0 0 0 0 0 0 0 0 0 PRESSAVG: 40400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40400 0 0 0 0 0 0 0 0 0 TIMING: 40400 CPU: 161.205, 0.00398465/step Wall: 161.205, 0.00398465/step, 0.508707 hours remaining, 109.511719 MB of memory in use. ENERGY: 40400 652.9142 1897.4286 1990.8306 95.2806 -13.0308 -1033.0930 151.5910 0.0000 2662.3151 6404.2363 294.0601 3741.9212 6437.7658 296.6385 PRESSURE: 40500 0 0 0 0 0 0 0 0 0 GPRESSURE: 40500 0 0 0 0 0 0 0 0 0 PRESSAVG: 40500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40500 0 0 0 0 0 0 0 0 0 TIMING: 40500 CPU: 161.603, 0.00397262/step Wall: 161.603, 0.00397263/step, 0.507062 hours remaining, 109.511719 MB of memory in use. ENERGY: 40500 629.2724 1847.2380 2000.5967 107.0789 -12.7193 -1067.4528 171.8762 0.0000 2735.8238 6411.7138 302.1794 3675.8900 6445.7809 297.0841 PRESSURE: 40600 0 0 0 0 0 0 0 0 0 GPRESSURE: 40600 0 0 0 0 0 0 0 0 0 PRESSAVG: 40600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40600 0 0 0 0 0 0 0 0 0 TIMING: 40600 CPU: 162, 0.00397282/step Wall: 162, 0.00397282/step, 0.506976 hours remaining, 109.511719 MB of memory in use. ENERGY: 40600 642.5510 1842.6724 2003.4057 111.3538 -11.9154 -1051.3158 177.5890 0.0000 2749.4636 6463.8043 303.6859 3714.3407 6497.5134 296.4740 PRESSURE: 40700 0 0 0 0 0 0 0 0 0 GPRESSURE: 40700 0 0 0 0 0 0 0 0 0 PRESSAVG: 40700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40700 0 0 0 0 0 0 0 0 0 TIMING: 40700 CPU: 162.398, 0.00397824/step Wall: 162.398, 0.00397824/step, 0.507557 hours remaining, 109.511719 MB of memory in use. ENERGY: 40700 653.8542 1910.1889 2011.2400 104.1765 -11.7829 -1062.5477 172.1119 0.0000 2665.9157 6443.1567 294.4578 3777.2409 6477.7163 297.6655 PRESSURE: 40800 0 0 0 0 0 0 0 0 0 GPRESSURE: 40800 0 0 0 0 0 0 0 0 0 PRESSAVG: 40800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40800 0 0 0 0 0 0 0 0 0 TIMING: 40800 CPU: 162.795, 0.00397017/step Wall: 162.795, 0.00397017/step, 0.506417 hours remaining, 109.511719 MB of memory in use. ENERGY: 40800 674.2204 1873.3514 1993.2154 104.3674 -11.9379 -1027.0769 165.1658 0.0000 2709.3469 6480.6524 299.2549 3771.3055 6516.7091 298.5052 PRESSURE: 40900 0 0 0 0 0 0 0 0 0 GPRESSURE: 40900 0 0 0 0 0 0 0 0 0 PRESSAVG: 40900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 40900 0 0 0 0 0 0 0 0 0 TIMING: 40900 CPU: 163.192, 0.00397656/step Wall: 163.192, 0.00397655/step, 0.507121 hours remaining, 109.511719 MB of memory in use. ENERGY: 40900 645.4116 1881.5898 2023.6008 109.8443 -14.2292 -1043.8075 152.7522 0.0000 2732.0943 6487.2561 301.7674 3755.1618 6522.7162 299.6120 PRESSURE: 41000 0 0 0 0 0 0 0 0 0 GPRESSURE: 41000 0 0 0 0 0 0 0 0 0 PRESSAVG: 41000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41000 0 0 0 0 0 0 0 0 0 TIMING: 41000 CPU: 163.59, 0.00397424/step Wall: 163.59, 0.00397425/step, 0.506717 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 41000 705.2235 1918.1502 1975.9734 115.0783 -14.3560 -1083.2310 176.8086 0.0000 2665.8603 6459.5073 294.4517 3793.6470 6491.8595 299.5974 PRESSURE: 41100 0 0 0 0 0 0 0 0 0 GPRESSURE: 41100 0 0 0 0 0 0 0 0 0 PRESSAVG: 41100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41100 0 0 0 0 0 0 0 0 0 TIMING: 41100 CPU: 163.987, 0.00397051/step Wall: 163.987, 0.00397051/step, 0.50613 hours remaining, 109.511719 MB of memory in use. ENERGY: 41100 685.6312 1941.2867 1979.7121 96.0265 -13.2800 -1016.4351 152.8808 0.0000 2666.2992 6492.1214 294.5002 3825.8222 6522.2317 299.0267 PRESSURE: 41200 0 0 0 0 0 0 0 0 0 GPRESSURE: 41200 0 0 0 0 0 0 0 0 0 PRESSAVG: 41200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41200 0 0 0 0 0 0 0 0 0 TIMING: 41200 CPU: 164.385, 0.00397965/step Wall: 164.385, 0.00397965/step, 0.507184 hours remaining, 109.511719 MB of memory in use. ENERGY: 41200 687.3063 1903.3617 2014.5232 90.7560 -12.2875 -1051.6567 167.0801 0.0000 2716.3139 6515.3970 300.0244 3799.0831 6549.6953 301.8867 PRESSURE: 41300 0 0 0 0 0 0 0 0 0 GPRESSURE: 41300 0 0 0 0 0 0 0 0 0 PRESSAVG: 41300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41300 0 0 0 0 0 0 0 0 0 TIMING: 41300 CPU: 164.782, 0.00397403/step Wall: 164.782, 0.00397403/step, 0.506358 hours remaining, 109.511719 MB of memory in use. ENERGY: 41300 705.5778 1905.8137 1997.9572 91.7524 -12.8470 -1042.5405 176.4073 0.0000 2675.4196 6497.5406 295.5075 3822.1210 6528.8497 301.1241 PRESSURE: 41400 0 0 0 0 0 0 0 0 0 GPRESSURE: 41400 0 0 0 0 0 0 0 0 0 PRESSAVG: 41400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41400 0 0 0 0 0 0 0 0 0 TIMING: 41400 CPU: 165.18, 0.00398235/step Wall: 165.18, 0.00398235/step, 0.507307 hours remaining, 109.511719 MB of memory in use. ENERGY: 41400 639.1654 1948.0118 2006.6940 104.9842 -13.0518 -1031.0423 164.8582 0.0000 2687.7430 6507.3625 296.8687 3819.6196 6538.1551 299.2308 PRESSURE: 41500 0 0 0 0 0 0 0 0 0 GPRESSURE: 41500 0 0 0 0 0 0 0 0 0 PRESSAVG: 41500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41500 0 0 0 0 0 0 0 0 0 TIMING: 41500 CPU: 165.578, 0.00397429/step Wall: 165.578, 0.00397429/step, 0.50617 hours remaining, 109.511719 MB of memory in use. ENERGY: 41500 665.9967 1896.6851 1986.9546 118.5088 -13.5382 -1058.0235 180.3184 0.0000 2702.3934 6479.2953 298.4869 3776.9019 6512.1656 301.1438 PRESSURE: 41600 0 0 0 0 0 0 0 0 0 GPRESSURE: 41600 0 0 0 0 0 0 0 0 0 PRESSAVG: 41600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41600 0 0 0 0 0 0 0 0 0 TIMING: 41600 CPU: 165.975, 0.00397426/step Wall: 165.975, 0.00397426/step, 0.506056 hours remaining, 109.511719 MB of memory in use. ENERGY: 41600 642.9125 1865.5884 1999.6218 112.9818 -12.6419 -1067.3093 171.2543 0.0000 2740.2675 6452.6751 302.6702 3712.4076 6487.9765 297.6247 PRESSURE: 41700 0 0 0 0 0 0 0 0 0 GPRESSURE: 41700 0 0 0 0 0 0 0 0 0 PRESSAVG: 41700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41700 0 0 0 0 0 0 0 0 0 TIMING: 41700 CPU: 166.373, 0.00397957/step Wall: 166.373, 0.00397957/step, 0.506621 hours remaining, 109.511719 MB of memory in use. ENERGY: 41700 648.6782 1926.3183 1995.9459 106.5713 -13.0005 -1098.9025 155.6419 0.0000 2702.3061 6423.5588 298.4772 3721.2527 6453.3243 297.5606 PRESSURE: 41800 0 0 0 0 0 0 0 0 0 GPRESSURE: 41800 0 0 0 0 0 0 0 0 0 PRESSAVG: 41800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41800 0 0 0 0 0 0 0 0 0 TIMING: 41800 CPU: 166.771, 0.00397343/step Wall: 166.771, 0.00397343/step, 0.505729 hours remaining, 109.511719 MB of memory in use. ENERGY: 41800 646.2879 1868.3047 2024.6384 114.8886 -14.0183 -1039.0125 163.0397 0.0000 2666.9436 6431.0721 294.5713 3764.1286 6468.1815 295.6795 PRESSURE: 41900 0 0 0 0 0 0 0 0 0 GPRESSURE: 41900 0 0 0 0 0 0 0 0 0 PRESSAVG: 41900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 41900 0 0 0 0 0 0 0 0 0 TIMING: 41900 CPU: 167.169, 0.00398187/step Wall: 167.169, 0.00398187/step, 0.506693 hours remaining, 109.511719 MB of memory in use. ENERGY: 41900 659.3143 1898.6241 1997.9865 99.7633 -13.0057 -1065.5190 164.7519 0.0000 2709.5603 6451.4756 299.2785 3741.9153 6484.3785 297.8357 PRESSURE: 42000 0 0 0 0 0 0 0 0 0 GPRESSURE: 42000 0 0 0 0 0 0 0 0 0 PRESSAVG: 42000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42000 0 0 0 0 0 0 0 0 0 TIMING: 42000 CPU: 167.566, 0.00397138/step Wall: 167.566, 0.00397138/step, 0.505248 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 42000 618.8289 1911.9618 2005.6513 91.1969 -13.9053 -1060.6121 164.9852 0.0000 2719.6170 6437.7236 300.3893 3718.1066 6471.8333 297.4089 PRESSURE: 42100 0 0 0 0 0 0 0 0 0 GPRESSURE: 42100 0 0 0 0 0 0 0 0 0 PRESSAVG: 42100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42100 0 0 0 0 0 0 0 0 0 TIMING: 42100 CPU: 167.963, 0.00397362/step Wall: 167.963, 0.00397362/step, 0.505422 hours remaining, 109.511719 MB of memory in use. ENERGY: 42100 634.0823 1866.6990 2007.7582 96.2507 -13.7527 -1042.6475 169.4872 0.0000 2701.3904 6419.2677 298.3761 3717.8773 6453.4313 297.7295 PRESSURE: 42200 0 0 0 0 0 0 0 0 0 GPRESSURE: 42200 0 0 0 0 0 0 0 0 0 PRESSAVG: 42200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42200 0 0 0 0 0 0 0 0 0 TIMING: 42200 CPU: 168.361, 0.00397867/step Wall: 168.361, 0.00397867/step, 0.505954 hours remaining, 109.511719 MB of memory in use. ENERGY: 42200 637.8457 1929.8121 2020.1599 92.0778 -12.2028 -1039.9876 168.2764 0.0000 2634.8845 6430.8660 291.0303 3795.9814 6460.0640 298.5424 PRESSURE: 42300 0 0 0 0 0 0 0 0 0 GPRESSURE: 42300 0 0 0 0 0 0 0 0 0 PRESSAVG: 42300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42300 0 0 0 0 0 0 0 0 0 TIMING: 42300 CPU: 168.758, 0.00397276/step Wall: 168.758, 0.00397276/step, 0.505092 hours remaining, 109.511719 MB of memory in use. ENERGY: 42300 630.4851 1887.7041 2019.7831 107.0313 -11.9502 -1042.3405 167.2866 0.0000 2692.7403 6450.7398 297.4207 3757.9995 6481.7214 296.7411 PRESSURE: 42400 0 0 0 0 0 0 0 0 0 GPRESSURE: 42400 0 0 0 0 0 0 0 0 0 PRESSAVG: 42400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42400 0 0 0 0 0 0 0 0 0 TIMING: 42400 CPU: 169.156, 0.00397599/step Wall: 169.156, 0.00397599/step, 0.505392 hours remaining, 109.511719 MB of memory in use. ENERGY: 42400 661.2264 1859.7160 2029.0183 101.2456 -11.9517 -1017.9740 166.2432 0.0000 2639.3781 6426.9021 291.5267 3787.5239 6456.9933 297.6139 PRESSURE: 42500 0 0 0 0 0 0 0 0 0 GPRESSURE: 42500 0 0 0 0 0 0 0 0 0 PRESSAVG: 42500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42500 0 0 0 0 0 0 0 0 0 TIMING: 42500 CPU: 169.553, 0.00397208/step Wall: 169.553, 0.00397208/step, 0.504785 hours remaining, 109.511719 MB of memory in use. ENERGY: 42500 607.3454 1896.8115 2000.7808 100.5556 -13.2491 -1013.1575 161.9238 0.0000 2675.4029 6416.4134 295.5057 3741.0106 6449.2480 296.6659 PRESSURE: 42600 0 0 0 0 0 0 0 0 0 GPRESSURE: 42600 0 0 0 0 0 0 0 0 0 PRESSAVG: 42600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42600 0 0 0 0 0 0 0 0 0 TIMING: 42600 CPU: 169.95, 0.0039713/step Wall: 169.95, 0.0039713/step, 0.504576 hours remaining, 109.511719 MB of memory in use. ENERGY: 42600 641.2334 1851.3732 2028.9320 106.7252 -11.9998 -1063.8539 153.8737 0.0000 2687.0938 6393.3775 296.7970 3706.2838 6426.7035 295.3219 PRESSURE: 42700 0 0 0 0 0 0 0 0 0 GPRESSURE: 42700 0 0 0 0 0 0 0 0 0 PRESSAVG: 42700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42700 0 0 0 0 0 0 0 0 0 TIMING: 42700 CPU: 170.348, 0.00397781/step Wall: 170.348, 0.00397781/step, 0.505292 hours remaining, 109.511719 MB of memory in use. ENERGY: 42700 666.3025 1856.0533 2005.1322 103.6320 -12.4224 -1046.8728 156.8633 0.0000 2667.0286 6395.7168 294.5807 3728.6882 6429.0061 295.6140 PRESSURE: 42800 0 0 0 0 0 0 0 0 0 GPRESSURE: 42800 0 0 0 0 0 0 0 0 0 PRESSAVG: 42800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42800 0 0 0 0 0 0 0 0 0 TIMING: 42800 CPU: 170.745, 0.00397084/step Wall: 170.745, 0.00397084/step, 0.504297 hours remaining, 109.511719 MB of memory in use. ENERGY: 42800 652.8222 1844.2799 2041.7012 105.4709 -12.6848 -1049.6257 154.7846 0.0000 2668.5398 6405.2881 294.7477 3736.7482 6441.4408 295.8507 PRESSURE: 42900 0 0 0 0 0 0 0 0 0 GPRESSURE: 42900 0 0 0 0 0 0 0 0 0 PRESSAVG: 42900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 42900 0 0 0 0 0 0 0 0 0 TIMING: 42900 CPU: 171.143, 0.00397772/step Wall: 171.143, 0.00397772/step, 0.50506 hours remaining, 109.511719 MB of memory in use. ENERGY: 42900 628.5782 1853.7025 2032.4181 92.3666 -13.9721 -1038.7332 157.5825 0.0000 2688.1332 6400.0757 296.9118 3711.9425 6433.1646 295.4950 PRESSURE: 43000 0 0 0 0 0 0 0 0 0 GPRESSURE: 43000 0 0 0 0 0 0 0 0 0 PRESSAVG: 43000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43000 0 0 0 0 0 0 0 0 0 TIMING: 43000 CPU: 171.54, 0.00397178/step Wall: 171.54, 0.00397178/step, 0.504195 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 43000 635.3174 1882.9816 2005.3745 100.6834 -14.0282 -1041.9331 170.9991 0.0000 2658.8619 6398.2566 293.6787 3739.3948 6432.1336 295.3279 PRESSURE: 43100 0 0 0 0 0 0 0 0 0 GPRESSURE: 43100 0 0 0 0 0 0 0 0 0 PRESSAVG: 43100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43100 0 0 0 0 0 0 0 0 0 TIMING: 43100 CPU: 171.937, 0.00397071/step Wall: 171.937, 0.00397071/step, 0.503949 hours remaining, 109.511719 MB of memory in use. ENERGY: 43100 682.1635 1842.0004 2016.9446 91.6364 -14.4065 -1058.8574 160.8509 0.0000 2657.3091 6377.6410 293.5072 3720.3319 6411.4767 294.6721 PRESSURE: 43200 0 0 0 0 0 0 0 0 0 GPRESSURE: 43200 0 0 0 0 0 0 0 0 0 PRESSAVG: 43200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43200 0 0 0 0 0 0 0 0 0 TIMING: 43200 CPU: 172.335, 0.0039762/step Wall: 172.335, 0.0039762/step, 0.504536 hours remaining, 109.511719 MB of memory in use. ENERGY: 43200 635.2106 1844.2903 2012.4020 107.7639 -14.2811 -1020.6132 168.0325 0.0000 2640.8406 6373.6454 291.6882 3732.8048 6406.0175 294.1110 PRESSURE: 43300 0 0 0 0 0 0 0 0 0 GPRESSURE: 43300 0 0 0 0 0 0 0 0 0 PRESSAVG: 43300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43300 0 0 0 0 0 0 0 0 0 TIMING: 43300 CPU: 172.732, 0.00397152/step Wall: 172.732, 0.00397152/step, 0.503831 hours remaining, 109.511719 MB of memory in use. ENERGY: 43300 620.0589 1899.9359 2011.9481 110.5298 -14.2473 -1052.8848 177.4521 0.0000 2657.7338 6410.5265 293.5541 3752.7927 6441.7682 294.4735 PRESSURE: 43400 0 0 0 0 0 0 0 0 0 GPRESSURE: 43400 0 0 0 0 0 0 0 0 0 PRESSAVG: 43400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43400 0 0 0 0 0 0 0 0 0 TIMING: 43400 CPU: 173.13, 0.00397794/step Wall: 173.13, 0.00397794/step, 0.504535 hours remaining, 109.511719 MB of memory in use. ENERGY: 43400 677.2880 1853.9755 2007.9708 98.5527 -14.1785 -1054.9007 162.4213 0.0000 2703.6414 6434.7706 298.6247 3731.1292 6467.3829 294.8887 PRESSURE: 43500 0 0 0 0 0 0 0 0 0 GPRESSURE: 43500 0 0 0 0 0 0 0 0 0 PRESSAVG: 43500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43500 0 0 0 0 0 0 0 0 0 TIMING: 43500 CPU: 173.527, 0.00397285/step Wall: 173.527, 0.00397285/step, 0.503779 hours remaining, 109.511719 MB of memory in use. ENERGY: 43500 635.5469 1836.5855 2025.9238 110.9706 -13.4207 -1010.2245 177.7414 0.0000 2701.3193 6464.4423 298.3682 3763.1230 6496.5635 297.8906 PRESSURE: 43600 0 0 0 0 0 0 0 0 0 GPRESSURE: 43600 0 0 0 0 0 0 0 0 0 PRESSAVG: 43600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43600 0 0 0 0 0 0 0 0 0 TIMING: 43600 CPU: 173.924, 0.00397256/step Wall: 173.924, 0.00397256/step, 0.503633 hours remaining, 109.511719 MB of memory in use. ENERGY: 43600 671.5828 1889.1609 2038.3937 108.8118 -13.4076 -1059.1103 160.8391 0.0000 2645.5292 6441.7996 292.2061 3796.2704 6472.3900 297.3107 PRESSURE: 43700 0 0 0 0 0 0 0 0 0 GPRESSURE: 43700 0 0 0 0 0 0 0 0 0 PRESSAVG: 43700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43700 0 0 0 0 0 0 0 0 0 TIMING: 43700 CPU: 174.322, 0.00397609/step Wall: 174.322, 0.00397609/step, 0.503969 hours remaining, 109.511719 MB of memory in use. ENERGY: 43700 662.1789 1872.7907 2002.3203 96.9297 -13.9238 -1049.6932 164.3659 0.0000 2704.9195 6439.8881 298.7659 3734.9686 6474.1662 297.0095 PRESSURE: 43800 0 0 0 0 0 0 0 0 0 GPRESSURE: 43800 0 0 0 0 0 0 0 0 0 PRESSAVG: 43800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43800 0 0 0 0 0 0 0 0 0 TIMING: 43800 CPU: 174.719, 0.0039696/step Wall: 174.719, 0.0039696/step, 0.503037 hours remaining, 109.511719 MB of memory in use. ENERGY: 43800 658.4654 1837.0974 2016.6244 97.7167 -14.0450 -1011.9561 158.9980 0.0000 2718.5869 6461.4877 300.2755 3742.9009 6493.7028 297.6183 PRESSURE: 43900 0 0 0 0 0 0 0 0 0 GPRESSURE: 43900 0 0 0 0 0 0 0 0 0 PRESSAVG: 43900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43900 0 0 0 0 0 0 0 0 0 TIMING: 43900 CPU: 175.116, 0.00397092/step Wall: 175.116, 0.00397092/step, 0.503093 hours remaining, 109.511719 MB of memory in use. ENERGY: 43900 634.0633 1908.4184 2013.3970 121.7103 -14.7178 -1064.4451 156.0363 0.0000 2722.6513 6477.1138 300.7244 3754.4624 6511.1414 298.9371 PRESSURE: 44000 0 0 0 0 0 0 0 0 0 GPRESSURE: 44000 0 0 0 0 0 0 0 0 0 PRESSAVG: 44000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44000 0 0 0 0 0 0 0 0 0 TIMING: 44000 CPU: 175.514, 0.00398161/step Wall: 175.514, 0.00398161/step, 0.504337 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 44000 643.9238 1858.2166 2014.3874 91.8567 -14.5070 -1032.9975 149.0358 0.0000 2738.5631 6448.4789 302.4819 3709.9158 6483.1492 300.1486 PRESSURE: 44100 0 0 0 0 0 0 0 0 0 GPRESSURE: 44100 0 0 0 0 0 0 0 0 0 PRESSAVG: 44100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44100 0 0 0 0 0 0 0 0 0 TIMING: 44100 CPU: 175.911, 0.00396913/step Wall: 175.911, 0.00396913/step, 0.502646 hours remaining, 109.511719 MB of memory in use. ENERGY: 44100 646.5745 1845.8731 2033.7334 93.2935 -14.3911 -1065.1750 170.4471 0.0000 2732.0780 6442.4336 301.7656 3710.3556 6475.9374 298.5855 PRESSURE: 44200 0 0 0 0 0 0 0 0 0 GPRESSURE: 44200 0 0 0 0 0 0 0 0 0 PRESSAVG: 44200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44200 0 0 0 0 0 0 0 0 0 TIMING: 44200 CPU: 176.309, 0.0039796/step Wall: 176.309, 0.0039796/step, 0.503862 hours remaining, 109.511719 MB of memory in use. ENERGY: 44200 664.0628 1895.8922 2018.0501 102.4740 -12.5451 -1063.9328 173.4356 0.0000 2661.9731 6439.4099 294.0223 3777.4368 6473.8270 297.1189 LDB: ============= START OF LOAD BALANCING ============== 179.084 LDB: ============== END OF LOAD BALANCING =============== 179.084 LDB: =============== DONE WITH MIGRATION ================ 179.084 PRESSURE: 44300 0 0 0 0 0 0 0 0 0 GPRESSURE: 44300 0 0 0 0 0 0 0 0 0 PRESSAVG: 44300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44300 0 0 0 0 0 0 0 0 0 TIMING: 44300 CPU: 176.706, 0.00397359/step Wall: 176.706, 0.00397358/step, 0.502989 hours remaining, 109.511719 MB of memory in use. ENERGY: 44300 649.5818 1871.5082 2051.9654 123.6542 -11.7912 -1066.0906 173.2509 0.0000 2669.9765 6462.0552 294.9063 3792.0787 6492.4291 297.7164 LDB: ============= START OF LOAD BALANCING ============== 179.482 LDB: ============== END OF LOAD BALANCING =============== 179.482 LDB: =============== DONE WITH MIGRATION ================ 179.482 PRESSURE: 44400 0 0 0 0 0 0 0 0 0 GPRESSURE: 44400 0 0 0 0 0 0 0 0 0 PRESSAVG: 44400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44400 0 0 0 0 0 0 0 0 0 TIMING: 44400 CPU: 177.105, 0.00398161/step Wall: 177.105, 0.00398162/step, 0.503896 hours remaining, 109.511719 MB of memory in use. ENERGY: 44400 683.5617 1864.4496 2025.3216 108.9327 -13.0635 -1055.7084 164.0296 0.0000 2650.5740 6428.0974 292.7633 3777.5233 6461.4889 297.8858 PRESSURE: 44500 0 0 0 0 0 0 0 0 0 GPRESSURE: 44500 0 0 0 0 0 0 0 0 0 PRESSAVG: 44500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44500 0 0 0 0 0 0 0 0 0 TIMING: 44500 CPU: 177.503, 0.00397988/step Wall: 177.503, 0.00397988/step, 0.503565 hours remaining, 109.511719 MB of memory in use. ENERGY: 44500 678.3362 1881.2464 1996.6435 111.9433 -12.2043 -1044.2142 167.6526 0.0000 2667.2467 6446.6503 294.6048 3779.4036 6479.7618 297.7927 PRESSURE: 44600 0 0 0 0 0 0 0 0 0 GPRESSURE: 44600 0 0 0 0 0 0 0 0 0 PRESSAVG: 44600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44600 0 0 0 0 0 0 0 0 0 TIMING: 44600 CPU: 177.9, 0.00397068/step Wall: 177.9, 0.00397068/step, 0.502291 hours remaining, 109.511719 MB of memory in use. ENERGY: 44600 670.3772 1851.0772 1994.8058 94.3991 -12.7062 -1041.6124 152.2630 0.0000 2731.0260 6439.6298 301.6494 3708.6038 6472.8803 297.1095 PRESSURE: 44700 0 0 0 0 0 0 0 0 0 GPRESSURE: 44700 0 0 0 0 0 0 0 0 0 PRESSAVG: 44700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44700 0 0 0 0 0 0 0 0 0 TIMING: 44700 CPU: 178.297, 0.00397544/step Wall: 178.297, 0.00397544/step, 0.502783 hours remaining, 109.511719 MB of memory in use. ENERGY: 44700 673.9452 1872.2605 2026.2193 104.5533 -13.3273 -1018.7665 161.7495 0.0000 2691.7320 6498.3659 297.3093 3806.6340 6530.1071 298.6688 PRESSURE: 44800 0 0 0 0 0 0 0 0 0 GPRESSURE: 44800 0 0 0 0 0 0 0 0 0 PRESSAVG: 44800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44800 0 0 0 0 0 0 0 0 0 TIMING: 44800 CPU: 178.694, 0.00397037/step Wall: 178.694, 0.00397037/step, 0.502031 hours remaining, 109.511719 MB of memory in use. ENERGY: 44800 673.5568 1920.1119 2029.1427 107.8993 -13.3673 -1063.9300 154.8585 0.0000 2693.0116 6501.2835 297.4506 3808.2719 6534.4732 300.0099 PRESSURE: 44900 0 0 0 0 0 0 0 0 0 GPRESSURE: 44900 0 0 0 0 0 0 0 0 0 PRESSAVG: 44900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44900 0 0 0 0 0 0 0 0 0 TIMING: 44900 CPU: 179.091, 0.00397096/step Wall: 179.091, 0.00397096/step, 0.501995 hours remaining, 109.511719 MB of memory in use. ENERGY: 44900 686.8720 1914.6358 2004.4330 111.2132 -13.8359 -1053.1416 154.5875 0.0000 2708.2832 6513.0471 299.1374 3804.7639 6543.9094 300.4779 PRESSURE: 45000 0 0 0 0 0 0 0 0 0 GPRESSURE: 45000 0 0 0 0 0 0 0 0 0 PRESSAVG: 45000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45000 0 0 0 0 0 0 0 0 0 TIMING: 45000 CPU: 179.489, 0.00397949/step Wall: 179.489, 0.00397949/step, 0.502963 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 45000 633.5739 1834.6702 2016.2027 100.6867 -11.7907 -1062.7493 166.9987 0.0000 2768.0529 6445.6450 305.7392 3677.5922 6480.5095 300.6563 PRESSURE: 45100 0 0 0 0 0 0 0 0 0 GPRESSURE: 45100 0 0 0 0 0 0 0 0 0 PRESSAVG: 45100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45100 0 0 0 0 0 0 0 0 0 TIMING: 45100 CPU: 179.887, 0.00397345/step Wall: 179.887, 0.00397345/step, 0.50209 hours remaining, 109.511719 MB of memory in use. ENERGY: 45100 658.2794 1852.4442 2043.5177 99.6015 -12.2842 -1066.9046 168.1258 0.0000 2715.6686 6458.4484 299.9532 3742.7798 6491.0757 297.6332 PRESSURE: 45200 0 0 0 0 0 0 0 0 0 GPRESSURE: 45200 0 0 0 0 0 0 0 0 0 PRESSAVG: 45200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45200 0 0 0 0 0 0 0 0 0 TIMING: 45200 CPU: 180.284, 0.00397788/step Wall: 180.284, 0.00397788/step, 0.502539 hours remaining, 109.511719 MB of memory in use. ENERGY: 45200 661.1501 1902.0181 2010.0648 109.2079 -12.9304 -1066.9328 164.3685 0.0000 2729.2482 6496.1945 301.4531 3766.9462 6529.5555 298.3781 PRESSURE: 45300 0 0 0 0 0 0 0 0 0 GPRESSURE: 45300 0 0 0 0 0 0 0 0 0 PRESSAVG: 45300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45300 0 0 0 0 0 0 0 0 0 TIMING: 45300 CPU: 180.682, 0.00397209/step Wall: 180.682, 0.00397209/step, 0.501697 hours remaining, 109.511719 MB of memory in use. ENERGY: 45300 647.0844 1912.6632 2007.2646 105.8505 -12.0932 -1040.8098 171.9292 0.0000 2725.4106 6517.2997 301.0292 3791.8890 6550.7593 300.4777 PRESSURE: 45400 0 0 0 0 0 0 0 0 0 GPRESSURE: 45400 0 0 0 0 0 0 0 0 0 PRESSAVG: 45400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45400 0 0 0 0 0 0 0 0 0 TIMING: 45400 CPU: 181.079, 0.00397031/step Wall: 181.079, 0.00397031/step, 0.501362 hours remaining, 109.511719 MB of memory in use. ENERGY: 45400 660.8510 1851.0281 2002.5110 101.3067 -12.7445 -1051.1548 179.6200 0.0000 2749.1052 6480.5227 303.6463 3731.4175 6514.3886 301.1846 PRESSURE: 45500 0 0 0 0 0 0 0 0 0 GPRESSURE: 45500 0 0 0 0 0 0 0 0 0 PRESSAVG: 45500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45500 0 0 0 0 0 0 0 0 0 TIMING: 45500 CPU: 181.477, 0.00398116/step Wall: 181.477, 0.00398116/step, 0.502621 hours remaining, 109.511719 MB of memory in use. ENERGY: 45500 629.8237 1848.3290 2013.3010 96.6127 -12.4937 -1021.1368 154.7707 0.0000 2729.4173 6438.6239 301.4717 3709.2065 6469.5908 298.3546 PRESSURE: 45600 0 0 0 0 0 0 0 0 0 GPRESSURE: 45600 0 0 0 0 0 0 0 0 0 PRESSAVG: 45600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45600 0 0 0 0 0 0 0 0 0 TIMING: 45600 CPU: 181.874, 0.00397071/step Wall: 181.874, 0.00397071/step, 0.501192 hours remaining, 109.511719 MB of memory in use. ENERGY: 45600 646.0150 1851.7621 2023.4971 100.1970 -12.4165 -1050.6962 174.5849 0.0000 2726.2113 6459.1547 301.1176 3732.9434 6493.1681 299.3302 PRESSURE: 45700 0 0 0 0 0 0 0 0 0 GPRESSURE: 45700 0 0 0 0 0 0 0 0 0 PRESSAVG: 45700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45700 0 0 0 0 0 0 0 0 0 TIMING: 45700 CPU: 182.272, 0.00397721/step Wall: 182.272, 0.00397721/step, 0.501902 hours remaining, 109.511719 MB of memory in use. ENERGY: 45700 655.9706 1934.1762 2004.8698 97.2363 -13.2748 -1042.7240 163.5126 0.0000 2653.9268 6453.6935 293.1336 3799.7667 6486.9984 298.8698 PRESSURE: 45800 0 0 0 0 0 0 0 0 0 GPRESSURE: 45800 0 0 0 0 0 0 0 0 0 PRESSAVG: 45800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45800 0 0 0 0 0 0 0 0 0 TIMING: 45800 CPU: 182.669, 0.00397106/step Wall: 182.669, 0.00397106/step, 0.501015 hours remaining, 109.511719 MB of memory in use. ENERGY: 45800 606.4220 1874.9644 2039.7176 106.3018 -13.5177 -1057.4006 175.8059 0.0000 2697.5261 6429.8193 297.9493 3732.2932 6465.9026 297.8453 PRESSURE: 45900 0 0 0 0 0 0 0 0 0 GPRESSURE: 45900 0 0 0 0 0 0 0 0 0 PRESSAVG: 45900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45900 0 0 0 0 0 0 0 0 0 TIMING: 45900 CPU: 183.066, 0.00397111/step Wall: 183.066, 0.00397111/step, 0.500911 hours remaining, 109.511719 MB of memory in use. ENERGY: 45900 637.2659 1847.1476 1993.5761 92.8624 -13.8409 -1057.5991 167.1095 0.0000 2749.0013 6415.5228 303.6348 3666.5216 6449.4754 297.3906 PRESSURE: 46000 0 0 0 0 0 0 0 0 0 GPRESSURE: 46000 0 0 0 0 0 0 0 0 0 PRESSAVG: 46000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46000 0 0 0 0 0 0 0 0 0 TIMING: 46000 CPU: 183.464, 0.00397858/step Wall: 183.464, 0.00397858/step, 0.501743 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 46000 669.8312 1845.2370 2030.0615 98.5052 -13.6394 -1056.4401 166.6254 0.0000 2706.4036 6446.5842 298.9298 3740.1805 6478.7012 297.0048 PRESSURE: 46100 0 0 0 0 0 0 0 0 0 GPRESSURE: 46100 0 0 0 0 0 0 0 0 0 PRESSAVG: 46100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46100 0 0 0 0 0 0 0 0 0 TIMING: 46100 CPU: 183.861, 0.00396979/step Wall: 183.861, 0.00396979/step, 0.500524 hours remaining, 109.511719 MB of memory in use. ENERGY: 46100 677.5207 1865.7162 2017.5797 111.5491 -13.8431 -1076.3646 167.5379 0.0000 2689.8252 6439.5211 297.0987 3749.6960 6468.7787 298.3249 PRESSURE: 46200 0 0 0 0 0 0 0 0 0 GPRESSURE: 46200 0 0 0 0 0 0 0 0 0 PRESSAVG: 46200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46200 0 0 0 0 0 0 0 0 0 TIMING: 46200 CPU: 184.258, 0.00397847/step Wall: 184.258, 0.00397847/step, 0.501508 hours remaining, 109.511719 MB of memory in use. ENERGY: 46200 680.7369 1887.7417 2028.7590 98.2225 -14.5395 -1067.4705 158.5550 0.0000 2682.2792 6454.2843 296.2652 3772.0052 6488.4333 298.3550 PRESSURE: 46300 0 0 0 0 0 0 0 0 0 GPRESSURE: 46300 0 0 0 0 0 0 0 0 0 PRESSAVG: 46300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46300 0 0 0 0 0 0 0 0 0 TIMING: 46300 CPU: 184.656, 0.0039746/step Wall: 184.656, 0.0039746/step, 0.50091 hours remaining, 109.511719 MB of memory in use. ENERGY: 46300 668.3257 1897.4986 1990.4338 99.4333 -14.5470 -1055.3367 160.7713 0.0000 2694.6990 6441.2779 297.6370 3746.5789 6472.3397 297.7579 PRESSURE: 46400 0 0 0 0 0 0 0 0 0 GPRESSURE: 46400 0 0 0 0 0 0 0 0 0 PRESSAVG: 46400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46400 0 0 0 0 0 0 0 0 0 TIMING: 46400 CPU: 185.053, 0.00397176/step Wall: 185.053, 0.00397176/step, 0.500441 hours remaining, 109.511719 MB of memory in use. ENERGY: 46400 680.7877 1917.5134 2001.3032 110.2341 -14.2822 -1067.8794 152.8548 0.0000 2650.2735 6430.8052 292.7301 3780.5316 6463.9722 296.1889 PRESSURE: 46500 0 0 0 0 0 0 0 0 0 GPRESSURE: 46500 0 0 0 0 0 0 0 0 0 PRESSAVG: 46500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46500 0 0 0 0 0 0 0 0 0 TIMING: 46500 CPU: 185.451, 0.00398062/step Wall: 185.451, 0.00398062/step, 0.501448 hours remaining, 109.511719 MB of memory in use. ENERGY: 46500 662.0444 1881.0772 1994.3430 105.1903 -13.4140 -1056.1421 160.6812 0.0000 2685.0355 6418.8156 296.5697 3733.7801 6453.1999 297.1570 PRESSURE: 46600 0 0 0 0 0 0 0 0 0 GPRESSURE: 46600 0 0 0 0 0 0 0 0 0 PRESSAVG: 46600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46600 0 0 0 0 0 0 0 0 0 TIMING: 46600 CPU: 185.848, 0.00397069/step Wall: 185.848, 0.00397069/step, 0.500086 hours remaining, 109.511719 MB of memory in use. ENERGY: 46600 642.2326 1867.1951 2014.9467 102.5139 -14.4058 -1029.9416 162.5625 0.0000 2679.2743 6424.3776 295.9333 3745.1033 6458.2360 295.9507 PRESSURE: 46700 0 0 0 0 0 0 0 0 0 GPRESSURE: 46700 0 0 0 0 0 0 0 0 0 PRESSAVG: 46700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46700 0 0 0 0 0 0 0 0 0 TIMING: 46700 CPU: 186.246, 0.00397864/step Wall: 186.246, 0.00397864/step, 0.500977 hours remaining, 109.511719 MB of memory in use. ENERGY: 46700 675.8048 1890.0219 2041.9260 101.4740 -13.8485 -1091.3940 163.7006 0.0000 2682.5924 6450.2772 296.2998 3767.6848 6481.0431 296.9525 PRESSURE: 46800 0 0 0 0 0 0 0 0 0 GPRESSURE: 46800 0 0 0 0 0 0 0 0 0 PRESSAVG: 46800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46800 0 0 0 0 0 0 0 0 0 TIMING: 46800 CPU: 186.643, 0.00397302/step Wall: 186.643, 0.00397302/step, 0.500159 hours remaining, 109.511719 MB of memory in use. ENERGY: 46800 656.2851 1911.0741 1990.9730 110.7094 -15.0551 -1048.9463 156.5398 0.0000 2733.5310 6495.1110 301.9261 3761.5800 6527.7541 299.6619 PRESSURE: 46900 0 0 0 0 0 0 0 0 0 GPRESSURE: 46900 0 0 0 0 0 0 0 0 0 PRESSAVG: 46900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46900 0 0 0 0 0 0 0 0 0 TIMING: 46900 CPU: 187.041, 0.00397236/step Wall: 187.041, 0.00397236/step, 0.499965 hours remaining, 109.511719 MB of memory in use. ENERGY: 46900 682.7456 1890.3604 2018.6704 98.9878 -12.8882 -1051.3176 155.2050 0.0000 2734.9445 6516.7079 302.0822 3781.7634 6550.9175 302.4541 PRESSURE: 47000 0 0 0 0 0 0 0 0 0 GPRESSURE: 47000 0 0 0 0 0 0 0 0 0 PRESSAVG: 47000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47000 0 0 0 0 0 0 0 0 0 TIMING: 47000 CPU: 187.438, 0.00397725/step Wall: 187.438, 0.00397725/step, 0.500471 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 47000 652.0238 1918.0987 2008.2276 108.4428 -13.4548 -1004.1805 157.2711 0.0000 2697.3848 6523.8135 297.9337 3826.4286 6556.7897 301.4707 PRESSURE: 47100 0 0 0 0 0 0 0 0 0 GPRESSURE: 47100 0 0 0 0 0 0 0 0 0 PRESSAVG: 47100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47100 0 0 0 0 0 0 0 0 0 TIMING: 47100 CPU: 187.836, 0.00397471/step Wall: 187.836, 0.00397471/step, 0.500041 hours remaining, 109.511719 MB of memory in use. ENERGY: 47100 683.1239 1884.2201 2024.2740 112.3990 -12.7645 -1028.1977 168.4459 0.0000 2674.4534 6505.9540 295.4008 3831.5006 6540.5636 301.7376 PRESSURE: 47200 0 0 0 0 0 0 0 0 0 GPRESSURE: 47200 0 0 0 0 0 0 0 0 0 PRESSAVG: 47200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47200 0 0 0 0 0 0 0 0 0 TIMING: 47200 CPU: 188.233, 0.00397623/step Wall: 188.233, 0.00397623/step, 0.500121 hours remaining, 109.511719 MB of memory in use. ENERGY: 47200 686.5994 1856.7600 2035.1680 106.6524 -13.0117 -1065.9238 164.5940 0.0000 2706.8416 6477.6800 298.9782 3770.8384 6513.1335 298.6743 PRESSURE: 47300 0 0 0 0 0 0 0 0 0 GPRESSURE: 47300 0 0 0 0 0 0 0 0 0 PRESSAVG: 47300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47300 0 0 0 0 0 0 0 0 0 TIMING: 47300 CPU: 188.631, 0.00397072/step Wall: 188.631, 0.00397072/step, 0.499318 hours remaining, 109.511719 MB of memory in use. ENERGY: 47300 647.5633 1925.2386 2015.0494 104.0043 -13.0566 -1088.4831 162.8118 0.0000 2732.5485 6485.6763 301.8176 3753.1278 6521.8311 299.4366 PRESSURE: 47400 0 0 0 0 0 0 0 0 0 GPRESSURE: 47400 0 0 0 0 0 0 0 0 0 PRESSAVG: 47400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47400 0 0 0 0 0 0 0 0 0 TIMING: 47400 CPU: 189.028, 0.0039714/step Wall: 189.028, 0.0039714/step, 0.499293 hours remaining, 109.511719 MB of memory in use. ENERGY: 47400 670.8303 1890.2526 2019.8621 109.8633 -13.9775 -1039.8786 164.5625 0.0000 2720.4241 6521.9390 300.4784 3801.5148 6556.2896 300.7853 PRESSURE: 47500 0 0 0 0 0 0 0 0 0 GPRESSURE: 47500 0 0 0 0 0 0 0 0 0 PRESSAVG: 47500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47500 0 0 0 0 0 0 0 0 0 TIMING: 47500 CPU: 189.425, 0.00397575/step Wall: 189.425, 0.00397575/step, 0.49973 hours remaining, 109.511719 MB of memory in use. ENERGY: 47500 650.2950 1885.5826 2002.4275 109.7602 -14.2739 -1049.2915 158.8239 0.0000 2757.2247 6500.5484 304.5432 3743.3237 6534.7622 301.2457 PRESSURE: 47600 0 0 0 0 0 0 0 0 0 GPRESSURE: 47600 0 0 0 0 0 0 0 0 0 PRESSAVG: 47600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47600 0 0 0 0 0 0 0 0 0 TIMING: 47600 CPU: 189.822, 0.00397107/step Wall: 189.822, 0.00397107/step, 0.499031 hours remaining, 109.511719 MB of memory in use. ENERGY: 47600 648.0042 1920.1427 2021.0595 118.7694 -13.5384 -1052.6555 172.8060 0.0000 2688.1837 6502.7718 296.9174 3814.5880 6537.1061 301.0129 PRESSURE: 47700 0 0 0 0 0 0 0 0 0 GPRESSURE: 47700 0 0 0 0 0 0 0 0 0 PRESSAVG: 47700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47700 0 0 0 0 0 0 0 0 0 TIMING: 47700 CPU: 190.22, 0.00397798/step Wall: 190.22, 0.00397798/step, 0.499789 hours remaining, 109.511719 MB of memory in use. ENERGY: 47700 658.5193 1926.8940 1961.1747 105.6006 -13.1304 -1038.5953 170.5250 0.0000 2735.8499 6506.8378 302.1822 3770.9879 6541.8700 300.8508 PRESSURE: 47800 0 0 0 0 0 0 0 0 0 GPRESSURE: 47800 0 0 0 0 0 0 0 0 0 PRESSAVG: 47800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47800 0 0 0 0 0 0 0 0 0 TIMING: 47800 CPU: 190.62, 0.00400112/step Wall: 190.62, 0.00400112/step, 0.502585 hours remaining, 109.511719 MB of memory in use. ENERGY: 47800 639.0580 1911.8337 1998.3426 106.5649 -12.9244 -1065.8594 168.3481 0.0000 2758.8889 6504.2522 304.7270 3745.3634 6540.8573 301.5534 PRESSURE: 47900 0 0 0 0 0 0 0 0 0 GPRESSURE: 47900 0 0 0 0 0 0 0 0 0 PRESSAVG: 47900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47900 0 0 0 0 0 0 0 0 0 TIMING: 47900 CPU: 191.018, 0.00397459/step Wall: 191.018, 0.00397458/step, 0.499141 hours remaining, 109.511719 MB of memory in use. ENERGY: 47900 625.9615 1878.7713 1982.8544 101.2709 -13.5274 -1024.6199 174.3695 0.0000 2732.1709 6457.2511 301.7759 3725.0802 6492.3785 299.7367 PRESSURE: 48000 0 0 0 0 0 0 0 0 0 GPRESSURE: 48000 0 0 0 0 0 0 0 0 0 PRESSAVG: 48000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48000 0 0 0 0 0 0 0 0 0 TIMING: 48000 CPU: 191.418, 0.00400291/step Wall: 191.418, 0.00400292/step, 0.502589 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 48000 648.9317 1902.1203 1994.8414 86.9297 -12.9632 -1069.2906 166.0977 0.0000 2715.4937 6432.1607 299.9338 3716.6670 6464.7285 298.3412 PRESSURE: 48100 0 0 0 0 0 0 0 0 0 GPRESSURE: 48100 0 0 0 0 0 0 0 0 0 PRESSAVG: 48100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48100 0 0 0 0 0 0 0 0 0 TIMING: 48100 CPU: 191.816, 0.00397711/step Wall: 191.816, 0.00397711/step, 0.499238 hours remaining, 109.511719 MB of memory in use. ENERGY: 48100 653.5172 1890.2862 2001.3027 110.1400 -12.6696 -1047.6275 163.5825 0.0000 2640.0136 6398.5450 291.5969 3758.5314 6429.4572 296.0933 PRESSURE: 48200 0 0 0 0 0 0 0 0 0 GPRESSURE: 48200 0 0 0 0 0 0 0 0 0 PRESSAVG: 48200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48200 0 0 0 0 0 0 0 0 0 TIMING: 48200 CPU: 192.214, 0.00398066/step Wall: 192.214, 0.00398066/step, 0.499573 hours remaining, 109.511719 MB of memory in use. ENERGY: 48200 662.2992 1849.5309 1986.8817 88.8955 -13.8243 -1066.4842 163.7083 0.0000 2719.9425 6390.9496 300.4252 3671.0071 6425.2399 294.5165 LDB: ============= START OF LOAD BALANCING ============== 194.989 LDB: ============== END OF LOAD BALANCING =============== 194.989 LDB: =============== DONE WITH MIGRATION ================ 194.989 PRESSURE: 48300 0 0 0 0 0 0 0 0 0 GPRESSURE: 48300 0 0 0 0 0 0 0 0 0 PRESSAVG: 48300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48300 0 0 0 0 0 0 0 0 0 TIMING: 48300 CPU: 192.611, 0.00397582/step Wall: 192.611, 0.00397581/step, 0.498854 hours remaining, 109.511719 MB of memory in use. ENERGY: 48300 638.9293 1840.7441 2020.1797 112.6235 -13.9695 -1027.4181 145.2334 0.0000 2678.8520 6395.1744 295.8867 3716.3224 6424.7978 295.2783 LDB: ============= START OF LOAD BALANCING ============== 195.387 LDB: ============== END OF LOAD BALANCING =============== 195.387 LDB: =============== DONE WITH MIGRATION ================ 195.387 PRESSURE: 48400 0 0 0 0 0 0 0 0 0 GPRESSURE: 48400 0 0 0 0 0 0 0 0 0 PRESSAVG: 48400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48400 0 0 0 0 0 0 0 0 0 TIMING: 48400 CPU: 193.009, 0.0039791/step Wall: 193.009, 0.00397911/step, 0.499157 hours remaining, 109.511719 MB of memory in use. ENERGY: 48400 644.7787 1881.8989 2013.8391 103.3884 -12.7949 -1043.5746 151.1525 0.0000 2641.8790 6380.5671 291.8029 3738.6881 6411.2685 294.2759 PRESSURE: 48500 0 0 0 0 0 0 0 0 0 GPRESSURE: 48500 0 0 0 0 0 0 0 0 0 PRESSAVG: 48500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48500 0 0 0 0 0 0 0 0 0 TIMING: 48500 CPU: 193.407, 0.00397879/step Wall: 193.407, 0.00397879/step, 0.499007 hours remaining, 109.511719 MB of memory in use. ENERGY: 48500 626.1365 1893.0855 2015.6197 108.7850 -14.1185 -1031.3390 156.7299 0.0000 2633.4291 6388.3283 290.8696 3754.8992 6417.1763 295.4818 PRESSURE: 48600 0 0 0 0 0 0 0 0 0 GPRESSURE: 48600 0 0 0 0 0 0 0 0 0 PRESSAVG: 48600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48600 0 0 0 0 0 0 0 0 0 TIMING: 48600 CPU: 193.804, 0.00397084/step Wall: 193.804, 0.00397084/step, 0.497899 hours remaining, 109.511719 MB of memory in use. ENERGY: 48600 636.0403 1880.7095 2009.2219 104.5006 -13.4325 -1029.2797 163.1603 0.0000 2649.4695 6400.3899 292.6413 3750.9203 6432.9570 294.7588 PRESSURE: 48700 0 0 0 0 0 0 0 0 0 GPRESSURE: 48700 0 0 0 0 0 0 0 0 0 PRESSAVG: 48700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48700 0 0 0 0 0 0 0 0 0 TIMING: 48700 CPU: 194.202, 0.00397543/step Wall: 194.202, 0.00397543/step, 0.498364 hours remaining, 109.511719 MB of memory in use. ENERGY: 48700 639.9312 1886.6317 2009.5382 108.0043 -13.9258 -1082.3544 166.4550 0.0000 2645.3059 6359.5861 292.1814 3714.2802 6392.6844 294.0996 PRESSURE: 48800 0 0 0 0 0 0 0 0 0 GPRESSURE: 48800 0 0 0 0 0 0 0 0 0 PRESSAVG: 48800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48800 0 0 0 0 0 0 0 0 0 TIMING: 48800 CPU: 194.599, 0.00397213/step Wall: 194.599, 0.00397213/step, 0.49784 hours remaining, 109.511719 MB of memory in use. ENERGY: 48800 657.7292 1912.0295 2012.9329 104.7477 -13.3890 -1058.3881 159.9577 0.0000 2576.4563 6352.0762 284.5768 3775.6199 6380.8585 292.8084 PRESSURE: 48900 0 0 0 0 0 0 0 0 0 GPRESSURE: 48900 0 0 0 0 0 0 0 0 0 PRESSAVG: 48900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48900 0 0 0 0 0 0 0 0 0 TIMING: 48900 CPU: 194.996, 0.00397087/step Wall: 194.996, 0.00397087/step, 0.497572 hours remaining, 109.511719 MB of memory in use. ENERGY: 48900 603.2654 1868.3202 2013.2922 114.0182 -14.1273 -1029.6624 152.1928 0.0000 2642.4507 6349.7497 291.8660 3707.2991 6382.4631 291.5912 PRESSURE: 49000 0 0 0 0 0 0 0 0 0 GPRESSURE: 49000 0 0 0 0 0 0 0 0 0 PRESSAVG: 49000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49000 0 0 0 0 0 0 0 0 0 TIMING: 49000 CPU: 195.394, 0.00397609/step Wall: 195.394, 0.00397609/step, 0.498116 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 49000 649.3783 1889.5828 1989.4094 111.8462 -13.3828 -1060.0853 166.4166 0.0000 2639.9131 6373.0784 291.5858 3733.1653 6405.6929 293.7754 PRESSURE: 49100 0 0 0 0 0 0 0 0 0 GPRESSURE: 49100 0 0 0 0 0 0 0 0 0 PRESSAVG: 49100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49100 0 0 0 0 0 0 0 0 0 TIMING: 49100 CPU: 195.791, 0.0039736/step Wall: 195.791, 0.0039736/step, 0.497694 hours remaining, 109.511719 MB of memory in use. ENERGY: 49100 625.6760 1883.9472 2039.7134 101.7470 -13.7761 -1066.0035 161.5610 0.0000 2678.5985 6411.4635 295.8587 3732.8650 6444.2559 294.5547 PRESSURE: 49200 0 0 0 0 0 0 0 0 0 GPRESSURE: 49200 0 0 0 0 0 0 0 0 0 PRESSAVG: 49200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49200 0 0 0 0 0 0 0 0 0 TIMING: 49200 CPU: 196.189, 0.00397718/step Wall: 196.189, 0.00397718/step, 0.498031 hours remaining, 109.511719 MB of memory in use. ENERGY: 49200 648.0597 1830.1070 2010.4349 111.9736 -12.9890 -1049.5910 171.4430 0.0000 2731.1908 6440.6290 301.6676 3709.4382 6475.8295 296.9238 PRESSURE: 49300 0 0 0 0 0 0 0 0 0 GPRESSURE: 49300 0 0 0 0 0 0 0 0 0 PRESSAVG: 49300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49300 0 0 0 0 0 0 0 0 0 TIMING: 49300 CPU: 196.586, 0.0039709/step Wall: 196.586, 0.0039709/step, 0.497135 hours remaining, 109.511719 MB of memory in use. ENERGY: 49300 641.8591 1881.9147 1994.7729 104.1247 -14.4521 -1013.0709 163.4205 0.0000 2664.8818 6423.4506 294.3436 3758.5688 6456.3703 297.4458 PRESSURE: 49400 0 0 0 0 0 0 0 0 0 GPRESSURE: 49400 0 0 0 0 0 0 0 0 0 PRESSAVG: 49400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49400 0 0 0 0 0 0 0 0 0 TIMING: 49400 CPU: 196.983, 0.00397187/step Wall: 196.983, 0.00397187/step, 0.497146 hours remaining, 109.511719 MB of memory in use. ENERGY: 49400 637.4798 1931.0784 2013.0810 107.1163 -14.4250 -1076.4424 159.0923 0.0000 2672.9584 6429.9388 295.2357 3756.9803 6460.7845 296.1851 PRESSURE: 49500 0 0 0 0 0 0 0 0 0 GPRESSURE: 49500 0 0 0 0 0 0 0 0 0 PRESSAVG: 49500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49500 0 0 0 0 0 0 0 0 0 TIMING: 49500 CPU: 197.381, 0.00397902/step Wall: 197.381, 0.00397902/step, 0.49793 hours remaining, 109.511719 MB of memory in use. ENERGY: 49500 652.7578 1874.0893 1995.6138 114.6989 -14.3030 -1042.5014 161.4242 0.0000 2721.0274 6462.8070 300.5451 3741.7795 6497.0934 298.5470 PRESSURE: 49600 0 0 0 0 0 0 0 0 0 GPRESSURE: 49600 0 0 0 0 0 0 0 0 0 PRESSAVG: 49600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49600 0 0 0 0 0 0 0 0 0 TIMING: 49600 CPU: 197.778, 0.00396953/step Wall: 197.778, 0.00396953/step, 0.496632 hours remaining, 109.511719 MB of memory in use. ENERGY: 49600 622.8873 1909.1150 2004.6422 110.3796 -13.0687 -1041.8215 158.8054 0.0000 2746.2538 6497.1932 303.3314 3750.9393 6528.2279 299.4769 PRESSURE: 49700 0 0 0 0 0 0 0 0 0 GPRESSURE: 49700 0 0 0 0 0 0 0 0 0 PRESSAVG: 49700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49700 0 0 0 0 0 0 0 0 0 TIMING: 49700 CPU: 198.176, 0.00397734/step Wall: 198.176, 0.00397734/step, 0.497499 hours remaining, 109.511719 MB of memory in use. ENERGY: 49700 655.4885 1907.1816 2009.2575 122.3483 -12.9826 -1076.4752 169.5619 0.0000 2745.8664 6520.2463 303.2886 3774.3799 6555.0458 302.4515 PRESSURE: 49800 0 0 0 0 0 0 0 0 0 GPRESSURE: 49800 0 0 0 0 0 0 0 0 0 PRESSAVG: 49800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49800 0 0 0 0 0 0 0 0 0 TIMING: 49800 CPU: 198.573, 0.0039711/step Wall: 198.573, 0.0039711/step, 0.496608 hours remaining, 109.511719 MB of memory in use. ENERGY: 49800 690.7276 1857.5192 2006.9120 108.3108 -14.2151 -1088.4148 182.1570 0.0000 2753.9846 6496.9814 304.1853 3742.9968 6531.8315 300.0559 PRESSURE: 49900 0 0 0 0 0 0 0 0 0 GPRESSURE: 49900 0 0 0 0 0 0 0 0 0 PRESSAVG: 49900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49900 0 0 0 0 0 0 0 0 0 TIMING: 49900 CPU: 198.97, 0.00396961/step Wall: 198.97, 0.00396961/step, 0.496312 hours remaining, 109.511719 MB of memory in use. ENERGY: 49900 655.5253 1879.1076 2008.2860 113.8942 -13.4516 -1024.2902 152.4915 0.0000 2727.5290 6499.0917 301.2632 3771.5627 6531.9742 300.9811 PRESSURE: 50000 0 0 0 0 0 0 0 0 0 GPRESSURE: 50000 0 0 0 0 0 0 0 0 0 PRESSAVG: 50000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50000 0 0 0 0 0 0 0 0 0 TIMING: 50000 CPU: 199.368, 0.00397862/step Wall: 199.368, 0.00397862/step, 0.497327 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 50000 654.3355 1913.0830 2014.1926 98.5136 -13.6190 -1039.6467 153.0694 0.0000 2731.8418 6511.7702 301.7395 3779.9284 6544.4086 300.6772 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 50000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 50000 WRITING COORDINATES TO RESTART FILE AT STEP 50000 FINISHED WRITING RESTART COORDINATES The last position output (seq=50000) takes 0.011 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 50000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=50000) takes 0.009 seconds, 109.512 MB of memory in use PRESSURE: 50100 0 0 0 0 0 0 0 0 0 GPRESSURE: 50100 0 0 0 0 0 0 0 0 0 PRESSAVG: 50100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50100 0 0 0 0 0 0 0 0 0 TIMING: 50100 CPU: 199.801, 0.00433379/step Wall: 199.801, 0.00433379/step, 0.541603 hours remaining, 109.511719 MB of memory in use. ENERGY: 50100 656.4733 1894.5665 2052.6765 106.2938 -14.2390 -1046.5674 166.6782 0.0000 2719.2587 6535.1407 300.3497 3815.8820 6565.1759 302.2858 PRESSURE: 50200 0 0 0 0 0 0 0 0 0 GPRESSURE: 50200 0 0 0 0 0 0 0 0 0 PRESSAVG: 50200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50200 0 0 0 0 0 0 0 0 0 TIMING: 50200 CPU: 200.199, 0.00397668/step Wall: 200.199, 0.00397668/step, 0.496864 hours remaining, 109.511719 MB of memory in use. ENERGY: 50200 670.5287 1887.0107 2012.7169 102.2345 -13.9333 -1054.7398 167.5494 0.0000 2782.3013 6553.6684 307.3129 3771.3671 6591.3267 302.6107 PRESSURE: 50300 0 0 0 0 0 0 0 0 0 GPRESSURE: 50300 0 0 0 0 0 0 0 0 0 PRESSAVG: 50300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50300 0 0 0 0 0 0 0 0 0 TIMING: 50300 CPU: 200.596, 0.00397084/step Wall: 200.596, 0.00397084/step, 0.496024 hours remaining, 109.511719 MB of memory in use. ENERGY: 50300 672.2408 1901.5056 2024.9817 111.9127 -14.2150 -1081.1056 154.0295 0.0000 2736.5486 6505.8983 302.2594 3769.3497 6541.2132 304.0250 PRESSURE: 50400 0 0 0 0 0 0 0 0 0 GPRESSURE: 50400 0 0 0 0 0 0 0 0 0 PRESSAVG: 50400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50400 0 0 0 0 0 0 0 0 0 TIMING: 50400 CPU: 200.993, 0.00397022/step Wall: 200.993, 0.00397022/step, 0.495836 hours remaining, 109.511719 MB of memory in use. ENERGY: 50400 636.2384 1919.8807 2029.2793 107.4759 -13.1503 -1041.1847 156.8266 0.0000 2704.8328 6500.1987 298.7563 3795.3659 6533.6563 301.0452 PRESSURE: 50500 0 0 0 0 0 0 0 0 0 GPRESSURE: 50500 0 0 0 0 0 0 0 0 0 PRESSAVG: 50500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50500 0 0 0 0 0 0 0 0 0 TIMING: 50500 CPU: 201.39, 0.00397692/step Wall: 201.39, 0.00397692/step, 0.496563 hours remaining, 109.511719 MB of memory in use. ENERGY: 50500 647.1565 1893.3058 2019.6386 100.3408 -14.1608 -1042.9657 170.3926 0.0000 2721.4999 6495.2077 300.5972 3773.7078 6526.6589 300.2561 PRESSURE: 50600 0 0 0 0 0 0 0 0 0 GPRESSURE: 50600 0 0 0 0 0 0 0 0 0 PRESSAVG: 50600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50600 0 0 0 0 0 0 0 0 0 TIMING: 50600 CPU: 201.787, 0.00396948/step Wall: 201.787, 0.00396948/step, 0.495523 hours remaining, 109.511719 MB of memory in use. ENERGY: 50600 644.2261 1893.6734 2038.4448 113.8004 -14.3492 -1046.5883 167.0797 0.0000 2720.4019 6516.6890 300.4760 3796.2870 6549.2241 299.6539 PRESSURE: 50700 0 0 0 0 0 0 0 0 0 GPRESSURE: 50700 0 0 0 0 0 0 0 0 0 PRESSAVG: 50700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50700 0 0 0 0 0 0 0 0 0 TIMING: 50700 CPU: 202.185, 0.00397515/step Wall: 202.185, 0.00397515/step, 0.496121 hours remaining, 109.511719 MB of memory in use. ENERGY: 50700 633.8558 1906.9465 2025.8437 113.0643 -13.1125 -1045.5680 160.0478 0.0000 2743.0066 6524.0843 302.9727 3781.0777 6555.8513 301.7787 PRESSURE: 50800 0 0 0 0 0 0 0 0 0 GPRESSURE: 50800 0 0 0 0 0 0 0 0 0 PRESSAVG: 50800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50800 0 0 0 0 0 0 0 0 0 TIMING: 50800 CPU: 202.582, 0.00397101/step Wall: 202.582, 0.00397101/step, 0.495494 hours remaining, 109.511719 MB of memory in use. ENERGY: 50800 669.1629 1911.5674 2019.9552 106.5225 -13.5748 -1029.3587 176.3429 0.0000 2702.4376 6543.0552 298.4918 3840.6176 6574.1342 302.3190 PRESSURE: 50900 0 0 0 0 0 0 0 0 0 GPRESSURE: 50900 0 0 0 0 0 0 0 0 0 PRESSAVG: 50900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50900 0 0 0 0 0 0 0 0 0 TIMING: 50900 CPU: 202.979, 0.0039704/step Wall: 202.979, 0.0039704/step, 0.495308 hours remaining, 109.511719 MB of memory in use. ENERGY: 50900 633.5260 1920.3990 2059.2117 108.5560 -14.5148 -1032.1271 166.1327 0.0000 2675.5407 6516.7242 295.5209 3841.1836 6549.5814 301.3072 PRESSURE: 51000 0 0 0 0 0 0 0 0 0 GPRESSURE: 51000 0 0 0 0 0 0 0 0 0 PRESSAVG: 51000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51000 0 0 0 0 0 0 0 0 0 TIMING: 51000 CPU: 203.377, 0.00397801/step Wall: 203.377, 0.003978/step, 0.496145 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 51000 640.7917 1887.2382 2003.6206 105.0547 -13.4771 -1028.2101 156.7968 0.0000 2769.5240 6521.3388 305.9016 3751.8148 6556.1684 302.5079 PRESSURE: 51100 0 0 0 0 0 0 0 0 0 GPRESSURE: 51100 0 0 0 0 0 0 0 0 0 PRESSAVG: 51100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51100 0 0 0 0 0 0 0 0 0 TIMING: 51100 CPU: 203.774, 0.00397118/step Wall: 203.774, 0.00397119/step, 0.495185 hours remaining, 109.511719 MB of memory in use. ENERGY: 51100 662.6178 1896.4377 2053.9950 94.8710 -14.2322 -1059.6474 171.4899 0.0000 2702.7843 6508.3161 298.5301 3805.5318 6541.6778 301.5980 PRESSURE: 51200 0 0 0 0 0 0 0 0 0 GPRESSURE: 51200 0 0 0 0 0 0 0 0 0 PRESSAVG: 51200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51200 0 0 0 0 0 0 0 0 0 TIMING: 51200 CPU: 204.171, 0.00396861/step Wall: 204.171, 0.00396861/step, 0.494753 hours remaining, 109.511719 MB of memory in use. ENERGY: 51200 668.7701 1887.7235 2036.1905 109.0140 -14.0936 -1057.5117 157.6782 0.0000 2736.9054 6524.6765 302.2988 3787.7711 6560.0979 301.0906 PRESSURE: 51300 0 0 0 0 0 0 0 0 0 GPRESSURE: 51300 0 0 0 0 0 0 0 0 0 PRESSAVG: 51300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51300 0 0 0 0 0 0 0 0 0 TIMING: 51300 CPU: 204.568, 0.00397533/step Wall: 204.568, 0.00397533/step, 0.495481 hours remaining, 109.511719 MB of memory in use. ENERGY: 51300 661.1730 1959.7801 2014.5237 96.7909 -13.4308 -1048.2553 154.3804 0.0000 2725.3089 6550.2710 301.0180 3824.9620 6584.4152 302.0840 PRESSURE: 51400 0 0 0 0 0 0 0 0 0 GPRESSURE: 51400 0 0 0 0 0 0 0 0 0 PRESSAVG: 51400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51400 0 0 0 0 0 0 0 0 0 TIMING: 51400 CPU: 204.965, 0.00397132/step Wall: 204.965, 0.00397132/step, 0.49487 hours remaining, 109.511719 MB of memory in use. ENERGY: 51400 674.9813 1889.1506 2005.8138 118.2884 -13.6275 -1053.5684 160.3094 0.0000 2804.2659 6585.6135 309.7390 3781.3477 6621.6721 304.5575 PRESSURE: 51500 0 0 0 0 0 0 0 0 0 GPRESSURE: 51500 0 0 0 0 0 0 0 0 0 PRESSAVG: 51500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51500 0 0 0 0 0 0 0 0 0 TIMING: 51500 CPU: 205.364, 0.00398117/step Wall: 205.364, 0.00398117/step, 0.495988 hours remaining, 109.511719 MB of memory in use. ENERGY: 51500 673.5000 1910.5004 1997.6834 105.1499 -12.8173 -1061.2529 166.3593 0.0000 2761.1707 6540.2934 304.9790 3779.1227 6572.2673 303.4974 PRESSURE: 51600 0 0 0 0 0 0 0 0 0 GPRESSURE: 51600 0 0 0 0 0 0 0 0 0 PRESSAVG: 51600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51600 0 0 0 0 0 0 0 0 0 TIMING: 51600 CPU: 205.761, 0.00397143/step Wall: 205.761, 0.00397143/step, 0.494664 hours remaining, 109.511719 MB of memory in use. ENERGY: 51600 646.2516 1963.7728 2032.2106 111.9406 -13.3854 -1054.9656 157.4471 0.0000 2687.0778 6530.3495 296.7952 3843.2717 6561.5026 303.3785 PRESSURE: 51700 0 0 0 0 0 0 0 0 0 GPRESSURE: 51700 0 0 0 0 0 0 0 0 0 PRESSAVG: 51700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51700 0 0 0 0 0 0 0 0 0 TIMING: 51700 CPU: 206.158, 0.00397065/step Wall: 206.158, 0.00397065/step, 0.494456 hours remaining, 109.511719 MB of memory in use. ENERGY: 51700 643.0854 1890.6778 2010.9860 116.2420 -14.5775 -1021.4849 163.5710 0.0000 2764.5885 6553.0882 305.3565 3788.4997 6591.0807 302.6886 PRESSURE: 51800 0 0 0 0 0 0 0 0 0 GPRESSURE: 51800 0 0 0 0 0 0 0 0 0 PRESSAVG: 51800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51800 0 0 0 0 0 0 0 0 0 TIMING: 51800 CPU: 206.556, 0.00397774/step Wall: 206.556, 0.00397773/step, 0.495227 hours remaining, 109.511719 MB of memory in use. ENERGY: 51800 671.6265 1860.0418 2013.6706 109.9003 -12.9465 -1059.7086 161.9491 0.0000 2798.2815 6542.8147 309.0780 3744.5332 6581.1534 303.3563 PRESSURE: 51900 0 0 0 0 0 0 0 0 0 GPRESSURE: 51900 0 0 0 0 0 0 0 0 0 PRESSAVG: 51900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51900 0 0 0 0 0 0 0 0 0 TIMING: 51900 CPU: 206.953, 0.00397308/step Wall: 206.953, 0.00397309/step, 0.494539 hours remaining, 109.511719 MB of memory in use. ENERGY: 51900 655.3994 1864.4352 2024.6233 104.8697 -13.6767 -1014.2190 158.4648 0.0000 2771.5272 6551.4240 306.1229 3779.8968 6589.9220 303.8788 PRESSURE: 52000 0 0 0 0 0 0 0 0 0 GPRESSURE: 52000 0 0 0 0 0 0 0 0 0 PRESSAVG: 52000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52000 0 0 0 0 0 0 0 0 0 TIMING: 52000 CPU: 207.351, 0.00398481/step Wall: 207.351, 0.00398481/step, 0.495887 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 52000 667.2897 1887.1675 1997.7491 95.9683 -13.3277 -1020.2544 173.2531 0.0000 2747.2866 6535.1322 303.4455 3787.8456 6571.4673 302.8334 PRESSURE: 52100 0 0 0 0 0 0 0 0 0 GPRESSURE: 52100 0 0 0 0 0 0 0 0 0 PRESSAVG: 52100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52100 0 0 0 0 0 0 0 0 0 TIMING: 52100 CPU: 207.749, 0.00397397/step Wall: 207.749, 0.00397397/step, 0.494428 hours remaining, 109.511719 MB of memory in use. ENERGY: 52100 659.0796 1942.8986 2011.7386 103.8371 -12.8630 -1085.3676 159.8884 0.0000 2747.3880 6526.5996 303.4567 3779.2116 6561.2778 301.9166 PRESSURE: 52200 0 0 0 0 0 0 0 0 0 GPRESSURE: 52200 0 0 0 0 0 0 0 0 0 PRESSAVG: 52200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52200 0 0 0 0 0 0 0 0 0 TIMING: 52200 CPU: 208.146, 0.00397052/step Wall: 208.146, 0.00397052/step, 0.493889 hours remaining, 109.511719 MB of memory in use. ENERGY: 52200 627.9132 1926.6906 2034.6977 110.0356 -13.5372 -1035.1495 175.9531 0.0000 2719.3400 6545.9434 300.3587 3826.6035 6581.9750 302.4403 LDB: ============= START OF LOAD BALANCING ============== 210.921 LDB: ============== END OF LOAD BALANCING =============== 210.921 LDB: =============== DONE WITH MIGRATION ================ 210.921 PRESSURE: 52300 0 0 0 0 0 0 0 0 0 GPRESSURE: 52300 0 0 0 0 0 0 0 0 0 PRESSAVG: 52300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52300 0 0 0 0 0 0 0 0 0 TIMING: 52300 CPU: 208.544, 0.0039777/step Wall: 208.544, 0.0039777/step, 0.494671 hours remaining, 109.511719 MB of memory in use. ENERGY: 52300 643.1933 1894.7094 2040.6065 124.2987 -13.9302 -1030.1098 157.8731 0.0000 2706.6208 6523.2617 298.9538 3816.6410 6555.0355 302.2723 LDB: ============= START OF LOAD BALANCING ============== 211.319 LDB: ============== END OF LOAD BALANCING =============== 211.319 LDB: =============== DONE WITH MIGRATION ================ 211.319 PRESSURE: 52400 0 0 0 0 0 0 0 0 0 GPRESSURE: 52400 0 0 0 0 0 0 0 0 0 PRESSAVG: 52400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52400 0 0 0 0 0 0 0 0 0 TIMING: 52400 CPU: 208.941, 0.00397737/step Wall: 208.941, 0.00397737/step, 0.49452 hours remaining, 109.511719 MB of memory in use. ENERGY: 52400 660.5812 1922.9019 2000.6889 95.5249 -14.3905 -1013.3475 153.2876 0.0000 2718.8261 6524.0727 300.3019 3805.2466 6555.4824 302.0064 PRESSURE: 52500 0 0 0 0 0 0 0 0 0 GPRESSURE: 52500 0 0 0 0 0 0 0 0 0 PRESSAVG: 52500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52500 0 0 0 0 0 0 0 0 0 TIMING: 52500 CPU: 209.339, 0.00397839/step Wall: 209.339, 0.00397839/step, 0.494536 hours remaining, 109.511719 MB of memory in use. ENERGY: 52500 670.3675 1887.8163 2029.8092 109.5464 -14.0959 -1059.6563 171.4639 0.0000 2737.7749 6533.0260 302.3949 3795.2510 6565.7483 302.0467 PRESSURE: 52600 0 0 0 0 0 0 0 0 0 GPRESSURE: 52600 0 0 0 0 0 0 0 0 0 PRESSAVG: 52600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52600 0 0 0 0 0 0 0 0 0 TIMING: 52600 CPU: 209.736, 0.00396966/step Wall: 209.736, 0.00396966/step, 0.49334 hours remaining, 109.511719 MB of memory in use. ENERGY: 52600 665.1782 1874.2857 2019.4598 106.6327 -14.7092 -1051.1035 152.1116 0.0000 2766.5174 6518.3728 305.5696 3751.8553 6555.0168 302.7837 PRESSURE: 52700 0 0 0 0 0 0 0 0 0 GPRESSURE: 52700 0 0 0 0 0 0 0 0 0 PRESSAVG: 52700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52700 0 0 0 0 0 0 0 0 0 TIMING: 52700 CPU: 210.133, 0.0039712/step Wall: 210.133, 0.0039712/step, 0.493422 hours remaining, 109.511719 MB of memory in use. ENERGY: 52700 644.0535 1884.9911 2022.0890 96.3433 -13.4641 -1052.3107 160.5464 0.0000 2795.5579 6537.8065 308.7772 3742.2487 6570.3172 303.4269 PRESSURE: 52800 0 0 0 0 0 0 0 0 0 GPRESSURE: 52800 0 0 0 0 0 0 0 0 0 PRESSAVG: 52800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52800 0 0 0 0 0 0 0 0 0 TIMING: 52800 CPU: 210.531, 0.00397613/step Wall: 210.531, 0.00397613/step, 0.493924 hours remaining, 109.511719 MB of memory in use. ENERGY: 52800 673.9175 1940.8909 2028.2215 112.0590 -13.0011 -1010.1345 175.6537 0.0000 2678.0996 6585.7067 295.8036 3907.6070 6616.6577 304.5650 PRESSURE: 52900 0 0 0 0 0 0 0 0 0 GPRESSURE: 52900 0 0 0 0 0 0 0 0 0 PRESSAVG: 52900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52900 0 0 0 0 0 0 0 0 0 TIMING: 52900 CPU: 210.928, 0.00397176/step Wall: 210.928, 0.00397176/step, 0.493271 hours remaining, 109.511719 MB of memory in use. ENERGY: 52900 657.7485 1901.1526 1998.3258 104.5231 -14.0628 -1030.1775 167.9716 0.0000 2772.8379 6558.3192 306.2677 3785.4813 6591.6514 304.9191 PRESSURE: 53000 0 0 0 0 0 0 0 0 0 GPRESSURE: 53000 0 0 0 0 0 0 0 0 0 PRESSAVG: 53000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53000 0 0 0 0 0 0 0 0 0 TIMING: 53000 CPU: 211.326, 0.00398038/step Wall: 211.326, 0.00398038/step, 0.49423 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 53000 631.3770 1876.9376 2041.5285 102.8045 -12.6714 -1027.9767 159.3858 0.0000 2779.9099 6551.2952 307.0488 3771.3852 6584.3100 303.9694 PRESSURE: 53100 0 0 0 0 0 0 0 0 0 GPRESSURE: 53100 0 0 0 0 0 0 0 0 0 PRESSAVG: 53100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53100 0 0 0 0 0 0 0 0 0 TIMING: 53100 CPU: 211.723, 0.00397114/step Wall: 211.723, 0.00397114/step, 0.492973 hours remaining, 109.511719 MB of memory in use. ENERGY: 53100 636.2742 1899.8508 2016.0001 121.3178 -13.0377 -1018.7111 180.9091 0.0000 2741.8644 6564.4675 302.8466 3822.6032 6597.5460 303.2365 PRESSURE: 53200 0 0 0 0 0 0 0 0 0 GPRESSURE: 53200 0 0 0 0 0 0 0 0 0 PRESSAVG: 53200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53200 0 0 0 0 0 0 0 0 0 TIMING: 53200 CPU: 212.12, 0.00397023/step Wall: 212.12, 0.00397023/step, 0.49275 hours remaining, 109.511719 MB of memory in use. ENERGY: 53200 685.2501 1852.2057 2023.4620 114.5722 -13.2193 -1046.1939 161.9539 0.0000 2778.9225 6556.9532 306.9397 3778.0307 6590.1833 304.7895 PRESSURE: 53300 0 0 0 0 0 0 0 0 0 GPRESSURE: 53300 0 0 0 0 0 0 0 0 0 PRESSAVG: 53300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53300 0 0 0 0 0 0 0 0 0 TIMING: 53300 CPU: 212.518, 0.00397683/step Wall: 212.518, 0.00397683/step, 0.493459 hours remaining, 109.511719 MB of memory in use. ENERGY: 53300 680.6017 1896.0044 2035.0130 112.1976 -14.7110 -1060.2710 174.0287 0.0000 2741.5526 6564.4160 302.8121 3822.8634 6600.4549 304.5909 PRESSURE: 53400 0 0 0 0 0 0 0 0 0 GPRESSURE: 53400 0 0 0 0 0 0 0 0 0 PRESSAVG: 53400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53400 0 0 0 0 0 0 0 0 0 TIMING: 53400 CPU: 212.915, 0.00396894/step Wall: 212.915, 0.00396894/step, 0.492369 hours remaining, 109.511719 MB of memory in use. ENERGY: 53400 696.8362 1881.0086 2034.1823 103.9558 -14.4043 -1014.9664 164.2142 0.0000 2710.5337 6561.3600 299.3860 3850.8263 6593.3544 302.4077 PRESSURE: 53500 0 0 0 0 0 0 0 0 0 GPRESSURE: 53500 0 0 0 0 0 0 0 0 0 PRESSAVG: 53500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53500 0 0 0 0 0 0 0 0 0 TIMING: 53500 CPU: 213.313, 0.00397914/step Wall: 213.313, 0.00397914/step, 0.493524 hours remaining, 109.511719 MB of memory in use. ENERGY: 53500 704.8366 1883.4848 2011.8668 108.2556 -14.2629 -1042.2745 166.9066 0.0000 2755.3470 6574.1600 304.3358 3818.8130 6605.6503 302.7612 PRESSURE: 53600 0 0 0 0 0 0 0 0 0 GPRESSURE: 53600 0 0 0 0 0 0 0 0 0 PRESSAVG: 53600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53600 0 0 0 0 0 0 0 0 0 TIMING: 53600 CPU: 213.71, 0.00396905/step Wall: 213.71, 0.00396905/step, 0.492162 hours remaining, 109.511719 MB of memory in use. ENERGY: 53600 678.0373 1903.1838 2020.0203 107.3383 -14.0380 -1081.4314 163.3175 0.0000 2779.6015 6556.0294 307.0147 3776.4278 6591.9027 304.1496 PRESSURE: 53700 0 0 0 0 0 0 0 0 0 GPRESSURE: 53700 0 0 0 0 0 0 0 0 0 PRESSAVG: 53700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53700 0 0 0 0 0 0 0 0 0 TIMING: 53700 CPU: 214.107, 0.00397119/step Wall: 214.107, 0.00397119/step, 0.492317 hours remaining, 109.511719 MB of memory in use. ENERGY: 53700 706.3020 1903.8951 2007.5726 87.6883 -14.0606 -1010.1045 176.7044 0.0000 2688.3388 6546.3360 296.9345 3857.9973 6580.4761 303.5310 PRESSURE: 53800 0 0 0 0 0 0 0 0 0 GPRESSURE: 53800 0 0 0 0 0 0 0 0 0 PRESSAVG: 53800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53800 0 0 0 0 0 0 0 0 0 TIMING: 53800 CPU: 214.504, 0.00397483/step Wall: 214.504, 0.00397483/step, 0.492658 hours remaining, 109.511719 MB of memory in use. ENERGY: 53800 637.3822 1958.9447 1990.1926 105.3875 -15.2986 -1041.3021 150.5578 0.0000 2756.4018 6542.2660 304.4523 3785.8642 6578.0551 303.5937 PRESSURE: 53900 0 0 0 0 0 0 0 0 0 GPRESSURE: 53900 0 0 0 0 0 0 0 0 0 PRESSAVG: 53900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53900 0 0 0 0 0 0 0 0 0 TIMING: 53900 CPU: 214.901, 0.00396938/step Wall: 214.901, 0.00396938/step, 0.491872 hours remaining, 109.511719 MB of memory in use. ENERGY: 53900 675.5896 1892.3558 2020.5891 113.2238 -13.1458 -1026.5509 171.4225 0.0000 2710.9328 6544.4168 299.4301 3833.4840 6578.7211 302.4292 PRESSURE: 54000 0 0 0 0 0 0 0 0 0 GPRESSURE: 54000 0 0 0 0 0 0 0 0 0 PRESSAVG: 54000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54000 0 0 0 0 0 0 0 0 0 TIMING: 54000 CPU: 215.299, 0.00397926/step Wall: 215.299, 0.00397926/step, 0.492986 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 54000 651.2259 1921.0841 2013.6330 111.0500 -13.1421 -1032.2020 148.5239 0.0000 2692.1458 6492.3186 297.3550 3800.1728 6524.5577 301.2332 PRESSURE: 54100 0 0 0 0 0 0 0 0 0 GPRESSURE: 54100 0 0 0 0 0 0 0 0 0 PRESSAVG: 54100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54100 0 0 0 0 0 0 0 0 0 TIMING: 54100 CPU: 215.696, 0.00397/step Wall: 215.696, 0.00397/step, 0.491728 hours remaining, 109.511719 MB of memory in use. ENERGY: 54100 649.3733 1890.6807 2006.3725 112.7414 -14.7423 -1055.7644 155.3469 0.0000 2729.1297 6473.1378 301.4400 3744.0081 6507.7695 300.3615 PRESSURE: 54200 0 0 0 0 0 0 0 0 0 GPRESSURE: 54200 0 0 0 0 0 0 0 0 0 PRESSAVG: 54200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54200 0 0 0 0 0 0 0 0 0 TIMING: 54200 CPU: 216.093, 0.00397156/step Wall: 216.093, 0.00397156/step, 0.491812 hours remaining, 109.511719 MB of memory in use. ENERGY: 54200 616.6342 1872.1031 2030.2595 97.4768 -14.6279 -1010.4602 145.9385 0.0000 2720.1445 6457.4685 300.4475 3737.3240 6491.5885 299.0030 PRESSURE: 54300 0 0 0 0 0 0 0 0 0 GPRESSURE: 54300 0 0 0 0 0 0 0 0 0 PRESSAVG: 54300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54300 0 0 0 0 0 0 0 0 0 TIMING: 54300 CPU: 216.491, 0.00397674/step Wall: 216.491, 0.00397674/step, 0.492343 hours remaining, 109.511719 MB of memory in use. ENERGY: 54300 656.6063 1901.7733 1994.5683 106.2730 -13.3573 -1054.4053 165.4306 0.0000 2671.8201 6428.7090 295.1100 3756.8889 6458.8462 296.6810 PRESSURE: 54400 0 0 0 0 0 0 0 0 0 GPRESSURE: 54400 0 0 0 0 0 0 0 0 0 PRESSAVG: 54400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54400 0 0 0 0 0 0 0 0 0 TIMING: 54400 CPU: 216.888, 0.00397306/step Wall: 216.888, 0.00397306/step, 0.491776 hours remaining, 109.511719 MB of memory in use. ENERGY: 54400 644.7835 1933.4317 2030.4542 98.1557 -14.1659 -1067.3005 178.1455 0.0000 2634.8365 6438.3408 291.0250 3803.5043 6470.9596 296.6145 PRESSURE: 54500 0 0 0 0 0 0 0 0 0 GPRESSURE: 54500 0 0 0 0 0 0 0 0 0 PRESSAVG: 54500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54500 0 0 0 0 0 0 0 0 0 TIMING: 54500 CPU: 217.286, 0.00397897/step Wall: 217.286, 0.00397897/step, 0.492398 hours remaining, 109.511719 MB of memory in use. ENERGY: 54500 666.4248 1882.5967 2014.8479 104.1612 -13.9525 -1084.5895 157.4338 0.0000 2708.2990 6435.2214 299.1392 3726.9224 6464.5573 298.1827 PRESSURE: 54600 0 0 0 0 0 0 0 0 0 GPRESSURE: 54600 0 0 0 0 0 0 0 0 0 PRESSAVG: 54600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54600 0 0 0 0 0 0 0 0 0 TIMING: 54600 CPU: 217.683, 0.00397088/step Wall: 217.683, 0.00397087/step, 0.491285 hours remaining, 109.511719 MB of memory in use. ENERGY: 54600 628.7167 1883.6526 2017.2114 121.2590 -15.1687 -1059.4176 163.0752 0.0000 2653.3204 6392.6491 293.0666 3739.3288 6427.4636 295.2810 PRESSURE: 54700 0 0 0 0 0 0 0 0 0 GPRESSURE: 54700 0 0 0 0 0 0 0 0 0 PRESSAVG: 54700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54700 0 0 0 0 0 0 0 0 0 TIMING: 54700 CPU: 218.08, 0.00396947/step Wall: 218.08, 0.00396948/step, 0.491002 hours remaining, 109.511719 MB of memory in use. ENERGY: 54700 625.4446 1835.3798 2025.3577 106.6822 -14.2539 -1017.9818 165.5776 0.0000 2635.3248 6361.5309 291.0790 3726.2062 6389.3497 293.9754 PRESSURE: 54800 0 0 0 0 0 0 0 0 0 GPRESSURE: 54800 0 0 0 0 0 0 0 0 0 PRESSAVG: 54800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54800 0 0 0 0 0 0 0 0 0 TIMING: 54800 CPU: 218.478, 0.00397699/step Wall: 218.478, 0.00397698/step, 0.49182 hours remaining, 109.511719 MB of memory in use. ENERGY: 54800 657.0154 1865.8293 1991.6963 106.7634 -13.3413 -1049.1417 158.5694 0.0000 2667.0857 6384.4766 294.5870 3717.3908 6418.1305 293.7658 PRESSURE: 54900 0 0 0 0 0 0 0 0 0 GPRESSURE: 54900 0 0 0 0 0 0 0 0 0 PRESSAVG: 54900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54900 0 0 0 0 0 0 0 0 0 TIMING: 54900 CPU: 218.875, 0.00397245/step Wall: 218.875, 0.00397246/step, 0.49115 hours remaining, 109.511719 MB of memory in use. ENERGY: 54900 610.0320 1858.0438 2009.5684 95.0202 -14.0887 -1038.5000 164.2524 0.0000 2669.4093 6353.7373 294.8437 3684.3280 6387.1460 294.1164 PRESSURE: 55000 0 0 0 0 0 0 0 0 0 GPRESSURE: 55000 0 0 0 0 0 0 0 0 0 PRESSAVG: 55000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55000 0 0 0 0 0 0 0 0 0 TIMING: 55000 CPU: 219.273, 0.00397863/step Wall: 219.273, 0.00397863/step, 0.491803 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 55000 635.5189 1871.9178 1986.1932 108.1006 -14.8009 -1069.2596 162.2254 0.0000 2668.4776 6348.3729 294.7408 3679.8953 6382.3406 293.3273 PRESSURE: 55100 0 0 0 0 0 0 0 0 0 GPRESSURE: 55100 0 0 0 0 0 0 0 0 0 PRESSAVG: 55100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55100 0 0 0 0 0 0 0 0 0 TIMING: 55100 CPU: 219.67, 0.00397132/step Wall: 219.67, 0.00397132/step, 0.490789 hours remaining, 109.511719 MB of memory in use. ENERGY: 55100 623.3907 1884.6374 1977.4833 89.0237 -13.3203 -1014.5265 164.9640 0.0000 2688.8550 6400.5073 296.9915 3711.6523 6431.1304 294.6793 PRESSURE: 55200 0 0 0 0 0 0 0 0 0 GPRESSURE: 55200 0 0 0 0 0 0 0 0 0 PRESSAVG: 55200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55200 0 0 0 0 0 0 0 0 0 TIMING: 55200 CPU: 220.067, 0.00397201/step Wall: 220.067, 0.00397201/step, 0.490764 hours remaining, 109.511719 MB of memory in use. ENERGY: 55200 641.8345 1845.4596 2020.8498 104.1698 -14.9555 -1054.8147 164.2526 0.0000 2735.6459 6442.4420 302.1597 3706.7961 6475.6232 295.4377 PRESSURE: 55300 0 0 0 0 0 0 0 0 0 GPRESSURE: 55300 0 0 0 0 0 0 0 0 0 PRESSAVG: 55300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55300 0 0 0 0 0 0 0 0 0 TIMING: 55300 CPU: 220.465, 0.00397747/step Wall: 220.465, 0.00397747/step, 0.491328 hours remaining, 109.511719 MB of memory in use. ENERGY: 55300 663.5237 1872.6671 2000.6823 94.1858 -13.4587 -1036.4872 159.1704 0.0000 2730.9888 6471.2722 301.6453 3740.2834 6504.8501 298.7909 PRESSURE: 55400 0 0 0 0 0 0 0 0 0 GPRESSURE: 55400 0 0 0 0 0 0 0 0 0 PRESSAVG: 55400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55400 0 0 0 0 0 0 0 0 0 TIMING: 55400 CPU: 220.862, 0.00397086/step Wall: 220.862, 0.00397086/step, 0.490401 hours remaining, 109.511719 MB of memory in use. ENERGY: 55400 678.9382 1858.5179 2003.7206 110.4055 -13.2004 -1031.3990 166.0082 0.0000 2723.3162 6496.3071 300.7979 3772.9909 6529.4302 299.3813 PRESSURE: 55500 0 0 0 0 0 0 0 0 0 GPRESSURE: 55500 0 0 0 0 0 0 0 0 0 PRESSAVG: 55500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55500 0 0 0 0 0 0 0 0 0 TIMING: 55500 CPU: 221.26, 0.00397546/step Wall: 221.26, 0.00397546/step, 0.490859 hours remaining, 109.511719 MB of memory in use. ENERGY: 55500 613.6418 1888.6421 1985.3456 105.9236 -14.5247 -1012.6067 174.2249 0.0000 2802.4498 6543.0964 309.5384 3740.6466 6578.0867 300.6542 PRESSURE: 55600 0 0 0 0 0 0 0 0 0 GPRESSURE: 55600 0 0 0 0 0 0 0 0 0 PRESSAVG: 55600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55600 0 0 0 0 0 0 0 0 0 TIMING: 55600 CPU: 221.657, 0.00397178/step Wall: 221.657, 0.00397178/step, 0.490294 hours remaining, 109.511719 MB of memory in use. ENERGY: 55600 659.5529 1900.8674 2013.7342 93.6704 -14.3654 -1041.7021 165.8099 0.0000 2791.1342 6568.7016 308.2885 3777.5674 6606.8352 304.2136 PRESSURE: 55700 0 0 0 0 0 0 0 0 0 GPRESSURE: 55700 0 0 0 0 0 0 0 0 0 PRESSAVG: 55700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55700 0 0 0 0 0 0 0 0 0 TIMING: 55700 CPU: 222.054, 0.00397177/step Wall: 222.054, 0.00397177/step, 0.490183 hours remaining, 109.511719 MB of memory in use. ENERGY: 55700 618.9135 1972.6677 2039.1515 100.5677 -13.8293 -1024.4172 183.0457 0.0000 2730.0910 6606.1906 301.5462 3876.0996 6638.5840 304.8555 PRESSURE: 55800 0 0 0 0 0 0 0 0 0 GPRESSURE: 55800 0 0 0 0 0 0 0 0 0 PRESSAVG: 55800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55800 0 0 0 0 0 0 0 0 0 TIMING: 55800 CPU: 222.451, 0.00397424/step Wall: 222.451, 0.00397424/step, 0.490377 hours remaining, 109.511719 MB of memory in use. ENERGY: 55800 656.1277 1888.0523 2028.8631 111.0642 -13.5539 -1021.9552 167.6282 0.0000 2815.6704 6631.8967 310.9986 3816.2264 6667.5247 305.0362 PRESSURE: 55900 0 0 0 0 0 0 0 0 0 GPRESSURE: 55900 0 0 0 0 0 0 0 0 0 PRESSAVG: 55900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55900 0 0 0 0 0 0 0 0 0 TIMING: 55900 CPU: 222.849, 0.00397133/step Wall: 222.849, 0.00397133/step, 0.489908 hours remaining, 109.511719 MB of memory in use. ENERGY: 55900 692.6194 1912.6718 2020.4999 97.9071 -14.2576 -1048.6657 159.5074 0.0000 2781.1611 6601.4433 307.1870 3820.2822 6634.2147 306.7325 PRESSURE: 56000 0 0 0 0 0 0 0 0 0 GPRESSURE: 56000 0 0 0 0 0 0 0 0 0 PRESSAVG: 56000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56000 0 0 0 0 0 0 0 0 0 TIMING: 56000 CPU: 223.246, 0.00397432/step Wall: 223.246, 0.00397432/step, 0.490166 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 56000 679.4841 1908.3533 2031.1141 111.5987 -13.5314 -1028.4520 154.0032 0.0000 2732.8647 6575.4347 301.8525 3842.5700 6608.9634 305.3021 PRESSURE: 56100 0 0 0 0 0 0 0 0 0 GPRESSURE: 56100 0 0 0 0 0 0 0 0 0 PRESSAVG: 56100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56100 0 0 0 0 0 0 0 0 0 TIMING: 56100 CPU: 223.643, 0.00397462/step Wall: 223.643, 0.00397462/step, 0.490093 hours remaining, 109.511719 MB of memory in use. ENERGY: 56100 664.1060 1897.1293 2018.2279 103.0396 -14.0524 -1067.2368 173.5702 0.0000 2758.4558 6533.2395 304.6791 3774.7837 6566.3968 303.3010 PRESSURE: 56200 0 0 0 0 0 0 0 0 0 GPRESSURE: 56200 0 0 0 0 0 0 0 0 0 PRESSAVG: 56200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56200 0 0 0 0 0 0 0 0 0 TIMING: 56200 CPU: 224.041, 0.00397081/step Wall: 224.041, 0.00397081/step, 0.489513 hours remaining, 109.511719 MB of memory in use. ENERGY: 56200 671.1105 1906.0939 2017.3956 119.6697 -13.3343 -1020.2615 163.0574 0.0000 2693.1688 6536.9001 297.4680 3843.7313 6568.8211 302.3993 LDB: ============= START OF LOAD BALANCING ============== 226.816 LDB: ============== END OF LOAD BALANCING =============== 226.816 LDB: =============== DONE WITH MIGRATION ================ 226.816 PRESSURE: 56300 0 0 0 0 0 0 0 0 0 GPRESSURE: 56300 0 0 0 0 0 0 0 0 0 PRESSAVG: 56300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56300 0 0 0 0 0 0 0 0 0 TIMING: 56300 CPU: 224.438, 0.0039746/step Wall: 224.438, 0.0039746/step, 0.489869 hours remaining, 109.511719 MB of memory in use. ENERGY: 56300 644.4536 1931.4249 2015.4865 106.0266 -13.2944 -1009.1496 169.5665 0.0000 2691.4088 6535.9230 297.2736 3844.5142 6564.7928 300.2951 LDB: ============= START OF LOAD BALANCING ============== 227.213 LDB: ============== END OF LOAD BALANCING =============== 227.213 LDB: =============== DONE WITH MIGRATION ================ 227.213 PRESSURE: 56400 0 0 0 0 0 0 0 0 0 GPRESSURE: 56400 0 0 0 0 0 0 0 0 0 PRESSAVG: 56400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56400 0 0 0 0 0 0 0 0 0 TIMING: 56400 CPU: 224.836, 0.00397853/step Wall: 224.836, 0.00397853/step, 0.490243 hours remaining, 109.511719 MB of memory in use. ENERGY: 56400 671.1393 1919.1458 2023.6477 103.9576 -11.6075 -1070.8763 160.3351 0.0000 2758.7652 6554.5069 304.7133 3795.7417 6587.6899 302.0289 PRESSURE: 56500 0 0 0 0 0 0 0 0 0 GPRESSURE: 56500 0 0 0 0 0 0 0 0 0 PRESSAVG: 56500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56500 0 0 0 0 0 0 0 0 0 TIMING: 56500 CPU: 225.233, 0.00396976/step Wall: 225.233, 0.00396976/step, 0.489052 hours remaining, 109.511719 MB of memory in use. ENERGY: 56500 674.7743 1880.0971 2015.8936 99.0052 -13.2136 -1040.0702 167.7189 0.0000 2757.1880 6541.3934 304.5391 3784.2053 6573.4385 302.4974 PRESSURE: 56600 0 0 0 0 0 0 0 0 0 GPRESSURE: 56600 0 0 0 0 0 0 0 0 0 PRESSAVG: 56600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56600 0 0 0 0 0 0 0 0 0 TIMING: 56600 CPU: 225.63, 0.00397076/step Wall: 225.63, 0.00397076/step, 0.489065 hours remaining, 109.511719 MB of memory in use. ENERGY: 56600 649.9368 1899.4894 2032.0376 114.1646 -13.4850 -1040.4072 164.9861 0.0000 2757.1794 6563.9017 304.5381 3806.7223 6598.4460 303.3513 PRESSURE: 56700 0 0 0 0 0 0 0 0 0 GPRESSURE: 56700 0 0 0 0 0 0 0 0 0 PRESSAVG: 56700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56700 0 0 0 0 0 0 0 0 0 TIMING: 56700 CPU: 226.027, 0.00397013/step Wall: 226.027, 0.00397013/step, 0.488877 hours remaining, 109.511719 MB of memory in use. ENERGY: 56700 617.9417 1913.2816 2010.3187 98.5808 -13.3156 -1041.6211 155.7458 0.0000 2825.5563 6566.4883 312.0906 3740.9320 6602.4281 304.0567 PRESSURE: 56800 0 0 0 0 0 0 0 0 0 GPRESSURE: 56800 0 0 0 0 0 0 0 0 0 PRESSAVG: 56800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56800 0 0 0 0 0 0 0 0 0 TIMING: 56800 CPU: 226.424, 0.00397288/step Wall: 226.424, 0.00397288/step, 0.489106 hours remaining, 109.511719 MB of memory in use. ENERGY: 56800 661.7456 1920.9784 2035.9631 114.4714 -12.9066 -1029.9929 161.5582 0.0000 2683.6443 6535.4615 296.4160 3851.8172 6565.0448 305.1913 PRESSURE: 56900 0 0 0 0 0 0 0 0 0 GPRESSURE: 56900 0 0 0 0 0 0 0 0 0 PRESSAVG: 56900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56900 0 0 0 0 0 0 0 0 0 TIMING: 56900 CPU: 226.821, 0.00397248/step Wall: 226.821, 0.00397248/step, 0.488946 hours remaining, 109.511719 MB of memory in use. ENERGY: 56900 635.9762 1980.8360 1979.7020 100.6666 -13.2668 -1008.7847 173.7806 0.0000 2668.2107 6517.1205 294.7113 3848.9098 6548.1299 301.2029 PRESSURE: 57000 0 0 0 0 0 0 0 0 0 GPRESSURE: 57000 0 0 0 0 0 0 0 0 0 PRESSAVG: 57000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57000 0 0 0 0 0 0 0 0 0 TIMING: 57000 CPU: 227.218, 0.00397052/step Wall: 227.218, 0.00397052/step, 0.488595 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 57000 636.6715 1903.2806 2025.8945 111.9127 -13.3165 -1058.6757 170.2345 0.0000 2745.9404 6521.9419 303.2968 3776.0015 6553.9394 300.9501 PRESSURE: 57100 0 0 0 0 0 0 0 0 0 GPRESSURE: 57100 0 0 0 0 0 0 0 0 0 PRESSAVG: 57100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57100 0 0 0 0 0 0 0 0 0 TIMING: 57100 CPU: 227.616, 0.00397331/step Wall: 227.616, 0.00397331/step, 0.488827 hours remaining, 109.511719 MB of memory in use. ENERGY: 57100 652.1297 1881.8103 1998.6895 110.8552 -14.0304 -1039.4729 166.1997 0.0000 2797.5830 6553.7640 309.0008 3756.1810 6588.7650 303.5134 PRESSURE: 57200 0 0 0 0 0 0 0 0 0 GPRESSURE: 57200 0 0 0 0 0 0 0 0 0 PRESSAVG: 57200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57200 0 0 0 0 0 0 0 0 0 TIMING: 57200 CPU: 228.013, 0.00397047/step Wall: 228.013, 0.00397047/step, 0.488368 hours remaining, 109.511719 MB of memory in use. ENERGY: 57200 674.1196 1949.2209 2022.8923 105.6484 -13.3851 -1045.6918 190.3557 0.0000 2715.2350 6598.3947 299.9053 3883.1598 6630.8307 304.2050 PRESSURE: 57300 0 0 0 0 0 0 0 0 0 GPRESSURE: 57300 0 0 0 0 0 0 0 0 0 PRESSAVG: 57300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57300 0 0 0 0 0 0 0 0 0 TIMING: 57300 CPU: 228.41, 0.0039728/step Wall: 228.41, 0.0039728/step, 0.488544 hours remaining, 109.511719 MB of memory in use. ENERGY: 57300 633.1920 1874.3389 2024.4064 102.8187 -13.4600 -1016.2724 167.1760 0.0000 2823.1147 6595.3142 311.8209 3772.1995 6633.0703 304.5644 PRESSURE: 57400 0 0 0 0 0 0 0 0 0 GPRESSURE: 57400 0 0 0 0 0 0 0 0 0 PRESSAVG: 57400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57400 0 0 0 0 0 0 0 0 0 TIMING: 57400 CPU: 228.807, 0.00397169/step Wall: 228.807, 0.00397169/step, 0.488297 hours remaining, 109.511719 MB of memory in use. ENERGY: 57400 648.0096 1903.4496 2027.7393 114.2938 -13.1462 -1051.6259 161.4196 0.0000 2791.5800 6581.7197 308.3378 3790.1397 6614.9774 305.7975 PRESSURE: 57500 0 0 0 0 0 0 0 0 0 GPRESSURE: 57500 0 0 0 0 0 0 0 0 0 PRESSAVG: 57500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57500 0 0 0 0 0 0 0 0 0 TIMING: 57500 CPU: 229.204, 0.00397033/step Wall: 229.204, 0.00397033/step, 0.48802 hours remaining, 109.511719 MB of memory in use. ENERGY: 57500 676.1085 1888.8377 2025.9528 107.9645 -13.0376 -1051.4172 171.6365 0.0000 2774.3676 6580.4129 306.4366 3806.0452 6614.1825 305.6948 PRESSURE: 57600 0 0 0 0 0 0 0 0 0 GPRESSURE: 57600 0 0 0 0 0 0 0 0 0 PRESSAVG: 57600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57600 0 0 0 0 0 0 0 0 0 TIMING: 57600 CPU: 229.602, 0.00397374/step Wall: 229.602, 0.00397374/step, 0.488328 hours remaining, 109.511719 MB of memory in use. ENERGY: 57600 640.9367 1973.7509 2030.8249 122.3544 -13.0601 -1040.4683 169.1558 0.0000 2695.9523 6579.4466 297.7754 3883.4943 6611.0105 304.6365 PRESSURE: 57700 0 0 0 0 0 0 0 0 0 GPRESSURE: 57700 0 0 0 0 0 0 0 0 0 PRESSAVG: 57700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57700 0 0 0 0 0 0 0 0 0 TIMING: 57700 CPU: 229.999, 0.0039679/step Wall: 229.999, 0.0039679/step, 0.487501 hours remaining, 109.511719 MB of memory in use. ENERGY: 57700 662.2936 1889.8752 2010.5832 114.4960 -13.7587 -1020.2211 146.0626 0.0000 2745.6729 6535.0036 303.2672 3789.3307 6569.3666 303.0136 PRESSURE: 57800 0 0 0 0 0 0 0 0 0 GPRESSURE: 57800 0 0 0 0 0 0 0 0 0 PRESSAVG: 57800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57800 0 0 0 0 0 0 0 0 0 TIMING: 57800 CPU: 230.396, 0.00397128/step Wall: 230.396, 0.00397128/step, 0.487806 hours remaining, 109.511719 MB of memory in use. ENERGY: 57800 658.0568 1929.5167 2031.2152 108.1538 -12.8641 -1035.3613 162.6928 0.0000 2707.9386 6549.3485 299.0994 3841.4099 6582.2879 303.0035 PRESSURE: 57900 0 0 0 0 0 0 0 0 0 GPRESSURE: 57900 0 0 0 0 0 0 0 0 0 PRESSAVG: 57900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57900 0 0 0 0 0 0 0 0 0 TIMING: 57900 CPU: 230.793, 0.00396889/step Wall: 230.793, 0.00396889/step, 0.487402 hours remaining, 109.511719 MB of memory in use. ENERGY: 57900 679.4569 1928.3664 2021.3728 108.2511 -12.6562 -1064.7868 160.2620 0.0000 2726.3585 6546.6246 301.1339 3820.2662 6577.4696 301.6755 PRESSURE: 58000 0 0 0 0 0 0 0 0 0 GPRESSURE: 58000 0 0 0 0 0 0 0 0 0 PRESSAVG: 58000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58000 0 0 0 0 0 0 0 0 0 TIMING: 58000 CPU: 231.189, 0.003969/step Wall: 231.189, 0.003969/step, 0.487305 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 58000 674.8247 1906.6198 2009.7925 95.1027 -14.3414 -998.1017 160.7781 0.0000 2693.0148 6527.6894 297.4510 3834.6746 6560.5515 302.3905 PRESSURE: 58100 0 0 0 0 0 0 0 0 0 GPRESSURE: 58100 0 0 0 0 0 0 0 0 0 PRESSAVG: 58100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58100 0 0 0 0 0 0 0 0 0 TIMING: 58100 CPU: 231.588, 0.00398941/step Wall: 231.588, 0.00398941/step, 0.4897 hours remaining, 109.511719 MB of memory in use. ENERGY: 58100 656.5296 1894.4041 2042.4252 108.4565 -13.2498 -1037.9027 161.1641 0.0000 2706.7590 6518.5860 298.9691 3811.8270 6550.6797 301.8668 PRESSURE: 58200 0 0 0 0 0 0 0 0 0 GPRESSURE: 58200 0 0 0 0 0 0 0 0 0 PRESSAVG: 58200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58200 0 0 0 0 0 0 0 0 0 TIMING: 58200 CPU: 231.985, 0.00397073/step Wall: 231.985, 0.00397073/step, 0.487297 hours remaining, 109.511719 MB of memory in use. ENERGY: 58200 685.4937 1851.3585 2032.3426 100.7116 -14.0780 -1058.0040 172.0197 0.0000 2747.9493 6517.7934 303.5187 3769.8441 6553.2051 301.8801 PRESSURE: 58300 0 0 0 0 0 0 0 0 0 GPRESSURE: 58300 0 0 0 0 0 0 0 0 0 PRESSAVG: 58300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58300 0 0 0 0 0 0 0 0 0 TIMING: 58300 CPU: 232.382, 0.00397001/step Wall: 232.382, 0.00397001/step, 0.487098 hours remaining, 109.511719 MB of memory in use. ENERGY: 58300 646.1903 1939.3430 2019.2517 102.8513 -12.4135 -1048.1488 178.0564 0.0000 2677.5056 6502.6359 295.7379 3825.1303 6534.5545 300.0054 PRESSURE: 58400 0 0 0 0 0 0 0 0 0 GPRESSURE: 58400 0 0 0 0 0 0 0 0 0 PRESSAVG: 58400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58400 0 0 0 0 0 0 0 0 0 TIMING: 58400 CPU: 232.78, 0.00397099/step Wall: 232.78, 0.00397099/step, 0.487108 hours remaining, 109.511719 MB of memory in use. ENERGY: 58400 640.8043 1903.0531 1997.1075 112.2795 -13.5386 -1039.2020 150.7353 0.0000 2747.7340 6498.9731 303.4949 3751.2391 6530.3911 301.1239 PRESSURE: 58500 0 0 0 0 0 0 0 0 0 GPRESSURE: 58500 0 0 0 0 0 0 0 0 0 PRESSAVG: 58500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58500 0 0 0 0 0 0 0 0 0 TIMING: 58500 CPU: 233.177, 0.00397258/step Wall: 233.177, 0.00397258/step, 0.487193 hours remaining, 109.511719 MB of memory in use. ENERGY: 58500 658.2341 1898.1658 2032.9368 112.4581 -12.6246 -1040.9079 170.7673 0.0000 2698.3493 6517.3789 298.0402 3819.0296 6550.8066 300.8583 PRESSURE: 58600 0 0 0 0 0 0 0 0 0 GPRESSURE: 58600 0 0 0 0 0 0 0 0 0 PRESSAVG: 58600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58600 0 0 0 0 0 0 0 0 0 TIMING: 58600 CPU: 233.575, 0.00397779/step Wall: 233.575, 0.00397779/step, 0.487721 hours remaining, 109.511719 MB of memory in use. ENERGY: 58600 657.8197 1882.8127 2019.2684 113.9526 -13.1299 -1052.8850 167.8024 0.0000 2740.8233 6516.4643 302.7316 3775.6409 6548.6387 299.9043 PRESSURE: 58700 0 0 0 0 0 0 0 0 0 GPRESSURE: 58700 0 0 0 0 0 0 0 0 0 PRESSAVG: 58700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58700 0 0 0 0 0 0 0 0 0 TIMING: 58700 CPU: 233.972, 0.0039701/step Wall: 233.972, 0.0039701/step, 0.486668 hours remaining, 109.511719 MB of memory in use. ENERGY: 58700 661.6860 1870.3972 2034.5244 102.3912 -13.5510 -1050.8000 169.1199 0.0000 2728.2862 6502.0540 301.3468 3773.7677 6534.0642 301.7125 PRESSURE: 58800 0 0 0 0 0 0 0 0 0 GPRESSURE: 58800 0 0 0 0 0 0 0 0 0 PRESSAVG: 58800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58800 0 0 0 0 0 0 0 0 0 TIMING: 58800 CPU: 234.369, 0.00397744/step Wall: 234.369, 0.00397744/step, 0.487458 hours remaining, 109.511719 MB of memory in use. ENERGY: 58800 626.0334 1872.9152 2010.4099 116.4758 -13.6464 -1035.9593 163.2957 0.0000 2716.9447 6456.4691 300.0941 3739.5243 6488.9045 299.2879 PRESSURE: 58900 0 0 0 0 0 0 0 0 0 GPRESSURE: 58900 0 0 0 0 0 0 0 0 0 PRESSAVG: 58900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58900 0 0 0 0 0 0 0 0 0 TIMING: 58900 CPU: 234.766, 0.00397097/step Wall: 234.766, 0.00397097/step, 0.486554 hours remaining, 109.511719 MB of memory in use. ENERGY: 58900 625.4471 1844.7355 2022.0285 109.0452 -13.4653 -1031.3414 161.4680 0.0000 2699.1936 6417.1113 298.1335 3717.9177 6451.8938 297.0346 PRESSURE: 59000 0 0 0 0 0 0 0 0 0 GPRESSURE: 59000 0 0 0 0 0 0 0 0 0 PRESSAVG: 59000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59000 0 0 0 0 0 0 0 0 0 TIMING: 59000 CPU: 235.164, 0.00397184/step Wall: 235.164, 0.00397184/step, 0.486551 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 59000 639.8750 1863.6972 2035.6759 94.2410 -13.4423 -1028.1083 156.0830 0.0000 2697.5430 6445.5646 297.9511 3748.0215 6479.1911 296.6471 PRESSURE: 59100 0 0 0 0 0 0 0 0 0 GPRESSURE: 59100 0 0 0 0 0 0 0 0 0 PRESSAVG: 59100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59100 0 0 0 0 0 0 0 0 0 TIMING: 59100 CPU: 235.562, 0.00397989/step Wall: 235.562, 0.00397989/step, 0.487426 hours remaining, 109.511719 MB of memory in use. ENERGY: 59100 645.6605 1882.3812 1996.9858 111.0286 -14.2953 -1047.6985 165.1015 0.0000 2686.2843 6425.4481 296.7076 3739.1638 6458.3474 297.4707 PRESSURE: 59200 0 0 0 0 0 0 0 0 0 GPRESSURE: 59200 0 0 0 0 0 0 0 0 0 PRESSAVG: 59200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59200 0 0 0 0 0 0 0 0 0 TIMING: 59200 CPU: 235.959, 0.00396919/step Wall: 235.959, 0.00396919/step, 0.486005 hours remaining, 109.511719 MB of memory in use. ENERGY: 59200 635.1957 1900.6233 1989.8318 91.5063 -14.3392 -1036.7233 152.3685 0.0000 2705.2015 6423.6647 298.7970 3718.4632 6458.1382 296.0902 PRESSURE: 59300 0 0 0 0 0 0 0 0 0 GPRESSURE: 59300 0 0 0 0 0 0 0 0 0 PRESSAVG: 59300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59300 0 0 0 0 0 0 0 0 0 TIMING: 59300 CPU: 236.356, 0.00397598/step Wall: 236.356, 0.00397598/step, 0.486726 hours remaining, 109.511719 MB of memory in use. ENERGY: 59300 639.8850 1908.9577 2028.7890 104.6751 -14.0241 -1060.4525 157.2832 0.0000 2665.3941 6430.5075 294.4002 3765.1134 6464.5185 296.9090 PRESSURE: 59400 0 0 0 0 0 0 0 0 0 GPRESSURE: 59400 0 0 0 0 0 0 0 0 0 PRESSAVG: 59400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59400 0 0 0 0 0 0 0 0 0 TIMING: 59400 CPU: 236.753, 0.00396931/step Wall: 236.753, 0.0039693/step, 0.485798 hours remaining, 109.511719 MB of memory in use. ENERGY: 59400 664.3054 1863.1848 2006.7194 96.5072 -13.4730 -1049.7157 153.6574 0.0000 2671.8254 6393.0109 295.1106 3721.1855 6427.9716 296.7912 PRESSURE: 59500 0 0 0 0 0 0 0 0 0 GPRESSURE: 59500 0 0 0 0 0 0 0 0 0 PRESSAVG: 59500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59500 0 0 0 0 0 0 0 0 0 TIMING: 59500 CPU: 237.15, 0.00396996/step Wall: 237.15, 0.00396997/step, 0.48577 hours remaining, 109.511719 MB of memory in use. ENERGY: 59500 645.8722 1878.6619 1983.7724 99.7844 -12.0033 -1059.6393 165.9834 0.0000 2698.0846 6400.5163 298.0110 3702.4317 6434.6367 295.8498 PRESSURE: 59600 0 0 0 0 0 0 0 0 0 GPRESSURE: 59600 0 0 0 0 0 0 0 0 0 PRESSAVG: 59600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59600 0 0 0 0 0 0 0 0 0 TIMING: 59600 CPU: 237.548, 0.00397973/step Wall: 237.548, 0.00397973/step, 0.486854 hours remaining, 109.511719 MB of memory in use. ENERGY: 59600 665.2728 1839.7697 2033.8403 99.5507 -12.8614 -1054.2603 169.1448 0.0000 2652.9141 6393.3708 293.0218 3740.4567 6425.0647 294.1563 PRESSURE: 59700 0 0 0 0 0 0 0 0 0 GPRESSURE: 59700 0 0 0 0 0 0 0 0 0 PRESSAVG: 59700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59700 0 0 0 0 0 0 0 0 0 TIMING: 59700 CPU: 237.945, 0.00397115/step Wall: 237.945, 0.00397115/step, 0.485694 hours remaining, 109.511719 MB of memory in use. ENERGY: 59700 653.7681 1868.9885 2003.3035 98.7642 -13.7555 -1030.1187 163.7986 0.0000 2684.0120 6428.7607 296.4566 3744.7487 6458.4816 295.5529 PRESSURE: 59800 0 0 0 0 0 0 0 0 0 GPRESSURE: 59800 0 0 0 0 0 0 0 0 0 PRESSAVG: 59800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59800 0 0 0 0 0 0 0 0 0 TIMING: 59800 CPU: 238.343, 0.00397748/step Wall: 238.343, 0.00397747/step, 0.486356 hours remaining, 109.511719 MB of memory in use. ENERGY: 59800 630.9238 1888.3955 1999.0543 110.8323 -13.1833 -1057.7653 157.9010 0.0000 2722.9049 6439.0632 300.7524 3716.1583 6472.4919 297.0605 PRESSURE: 59900 0 0 0 0 0 0 0 0 0 GPRESSURE: 59900 0 0 0 0 0 0 0 0 0 PRESSAVG: 59900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59900 0 0 0 0 0 0 0 0 0 TIMING: 59900 CPU: 238.74, 0.00397098/step Wall: 238.74, 0.00397099/step, 0.485454 hours remaining, 109.511719 MB of memory in use. ENERGY: 59900 620.3968 1886.0003 2011.2112 93.2375 -13.1578 -1041.1799 157.2234 0.0000 2707.0837 6420.8152 299.0049 3713.7315 6452.5880 296.6524 PRESSURE: 60000 0 0 0 0 0 0 0 0 0 GPRESSURE: 60000 0 0 0 0 0 0 0 0 0 PRESSAVG: 60000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60000 0 0 0 0 0 0 0 0 0 TIMING: 60000 CPU: 239.137, 0.00396931/step Wall: 239.137, 0.00396931/step, 0.485138 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 60000 687.9051 1865.7680 2008.4725 104.9346 -13.6150 -1059.3516 156.9135 0.0000 2668.7452 6419.7723 294.7703 3751.0271 6451.3637 297.2543 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 60000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 60000 WRITING COORDINATES TO RESTART FILE AT STEP 60000 FINISHED WRITING RESTART COORDINATES The last position output (seq=60000) takes 0.009 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 60000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 60100 0 0 0 0 0 0 0 0 0 GPRESSURE: 60100 0 0 0 0 0 0 0 0 0 PRESSAVG: 60100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60100 0 0 0 0 0 0 0 0 0 TIMING: 60100 CPU: 239.57, 0.00433398/step Wall: 239.57, 0.00433398/step, 0.529588 hours remaining, 109.511719 MB of memory in use. ENERGY: 60100 628.5285 1851.4360 1993.4801 110.0279 -13.2133 -1009.4039 170.4633 0.0000 2680.8791 6412.1977 296.1106 3731.3187 6445.5635 296.3293 PRESSURE: 60200 0 0 0 0 0 0 0 0 0 GPRESSURE: 60200 0 0 0 0 0 0 0 0 0 PRESSAVG: 60200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60200 0 0 0 0 0 0 0 0 0 TIMING: 60200 CPU: 239.967, 0.00397136/step Wall: 239.967, 0.00397136/step, 0.485168 hours remaining, 109.511719 MB of memory in use. ENERGY: 60200 653.9709 1908.8294 2010.8329 101.9330 -12.7442 -1089.7598 178.0392 0.0000 2657.0525 6408.1537 293.4789 3751.1012 6438.6654 296.2163 LDB: ============= START OF LOAD BALANCING ============== 242.743 LDB: ============== END OF LOAD BALANCING =============== 242.743 LDB: =============== DONE WITH MIGRATION ================ 242.743 PRESSURE: 60300 0 0 0 0 0 0 0 0 0 GPRESSURE: 60300 0 0 0 0 0 0 0 0 0 PRESSAVG: 60300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60300 0 0 0 0 0 0 0 0 0 TIMING: 60300 CPU: 240.365, 0.00398003/step Wall: 240.365, 0.00398003/step, 0.486117 hours remaining, 109.511719 MB of memory in use. ENERGY: 60300 653.9292 1902.0586 1991.2856 105.8447 -13.8682 -1048.2654 177.1165 0.0000 2685.9895 6454.0906 296.6750 3768.1011 6485.5690 296.0458 LDB: ============= START OF LOAD BALANCING ============== 243.141 LDB: ============== END OF LOAD BALANCING =============== 243.141 LDB: =============== DONE WITH MIGRATION ================ 243.141 PRESSURE: 60400 0 0 0 0 0 0 0 0 0 GPRESSURE: 60400 0 0 0 0 0 0 0 0 0 PRESSAVG: 60400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60400 0 0 0 0 0 0 0 0 0 TIMING: 60400 CPU: 240.763, 0.00397894/step Wall: 240.763, 0.00397894/step, 0.485873 hours remaining, 109.511719 MB of memory in use. ENERGY: 60400 667.5625 1850.6785 2017.0370 102.7207 -15.2498 -1025.6351 153.6724 0.0000 2672.9188 6423.7051 295.2313 3750.7862 6458.1153 298.2282 PRESSURE: 60500 0 0 0 0 0 0 0 0 0 GPRESSURE: 60500 0 0 0 0 0 0 0 0 0 PRESSAVG: 60500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60500 0 0 0 0 0 0 0 0 0 TIMING: 60500 CPU: 241.16, 0.00397066/step Wall: 241.16, 0.00397066/step, 0.484752 hours remaining, 109.511719 MB of memory in use. ENERGY: 60500 638.6852 1916.7218 2003.3382 109.4951 -13.6414 -1064.0748 170.7822 0.0000 2703.3832 6464.6895 298.5962 3761.3063 6495.5634 298.1175 PRESSURE: 60600 0 0 0 0 0 0 0 0 0 GPRESSURE: 60600 0 0 0 0 0 0 0 0 0 PRESSAVG: 60600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60600 0 0 0 0 0 0 0 0 0 TIMING: 60600 CPU: 241.558, 0.00397754/step Wall: 241.558, 0.00397754/step, 0.485481 hours remaining, 109.511719 MB of memory in use. ENERGY: 60600 682.0280 1891.0342 2010.5012 97.2157 -14.9386 -1052.8405 163.2497 0.0000 2707.7235 6483.9731 299.0756 3776.2497 6517.4407 298.7285 PRESSURE: 60700 0 0 0 0 0 0 0 0 0 GPRESSURE: 60700 0 0 0 0 0 0 0 0 0 PRESSAVG: 60700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60700 0 0 0 0 0 0 0 0 0 TIMING: 60700 CPU: 241.955, 0.00396906/step Wall: 241.955, 0.00396906/step, 0.484335 hours remaining, 109.511719 MB of memory in use. ENERGY: 60700 657.6981 1895.8971 1999.6107 109.9458 -13.3297 -1063.9123 169.6027 0.0000 2738.4903 6494.0027 302.4739 3755.5124 6531.1631 299.6215 PRESSURE: 60800 0 0 0 0 0 0 0 0 0 GPRESSURE: 60800 0 0 0 0 0 0 0 0 0 PRESSAVG: 60800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60800 0 0 0 0 0 0 0 0 0 TIMING: 60800 CPU: 242.353, 0.00397961/step Wall: 242.353, 0.00397961/step, 0.485513 hours remaining, 109.511719 MB of memory in use. ENERGY: 60800 682.4590 1911.6784 2039.8843 98.1387 -15.1378 -1068.8109 143.9902 0.0000 2675.3169 6467.5188 295.4962 3792.2019 6497.7076 299.8694 PRESSURE: 60900 0 0 0 0 0 0 0 0 0 GPRESSURE: 60900 0 0 0 0 0 0 0 0 0 PRESSAVG: 60900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 60900 0 0 0 0 0 0 0 0 0 TIMING: 60900 CPU: 242.75, 0.00396906/step Wall: 242.75, 0.00396906/step, 0.484115 hours remaining, 109.511719 MB of memory in use. ENERGY: 60900 674.4152 1865.1625 2005.1796 100.2551 -13.4192 -1046.6413 151.6651 0.0000 2720.1677 6456.7848 300.4501 3736.6170 6489.7984 298.6113 PRESSURE: 61000 0 0 0 0 0 0 0 0 0 GPRESSURE: 61000 0 0 0 0 0 0 0 0 0 PRESSAVG: 61000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61000 0 0 0 0 0 0 0 0 0 TIMING: 61000 CPU: 243.147, 0.00397081/step Wall: 243.147, 0.00397081/step, 0.484218 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 61000 643.6985 1897.1804 2006.4370 105.0995 -13.3300 -1030.6352 151.2703 0.0000 2730.4438 6490.1643 301.5851 3759.7205 6522.7855 299.0510 PRESSURE: 61100 0 0 0 0 0 0 0 0 0 GPRESSURE: 61100 0 0 0 0 0 0 0 0 0 PRESSAVG: 61100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61100 0 0 0 0 0 0 0 0 0 TIMING: 61100 CPU: 243.545, 0.00397918/step Wall: 243.545, 0.00397918/step, 0.485128 hours remaining, 109.511719 MB of memory in use. ENERGY: 61100 663.0559 1901.3962 2016.9947 98.0805 -13.3853 -1047.2783 161.5847 0.0000 2710.2093 6490.6577 299.3502 3780.4484 6522.0165 300.3027 PRESSURE: 61200 0 0 0 0 0 0 0 0 0 GPRESSURE: 61200 0 0 0 0 0 0 0 0 0 PRESSAVG: 61200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61200 0 0 0 0 0 0 0 0 0 TIMING: 61200 CPU: 243.942, 0.00397043/step Wall: 243.942, 0.00397043/step, 0.483951 hours remaining, 109.511719 MB of memory in use. ENERGY: 61200 627.0204 1870.8955 2004.3592 104.8070 -12.6750 -1055.1903 162.4108 0.0000 2835.3696 6536.9971 313.1745 3701.6275 6572.5502 303.1272 PRESSURE: 61300 0 0 0 0 0 0 0 0 0 GPRESSURE: 61300 0 0 0 0 0 0 0 0 0 PRESSAVG: 61300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61300 0 0 0 0 0 0 0 0 0 TIMING: 61300 CPU: 244.34, 0.00397921/step Wall: 244.34, 0.00397921/step, 0.484911 hours remaining, 109.511719 MB of memory in use. ENERGY: 61300 622.6854 1877.6463 2024.2692 105.1347 -12.8668 -1041.7200 183.6409 0.0000 2763.8770 6522.6668 305.2779 3758.7898 6558.0114 302.9495 PRESSURE: 61400 0 0 0 0 0 0 0 0 0 GPRESSURE: 61400 0 0 0 0 0 0 0 0 0 PRESSAVG: 61400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61400 0 0 0 0 0 0 0 0 0 TIMING: 61400 CPU: 244.737, 0.00397051/step Wall: 244.737, 0.00397051/step, 0.483741 hours remaining, 109.511719 MB of memory in use. ENERGY: 61400 665.2696 1915.9715 2037.1030 102.7299 -14.4764 -1037.7298 156.9415 0.0000 2654.0672 6479.8765 293.1491 3825.8094 6510.1335 300.0291 PRESSURE: 61500 0 0 0 0 0 0 0 0 0 GPRESSURE: 61500 0 0 0 0 0 0 0 0 0 PRESSAVG: 61500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61500 0 0 0 0 0 0 0 0 0 TIMING: 61500 CPU: 245.134, 0.00397023/step Wall: 245.134, 0.00397023/step, 0.483596 hours remaining, 109.511719 MB of memory in use. ENERGY: 61500 666.2740 1923.7978 1995.2130 105.2452 -13.6803 -1061.3012 152.2540 0.0000 2766.4314 6534.2338 305.5601 3767.8024 6564.1598 300.2019 PRESSURE: 61600 0 0 0 0 0 0 0 0 0 GPRESSURE: 61600 0 0 0 0 0 0 0 0 0 PRESSAVG: 61600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61600 0 0 0 0 0 0 0 0 0 TIMING: 61600 CPU: 245.532, 0.00398439/step Wall: 245.532, 0.00398439/step, 0.48521 hours remaining, 109.511719 MB of memory in use. ENERGY: 61600 620.8952 1918.8745 2019.7721 115.1824 -14.1188 -1038.1647 173.6011 0.0000 2727.8865 6523.9283 301.3027 3796.0418 6559.5903 301.6773 PRESSURE: 61700 0 0 0 0 0 0 0 0 0 GPRESSURE: 61700 0 0 0 0 0 0 0 0 0 PRESSAVG: 61700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61700 0 0 0 0 0 0 0 0 0 TIMING: 61700 CPU: 245.93, 0.00397117/step Wall: 245.93, 0.00397117/step, 0.48349 hours remaining, 109.511719 MB of memory in use. ENERGY: 61700 636.0573 1928.5895 2003.7785 102.1652 -14.1668 -1024.9923 160.7983 0.0000 2736.3076 6528.5372 302.2328 3792.2296 6560.9338 301.5788 PRESSURE: 61800 0 0 0 0 0 0 0 0 0 GPRESSURE: 61800 0 0 0 0 0 0 0 0 0 PRESSAVG: 61800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61800 0 0 0 0 0 0 0 0 0 TIMING: 61800 CPU: 246.327, 0.00397893/step Wall: 246.327, 0.00397893/step, 0.484324 hours remaining, 109.511719 MB of memory in use. ENERGY: 61800 655.2691 1902.4027 2022.2647 105.7107 -14.2959 -1035.1219 147.6935 0.0000 2738.9942 6522.9170 302.5295 3783.9228 6554.6767 301.7969 PRESSURE: 61900 0 0 0 0 0 0 0 0 0 GPRESSURE: 61900 0 0 0 0 0 0 0 0 0 PRESSAVG: 61900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 61900 0 0 0 0 0 0 0 0 0 TIMING: 61900 CPU: 246.725, 0.00397156/step Wall: 246.725, 0.00397156/step, 0.483317 hours remaining, 109.511719 MB of memory in use. ENERGY: 61900 651.5496 1897.6415 2021.2098 93.5466 -14.3525 -1064.2177 165.4253 0.0000 2756.8008 6507.6034 304.4963 3750.8026 6541.9720 301.5749 PRESSURE: 62000 0 0 0 0 0 0 0 0 0 GPRESSURE: 62000 0 0 0 0 0 0 0 0 0 PRESSAVG: 62000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62000 0 0 0 0 0 0 0 0 0 TIMING: 62000 CPU: 247.122, 0.00397218/step Wall: 247.122, 0.00397218/step, 0.483282 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 62000 635.8258 1914.3082 2019.8823 111.8257 -13.8849 -1060.4746 178.9001 0.0000 2727.2677 6513.6502 301.2343 3786.3825 6548.3769 301.1497 PRESSURE: 62100 0 0 0 0 0 0 0 0 0 GPRESSURE: 62100 0 0 0 0 0 0 0 0 0 PRESSAVG: 62100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62100 0 0 0 0 0 0 0 0 0 TIMING: 62100 CPU: 247.52, 0.00398217/step Wall: 247.52, 0.00398217/step, 0.484387 hours remaining, 109.511719 MB of memory in use. ENERGY: 62100 673.0671 1934.3649 2009.9637 102.3853 -13.4303 -1040.8094 154.8108 0.0000 2720.6098 6540.9618 300.4989 3820.3520 6572.6934 301.3917 PRESSURE: 62200 0 0 0 0 0 0 0 0 0 GPRESSURE: 62200 0 0 0 0 0 0 0 0 0 PRESSAVG: 62200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62200 0 0 0 0 0 0 0 0 0 TIMING: 62200 CPU: 247.917, 0.00397094/step Wall: 247.917, 0.00397094/step, 0.48291 hours remaining, 109.511719 MB of memory in use. ENERGY: 62200 665.8259 1890.8005 2037.7558 101.6630 -14.3740 -1067.4820 169.0628 0.0000 2777.5740 6560.8261 306.7908 3783.2520 6597.4636 302.7724 PRESSURE: 62300 0 0 0 0 0 0 0 0 0 GPRESSURE: 62300 0 0 0 0 0 0 0 0 0 PRESSAVG: 62300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62300 0 0 0 0 0 0 0 0 0 TIMING: 62300 CPU: 248.316, 0.00398578/step Wall: 248.316, 0.00398578/step, 0.484605 hours remaining, 109.511719 MB of memory in use. ENERGY: 62300 642.9058 1919.6446 2012.8127 99.6449 -13.1893 -1049.4043 171.7546 0.0000 2761.1276 6545.2966 304.9742 3784.1691 6580.5302 303.9393 PRESSURE: 62400 0 0 0 0 0 0 0 0 0 GPRESSURE: 62400 0 0 0 0 0 0 0 0 0 PRESSAVG: 62400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62400 0 0 0 0 0 0 0 0 0 TIMING: 62400 CPU: 248.713, 0.0039704/step Wall: 248.713, 0.0039704/step, 0.482624 hours remaining, 109.511719 MB of memory in use. ENERGY: 62400 672.7488 1908.6964 2023.3787 113.3652 -14.0916 -1073.9054 180.4114 0.0000 2719.0650 6529.6684 300.3283 3810.6035 6564.1019 303.0491 PRESSURE: 62500 0 0 0 0 0 0 0 0 0 GPRESSURE: 62500 0 0 0 0 0 0 0 0 0 PRESSAVG: 62500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62500 0 0 0 0 0 0 0 0 0 TIMING: 62500 CPU: 249.11, 0.0039708/step Wall: 249.11, 0.0039708/step, 0.482562 hours remaining, 109.511719 MB of memory in use. ENERGY: 62500 696.5447 1892.9969 1994.3944 110.9884 -14.5051 -1048.6715 153.6945 0.0000 2719.3337 6504.7760 300.3580 3785.4423 6540.2255 301.4766 PRESSURE: 62600 0 0 0 0 0 0 0 0 0 GPRESSURE: 62600 0 0 0 0 0 0 0 0 0 PRESSAVG: 62600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62600 0 0 0 0 0 0 0 0 0 TIMING: 62600 CPU: 249.508, 0.00398437/step Wall: 249.508, 0.00398437/step, 0.484101 hours remaining, 109.511719 MB of memory in use. ENERGY: 62600 692.3652 1797.3058 2027.2103 109.0402 -13.3646 -1069.7754 173.1961 0.0000 2749.7950 6465.7725 303.7225 3715.9775 6501.2740 299.1360 PRESSURE: 62700 0 0 0 0 0 0 0 0 0 GPRESSURE: 62700 0 0 0 0 0 0 0 0 0 PRESSAVG: 62700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62700 0 0 0 0 0 0 0 0 0 TIMING: 62700 CPU: 249.905, 0.00397197/step Wall: 249.905, 0.00397197/step, 0.482484 hours remaining, 109.511719 MB of memory in use. ENERGY: 62700 656.3620 1918.6320 2003.8237 98.0803 -15.5024 -1055.6805 150.1655 0.0000 2716.1781 6472.0587 300.0094 3755.8806 6505.6563 298.4154 PRESSURE: 62800 0 0 0 0 0 0 0 0 0 GPRESSURE: 62800 0 0 0 0 0 0 0 0 0 PRESSAVG: 62800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62800 0 0 0 0 0 0 0 0 0 TIMING: 62800 CPU: 250.303, 0.00397931/step Wall: 250.303, 0.00397931/step, 0.483265 hours remaining, 109.511719 MB of memory in use. ENERGY: 62800 681.3399 1923.1828 2018.8565 96.7878 -14.2020 -1077.4535 165.6569 0.0000 2701.2722 6495.4406 298.3630 3794.1684 6525.6942 300.3613 PRESSURE: 62900 0 0 0 0 0 0 0 0 0 GPRESSURE: 62900 0 0 0 0 0 0 0 0 0 PRESSAVG: 62900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 62900 0 0 0 0 0 0 0 0 0 TIMING: 62900 CPU: 250.702, 0.00399112/step Wall: 250.702, 0.00399112/step, 0.484588 hours remaining, 109.511719 MB of memory in use. ENERGY: 62900 668.7070 1921.0947 2010.7607 106.0167 -12.3885 -1040.6323 156.3228 0.0000 2661.8430 6471.7240 294.0080 3809.8811 6501.9977 300.3012 PRESSURE: 63000 0 0 0 0 0 0 0 0 0 GPRESSURE: 63000 0 0 0 0 0 0 0 0 0 PRESSAVG: 63000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63000 0 0 0 0 0 0 0 0 0 TIMING: 63000 CPU: 251.1, 0.00397394/step Wall: 251.1, 0.00397394/step, 0.482392 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 63000 642.9638 1896.1928 2038.1283 107.2096 -12.7116 -1064.6702 170.8638 0.0000 2684.2938 6462.2703 296.4877 3777.9765 6496.4107 297.8068 PRESSURE: 63100 0 0 0 0 0 0 0 0 0 GPRESSURE: 63100 0 0 0 0 0 0 0 0 0 PRESSAVG: 63100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63100 0 0 0 0 0 0 0 0 0 TIMING: 63100 CPU: 251.498, 0.0039862/step Wall: 251.498, 0.00398619/step, 0.483768 hours remaining, 109.511719 MB of memory in use. ENERGY: 63100 698.5071 1947.7631 2018.2063 116.9953 -12.9655 -1069.2397 160.7251 0.0000 2603.7540 6463.7457 287.5919 3859.9917 6493.3291 299.6860 PRESSURE: 63200 0 0 0 0 0 0 0 0 0 GPRESSURE: 63200 0 0 0 0 0 0 0 0 0 PRESSAVG: 63200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63200 0 0 0 0 0 0 0 0 0 TIMING: 63200 CPU: 251.896, 0.00397373/step Wall: 251.896, 0.00397374/step, 0.482147 hours remaining, 109.511719 MB of memory in use. ENERGY: 63200 656.1278 1912.1450 1997.9123 102.9908 -14.1086 -1052.5312 163.4462 0.0000 2691.6638 6457.6460 297.3018 3765.9822 6488.7210 297.8519 PRESSURE: 63300 0 0 0 0 0 0 0 0 0 GPRESSURE: 63300 0 0 0 0 0 0 0 0 0 PRESSAVG: 63300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63300 0 0 0 0 0 0 0 0 0 TIMING: 63300 CPU: 252.294, 0.00398493/step Wall: 252.294, 0.00398492/step, 0.483393 hours remaining, 109.511719 MB of memory in use. ENERGY: 63300 653.5255 1938.0548 2003.8943 107.3352 -14.4041 -1054.0406 145.6044 0.0000 2650.8437 6430.8133 292.7931 3779.9696 6458.8368 297.7856 PRESSURE: 63400 0 0 0 0 0 0 0 0 0 GPRESSURE: 63400 0 0 0 0 0 0 0 0 0 PRESSAVG: 63400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63400 0 0 0 0 0 0 0 0 0 TIMING: 63400 CPU: 252.691, 0.00397057/step Wall: 252.691, 0.00397058/step, 0.481543 hours remaining, 109.511719 MB of memory in use. ENERGY: 63400 669.1811 1882.1099 2030.3583 105.0914 -13.5956 -1055.9650 160.3379 0.0000 2659.5935 6437.1115 293.7595 3777.5180 6468.7588 295.8211 PRESSURE: 63500 0 0 0 0 0 0 0 0 0 GPRESSURE: 63500 0 0 0 0 0 0 0 0 0 PRESSAVG: 63500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63500 0 0 0 0 0 0 0 0 0 TIMING: 63500 CPU: 253.088, 0.00397066/step Wall: 253.088, 0.00397066/step, 0.481443 hours remaining, 109.511719 MB of memory in use. ENERGY: 63500 646.0857 1914.0274 2020.2903 92.3206 -12.9313 -1048.3343 166.3311 0.0000 2643.0553 6420.8446 291.9328 3777.7893 6453.1690 296.1940 PRESSURE: 63600 0 0 0 0 0 0 0 0 0 GPRESSURE: 63600 0 0 0 0 0 0 0 0 0 PRESSAVG: 63600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63600 0 0 0 0 0 0 0 0 0 TIMING: 63600 CPU: 253.487, 0.00398402/step Wall: 253.487, 0.00398402/step, 0.482952 hours remaining, 109.511719 MB of memory in use. ENERGY: 63600 624.5154 1882.6624 2021.7330 110.3806 -14.2030 -1039.3333 160.6715 0.0000 2684.7207 6431.1473 296.5349 3746.4266 6465.0673 295.9871 PRESSURE: 63700 0 0 0 0 0 0 0 0 0 GPRESSURE: 63700 0 0 0 0 0 0 0 0 0 PRESSAVG: 63700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63700 0 0 0 0 0 0 0 0 0 TIMING: 63700 CPU: 253.884, 0.00396937/step Wall: 253.884, 0.00396937/step, 0.481065 hours remaining, 109.511719 MB of memory in use. ENERGY: 63700 622.6297 1871.6105 2020.7257 107.2263 -14.2764 -1050.6002 165.3655 0.0000 2751.4279 6474.1089 303.9029 3722.6810 6510.9538 298.6126 PRESSURE: 63800 0 0 0 0 0 0 0 0 0 GPRESSURE: 63800 0 0 0 0 0 0 0 0 0 PRESSAVG: 63800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63800 0 0 0 0 0 0 0 0 0 TIMING: 63800 CPU: 254.281, 0.00397352/step Wall: 254.281, 0.00397352/step, 0.481458 hours remaining, 109.511719 MB of memory in use. ENERGY: 63800 662.2928 1872.8182 2019.9354 100.5347 -13.7596 -1054.1035 165.9726 0.0000 2719.1636 6472.8541 300.3392 3753.6905 6506.3221 298.9283 PRESSURE: 63900 0 0 0 0 0 0 0 0 0 GPRESSURE: 63900 0 0 0 0 0 0 0 0 0 PRESSAVG: 63900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 63900 0 0 0 0 0 0 0 0 0 TIMING: 63900 CPU: 254.679, 0.00397857/step Wall: 254.679, 0.00397857/step, 0.48196 hours remaining, 109.511719 MB of memory in use. ENERGY: 63900 699.3988 1871.3798 2022.7987 105.6124 -13.2615 -1045.8130 158.2485 0.0000 2691.4872 6489.8509 297.2823 3798.3637 6525.7467 299.0924 PRESSURE: 64000 0 0 0 0 0 0 0 0 0 GPRESSURE: 64000 0 0 0 0 0 0 0 0 0 PRESSAVG: 64000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64000 0 0 0 0 0 0 0 0 0 TIMING: 64000 CPU: 255.076, 0.00397029/step Wall: 255.076, 0.00397029/step, 0.480846 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 64000 663.8927 1879.7386 1996.6070 108.7014 -13.8710 -1044.8504 176.9671 0.0000 2743.7667 6510.9522 303.0567 3767.1855 6545.2570 300.2892 PRESSURE: 64100 0 0 0 0 0 0 0 0 0 GPRESSURE: 64100 0 0 0 0 0 0 0 0 0 PRESSAVG: 64100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64100 0 0 0 0 0 0 0 0 0 TIMING: 64100 CPU: 255.474, 0.00398399/step Wall: 255.474, 0.00398399/step, 0.482395 hours remaining, 109.511719 MB of memory in use. ENERGY: 64100 652.9527 1870.9159 2012.8968 113.9262 -13.1276 -1034.5815 168.0135 0.0000 2758.3349 6529.3309 304.6658 3770.9960 6563.0446 302.3839 PRESSURE: 64200 0 0 0 0 0 0 0 0 0 GPRESSURE: 64200 0 0 0 0 0 0 0 0 0 PRESSAVG: 64200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64200 0 0 0 0 0 0 0 0 0 TIMING: 64200 CPU: 255.871, 0.0039693/step Wall: 255.871, 0.0039693/step, 0.480506 hours remaining, 109.511719 MB of memory in use. ENERGY: 64200 694.9340 1910.6768 2007.4961 112.6726 -14.2347 -1046.7684 154.1415 0.0000 2738.1641 6557.0819 302.4379 3818.9178 6587.3343 303.0612 LDB: ============= START OF LOAD BALANCING ============== 258.646 LDB: ============== END OF LOAD BALANCING =============== 258.646 LDB: =============== DONE WITH MIGRATION ================ 258.646 PRESSURE: 64300 0 0 0 0 0 0 0 0 0 GPRESSURE: 64300 0 0 0 0 0 0 0 0 0 PRESSAVG: 64300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64300 0 0 0 0 0 0 0 0 0 TIMING: 64300 CPU: 256.269, 0.00397279/step Wall: 256.269, 0.00397279/step, 0.480818 hours remaining, 109.511719 MB of memory in use. ENERGY: 64300 662.9242 1887.1797 1991.9815 93.6803 -14.5317 -1050.2918 163.7171 0.0000 2850.8250 6585.4843 314.8816 3734.6593 6622.4177 303.3882 LDB: ============= START OF LOAD BALANCING ============== 259.045 LDB: ============== END OF LOAD BALANCING =============== 259.045 LDB: =============== DONE WITH MIGRATION ================ 259.045 PRESSURE: 64400 0 0 0 0 0 0 0 0 0 GPRESSURE: 64400 0 0 0 0 0 0 0 0 0 PRESSAVG: 64400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64400 0 0 0 0 0 0 0 0 0 TIMING: 64400 CPU: 256.667, 0.00398829/step Wall: 256.667, 0.00398829/step, 0.482583 hours remaining, 109.511719 MB of memory in use. ENERGY: 64400 677.3934 1933.5494 2035.5478 106.9899 -14.0667 -1048.9080 166.2457 0.0000 2727.1670 6583.9185 301.2232 3856.7515 6619.0505 305.2366 PRESSURE: 64500 0 0 0 0 0 0 0 0 0 GPRESSURE: 64500 0 0 0 0 0 0 0 0 0 PRESSAVG: 64500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64500 0 0 0 0 0 0 0 0 0 TIMING: 64500 CPU: 257.064, 0.00396923/step Wall: 257.064, 0.00396923/step, 0.480167 hours remaining, 109.511719 MB of memory in use. ENERGY: 64500 678.2826 1942.2400 2001.3240 108.9176 -13.9554 -1050.4736 184.1269 0.0000 2725.2957 6575.7579 301.0165 3850.4621 6605.3577 303.3936 PRESSURE: 64600 0 0 0 0 0 0 0 0 0 GPRESSURE: 64600 0 0 0 0 0 0 0 0 0 PRESSAVG: 64600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64600 0 0 0 0 0 0 0 0 0 TIMING: 64600 CPU: 257.463, 0.0039822/step Wall: 257.463, 0.0039822/step, 0.481625 hours remaining, 109.511719 MB of memory in use. ENERGY: 64600 638.7331 1928.0505 2027.3212 109.8225 -13.5574 -1015.0351 155.1325 0.0000 2724.9784 6555.4458 300.9815 3830.4673 6587.0643 304.4820 PRESSURE: 64700 0 0 0 0 0 0 0 0 0 GPRESSURE: 64700 0 0 0 0 0 0 0 0 0 PRESSAVG: 64700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64700 0 0 0 0 0 0 0 0 0 TIMING: 64700 CPU: 257.86, 0.0039695/step Wall: 257.86, 0.0039695/step, 0.479979 hours remaining, 109.511719 MB of memory in use. ENERGY: 64700 661.4141 1903.1125 2018.4537 109.2702 -13.3402 -1058.3149 167.0452 0.0000 2775.8727 6563.5133 306.6029 3787.6406 6598.6086 303.4917 PRESSURE: 64800 0 0 0 0 0 0 0 0 0 GPRESSURE: 64800 0 0 0 0 0 0 0 0 0 PRESSAVG: 64800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64800 0 0 0 0 0 0 0 0 0 TIMING: 64800 CPU: 258.257, 0.00397073/step Wall: 258.257, 0.00397073/step, 0.480017 hours remaining, 109.511719 MB of memory in use. ENERGY: 64800 672.5007 1916.3900 2035.1226 108.7072 -13.4383 -1041.5125 156.2371 0.0000 2770.5583 6604.5651 306.0159 3834.0068 6639.3801 305.7024 PRESSURE: 64900 0 0 0 0 0 0 0 0 0 GPRESSURE: 64900 0 0 0 0 0 0 0 0 0 PRESSAVG: 64900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 64900 0 0 0 0 0 0 0 0 0 TIMING: 64900 CPU: 258.655, 0.00397966/step Wall: 258.655, 0.00397965/step, 0.480985 hours remaining, 109.511719 MB of memory in use. ENERGY: 64900 649.7982 1949.8488 2033.8183 118.7082 -14.1447 -1048.8712 178.1438 0.0000 2729.7106 6597.0120 301.5041 3867.3014 6630.7045 305.1840 PRESSURE: 65000 0 0 0 0 0 0 0 0 0 GPRESSURE: 65000 0 0 0 0 0 0 0 0 0 PRESSAVG: 65000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65000 0 0 0 0 0 0 0 0 0 TIMING: 65000 CPU: 259.052, 0.00397178/step Wall: 259.052, 0.00397179/step, 0.479924 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 65000 648.1087 1918.7542 2001.3892 105.1649 -14.0577 -1036.4264 165.4114 0.0000 2784.8919 6573.2362 307.5991 3788.3443 6605.3333 305.4522 PRESSURE: 65100 0 0 0 0 0 0 0 0 0 GPRESSURE: 65100 0 0 0 0 0 0 0 0 0 PRESSAVG: 65100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65100 0 0 0 0 0 0 0 0 0 TIMING: 65100 CPU: 259.45, 0.00398153/step Wall: 259.45, 0.00398153/step, 0.480991 hours remaining, 109.511719 MB of memory in use. ENERGY: 65100 634.8587 1876.1408 2006.0834 112.1534 -14.4129 -1031.5137 150.3623 0.0000 2805.9811 6539.6531 309.9284 3733.6720 6576.0623 304.9508 PRESSURE: 65200 0 0 0 0 0 0 0 0 0 GPRESSURE: 65200 0 0 0 0 0 0 0 0 0 PRESSAVG: 65200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65200 0 0 0 0 0 0 0 0 0 TIMING: 65200 CPU: 259.847, 0.00397014/step Wall: 259.847, 0.00397014/step, 0.479505 hours remaining, 109.511719 MB of memory in use. ENERGY: 65200 715.3143 1949.5703 2028.3802 103.3464 -14.9564 -1067.6361 157.5089 0.0000 2660.1506 6531.6782 293.8210 3871.5276 6563.1954 302.6942 PRESSURE: 65300 0 0 0 0 0 0 0 0 0 GPRESSURE: 65300 0 0 0 0 0 0 0 0 0 PRESSAVG: 65300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65300 0 0 0 0 0 0 0 0 0 TIMING: 65300 CPU: 260.244, 0.00397117/step Wall: 260.244, 0.00397116/step, 0.479518 hours remaining, 109.511719 MB of memory in use. ENERGY: 65300 654.2010 1913.8045 2015.6755 101.6365 -14.4688 -1009.7496 166.1658 0.0000 2743.3019 6570.5668 303.0053 3827.2649 6600.6405 302.4294 PRESSURE: 65400 0 0 0 0 0 0 0 0 0 GPRESSURE: 65400 0 0 0 0 0 0 0 0 0 PRESSAVG: 65400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65400 0 0 0 0 0 0 0 0 0 TIMING: 65400 CPU: 260.642, 0.00398241/step Wall: 260.642, 0.00398242/step, 0.480767 hours remaining, 109.511719 MB of memory in use. ENERGY: 65400 676.1861 1889.7283 2020.7261 111.9195 -14.3852 -1050.5349 166.5940 0.0000 2773.1239 6573.3579 306.2993 3800.2340 6607.3075 304.5049 PRESSURE: 65500 0 0 0 0 0 0 0 0 0 GPRESSURE: 65500 0 0 0 0 0 0 0 0 0 PRESSAVG: 65500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65500 0 0 0 0 0 0 0 0 0 TIMING: 65500 CPU: 261.039, 0.0039706/step Wall: 261.039, 0.0039706/step, 0.479229 hours remaining, 109.511719 MB of memory in use. ENERGY: 65500 636.0019 1920.9225 2004.9082 121.0269 -12.8496 -1013.3097 172.2446 0.0000 2714.7561 6543.7009 299.8524 3828.9448 6577.2226 304.6885 PRESSURE: 65600 0 0 0 0 0 0 0 0 0 GPRESSURE: 65600 0 0 0 0 0 0 0 0 0 PRESSAVG: 65600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65600 0 0 0 0 0 0 0 0 0 TIMING: 65600 CPU: 261.438, 0.00398299/step Wall: 261.438, 0.00398299/step, 0.480614 hours remaining, 109.511719 MB of memory in use. ENERGY: 65600 668.1634 1895.0221 2011.6249 101.9670 -13.6193 -1028.3860 165.0814 0.0000 2727.1195 6526.9731 301.2179 3799.8536 6559.7604 302.9988 PRESSURE: 65700 0 0 0 0 0 0 0 0 0 GPRESSURE: 65700 0 0 0 0 0 0 0 0 0 PRESSAVG: 65700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65700 0 0 0 0 0 0 0 0 0 TIMING: 65700 CPU: 261.835, 0.00396957/step Wall: 261.835, 0.00396957/step, 0.478885 hours remaining, 109.511719 MB of memory in use. ENERGY: 65700 642.5591 1889.9730 2027.6940 112.7544 -13.8391 -1024.4928 157.3963 0.0000 2731.0996 6523.1446 301.6576 3792.0451 6558.7362 301.9489 PRESSURE: 65800 0 0 0 0 0 0 0 0 0 GPRESSURE: 65800 0 0 0 0 0 0 0 0 0 PRESSAVG: 65800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65800 0 0 0 0 0 0 0 0 0 TIMING: 65800 CPU: 262.232, 0.00397091/step Wall: 262.232, 0.00397091/step, 0.478936 hours remaining, 109.511719 MB of memory in use. ENERGY: 65800 681.7409 1931.2347 2016.1157 106.2075 -14.4094 -1053.8957 173.4826 0.0000 2729.1123 6569.5885 301.4381 3840.4762 6602.0224 303.1925 PRESSURE: 65900 0 0 0 0 0 0 0 0 0 GPRESSURE: 65900 0 0 0 0 0 0 0 0 0 PRESSAVG: 65900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 65900 0 0 0 0 0 0 0 0 0 TIMING: 65900 CPU: 262.63, 0.00398146/step Wall: 262.63, 0.00398146/step, 0.480098 hours remaining, 109.511719 MB of memory in use. ENERGY: 65900 663.1236 1921.3689 2011.7862 112.8400 -14.6997 -1044.7006 165.8563 0.0000 2769.8348 6585.4094 305.9360 3815.5747 6617.7069 305.2091 PRESSURE: 66000 0 0 0 0 0 0 0 0 0 GPRESSURE: 66000 0 0 0 0 0 0 0 0 0 PRESSAVG: 66000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66000 0 0 0 0 0 0 0 0 0 TIMING: 66000 CPU: 263.027, 0.00396991/step Wall: 263.027, 0.00396991/step, 0.478595 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 66000 676.9889 1901.7557 1996.5546 98.5583 -14.2386 -1042.8665 183.8408 0.0000 2763.4822 6564.0753 305.2343 3800.5931 6594.3932 305.6607 PRESSURE: 66100 0 0 0 0 0 0 0 0 0 GPRESSURE: 66100 0 0 0 0 0 0 0 0 0 PRESSAVG: 66100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66100 0 0 0 0 0 0 0 0 0 TIMING: 66100 CPU: 263.425, 0.0039818/step Wall: 263.425, 0.0039818/step, 0.479918 hours remaining, 109.511719 MB of memory in use. ENERGY: 66100 660.0435 1903.4890 1995.7544 110.2323 -13.5160 -999.4837 151.5892 0.0000 2726.1154 6534.2241 301.1070 3808.1087 6570.1038 303.5886 PRESSURE: 66200 0 0 0 0 0 0 0 0 0 GPRESSURE: 66200 0 0 0 0 0 0 0 0 0 PRESSAVG: 66200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66200 0 0 0 0 0 0 0 0 0 TIMING: 66200 CPU: 263.822, 0.00396928/step Wall: 263.822, 0.00396928/step, 0.478298 hours remaining, 109.511719 MB of memory in use. ENERGY: 66200 615.1099 1920.2767 2013.2199 92.0107 -12.9885 -1008.0046 174.9448 0.0000 2686.3171 6480.8861 296.7112 3794.5690 6514.6153 301.6845 PRESSURE: 66300 0 0 0 0 0 0 0 0 0 GPRESSURE: 66300 0 0 0 0 0 0 0 0 0 PRESSAVG: 66300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66300 0 0 0 0 0 0 0 0 0 TIMING: 66300 CPU: 264.219, 0.00396982/step Wall: 264.219, 0.00396982/step, 0.478253 hours remaining, 109.511719 MB of memory in use. ENERGY: 66300 665.8003 1855.0404 2018.8178 112.0569 -14.2724 -1032.5613 178.0096 0.0000 2682.4936 6465.3849 296.2889 3782.8913 6502.0635 298.8604 PRESSURE: 66400 0 0 0 0 0 0 0 0 0 GPRESSURE: 66400 0 0 0 0 0 0 0 0 0 PRESSAVG: 66400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66400 0 0 0 0 0 0 0 0 0 TIMING: 66400 CPU: 264.617, 0.00398111/step Wall: 264.617, 0.00398111/step, 0.479503 hours remaining, 109.511719 MB of memory in use. ENERGY: 66400 678.0713 1862.8575 2031.8235 102.6811 -13.7800 -1034.3835 164.8792 0.0000 2690.6459 6482.7951 297.1893 3792.1492 6516.4255 298.8108 PRESSURE: 66500 0 0 0 0 0 0 0 0 0 GPRESSURE: 66500 0 0 0 0 0 0 0 0 0 PRESSAVG: 66500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66500 0 0 0 0 0 0 0 0 0 TIMING: 66500 CPU: 265.014, 0.00397164/step Wall: 265.014, 0.00397163/step, 0.47825 hours remaining, 109.511719 MB of memory in use. ENERGY: 66500 650.7291 1811.8317 2040.5333 99.3283 -13.0486 -1017.4672 166.4641 0.0000 2703.9229 6442.2937 298.6558 3738.3707 6474.9484 298.3886 PRESSURE: 66600 0 0 0 0 0 0 0 0 0 GPRESSURE: 66600 0 0 0 0 0 0 0 0 0 PRESSAVG: 66600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66600 0 0 0 0 0 0 0 0 0 TIMING: 66600 CPU: 265.413, 0.00398384/step Wall: 265.413, 0.00398385/step, 0.479611 hours remaining, 109.511719 MB of memory in use. ENERGY: 66600 650.2862 1878.2932 2004.0434 92.5793 -14.2846 -1045.7023 160.4877 0.0000 2732.5600 6458.2630 301.8189 3725.7030 6489.3127 296.4073 PRESSURE: 66700 0 0 0 0 0 0 0 0 0 GPRESSURE: 66700 0 0 0 0 0 0 0 0 0 PRESSAVG: 66700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66700 0 0 0 0 0 0 0 0 0 TIMING: 66700 CPU: 265.81, 0.00396981/step Wall: 265.81, 0.00396981/step, 0.477811 hours remaining, 109.511719 MB of memory in use. ENERGY: 66700 642.7876 1900.7032 2018.2914 84.9748 -14.3919 -1028.6318 151.4996 0.0000 2701.8810 6457.1139 298.4303 3755.2329 6490.7105 298.6388 PRESSURE: 66800 0 0 0 0 0 0 0 0 0 GPRESSURE: 66800 0 0 0 0 0 0 0 0 0 PRESSAVG: 66800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66800 0 0 0 0 0 0 0 0 0 TIMING: 66800 CPU: 266.207, 0.00397004/step Wall: 266.207, 0.00397004/step, 0.477728 hours remaining, 109.511719 MB of memory in use. ENERGY: 66800 640.5940 1897.1085 2020.6771 101.6602 -14.4887 -1045.8573 154.0992 0.0000 2714.8062 6468.5992 299.8579 3753.7930 6502.4355 300.3097 PRESSURE: 66900 0 0 0 0 0 0 0 0 0 GPRESSURE: 66900 0 0 0 0 0 0 0 0 0 PRESSAVG: 66900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 66900 0 0 0 0 0 0 0 0 0 TIMING: 66900 CPU: 266.605, 0.0039814/step Wall: 266.605, 0.0039814/step, 0.478984 hours remaining, 109.511719 MB of memory in use. ENERGY: 66900 650.2991 1860.4819 2027.7961 102.2926 -14.3353 -1033.8635 160.4980 0.0000 2737.1917 6490.3606 302.3304 3753.1690 6523.6624 299.8938 PRESSURE: 67000 0 0 0 0 0 0 0 0 0 GPRESSURE: 67000 0 0 0 0 0 0 0 0 0 PRESSAVG: 67000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67000 0 0 0 0 0 0 0 0 0 TIMING: 67000 CPU: 267.002, 0.00396831/step Wall: 267.002, 0.00396831/step, 0.4773 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 67000 618.0868 1905.4807 2005.1881 96.2022 -14.8326 -1045.6161 167.0790 0.0000 2706.4353 6438.0235 298.9333 3731.5882 6470.8343 299.8867 PRESSURE: 67100 0 0 0 0 0 0 0 0 0 GPRESSURE: 67100 0 0 0 0 0 0 0 0 0 PRESSAVG: 67100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67100 0 0 0 0 0 0 0 0 0 TIMING: 67100 CPU: 267.4, 0.00398589/step Wall: 267.4, 0.00398589/step, 0.479303 hours remaining, 109.511719 MB of memory in use. ENERGY: 67100 656.5732 1864.6363 2024.5683 103.1511 -14.2137 -1046.1535 159.1062 0.0000 2727.7209 6475.3888 301.2844 3747.6679 6506.7816 296.1842 PRESSURE: 67200 0 0 0 0 0 0 0 0 0 GPRESSURE: 67200 0 0 0 0 0 0 0 0 0 PRESSAVG: 67200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67200 0 0 0 0 0 0 0 0 0 TIMING: 67200 CPU: 267.797, 0.00397008/step Wall: 267.797, 0.00397008/step, 0.477292 hours remaining, 109.511719 MB of memory in use. ENERGY: 67200 688.3696 1896.3248 2016.1732 97.6925 -15.5538 -1076.0725 157.0649 0.0000 2703.1841 6467.1827 298.5742 3763.9986 6497.2152 299.6285 PRESSURE: 67300 0 0 0 0 0 0 0 0 0 GPRESSURE: 67300 0 0 0 0 0 0 0 0 0 PRESSAVG: 67300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67300 0 0 0 0 0 0 0 0 0 TIMING: 67300 CPU: 268.194, 0.00397011/step Wall: 268.194, 0.00397011/step, 0.477185 hours remaining, 109.511719 MB of memory in use. ENERGY: 67300 638.7341 1903.6481 2033.8994 99.2401 -14.5097 -1020.0304 173.3660 0.0000 2639.6427 6453.9901 291.5559 3814.3475 6484.6184 300.2542 PRESSURE: 67400 0 0 0 0 0 0 0 0 0 GPRESSURE: 67400 0 0 0 0 0 0 0 0 0 PRESSAVG: 67400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67400 0 0 0 0 0 0 0 0 0 TIMING: 67400 CPU: 268.592, 0.00398004/step Wall: 268.592, 0.00398004/step, 0.478268 hours remaining, 109.511719 MB of memory in use. ENERGY: 67400 641.2109 1892.1604 2011.1224 102.4264 -13.5066 -1022.7672 168.4880 0.0000 2705.6126 6484.7470 298.8424 3779.1343 6518.4383 299.8118 PRESSURE: 67500 0 0 0 0 0 0 0 0 0 GPRESSURE: 67500 0 0 0 0 0 0 0 0 0 PRESSAVG: 67500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67500 0 0 0 0 0 0 0 0 0 TIMING: 67500 CPU: 268.989, 0.00396997/step Wall: 268.989, 0.00396997/step, 0.476948 hours remaining, 109.511719 MB of memory in use. ENERGY: 67500 693.7287 1839.0595 1982.1380 93.6822 -14.4037 -1040.7827 168.7525 0.0000 2720.7973 6442.9718 300.5196 3722.1745 6474.8007 300.2438 PRESSURE: 67600 0 0 0 0 0 0 0 0 0 GPRESSURE: 67600 0 0 0 0 0 0 0 0 0 PRESSAVG: 67600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67600 0 0 0 0 0 0 0 0 0 TIMING: 67600 CPU: 269.387, 0.00397816/step Wall: 269.387, 0.00397816/step, 0.477821 hours remaining, 109.511719 MB of memory in use. ENERGY: 67600 610.7158 1906.2998 2019.6430 91.4380 -14.0969 -1046.5892 172.4181 0.0000 2721.6481 6461.4766 300.6136 3739.8285 6495.5761 299.3496 PRESSURE: 67700 0 0 0 0 0 0 0 0 0 GPRESSURE: 67700 0 0 0 0 0 0 0 0 0 PRESSAVG: 67700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67700 0 0 0 0 0 0 0 0 0 TIMING: 67700 CPU: 269.784, 0.00397219/step Wall: 269.784, 0.00397219/step, 0.476994 hours remaining, 109.511719 MB of memory in use. ENERGY: 67700 606.3029 1831.2877 2024.3342 98.2390 -13.5736 -1010.7374 169.6832 0.0000 2788.5307 6494.0667 308.0010 3705.5361 6530.7626 299.2601 PRESSURE: 67800 0 0 0 0 0 0 0 0 0 GPRESSURE: 67800 0 0 0 0 0 0 0 0 0 PRESSAVG: 67800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67800 0 0 0 0 0 0 0 0 0 TIMING: 67800 CPU: 270.181, 0.00397/step Wall: 270.181, 0.00397/step, 0.476621 hours remaining, 109.511719 MB of memory in use. ENERGY: 67800 679.2381 1888.1206 2003.8624 103.4022 -14.1146 -1040.4361 170.8870 0.0000 2706.0668 6497.0264 298.8926 3790.9596 6529.2221 300.2191 PRESSURE: 67900 0 0 0 0 0 0 0 0 0 GPRESSURE: 67900 0 0 0 0 0 0 0 0 0 PRESSAVG: 67900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 67900 0 0 0 0 0 0 0 0 0 TIMING: 67900 CPU: 270.581, 0.00399587/step Wall: 270.581, 0.00399587/step, 0.479615 hours remaining, 109.511719 MB of memory in use. ENERGY: 67900 663.1932 1922.8382 2013.2294 105.4194 -13.3125 -1054.2427 169.0771 0.0000 2724.6661 6530.8681 300.9470 3806.2020 6560.4592 301.2416 PRESSURE: 68000 0 0 0 0 0 0 0 0 0 GPRESSURE: 68000 0 0 0 0 0 0 0 0 0 PRESSAVG: 68000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68000 0 0 0 0 0 0 0 0 0 TIMING: 68000 CPU: 270.978, 0.00396979/step Wall: 270.978, 0.00396979/step, 0.476375 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 68000 659.5370 1888.4860 2005.6555 102.8279 -13.7822 -1028.9697 165.2735 0.0000 2736.6448 6515.6728 302.2700 3779.0280 6550.2227 302.8882 PRESSURE: 68100 0 0 0 0 0 0 0 0 0 GPRESSURE: 68100 0 0 0 0 0 0 0 0 0 PRESSAVG: 68100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68100 0 0 0 0 0 0 0 0 0 TIMING: 68100 CPU: 271.376, 0.00398085/step Wall: 271.376, 0.00398085/step, 0.477591 hours remaining, 109.511719 MB of memory in use. ENERGY: 68100 700.0062 1855.2108 2034.9549 114.4376 -13.5273 -1065.1027 174.5044 0.0000 2714.7104 6515.1942 299.8473 3800.4838 6550.7388 302.5249 PRESSURE: 68200 0 0 0 0 0 0 0 0 0 GPRESSURE: 68200 0 0 0 0 0 0 0 0 0 PRESSAVG: 68200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68200 0 0 0 0 0 0 0 0 0 TIMING: 68200 CPU: 271.773, 0.00397195/step Wall: 271.773, 0.00397195/step, 0.476413 hours remaining, 109.511719 MB of memory in use. ENERGY: 68200 657.3285 1878.4317 1991.5458 116.3186 -14.1113 -1052.9581 164.6399 0.0000 2733.2459 6474.4410 301.8946 3741.1951 6508.3182 300.1099 LDB: ============= START OF LOAD BALANCING ============== 274.548 LDB: ============== END OF LOAD BALANCING =============== 274.548 LDB: =============== DONE WITH MIGRATION ================ 274.548 PRESSURE: 68300 0 0 0 0 0 0 0 0 0 GPRESSURE: 68300 0 0 0 0 0 0 0 0 0 PRESSAVG: 68300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68300 0 0 0 0 0 0 0 0 0 TIMING: 68300 CPU: 272.17, 0.00397265/step Wall: 272.17, 0.00397265/step, 0.476387 hours remaining, 109.511719 MB of memory in use. ENERGY: 68300 645.1768 1920.9453 2002.3620 116.1609 -14.3711 -1083.4064 161.8650 0.0000 2696.4816 6445.2140 297.8339 3748.7325 6475.7646 300.1997 LDB: ============= START OF LOAD BALANCING ============== 274.946 LDB: ============== END OF LOAD BALANCING =============== 274.946 LDB: =============== DONE WITH MIGRATION ================ 274.946 PRESSURE: 68400 0 0 0 0 0 0 0 0 0 GPRESSURE: 68400 0 0 0 0 0 0 0 0 0 PRESSAVG: 68400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68400 0 0 0 0 0 0 0 0 0 TIMING: 68400 CPU: 272.569, 0.00398451/step Wall: 272.569, 0.00398451/step, 0.477699 hours remaining, 109.511719 MB of memory in use. ENERGY: 68400 671.2755 1911.2167 2005.3369 103.9584 -13.7937 -1053.8214 171.9390 0.0000 2659.9319 6456.0434 293.7969 3796.1115 6490.5240 299.0903 PRESSURE: 68500 0 0 0 0 0 0 0 0 0 GPRESSURE: 68500 0 0 0 0 0 0 0 0 0 PRESSAVG: 68500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68500 0 0 0 0 0 0 0 0 0 TIMING: 68500 CPU: 272.966, 0.00396939/step Wall: 272.966, 0.00396939/step, 0.475776 hours remaining, 109.511719 MB of memory in use. ENERGY: 68500 689.3881 1896.1796 1993.6839 101.0900 -13.8695 -1023.1122 152.7926 0.0000 2667.2806 6463.4330 294.6086 3796.1524 6494.5225 297.6236 PRESSURE: 68600 0 0 0 0 0 0 0 0 0 GPRESSURE: 68600 0 0 0 0 0 0 0 0 0 PRESSAVG: 68600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68600 0 0 0 0 0 0 0 0 0 TIMING: 68600 CPU: 273.364, 0.00397983/step Wall: 273.364, 0.00397983/step, 0.476916 hours remaining, 109.511719 MB of memory in use. ENERGY: 68600 675.7093 1874.7269 1982.1375 105.1595 -13.4703 -1093.0189 170.7513 0.0000 2716.6553 6418.6505 300.0621 3701.9952 6452.5618 298.3624 PRESSURE: 68700 0 0 0 0 0 0 0 0 0 GPRESSURE: 68700 0 0 0 0 0 0 0 0 0 PRESSAVG: 68700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68700 0 0 0 0 0 0 0 0 0 TIMING: 68700 CPU: 273.761, 0.00397098/step Wall: 273.761, 0.00397098/step, 0.475746 hours remaining, 109.511719 MB of memory in use. ENERGY: 68700 655.4557 1867.1304 2008.6444 108.6531 -14.4069 -1049.5828 161.1292 0.0000 2662.9161 6399.9392 294.1265 3737.0231 6430.5902 295.9845 PRESSURE: 68800 0 0 0 0 0 0 0 0 0 GPRESSURE: 68800 0 0 0 0 0 0 0 0 0 PRESSAVG: 68800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68800 0 0 0 0 0 0 0 0 0 TIMING: 68800 CPU: 274.158, 0.00396979/step Wall: 274.158, 0.00396979/step, 0.475493 hours remaining, 109.511719 MB of memory in use. ENERGY: 68800 671.7731 1873.9798 2022.4170 100.5594 -13.0773 -1083.3759 155.3257 0.0000 2670.4884 6398.0902 294.9629 3727.6017 6429.7864 295.9083 PRESSURE: 68900 0 0 0 0 0 0 0 0 0 GPRESSURE: 68900 0 0 0 0 0 0 0 0 0 PRESSAVG: 68900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 68900 0 0 0 0 0 0 0 0 0 TIMING: 68900 CPU: 274.556, 0.0039786/step Wall: 274.556, 0.0039786/step, 0.476437 hours remaining, 109.511719 MB of memory in use. ENERGY: 68900 626.4686 1867.6012 2025.4680 98.0107 -14.1273 -1079.3232 162.3925 0.0000 2710.5820 6397.0725 299.3913 3686.4904 6432.8751 295.1778 PRESSURE: 69000 0 0 0 0 0 0 0 0 0 GPRESSURE: 69000 0 0 0 0 0 0 0 0 0 PRESSAVG: 69000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69000 0 0 0 0 0 0 0 0 0 TIMING: 69000 CPU: 274.953, 0.00397162/step Wall: 274.953, 0.00397162/step, 0.475491 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 69000 639.5549 1898.9950 1996.8491 113.0197 -14.7570 -1069.2084 162.3225 0.0000 2662.1247 6388.9006 294.0391 3726.7758 6419.5962 295.1474 PRESSURE: 69100 0 0 0 0 0 0 0 0 0 GPRESSURE: 69100 0 0 0 0 0 0 0 0 0 PRESSAVG: 69100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69100 0 0 0 0 0 0 0 0 0 TIMING: 69100 CPU: 275.351, 0.00397759/step Wall: 275.351, 0.00397759/step, 0.476096 hours remaining, 109.511719 MB of memory in use. ENERGY: 69100 682.5056 1867.7895 2003.5623 105.9581 -15.3626 -1059.3915 150.2070 0.0000 2657.3269 6392.5953 293.5092 3735.2684 6422.9120 295.2619 PRESSURE: 69200 0 0 0 0 0 0 0 0 0 GPRESSURE: 69200 0 0 0 0 0 0 0 0 0 PRESSAVG: 69200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69200 0 0 0 0 0 0 0 0 0 TIMING: 69200 CPU: 275.748, 0.00396959/step Wall: 275.748, 0.00396959/step, 0.475027 hours remaining, 109.511719 MB of memory in use. ENERGY: 69200 653.5384 1825.6804 2001.4393 99.4585 -13.7656 -1040.6257 159.2945 0.0000 2697.3199 6382.3398 297.9265 3685.0198 6416.0742 294.7339 PRESSURE: 69300 0 0 0 0 0 0 0 0 0 GPRESSURE: 69300 0 0 0 0 0 0 0 0 0 PRESSAVG: 69300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69300 0 0 0 0 0 0 0 0 0 TIMING: 69300 CPU: 276.145, 0.00397139/step Wall: 276.145, 0.00397139/step, 0.475133 hours remaining, 109.511719 MB of memory in use. ENERGY: 69300 705.5450 1870.1770 2007.9347 97.2966 -14.3709 -1075.6012 152.4299 0.0000 2699.7077 6443.1188 298.1902 3743.4111 6471.4245 296.8193 PRESSURE: 69400 0 0 0 0 0 0 0 0 0 GPRESSURE: 69400 0 0 0 0 0 0 0 0 0 PRESSAVG: 69400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69400 0 0 0 0 0 0 0 0 0 TIMING: 69400 CPU: 276.542, 0.00397515/step Wall: 276.542, 0.00397515/step, 0.475472 hours remaining, 109.511719 MB of memory in use. ENERGY: 69400 649.3443 1896.1333 1996.2349 102.6790 -13.7017 -1062.8336 172.0678 0.0000 2718.1764 6458.1004 300.2302 3739.9240 6489.9698 298.0595 PRESSURE: 69500 0 0 0 0 0 0 0 0 0 GPRESSURE: 69500 0 0 0 0 0 0 0 0 0 PRESSAVG: 69500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69500 0 0 0 0 0 0 0 0 0 TIMING: 69500 CPU: 276.939, 0.00397119/step Wall: 276.939, 0.00397119/step, 0.474888 hours remaining, 109.511719 MB of memory in use. ENERGY: 69500 695.0728 1946.0565 1988.1284 100.5833 -13.3063 -1053.6150 174.9503 0.0000 2624.9890 6462.8592 289.9374 3837.8701 6489.0465 297.9160 PRESSURE: 69600 0 0 0 0 0 0 0 0 0 GPRESSURE: 69600 0 0 0 0 0 0 0 0 0 PRESSAVG: 69600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69600 0 0 0 0 0 0 0 0 0 TIMING: 69600 CPU: 277.337, 0.00397903/step Wall: 277.337, 0.00397903/step, 0.475715 hours remaining, 109.511719 MB of memory in use. ENERGY: 69600 644.6854 1848.4750 2008.1782 109.0888 -14.2604 -1038.3483 173.3661 0.0000 2720.3645 6451.5493 300.4718 3731.1848 6486.0997 298.4031 PRESSURE: 69700 0 0 0 0 0 0 0 0 0 GPRESSURE: 69700 0 0 0 0 0 0 0 0 0 PRESSAVG: 69700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69700 0 0 0 0 0 0 0 0 0 TIMING: 69700 CPU: 277.734, 0.00396935/step Wall: 277.734, 0.00396935/step, 0.474448 hours remaining, 109.511719 MB of memory in use. ENERGY: 69700 655.0488 1863.8650 1993.4514 107.3473 -14.4120 -1010.3722 169.8413 0.0000 2730.2283 6494.9980 301.5613 3764.7696 6526.7865 298.5702 PRESSURE: 69800 0 0 0 0 0 0 0 0 0 GPRESSURE: 69800 0 0 0 0 0 0 0 0 0 PRESSAVG: 69800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69800 0 0 0 0 0 0 0 0 0 TIMING: 69800 CPU: 278.131, 0.00396993/step Wall: 278.131, 0.00396993/step, 0.474407 hours remaining, 109.511719 MB of memory in use. ENERGY: 69800 664.7878 1897.0109 2027.9423 105.8462 -12.8241 -1067.3132 178.6440 0.0000 2702.7460 6496.8399 298.5258 3794.0939 6529.7458 300.5990 PRESSURE: 69900 0 0 0 0 0 0 0 0 0 GPRESSURE: 69900 0 0 0 0 0 0 0 0 0 PRESSAVG: 69900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 69900 0 0 0 0 0 0 0 0 0 TIMING: 69900 CPU: 278.529, 0.00397605/step Wall: 278.529, 0.00397605/step, 0.475027 hours remaining, 109.511719 MB of memory in use. ENERGY: 69900 677.2240 1933.6840 2035.2830 99.3856 -13.9653 -1068.3793 161.0544 0.0000 2631.5461 6455.8325 290.6616 3824.2864 6484.0588 297.6799 PRESSURE: 70000 0 0 0 0 0 0 0 0 0 GPRESSURE: 70000 0 0 0 0 0 0 0 0 0 PRESSAVG: 70000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70000 0 0 0 0 0 0 0 0 0 TIMING: 70000 CPU: 278.926, 0.00396974/step Wall: 278.926, 0.00396974/step, 0.474163 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 70000 642.0828 1850.4453 1997.6079 105.2289 -14.0474 -1046.0351 158.3993 0.0000 2747.3029 6440.9846 303.4473 3693.6817 6473.9630 298.5875 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 70000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 70000 WRITING COORDINATES TO RESTART FILE AT STEP 70000 FINISHED WRITING RESTART COORDINATES The last position output (seq=70000) takes 0.009 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 70000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 70100 0 0 0 0 0 0 0 0 0 GPRESSURE: 70100 0 0 0 0 0 0 0 0 0 PRESSAVG: 70100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70100 0 0 0 0 0 0 0 0 0 TIMING: 70100 CPU: 279.354, 0.00427806/step Wall: 279.354, 0.00427806/step, 0.510872 hours remaining, 109.511719 MB of memory in use. ENERGY: 70100 662.6473 1861.3146 2008.4188 101.8576 -13.4414 -1027.2497 170.3791 0.0000 2688.2837 6452.2101 296.9284 3763.9264 6482.7650 298.0165 PRESSURE: 70200 0 0 0 0 0 0 0 0 0 GPRESSURE: 70200 0 0 0 0 0 0 0 0 0 PRESSAVG: 70200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70200 0 0 0 0 0 0 0 0 0 TIMING: 70200 CPU: 279.751, 0.00397047/step Wall: 279.751, 0.00397047/step, 0.47403 hours remaining, 109.511719 MB of memory in use. ENERGY: 70200 648.3207 1902.6204 2025.5603 106.6271 -14.3531 -1074.9245 162.0621 0.0000 2687.6622 6443.5752 296.8598 3755.9130 6473.8198 298.7771 PRESSURE: 70300 0 0 0 0 0 0 0 0 0 GPRESSURE: 70300 0 0 0 0 0 0 0 0 0 PRESSAVG: 70300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70300 0 0 0 0 0 0 0 0 0 TIMING: 70300 CPU: 280.148, 0.00397178/step Wall: 280.148, 0.00397178/step, 0.474076 hours remaining, 109.511719 MB of memory in use. ENERGY: 70300 647.2511 1820.5132 2010.8498 93.0121 -13.3031 -1015.2090 163.0016 0.0000 2711.7106 6417.8263 299.5160 3706.1157 6454.3157 297.0476 PRESSURE: 70400 0 0 0 0 0 0 0 0 0 GPRESSURE: 70400 0 0 0 0 0 0 0 0 0 PRESSAVG: 70400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70400 0 0 0 0 0 0 0 0 0 TIMING: 70400 CPU: 280.546, 0.0039778/step Wall: 280.546, 0.0039778/step, 0.474684 hours remaining, 109.511719 MB of memory in use. ENERGY: 70400 630.7112 1857.3004 1993.0127 100.1318 -13.6754 -1055.3749 151.6775 0.0000 2683.0565 6346.8396 296.3511 3663.7832 6379.3011 294.5665 PRESSURE: 70500 0 0 0 0 0 0 0 0 0 GPRESSURE: 70500 0 0 0 0 0 0 0 0 0 PRESSAVG: 70500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70500 0 0 0 0 0 0 0 0 0 TIMING: 70500 CPU: 280.943, 0.00397099/step Wall: 280.943, 0.00397099/step, 0.473761 hours remaining, 109.511719 MB of memory in use. ENERGY: 70500 640.4791 1872.5336 2013.8348 93.1941 -14.2854 -1030.1603 166.2694 0.0000 2560.1179 6301.9831 282.7722 3741.8652 6333.4926 290.7261 PRESSURE: 70600 0 0 0 0 0 0 0 0 0 GPRESSURE: 70600 0 0 0 0 0 0 0 0 0 PRESSAVG: 70600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70600 0 0 0 0 0 0 0 0 0 TIMING: 70600 CPU: 281.34, 0.00397499/step Wall: 281.34, 0.00397499/step, 0.474128 hours remaining, 109.511719 MB of memory in use. ENERGY: 70600 629.9804 1889.2498 2015.3818 99.6237 -13.9444 -1064.8430 153.1931 0.0000 2623.2190 6331.8602 289.7418 3708.6413 6362.0019 291.3219 PRESSURE: 70700 0 0 0 0 0 0 0 0 0 GPRESSURE: 70700 0 0 0 0 0 0 0 0 0 PRESSAVG: 70700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70700 0 0 0 0 0 0 0 0 0 TIMING: 70700 CPU: 281.737, 0.0039719/step Wall: 281.737, 0.0039719/step, 0.473649 hours remaining, 109.511719 MB of memory in use. ENERGY: 70700 643.5102 1818.4450 2000.8245 86.2442 -13.0607 -1059.7407 158.6736 0.0000 2704.0427 6338.9388 298.6690 3634.8961 6374.1190 291.3059 PRESSURE: 70800 0 0 0 0 0 0 0 0 0 GPRESSURE: 70800 0 0 0 0 0 0 0 0 0 PRESSAVG: 70800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70800 0 0 0 0 0 0 0 0 0 TIMING: 70800 CPU: 282.134, 0.00397099/step Wall: 282.134, 0.00397099/step, 0.47343 hours remaining, 109.511719 MB of memory in use. ENERGY: 70800 630.0291 1850.5124 2011.6243 98.9518 -13.7116 -1039.8661 168.7534 0.0000 2658.5390 6364.8323 293.6430 3706.2933 6396.8409 293.0225 PRESSURE: 70900 0 0 0 0 0 0 0 0 0 GPRESSURE: 70900 0 0 0 0 0 0 0 0 0 PRESSAVG: 70900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 70900 0 0 0 0 0 0 0 0 0 TIMING: 70900 CPU: 282.532, 0.00398007/step Wall: 282.532, 0.00398007/step, 0.474402 hours remaining, 109.511719 MB of memory in use. ENERGY: 70900 612.8137 1868.0180 1981.2808 104.3032 -13.6755 -1061.7291 160.4189 0.0000 2707.8401 6359.2701 299.0885 3651.4300 6394.6606 294.5422 PRESSURE: 71000 0 0 0 0 0 0 0 0 0 GPRESSURE: 71000 0 0 0 0 0 0 0 0 0 PRESSAVG: 71000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71000 0 0 0 0 0 0 0 0 0 TIMING: 71000 CPU: 282.93, 0.00397169/step Wall: 282.93, 0.00397169/step, 0.473293 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 71000 660.3327 1842.9321 2012.4629 98.0997 -13.4520 -1023.6899 163.3899 0.0000 2628.7444 6368.8199 290.3521 3740.0755 6401.6218 294.9628 PRESSURE: 71100 0 0 0 0 0 0 0 0 0 GPRESSURE: 71100 0 0 0 0 0 0 0 0 0 PRESSAVG: 71100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71100 0 0 0 0 0 0 0 0 0 TIMING: 71100 CPU: 283.327, 0.00397224/step Wall: 283.327, 0.00397224/step, 0.473248 hours remaining, 109.511719 MB of memory in use. ENERGY: 71100 652.3639 1829.9564 1997.6020 107.0179 -12.6982 -1051.9502 170.6912 0.0000 2716.1644 6409.1473 300.0079 3692.9829 6442.9469 295.2704 PRESSURE: 71200 0 0 0 0 0 0 0 0 0 GPRESSURE: 71200 0 0 0 0 0 0 0 0 0 PRESSAVG: 71200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71200 0 0 0 0 0 0 0 0 0 TIMING: 71200 CPU: 283.724, 0.00397543/step Wall: 283.724, 0.00397543/step, 0.473518 hours remaining, 109.511719 MB of memory in use. ENERGY: 71200 654.6693 1862.8031 1995.4503 100.1976 -13.8836 -1059.1751 165.0941 0.0000 2690.2349 6395.3905 297.1439 3705.1556 6429.6667 296.5854 PRESSURE: 71300 0 0 0 0 0 0 0 0 0 GPRESSURE: 71300 0 0 0 0 0 0 0 0 0 PRESSAVG: 71300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71300 0 0 0 0 0 0 0 0 0 TIMING: 71300 CPU: 284.121, 0.00397058/step Wall: 284.121, 0.00397058/step, 0.47283 hours remaining, 109.511719 MB of memory in use. ENERGY: 71300 627.6358 1881.7872 1992.8890 102.6759 -14.5024 -1043.4433 168.4944 0.0000 2701.1090 6416.6456 298.3450 3715.5366 6448.9293 296.1634 PRESSURE: 71400 0 0 0 0 0 0 0 0 0 GPRESSURE: 71400 0 0 0 0 0 0 0 0 0 PRESSAVG: 71400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71400 0 0 0 0 0 0 0 0 0 TIMING: 71400 CPU: 284.519, 0.00397433/step Wall: 284.519, 0.00397433/step, 0.473166 hours remaining, 109.511719 MB of memory in use. ENERGY: 71400 644.6747 1876.9243 2027.5107 107.0608 -14.1890 -1057.6392 173.7492 0.0000 2661.2291 6419.3206 293.9402 3758.0915 6451.5929 296.7949 PRESSURE: 71500 0 0 0 0 0 0 0 0 0 GPRESSURE: 71500 0 0 0 0 0 0 0 0 0 PRESSAVG: 71500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71500 0 0 0 0 0 0 0 0 0 TIMING: 71500 CPU: 284.916, 0.00397089/step Wall: 284.916, 0.00397089/step, 0.472646 hours remaining, 109.511719 MB of memory in use. ENERGY: 71500 684.9943 1838.8295 2007.4679 95.6250 -15.1561 -1069.4992 158.4059 0.0000 2695.7660 6396.4333 297.7549 3700.6673 6429.7691 296.2617 PRESSURE: 71600 0 0 0 0 0 0 0 0 0 GPRESSURE: 71600 0 0 0 0 0 0 0 0 0 PRESSAVG: 71600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71600 0 0 0 0 0 0 0 0 0 TIMING: 71600 CPU: 285.313, 0.00397129/step Wall: 285.313, 0.00397129/step, 0.472584 hours remaining, 109.511719 MB of memory in use. ENERGY: 71600 644.2407 1898.0391 2012.0131 100.2257 -13.9783 -1043.8246 180.2351 0.0000 2654.5864 6431.5372 293.2065 3776.9508 6462.4370 296.0504 PRESSURE: 71700 0 0 0 0 0 0 0 0 0 GPRESSURE: 71700 0 0 0 0 0 0 0 0 0 PRESSAVG: 71700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71700 0 0 0 0 0 0 0 0 0 TIMING: 71700 CPU: 285.711, 0.00397563/step Wall: 285.711, 0.00397563/step, 0.47299 hours remaining, 109.511719 MB of memory in use. ENERGY: 71700 666.9768 1830.0517 2018.4339 106.3795 -14.4058 -1046.7972 161.2724 0.0000 2685.8146 6407.7259 296.6557 3721.9113 6440.1439 296.7479 PRESSURE: 71800 0 0 0 0 0 0 0 0 0 GPRESSURE: 71800 0 0 0 0 0 0 0 0 0 PRESSAVG: 71800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71800 0 0 0 0 0 0 0 0 0 TIMING: 71800 CPU: 286.108, 0.00396934/step Wall: 286.108, 0.00396934/step, 0.472131 hours remaining, 109.511719 MB of memory in use. ENERGY: 71800 671.2433 1912.8172 2011.0125 99.5905 -14.1689 -1048.2461 170.8319 0.0000 2611.5486 6414.6290 288.4528 3803.0804 6443.1404 295.5949 PRESSURE: 71900 0 0 0 0 0 0 0 0 0 GPRESSURE: 71900 0 0 0 0 0 0 0 0 0 PRESSAVG: 71900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 71900 0 0 0 0 0 0 0 0 0 TIMING: 71900 CPU: 286.505, 0.00397805/step Wall: 286.505, 0.00397805/step, 0.473056 hours remaining, 109.511719 MB of memory in use. ENERGY: 71900 625.0780 1853.7094 2011.4224 94.6943 -13.2733 -1039.4002 158.3458 0.0000 2713.1845 6403.7609 299.6788 3690.5764 6436.1541 295.8129 PRESSURE: 72000 0 0 0 0 0 0 0 0 0 GPRESSURE: 72000 0 0 0 0 0 0 0 0 0 PRESSAVG: 72000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72000 0 0 0 0 0 0 0 0 0 TIMING: 72000 CPU: 286.902, 0.00397027/step Wall: 286.902, 0.00397027/step, 0.472021 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 72000 663.4954 1885.2811 1989.5586 100.7066 -14.2449 -1025.0273 165.4314 0.0000 2642.9434 6408.1443 291.9205 3765.2009 6439.9471 296.8424 PRESSURE: 72100 0 0 0 0 0 0 0 0 0 GPRESSURE: 72100 0 0 0 0 0 0 0 0 0 PRESSAVG: 72100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72100 0 0 0 0 0 0 0 0 0 TIMING: 72100 CPU: 287.3, 0.00397265/step Wall: 287.3, 0.00397265/step, 0.472194 hours remaining, 109.511719 MB of memory in use. ENERGY: 72100 648.5085 1797.5971 2025.7414 102.7216 -14.1653 -1046.8809 169.3667 0.0000 2710.0508 6392.9399 299.3327 3682.8891 6427.4724 297.0070 PRESSURE: 72200 0 0 0 0 0 0 0 0 0 GPRESSURE: 72200 0 0 0 0 0 0 0 0 0 PRESSAVG: 72200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72200 0 0 0 0 0 0 0 0 0 TIMING: 72200 CPU: 287.697, 0.00397604/step Wall: 287.697, 0.00397604/step, 0.472486 hours remaining, 109.511719 MB of memory in use. ENERGY: 72200 660.9834 1854.7366 2021.5893 113.4913 -14.3231 -1039.3241 174.6752 0.0000 2646.9015 6418.7299 292.3576 3771.8284 6448.5033 295.6187 LDB: ============= START OF LOAD BALANCING ============== 290.472 LDB: ============== END OF LOAD BALANCING =============== 290.472 LDB: =============== DONE WITH MIGRATION ================ 290.472 PRESSURE: 72300 0 0 0 0 0 0 0 0 0 GPRESSURE: 72300 0 0 0 0 0 0 0 0 0 PRESSAVG: 72300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72300 0 0 0 0 0 0 0 0 0 TIMING: 72300 CPU: 288.094, 0.00397046/step Wall: 288.094, 0.00397046/step, 0.471713 hours remaining, 109.511719 MB of memory in use. ENERGY: 72300 671.6672 1838.1764 1998.7210 104.0279 -14.9099 -1058.7405 158.8569 0.0000 2726.7295 6424.5285 301.1749 3697.7990 6460.0846 297.6551 LDB: ============= START OF LOAD BALANCING ============== 290.87 LDB: ============== END OF LOAD BALANCING =============== 290.87 LDB: =============== DONE WITH MIGRATION ================ 290.87 PRESSURE: 72400 0 0 0 0 0 0 0 0 0 GPRESSURE: 72400 0 0 0 0 0 0 0 0 0 PRESSAVG: 72400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72400 0 0 0 0 0 0 0 0 0 TIMING: 72400 CPU: 288.493, 0.00398459/step Wall: 288.493, 0.00398459/step, 0.473281 hours remaining, 109.511719 MB of memory in use. ENERGY: 72400 658.5359 1876.8919 1984.0566 105.0725 -14.4275 -1014.8193 156.9295 0.0000 2674.7795 6427.0191 295.4368 3752.2396 6459.8538 298.3712 PRESSURE: 72500 0 0 0 0 0 0 0 0 0 GPRESSURE: 72500 0 0 0 0 0 0 0 0 0 PRESSAVG: 72500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72500 0 0 0 0 0 0 0 0 0 TIMING: 72500 CPU: 288.89, 0.00397273/step Wall: 288.89, 0.00397273/step, 0.471761 hours remaining, 109.511719 MB of memory in use. ENERGY: 72500 656.2322 1894.5417 1996.6081 95.3952 -14.6236 -1037.3675 160.7248 0.0000 2679.1570 6430.6680 295.9204 3751.5110 6460.9513 296.5817 PRESSURE: 72600 0 0 0 0 0 0 0 0 0 GPRESSURE: 72600 0 0 0 0 0 0 0 0 0 PRESSAVG: 72600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72600 0 0 0 0 0 0 0 0 0 TIMING: 72600 CPU: 289.287, 0.00397193/step Wall: 289.287, 0.00397193/step, 0.471557 hours remaining, 109.511719 MB of memory in use. ENERGY: 72600 635.3187 1850.9138 1988.5298 117.0390 -14.7277 -1072.0208 169.6185 0.0000 2749.0653 6423.7366 303.6419 3674.6713 6461.5475 296.9988 PRESSURE: 72700 0 0 0 0 0 0 0 0 0 GPRESSURE: 72700 0 0 0 0 0 0 0 0 0 PRESSAVG: 72700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72700 0 0 0 0 0 0 0 0 0 TIMING: 72700 CPU: 289.685, 0.00397567/step Wall: 289.685, 0.00397567/step, 0.47189 hours remaining, 109.511719 MB of memory in use. ENERGY: 72700 664.2660 1877.6036 2023.3446 107.3686 -14.0641 -1069.0739 187.1301 0.0000 2612.4274 6389.0023 288.5499 3776.5748 6419.7128 296.8249 PRESSURE: 72800 0 0 0 0 0 0 0 0 0 GPRESSURE: 72800 0 0 0 0 0 0 0 0 0 PRESSAVG: 72800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72800 0 0 0 0 0 0 0 0 0 TIMING: 72800 CPU: 290.082, 0.00396838/step Wall: 290.082, 0.00396838/step, 0.470915 hours remaining, 109.511719 MB of memory in use. ENERGY: 72800 648.2448 1876.3596 2032.6477 95.5816 -12.5549 -1055.0310 173.6062 0.0000 2665.5915 6424.4456 294.4220 3758.8541 6457.8650 294.5527 PRESSURE: 72900 0 0 0 0 0 0 0 0 0 GPRESSURE: 72900 0 0 0 0 0 0 0 0 0 PRESSAVG: 72900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 72900 0 0 0 0 0 0 0 0 0 TIMING: 72900 CPU: 290.479, 0.00397755/step Wall: 290.479, 0.00397755/step, 0.471892 hours remaining, 109.511719 MB of memory in use. ENERGY: 72900 658.9891 1885.9049 2003.2671 97.1499 -13.1895 -1075.6310 159.4705 0.0000 2698.4820 6414.4432 298.0549 3715.9612 6446.2062 296.6828 PRESSURE: 73000 0 0 0 0 0 0 0 0 0 GPRESSURE: 73000 0 0 0 0 0 0 0 0 0 PRESSAVG: 73000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73000 0 0 0 0 0 0 0 0 0 TIMING: 73000 CPU: 290.876, 0.00396916/step Wall: 290.876, 0.00396916/step, 0.470786 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 73000 686.5984 1868.2427 2011.4009 111.8111 -13.4219 -1038.1357 168.3686 0.0000 2674.0247 6468.8889 295.3535 3794.8641 6499.4732 298.3605 PRESSURE: 73100 0 0 0 0 0 0 0 0 0 GPRESSURE: 73100 0 0 0 0 0 0 0 0 0 PRESSAVG: 73100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73100 0 0 0 0 0 0 0 0 0 TIMING: 73100 CPU: 291.274, 0.00397238/step Wall: 291.274, 0.00397238/step, 0.471058 hours remaining, 109.511719 MB of memory in use. ENERGY: 73100 670.6682 1875.1878 2012.2737 97.0790 -12.3782 -1068.1019 168.5925 0.0000 2715.9783 6459.2994 299.9874 3743.3211 6493.2704 298.4824 PRESSURE: 73200 0 0 0 0 0 0 0 0 0 GPRESSURE: 73200 0 0 0 0 0 0 0 0 0 PRESSAVG: 73200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73200 0 0 0 0 0 0 0 0 0 TIMING: 73200 CPU: 291.671, 0.00397827/step Wall: 291.671, 0.00397827/step, 0.471646 hours remaining, 109.511719 MB of memory in use. ENERGY: 73200 658.5653 1841.4270 1991.8791 99.2353 -14.0444 -1046.4691 181.4920 0.0000 2714.2754 6426.3606 299.7993 3712.0852 6461.1150 297.4264 PRESSURE: 73300 0 0 0 0 0 0 0 0 0 GPRESSURE: 73300 0 0 0 0 0 0 0 0 0 PRESSAVG: 73300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73300 0 0 0 0 0 0 0 0 0 TIMING: 73300 CPU: 292.068, 0.00396959/step Wall: 292.068, 0.00396959/step, 0.470506 hours remaining, 109.511719 MB of memory in use. ENERGY: 73300 636.1089 1865.1580 2018.8661 97.6182 -14.1448 -1059.8116 170.8314 0.0000 2700.9786 6415.6047 298.3306 3714.6261 6448.5494 297.0260 PRESSURE: 73400 0 0 0 0 0 0 0 0 0 GPRESSURE: 73400 0 0 0 0 0 0 0 0 0 PRESSAVG: 73400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73400 0 0 0 0 0 0 0 0 0 TIMING: 73400 CPU: 292.467, 0.00398305/step Wall: 292.467, 0.00398305/step, 0.471992 hours remaining, 109.511719 MB of memory in use. ENERGY: 73400 667.5308 1793.4355 1995.1583 103.9040 -14.5567 -1064.3423 174.2471 0.0000 2727.4704 6382.8471 301.2567 3655.3766 6417.9170 295.6692 PRESSURE: 73500 0 0 0 0 0 0 0 0 0 GPRESSURE: 73500 0 0 0 0 0 0 0 0 0 PRESSAVG: 73500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73500 0 0 0 0 0 0 0 0 0 TIMING: 73500 CPU: 292.864, 0.00396884/step Wall: 292.864, 0.00396884/step, 0.470197 hours remaining, 109.511719 MB of memory in use. ENERGY: 73500 617.5608 1894.5314 1971.4183 95.5409 -14.1484 -1052.2872 172.8751 0.0000 2685.5366 6371.0274 296.6250 3685.4909 6403.1940 294.2372 PRESSURE: 73600 0 0 0 0 0 0 0 0 0 GPRESSURE: 73600 0 0 0 0 0 0 0 0 0 PRESSAVG: 73600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73600 0 0 0 0 0 0 0 0 0 TIMING: 73600 CPU: 293.261, 0.00397195/step Wall: 293.261, 0.00397195/step, 0.470455 hours remaining, 109.511719 MB of memory in use. ENERGY: 73600 682.7011 1824.1008 2014.8418 107.6001 -13.8225 -1063.6619 160.8399 0.0000 2656.5309 6369.1302 293.4212 3712.5993 6400.3244 294.4531 PRESSURE: 73700 0 0 0 0 0 0 0 0 0 GPRESSURE: 73700 0 0 0 0 0 0 0 0 0 PRESSAVG: 73700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73700 0 0 0 0 0 0 0 0 0 TIMING: 73700 CPU: 293.659, 0.00398369/step Wall: 293.659, 0.00398369/step, 0.471735 hours remaining, 109.511719 MB of memory in use. ENERGY: 73700 653.3011 1802.5306 1974.3685 107.1891 -14.2206 -1048.3160 165.8336 0.0000 2701.7256 6342.4119 298.4131 3640.6863 6378.7245 295.3603 PRESSURE: 73800 0 0 0 0 0 0 0 0 0 GPRESSURE: 73800 0 0 0 0 0 0 0 0 0 PRESSAVG: 73800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73800 0 0 0 0 0 0 0 0 0 TIMING: 73800 CPU: 294.056, 0.00397182/step Wall: 294.056, 0.00397182/step, 0.470219 hours remaining, 109.511719 MB of memory in use. ENERGY: 73800 616.1088 1850.4229 1983.6354 95.6614 -13.6388 -1033.3171 158.2359 0.0000 2656.8684 6313.9769 293.4585 3657.1085 6348.9087 293.1103 PRESSURE: 73900 0 0 0 0 0 0 0 0 0 GPRESSURE: 73900 0 0 0 0 0 0 0 0 0 PRESSAVG: 73900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 73900 0 0 0 0 0 0 0 0 0 TIMING: 73900 CPU: 294.454, 0.00398006/step Wall: 294.454, 0.00398006/step, 0.471084 hours remaining, 109.511719 MB of memory in use. ENERGY: 73900 625.1034 1840.1879 1958.8782 110.5962 -14.8358 -1022.3412 149.1758 0.0000 2649.7619 6296.5264 292.6736 3646.7645 6330.9810 290.4739 PRESSURE: 74000 0 0 0 0 0 0 0 0 0 GPRESSURE: 74000 0 0 0 0 0 0 0 0 0 PRESSAVG: 74000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74000 0 0 0 0 0 0 0 0 0 TIMING: 74000 CPU: 294.851, 0.00397173/step Wall: 294.851, 0.00397173/step, 0.469988 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 74000 655.4058 1791.9614 1994.1574 102.2734 -14.0443 -1018.6376 159.3091 0.0000 2627.3951 6297.8203 290.2031 3670.4253 6332.2348 290.5944 PRESSURE: 74100 0 0 0 0 0 0 0 0 0 GPRESSURE: 74100 0 0 0 0 0 0 0 0 0 PRESSAVG: 74100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74100 0 0 0 0 0 0 0 0 0 TIMING: 74100 CPU: 295.249, 0.0039728/step Wall: 295.249, 0.0039728/step, 0.470004 hours remaining, 109.511719 MB of memory in use. ENERGY: 74100 644.5236 1872.9733 1976.9239 102.7725 -13.2256 -1082.8883 162.3030 0.0000 2659.5351 6322.9174 293.7531 3663.3823 6353.8099 291.9127 PRESSURE: 74200 0 0 0 0 0 0 0 0 0 GPRESSURE: 74200 0 0 0 0 0 0 0 0 0 PRESSAVG: 74200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74200 0 0 0 0 0 0 0 0 0 TIMING: 74200 CPU: 295.647, 0.00398184/step Wall: 295.647, 0.00398184/step, 0.470963 hours remaining, 109.511719 MB of memory in use. ENERGY: 74200 675.1627 1839.8790 1955.2678 97.9277 -13.4953 -1045.5556 171.3240 0.0000 2631.3503 6311.8606 290.6400 3680.5104 6343.5464 291.8213 PRESSURE: 74300 0 0 0 0 0 0 0 0 0 GPRESSURE: 74300 0 0 0 0 0 0 0 0 0 PRESSAVG: 74300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74300 0 0 0 0 0 0 0 0 0 TIMING: 74300 CPU: 296.044, 0.0039719/step Wall: 296.044, 0.0039719/step, 0.469677 hours remaining, 109.511719 MB of memory in use. ENERGY: 74300 640.8861 1813.0611 1999.7290 98.9136 -13.5887 -1077.5925 157.5290 0.0000 2665.9472 6284.8849 294.4613 3618.9376 6320.0485 290.0541 PRESSURE: 74400 0 0 0 0 0 0 0 0 0 GPRESSURE: 74400 0 0 0 0 0 0 0 0 0 PRESSAVG: 74400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74400 0 0 0 0 0 0 0 0 0 TIMING: 74400 CPU: 296.442, 0.00398177/step Wall: 296.442, 0.00398177/step, 0.470734 hours remaining, 109.511719 MB of memory in use. ENERGY: 74400 635.4502 1822.1353 1991.7690 97.0410 -15.2890 -1044.6551 162.1028 0.0000 2616.3555 6264.9096 288.9838 3648.5541 6298.4036 290.3902 PRESSURE: 74500 0 0 0 0 0 0 0 0 0 GPRESSURE: 74500 0 0 0 0 0 0 0 0 0 PRESSAVG: 74500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74500 0 0 0 0 0 0 0 0 0 TIMING: 74500 CPU: 296.839, 0.00397144/step Wall: 296.839, 0.00397144/step, 0.469402 hours remaining, 109.511719 MB of memory in use. ENERGY: 74500 671.2572 1839.9478 1973.0689 111.1261 -15.3018 -1059.7084 155.8341 0.0000 2648.0319 6324.2558 292.4825 3676.2239 6354.9580 290.6417 PRESSURE: 74600 0 0 0 0 0 0 0 0 0 GPRESSURE: 74600 0 0 0 0 0 0 0 0 0 PRESSAVG: 74600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74600 0 0 0 0 0 0 0 0 0 TIMING: 74600 CPU: 297.236, 0.0039693/step Wall: 297.236, 0.0039693/step, 0.469039 hours remaining, 109.511719 MB of memory in use. ENERGY: 74600 618.0764 1841.1636 1998.1588 88.8300 -14.2724 -1025.2101 167.0400 0.0000 2657.4209 6331.2073 293.5195 3673.7864 6362.2548 291.1480 PRESSURE: 74700 0 0 0 0 0 0 0 0 0 GPRESSURE: 74700 0 0 0 0 0 0 0 0 0 PRESSAVG: 74700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74700 0 0 0 0 0 0 0 0 0 TIMING: 74700 CPU: 297.634, 0.00398075/step Wall: 297.634, 0.00398075/step, 0.470282 hours remaining, 109.511719 MB of memory in use. ENERGY: 74700 622.9910 1850.9897 1999.8402 101.6075 -14.1458 -1023.3061 156.9411 0.0000 2655.9526 6350.8701 293.3574 3694.9176 6386.2893 291.9998 PRESSURE: 74800 0 0 0 0 0 0 0 0 0 GPRESSURE: 74800 0 0 0 0 0 0 0 0 0 PRESSAVG: 74800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74800 0 0 0 0 0 0 0 0 0 TIMING: 74800 CPU: 298.032, 0.00397156/step Wall: 298.032, 0.00397156/step, 0.469085 hours remaining, 109.511719 MB of memory in use. ENERGY: 74800 641.8130 1869.4241 1976.8335 97.8528 -14.2532 -1043.1796 171.0808 0.0000 2705.9681 6405.5394 298.8817 3699.5713 6438.1237 294.8355 PRESSURE: 74900 0 0 0 0 0 0 0 0 0 GPRESSURE: 74900 0 0 0 0 0 0 0 0 0 PRESSAVG: 74900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 74900 0 0 0 0 0 0 0 0 0 TIMING: 74900 CPU: 298.43, 0.00398149/step Wall: 298.43, 0.00398149/step, 0.470148 hours remaining, 109.511719 MB of memory in use. ENERGY: 74900 657.7398 1898.3175 1981.6387 109.0063 -13.4605 -1043.6847 161.4920 0.0000 2693.9227 6444.9718 297.5513 3751.0491 6476.5716 296.2436 PRESSURE: 75000 0 0 0 0 0 0 0 0 0 GPRESSURE: 75000 0 0 0 0 0 0 0 0 0 PRESSAVG: 75000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75000 0 0 0 0 0 0 0 0 0 TIMING: 75000 CPU: 298.827, 0.00397106/step Wall: 298.827, 0.00397106/step, 0.468806 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 75000 645.6827 1841.6253 2023.5790 107.6906 -14.6254 -1060.5353 173.8873 0.0000 2720.2412 6437.5455 300.4582 3717.3043 6473.3091 298.0134 PRESSURE: 75100 0 0 0 0 0 0 0 0 0 GPRESSURE: 75100 0 0 0 0 0 0 0 0 0 PRESSAVG: 75100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75100 0 0 0 0 0 0 0 0 0 TIMING: 75100 CPU: 299.224, 0.00397049/step Wall: 299.224, 0.00397049/step, 0.468628 hours remaining, 109.511719 MB of memory in use. ENERGY: 75100 669.0316 1906.3508 1976.0467 111.4470 -15.1543 -1072.0593 152.3530 0.0000 2682.5558 6410.5713 296.2958 3728.0154 6444.0537 298.3788 PRESSURE: 75200 0 0 0 0 0 0 0 0 0 GPRESSURE: 75200 0 0 0 0 0 0 0 0 0 PRESSAVG: 75200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75200 0 0 0 0 0 0 0 0 0 TIMING: 75200 CPU: 299.622, 0.00398456/step Wall: 299.622, 0.00398455/step, 0.470177 hours remaining, 109.511719 MB of memory in use. ENERGY: 75200 659.8395 1896.9693 1973.8479 96.0733 -14.8446 -1060.5140 153.7879 0.0000 2709.1304 6414.2897 299.2310 3705.1593 6448.8126 295.9997 PRESSURE: 75300 0 0 0 0 0 0 0 0 0 GPRESSURE: 75300 0 0 0 0 0 0 0 0 0 PRESSAVG: 75300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75300 0 0 0 0 0 0 0 0 0 TIMING: 75300 CPU: 300.019, 0.00396964/step Wall: 300.019, 0.00396965/step, 0.468308 hours remaining, 109.511719 MB of memory in use. ENERGY: 75300 610.1712 1950.7336 1983.6147 107.8142 -14.7271 -1023.2652 146.9082 0.0000 2650.9462 6412.1958 292.8044 3761.2496 6443.1551 296.5998 PRESSURE: 75400 0 0 0 0 0 0 0 0 0 GPRESSURE: 75400 0 0 0 0 0 0 0 0 0 PRESSAVG: 75400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75400 0 0 0 0 0 0 0 0 0 TIMING: 75400 CPU: 300.417, 0.00398093/step Wall: 300.417, 0.00398092/step, 0.469527 hours remaining, 109.511719 MB of memory in use. ENERGY: 75400 665.8907 1868.2498 1975.6461 95.1819 -14.6676 -1055.3461 150.6857 0.0000 2727.3148 6412.9551 301.2395 3685.6404 6445.6305 297.1838 PRESSURE: 75500 0 0 0 0 0 0 0 0 0 GPRESSURE: 75500 0 0 0 0 0 0 0 0 0 PRESSAVG: 75500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75500 0 0 0 0 0 0 0 0 0 TIMING: 75500 CPU: 300.814, 0.00396999/step Wall: 300.814, 0.00397/step, 0.468129 hours remaining, 109.511719 MB of memory in use. ENERGY: 75500 658.4587 1874.3207 2000.0108 107.1444 -15.2445 -1038.3248 151.8742 0.0000 2715.5827 6453.8223 299.9437 3738.2395 6490.7082 298.9230 PRESSURE: 75600 0 0 0 0 0 0 0 0 0 GPRESSURE: 75600 0 0 0 0 0 0 0 0 0 PRESSAVG: 75600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75600 0 0 0 0 0 0 0 0 0 TIMING: 75600 CPU: 301.211, 0.00397093/step Wall: 301.211, 0.00397093/step, 0.468129 hours remaining, 109.511719 MB of memory in use. ENERGY: 75600 634.1593 1874.0394 1997.9889 101.8904 -13.9227 -1044.0168 169.7269 0.0000 2727.3199 6447.1852 301.2401 3719.8653 6481.5998 297.8980 PRESSURE: 75700 0 0 0 0 0 0 0 0 0 GPRESSURE: 75700 0 0 0 0 0 0 0 0 0 PRESSAVG: 75700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75700 0 0 0 0 0 0 0 0 0 TIMING: 75700 CPU: 301.61, 0.00398472/step Wall: 301.61, 0.00398472/step, 0.469644 hours remaining, 109.511719 MB of memory in use. ENERGY: 75700 673.5640 1852.7868 2020.8656 100.4110 -15.2520 -1091.2799 159.8679 0.0000 2709.6934 6410.6567 299.2932 3700.9634 6444.2709 297.2102 PRESSURE: 75800 0 0 0 0 0 0 0 0 0 GPRESSURE: 75800 0 0 0 0 0 0 0 0 0 PRESSAVG: 75800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75800 0 0 0 0 0 0 0 0 0 TIMING: 75800 CPU: 302.007, 0.00397076/step Wall: 302.007, 0.00397076/step, 0.467888 hours remaining, 109.511719 MB of memory in use. ENERGY: 75800 683.3134 1834.9277 1972.5380 92.9356 -13.1127 -1050.4686 167.2263 0.0000 2719.4249 6406.7846 300.3681 3687.3597 6440.7547 296.5553 PRESSURE: 75900 0 0 0 0 0 0 0 0 0 GPRESSURE: 75900 0 0 0 0 0 0 0 0 0 PRESSAVG: 75900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 75900 0 0 0 0 0 0 0 0 0 TIMING: 75900 CPU: 302.405, 0.00398086/step Wall: 302.405, 0.00398086/step, 0.468968 hours remaining, 109.511719 MB of memory in use. ENERGY: 75900 649.8079 1805.1651 2010.6831 112.5267 -12.5662 -1073.2854 172.7351 0.0000 2778.2779 6443.3443 306.8685 3665.0663 6478.5379 297.0584 PRESSURE: 76000 0 0 0 0 0 0 0 0 0 GPRESSURE: 76000 0 0 0 0 0 0 0 0 0 PRESSAVG: 76000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76000 0 0 0 0 0 0 0 0 0 TIMING: 76000 CPU: 302.802, 0.00397127/step Wall: 302.802, 0.00397127/step, 0.467727 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 76000 654.2084 1875.1188 2009.1931 124.0455 -12.5584 -1047.4305 176.6017 0.0000 2707.5628 6486.7414 299.0579 3779.1786 6521.2917 299.7095 PRESSURE: 76100 0 0 0 0 0 0 0 0 0 GPRESSURE: 76100 0 0 0 0 0 0 0 0 0 PRESSAVG: 76100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76100 0 0 0 0 0 0 0 0 0 TIMING: 76100 CPU: 303.199, 0.00397071/step Wall: 303.199, 0.00397071/step, 0.467551 hours remaining, 109.511719 MB of memory in use. ENERGY: 76100 626.9310 1844.4789 2013.3555 114.4681 -13.3623 -1001.1029 168.0356 0.0000 2716.7040 6469.5079 300.0675 3752.8039 6502.1792 297.4415 PRESSURE: 76200 0 0 0 0 0 0 0 0 0 GPRESSURE: 76200 0 0 0 0 0 0 0 0 0 PRESSAVG: 76200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76200 0 0 0 0 0 0 0 0 0 TIMING: 76200 CPU: 303.598, 0.00398266/step Wall: 303.598, 0.00398266/step, 0.468847 hours remaining, 109.511719 MB of memory in use. ENERGY: 76200 641.6757 1879.3263 2000.3438 124.9214 -14.1889 -1033.5234 164.4637 0.0000 2704.2556 6467.2742 298.6926 3763.0186 6501.3953 299.3925 LDB: ============= START OF LOAD BALANCING ============== 306.372 LDB: ============== END OF LOAD BALANCING =============== 306.372 LDB: =============== DONE WITH MIGRATION ================ 306.372 PRESSURE: 76300 0 0 0 0 0 0 0 0 0 GPRESSURE: 76300 0 0 0 0 0 0 0 0 0 PRESSAVG: 76300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76300 0 0 0 0 0 0 0 0 0 TIMING: 76300 CPU: 303.995, 0.00397037/step Wall: 303.995, 0.00397037/step, 0.467291 hours remaining, 109.511719 MB of memory in use. ENERGY: 76300 655.1089 1885.1020 1995.6959 100.9321 -13.0077 -1068.2256 170.1540 0.0000 2714.9909 6440.7505 299.8783 3725.7595 6473.8487 299.1486 LDB: ============= START OF LOAD BALANCING ============== 306.771 LDB: ============== END OF LOAD BALANCING =============== 306.771 LDB: =============== DONE WITH MIGRATION ================ 306.771 PRESSURE: 76400 0 0 0 0 0 0 0 0 0 GPRESSURE: 76400 0 0 0 0 0 0 0 0 0 PRESSAVG: 76400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76400 0 0 0 0 0 0 0 0 0 TIMING: 76400 CPU: 304.393, 0.00398796/step Wall: 304.393, 0.00398796/step, 0.46925 hours remaining, 109.511719 MB of memory in use. ENERGY: 76400 648.3744 1916.7534 1991.8479 110.3053 -14.3926 -1063.7739 153.7304 0.0000 2652.1532 6394.9981 292.9377 3742.8449 6426.9634 296.8317 PRESSURE: 76500 0 0 0 0 0 0 0 0 0 GPRESSURE: 76500 0 0 0 0 0 0 0 0 0 PRESSAVG: 76500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76500 0 0 0 0 0 0 0 0 0 TIMING: 76500 CPU: 304.791, 0.00397616/step Wall: 304.791, 0.00397616/step, 0.467751 hours remaining, 109.511719 MB of memory in use. ENERGY: 76500 631.5182 1862.1401 2031.1552 103.3255 -13.1109 -1039.6308 164.4861 0.0000 2672.4182 6412.3015 295.1760 3739.8833 6443.8402 294.7532 PRESSURE: 76600 0 0 0 0 0 0 0 0 0 GPRESSURE: 76600 0 0 0 0 0 0 0 0 0 PRESSAVG: 76600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76600 0 0 0 0 0 0 0 0 0 TIMING: 76600 CPU: 305.188, 0.00397022/step Wall: 305.188, 0.00397022/step, 0.466942 hours remaining, 109.511719 MB of memory in use. ENERGY: 76600 629.2361 1819.1350 2016.8820 113.7452 -13.5829 -1027.8384 159.6535 0.0000 2683.6792 6380.9096 296.4198 3697.2304 6413.4121 295.3852 PRESSURE: 76700 0 0 0 0 0 0 0 0 0 GPRESSURE: 76700 0 0 0 0 0 0 0 0 0 PRESSAVG: 76700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76700 0 0 0 0 0 0 0 0 0 TIMING: 76700 CPU: 305.586, 0.00398304/step Wall: 305.586, 0.00398304/step, 0.468339 hours remaining, 109.511719 MB of memory in use. ENERGY: 76700 654.0526 1889.7918 1995.6691 91.6819 -14.3295 -1028.5959 170.4524 0.0000 2643.7805 6402.5030 292.0129 3758.7225 6433.0971 295.1367 PRESSURE: 76800 0 0 0 0 0 0 0 0 0 GPRESSURE: 76800 0 0 0 0 0 0 0 0 0 PRESSAVG: 76800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76800 0 0 0 0 0 0 0 0 0 TIMING: 76800 CPU: 305.983, 0.00397014/step Wall: 305.983, 0.00397014/step, 0.466712 hours remaining, 109.511719 MB of memory in use. ENERGY: 76800 650.2097 1848.0382 2011.3446 122.7051 -14.3807 -1045.4487 165.8503 0.0000 2645.9826 6384.3010 292.2562 3738.3183 6414.7540 296.5921 PRESSURE: 76900 0 0 0 0 0 0 0 0 0 GPRESSURE: 76900 0 0 0 0 0 0 0 0 0 PRESSAVG: 76900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 76900 0 0 0 0 0 0 0 0 0 TIMING: 76900 CPU: 306.381, 0.00397588/step Wall: 306.381, 0.00397588/step, 0.467276 hours remaining, 109.511719 MB of memory in use. ENERGY: 76900 633.5265 1846.3874 2019.2575 97.6926 -14.4784 -1008.1862 158.2801 0.0000 2638.4970 6370.9766 291.4293 3732.4796 6402.2274 293.2762 PRESSURE: 77000 0 0 0 0 0 0 0 0 0 GPRESSURE: 77000 0 0 0 0 0 0 0 0 0 PRESSAVG: 77000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77000 0 0 0 0 0 0 0 0 0 TIMING: 77000 CPU: 306.779, 0.00397573/step Wall: 306.779, 0.00397573/step, 0.467148 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 77000 606.9909 1851.5585 2021.3441 100.8169 -14.8945 -1050.4084 163.7618 0.0000 2728.1956 6407.3648 301.3368 3679.1692 6440.3710 294.9523 PRESSURE: 77100 0 0 0 0 0 0 0 0 0 GPRESSURE: 77100 0 0 0 0 0 0 0 0 0 PRESSAVG: 77100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77100 0 0 0 0 0 0 0 0 0 TIMING: 77100 CPU: 307.176, 0.00397179/step Wall: 307.176, 0.00397179/step, 0.466575 hours remaining, 109.511719 MB of memory in use. ENERGY: 77100 638.5622 1870.4910 2026.4932 103.3105 -13.6260 -1037.1059 165.3086 0.0000 2672.5400 6425.9737 295.1895 3753.4337 6459.8889 296.2748 PRESSURE: 77200 0 0 0 0 0 0 0 0 0 GPRESSURE: 77200 0 0 0 0 0 0 0 0 0 PRESSAVG: 77200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77200 0 0 0 0 0 0 0 0 0 TIMING: 77200 CPU: 307.574, 0.00398412/step Wall: 307.574, 0.00398412/step, 0.467913 hours remaining, 109.511719 MB of memory in use. ENERGY: 77200 656.7675 1859.2229 2027.2778 106.6500 -13.4285 -1049.0017 164.6403 0.0000 2709.8910 6462.0193 299.3150 3752.1284 6493.1481 296.9206 PRESSURE: 77300 0 0 0 0 0 0 0 0 0 GPRESSURE: 77300 0 0 0 0 0 0 0 0 0 PRESSAVG: 77300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77300 0 0 0 0 0 0 0 0 0 TIMING: 77300 CPU: 307.971, 0.00397033/step Wall: 307.971, 0.00397033/step, 0.466183 hours remaining, 109.511719 MB of memory in use. ENERGY: 77300 657.7668 1865.9952 2003.8240 99.7131 -13.7599 -1032.8970 153.0746 0.0000 2710.3915 6444.1082 299.3703 3733.7167 6476.3120 299.4010 PRESSURE: 77400 0 0 0 0 0 0 0 0 0 GPRESSURE: 77400 0 0 0 0 0 0 0 0 0 PRESSAVG: 77400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77400 0 0 0 0 0 0 0 0 0 TIMING: 77400 CPU: 308.368, 0.00397085/step Wall: 308.368, 0.00397085/step, 0.466134 hours remaining, 109.511719 MB of memory in use. ENERGY: 77400 663.6858 1838.8800 2016.9625 99.3681 -12.8162 -1029.6088 161.0386 0.0000 2656.8075 6394.3175 293.4518 3737.5100 6427.7846 296.2305 PRESSURE: 77500 0 0 0 0 0 0 0 0 0 GPRESSURE: 77500 0 0 0 0 0 0 0 0 0 PRESSAVG: 77500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77500 0 0 0 0 0 0 0 0 0 TIMING: 77500 CPU: 308.766, 0.00398098/step Wall: 308.766, 0.00398098/step, 0.467212 hours remaining, 109.511719 MB of memory in use. ENERGY: 77500 665.6338 1871.5235 2032.7653 94.6428 -13.4602 -1069.9886 166.2744 0.0000 2674.7094 6422.1005 295.4291 3747.3911 6455.2518 295.7070 PRESSURE: 77600 0 0 0 0 0 0 0 0 0 GPRESSURE: 77600 0 0 0 0 0 0 0 0 0 PRESSAVG: 77600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77600 0 0 0 0 0 0 0 0 0 TIMING: 77600 CPU: 309.164, 0.00397305/step Wall: 309.164, 0.00397305/step, 0.466171 hours remaining, 109.511719 MB of memory in use. ENERGY: 77600 675.2755 1878.1977 2023.7303 100.2306 -12.5849 -1047.6913 179.8229 0.0000 2671.0934 6468.0742 295.0297 3796.9808 6502.5898 297.7883 PRESSURE: 77700 0 0 0 0 0 0 0 0 0 GPRESSURE: 77700 0 0 0 0 0 0 0 0 0 PRESSAVG: 77700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77700 0 0 0 0 0 0 0 0 0 TIMING: 77700 CPU: 309.561, 0.00397759/step Wall: 309.561, 0.00397759/step, 0.466594 hours remaining, 109.511719 MB of memory in use. ENERGY: 77700 677.3746 1877.8560 2009.2380 123.9180 -12.0779 -1055.8259 159.8076 0.0000 2682.3728 6462.6632 296.2756 3780.2904 6495.9045 298.5574 PRESSURE: 77800 0 0 0 0 0 0 0 0 0 GPRESSURE: 77800 0 0 0 0 0 0 0 0 0 PRESSAVG: 77800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77800 0 0 0 0 0 0 0 0 0 TIMING: 77800 CPU: 309.959, 0.0039714/step Wall: 309.959, 0.0039714/step, 0.465757 hours remaining, 109.511719 MB of memory in use. ENERGY: 77800 655.7866 1913.2926 1992.8515 108.6819 -12.9724 -1039.1962 173.5001 0.0000 2700.1153 6492.0595 298.2353 3791.9441 6525.6339 299.5768 PRESSURE: 77900 0 0 0 0 0 0 0 0 0 GPRESSURE: 77900 0 0 0 0 0 0 0 0 0 PRESSAVG: 77900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 77900 0 0 0 0 0 0 0 0 0 TIMING: 77900 CPU: 310.356, 0.00397164/step Wall: 310.356, 0.00397164/step, 0.465675 hours remaining, 109.511719 MB of memory in use. ENERGY: 77900 615.6776 1890.3240 2007.2382 94.1987 -13.5856 -1038.0729 157.0304 0.0000 2772.5125 6485.3229 306.2317 3712.8104 6517.5428 300.3847 PRESSURE: 78000 0 0 0 0 0 0 0 0 0 GPRESSURE: 78000 0 0 0 0 0 0 0 0 0 PRESSAVG: 78000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78000 0 0 0 0 0 0 0 0 0 TIMING: 78000 CPU: 310.757, 0.00401379/step Wall: 310.757, 0.00401379/step, 0.470505 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 78000 661.2608 1870.4525 1998.3563 102.5899 -15.2215 -1071.8304 170.0528 0.0000 2737.2668 6452.9271 302.3387 3715.6603 6489.7180 299.6070 PRESSURE: 78100 0 0 0 0 0 0 0 0 0 GPRESSURE: 78100 0 0 0 0 0 0 0 0 0 PRESSAVG: 78100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78100 0 0 0 0 0 0 0 0 0 TIMING: 78100 CPU: 311.154, 0.00397377/step Wall: 311.154, 0.00397377/step, 0.465704 hours remaining, 109.511719 MB of memory in use. ENERGY: 78100 655.0569 1899.1870 2019.4489 107.5867 -15.3838 -1075.2132 162.3484 0.0000 2702.4179 6455.4488 298.4896 3753.0309 6488.4791 298.9585 PRESSURE: 78200 0 0 0 0 0 0 0 0 0 GPRESSURE: 78200 0 0 0 0 0 0 0 0 0 PRESSAVG: 78200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78200 0 0 0 0 0 0 0 0 0 TIMING: 78200 CPU: 311.553, 0.00398508/step Wall: 311.553, 0.00398508/step, 0.466919 hours remaining, 109.511719 MB of memory in use. ENERGY: 78200 659.4070 1930.3952 2000.5770 106.7679 -13.7286 -1034.9759 170.6178 0.0000 2686.7788 6505.8393 296.7622 3819.0605 6538.8509 299.3032 PRESSURE: 78300 0 0 0 0 0 0 0 0 0 GPRESSURE: 78300 0 0 0 0 0 0 0 0 0 PRESSAVG: 78300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78300 0 0 0 0 0 0 0 0 0 TIMING: 78300 CPU: 311.95, 0.00397394/step Wall: 311.95, 0.00397394/step, 0.465503 hours remaining, 109.511719 MB of memory in use. ENERGY: 78300 652.8667 1894.4689 1998.7537 103.0785 -13.7865 -1016.5840 161.2333 0.0000 2694.1826 6474.2131 297.5800 3780.0306 6506.4377 299.0045 PRESSURE: 78400 0 0 0 0 0 0 0 0 0 GPRESSURE: 78400 0 0 0 0 0 0 0 0 0 PRESSAVG: 78400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78400 0 0 0 0 0 0 0 0 0 TIMING: 78400 CPU: 312.348, 0.00397366/step Wall: 312.348, 0.00397366/step, 0.46536 hours remaining, 109.511719 MB of memory in use. ENERGY: 78400 651.3092 1852.8139 2025.9688 109.0479 -13.5702 -1068.1809 163.2913 0.0000 2734.1206 6454.8007 301.9912 3720.6801 6486.6467 298.2759 PRESSURE: 78500 0 0 0 0 0 0 0 0 0 GPRESSURE: 78500 0 0 0 0 0 0 0 0 0 PRESSAVG: 78500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78500 0 0 0 0 0 0 0 0 0 TIMING: 78500 CPU: 312.746, 0.00398144/step Wall: 312.746, 0.00398144/step, 0.46616 hours remaining, 109.511719 MB of memory in use. ENERGY: 78500 644.2821 1867.5925 2008.1876 101.3618 -13.0398 -1049.1171 181.5388 0.0000 2709.1200 6449.9259 299.2298 3740.8059 6480.7195 298.1356 PRESSURE: 78600 0 0 0 0 0 0 0 0 0 GPRESSURE: 78600 0 0 0 0 0 0 0 0 0 PRESSAVG: 78600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78600 0 0 0 0 0 0 0 0 0 TIMING: 78600 CPU: 313.144, 0.00397668/step Wall: 313.144, 0.00397668/step, 0.465493 hours remaining, 109.511719 MB of memory in use. ENERGY: 78600 664.4798 1884.1123 2009.1000 102.5118 -14.2478 -1070.1888 160.6723 0.0000 2698.7865 6435.2260 298.0885 3736.4395 6468.3164 297.4770 PRESSURE: 78700 0 0 0 0 0 0 0 0 0 GPRESSURE: 78700 0 0 0 0 0 0 0 0 0 PRESSAVG: 78700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78700 0 0 0 0 0 0 0 0 0 TIMING: 78700 CPU: 313.542, 0.00398324/step Wall: 313.542, 0.00398324/step, 0.46615 hours remaining, 109.511719 MB of memory in use. ENERGY: 78700 657.3210 1891.9984 2024.8228 106.4221 -14.0853 -1058.0285 180.7460 0.0000 2666.9023 6456.0988 294.5668 3789.1965 6487.7364 297.7948 PRESSURE: 78800 0 0 0 0 0 0 0 0 0 GPRESSURE: 78800 0 0 0 0 0 0 0 0 0 PRESSAVG: 78800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78800 0 0 0 0 0 0 0 0 0 TIMING: 78800 CPU: 313.939, 0.00397249/step Wall: 313.939, 0.00397249/step, 0.464781 hours remaining, 109.511719 MB of memory in use. ENERGY: 78800 632.5103 1853.8149 2009.4656 110.8692 -14.9558 -1038.9094 162.4720 0.0000 2715.8692 6431.1361 299.9753 3715.2669 6466.5983 297.6024 PRESSURE: 78900 0 0 0 0 0 0 0 0 0 GPRESSURE: 78900 0 0 0 0 0 0 0 0 0 PRESSAVG: 78900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 78900 0 0 0 0 0 0 0 0 0 TIMING: 78900 CPU: 314.336, 0.00397295/step Wall: 314.336, 0.00397295/step, 0.464725 hours remaining, 109.511719 MB of memory in use. ENERGY: 78900 660.2413 1842.3303 2026.3108 101.7884 -15.8590 -1063.1858 169.7349 0.0000 2687.7235 6409.0842 296.8665 3721.3608 6444.7732 296.7552 PRESSURE: 79000 0 0 0 0 0 0 0 0 0 GPRESSURE: 79000 0 0 0 0 0 0 0 0 0 PRESSAVG: 79000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79000 0 0 0 0 0 0 0 0 0 TIMING: 79000 CPU: 314.735, 0.00398318/step Wall: 314.735, 0.00398318/step, 0.465811 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 79000 683.9545 1848.1632 2004.0205 88.1824 -15.1943 -1030.4124 159.8658 0.0000 2739.6103 6478.1900 302.5976 3738.5797 6512.9207 298.8944 PRESSURE: 79100 0 0 0 0 0 0 0 0 0 GPRESSURE: 79100 0 0 0 0 0 0 0 0 0 PRESSAVG: 79100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79100 0 0 0 0 0 0 0 0 0 TIMING: 79100 CPU: 315.132, 0.00397075/step Wall: 315.132, 0.00397075/step, 0.464247 hours remaining, 109.511719 MB of memory in use. ENERGY: 79100 682.6663 1875.7656 2001.0367 111.7253 -13.5154 -1074.2854 157.8821 0.0000 2679.5993 6420.8744 295.9692 3741.2751 6453.8195 297.6180 PRESSURE: 79200 0 0 0 0 0 0 0 0 0 GPRESSURE: 79200 0 0 0 0 0 0 0 0 0 PRESSAVG: 79200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79200 0 0 0 0 0 0 0 0 0 TIMING: 79200 CPU: 315.53, 0.00398418/step Wall: 315.53, 0.00398417/step, 0.465705 hours remaining, 109.511719 MB of memory in use. ENERGY: 79200 699.3161 1883.3041 1983.5474 102.6961 -13.6976 -1077.7699 174.0821 0.0000 2668.7079 6420.1862 294.7662 3751.4783 6456.1458 297.4817 PRESSURE: 79300 0 0 0 0 0 0 0 0 0 GPRESSURE: 79300 0 0 0 0 0 0 0 0 0 PRESSAVG: 79300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79300 0 0 0 0 0 0 0 0 0 TIMING: 79300 CPU: 315.928, 0.00397334/step Wall: 315.928, 0.00397335/step, 0.46433 hours remaining, 109.511719 MB of memory in use. ENERGY: 79300 655.5411 1872.5756 2017.1197 108.3234 -14.8992 -1027.9138 152.8007 0.0000 2723.1261 6486.6736 300.7769 3763.5475 6516.7576 298.5624 PRESSURE: 79400 0 0 0 0 0 0 0 0 0 GPRESSURE: 79400 0 0 0 0 0 0 0 0 0 PRESSAVG: 79400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79400 0 0 0 0 0 0 0 0 0 TIMING: 79400 CPU: 316.325, 0.00397206/step Wall: 316.325, 0.00397206/step, 0.464069 hours remaining, 109.511719 MB of memory in use. ENERGY: 79400 650.9800 1866.9022 2003.3423 115.0227 -14.3957 -1057.6882 161.9363 0.0000 2753.3180 6479.4176 304.1116 3726.0996 6514.7518 299.4042 PRESSURE: 79500 0 0 0 0 0 0 0 0 0 GPRESSURE: 79500 0 0 0 0 0 0 0 0 0 PRESSAVG: 79500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79500 0 0 0 0 0 0 0 0 0 TIMING: 79500 CPU: 316.723, 0.00398283/step Wall: 316.723, 0.00398283/step, 0.465217 hours remaining, 109.511719 MB of memory in use. ENERGY: 79500 633.4013 1896.6215 2010.8022 98.8288 -14.1264 -1009.3780 152.2029 0.0000 2722.3627 6490.7151 300.6925 3768.3524 6525.1901 299.9732 PRESSURE: 79600 0 0 0 0 0 0 0 0 0 GPRESSURE: 79600 0 0 0 0 0 0 0 0 0 PRESSAVG: 79600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79600 0 0 0 0 0 0 0 0 0 TIMING: 79600 CPU: 317.12, 0.0039714/step Wall: 317.12, 0.0039714/step, 0.463771 hours remaining, 109.511719 MB of memory in use. ENERGY: 79600 642.2414 1947.3035 2018.1955 102.8218 -14.2756 -1033.6513 173.0954 0.0000 2677.1670 6512.8977 295.7006 3835.7307 6546.0503 300.6047 PRESSURE: 79700 0 0 0 0 0 0 0 0 0 GPRESSURE: 79700 0 0 0 0 0 0 0 0 0 PRESSAVG: 79700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79700 0 0 0 0 0 0 0 0 0 TIMING: 79700 CPU: 317.518, 0.003983/step Wall: 317.518, 0.003983/step, 0.465015 hours remaining, 109.511719 MB of memory in use. ENERGY: 79700 686.5840 1899.5996 1984.8757 103.3514 -15.1346 -1012.2808 154.1852 0.0000 2715.6727 6516.8532 299.9536 3801.1805 6547.8317 301.3095 PRESSURE: 79800 0 0 0 0 0 0 0 0 0 GPRESSURE: 79800 0 0 0 0 0 0 0 0 0 PRESSAVG: 79800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79800 0 0 0 0 0 0 0 0 0 TIMING: 79800 CPU: 317.916, 0.00397139/step Wall: 317.916, 0.00397139/step, 0.46355 hours remaining, 109.511719 MB of memory in use. ENERGY: 79800 642.4974 1907.1045 2006.8504 107.6036 -15.2720 -1044.0491 158.1943 0.0000 2726.2132 6489.1422 301.1178 3762.9290 6524.3552 301.1757 PRESSURE: 79900 0 0 0 0 0 0 0 0 0 GPRESSURE: 79900 0 0 0 0 0 0 0 0 0 PRESSAVG: 79900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 79900 0 0 0 0 0 0 0 0 0 TIMING: 79900 CPU: 318.313, 0.00397155/step Wall: 318.313, 0.00397155/step, 0.463458 hours remaining, 109.511719 MB of memory in use. ENERGY: 79900 660.5944 1914.8351 1999.7639 102.4317 -15.2524 -1022.7274 176.1404 0.0000 2702.6219 6518.4075 298.5121 3815.7857 6552.1767 300.8038 PRESSURE: 80000 0 0 0 0 0 0 0 0 0 GPRESSURE: 80000 0 0 0 0 0 0 0 0 0 PRESSAVG: 80000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80000 0 0 0 0 0 0 0 0 0 TIMING: 80000 CPU: 318.711, 0.00398382/step Wall: 318.711, 0.00398382/step, 0.464779 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 80000 648.5116 1905.2381 2010.6439 105.6344 -15.0012 -1037.1668 157.3686 0.0000 2725.1383 6500.3669 300.9991 3775.2286 6534.9866 300.3134 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 80000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 80000 WRITING COORDINATES TO RESTART FILE AT STEP 80000 FINISHED WRITING RESTART COORDINATES The last position output (seq=80000) takes 0.011 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 80000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 80100 0 0 0 0 0 0 0 0 0 GPRESSURE: 80100 0 0 0 0 0 0 0 0 0 PRESSAVG: 80100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80100 0 0 0 0 0 0 0 0 0 TIMING: 80100 CPU: 319.205, 0.00493448/step Wall: 319.205, 0.00493448/step, 0.575552 hours remaining, 109.511719 MB of memory in use. ENERGY: 80100 654.0698 1862.0641 2009.2612 112.1951 -13.8618 -1010.9828 167.4774 0.0000 2702.8570 6483.0800 298.5381 3780.2230 6514.0021 301.2497 PRESSURE: 80200 0 0 0 0 0 0 0 0 0 GPRESSURE: 80200 0 0 0 0 0 0 0 0 0 PRESSAVG: 80200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80200 0 0 0 0 0 0 0 0 0 TIMING: 80200 CPU: 319.603, 0.00398425/step Wall: 319.603, 0.00398425/step, 0.464608 hours remaining, 109.511719 MB of memory in use. ENERGY: 80200 599.7565 1853.1436 2036.6361 118.6529 -12.8713 -1038.2075 177.1463 0.0000 2721.0316 6455.2881 300.5455 3734.2565 6490.7809 299.5371 LDB: ============= START OF LOAD BALANCING ============== 322.378 LDB: ============== END OF LOAD BALANCING =============== 322.378 LDB: =============== DONE WITH MIGRATION ================ 322.378 PRESSURE: 80300 0 0 0 0 0 0 0 0 0 GPRESSURE: 80300 0 0 0 0 0 0 0 0 0 PRESSAVG: 80300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80300 0 0 0 0 0 0 0 0 0 TIMING: 80300 CPU: 320, 0.0039744/step Wall: 320, 0.0039744/step, 0.463349 hours remaining, 109.511719 MB of memory in use. ENERGY: 80300 654.0941 1900.0227 1991.8087 105.6386 -13.4690 -1047.7138 149.3302 0.0000 2715.7319 6455.4433 299.9602 3739.7114 6490.0731 298.3337 LDB: ============= START OF LOAD BALANCING ============== 322.776 LDB: ============== END OF LOAD BALANCING =============== 322.776 LDB: =============== DONE WITH MIGRATION ================ 322.776 PRESSURE: 80400 0 0 0 0 0 0 0 0 0 GPRESSURE: 80400 0 0 0 0 0 0 0 0 0 PRESSAVG: 80400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80400 0 0 0 0 0 0 0 0 0 TIMING: 80400 CPU: 320.399, 0.00398057/step Wall: 320.399, 0.00398057/step, 0.463958 hours remaining, 109.511719 MB of memory in use. ENERGY: 80400 653.4468 1924.4617 2052.5659 103.3944 -13.7363 -1074.4803 159.2764 0.0000 2669.7894 6474.7180 294.8857 3804.9286 6507.1217 298.6773 PRESSURE: 80500 0 0 0 0 0 0 0 0 0 GPRESSURE: 80500 0 0 0 0 0 0 0 0 0 PRESSAVG: 80500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80500 0 0 0 0 0 0 0 0 0 TIMING: 80500 CPU: 320.797, 0.00398031/step Wall: 320.797, 0.00398031/step, 0.463817 hours remaining, 109.511719 MB of memory in use. ENERGY: 80500 644.2906 1899.4373 1998.9034 102.8411 -14.0364 -1062.9179 169.1996 0.0000 2695.9422 6433.6599 297.7743 3737.7177 6466.5090 298.6880 PRESSURE: 80600 0 0 0 0 0 0 0 0 0 GPRESSURE: 80600 0 0 0 0 0 0 0 0 0 PRESSAVG: 80600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80600 0 0 0 0 0 0 0 0 0 TIMING: 80600 CPU: 321.194, 0.00397094/step Wall: 321.194, 0.00397094/step, 0.462615 hours remaining, 109.511719 MB of memory in use. ENERGY: 80600 671.0093 1872.6506 2017.0952 103.5427 -15.3624 -1067.1818 160.6351 0.0000 2732.5743 6474.9629 301.8204 3742.3886 6511.1019 298.1966 PRESSURE: 80700 0 0 0 0 0 0 0 0 0 GPRESSURE: 80700 0 0 0 0 0 0 0 0 0 PRESSAVG: 80700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80700 0 0 0 0 0 0 0 0 0 TIMING: 80700 CPU: 321.592, 0.00398432/step Wall: 321.592, 0.00398432/step, 0.464063 hours remaining, 109.511719 MB of memory in use. ENERGY: 80700 646.6213 1873.2291 2020.9235 103.8969 -13.6085 -1050.4582 168.2873 0.0000 2755.9720 6504.8634 304.4048 3748.8914 6539.0083 300.5056 PRESSURE: 80800 0 0 0 0 0 0 0 0 0 GPRESSURE: 80800 0 0 0 0 0 0 0 0 0 PRESSAVG: 80800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80800 0 0 0 0 0 0 0 0 0 TIMING: 80800 CPU: 321.989, 0.00397105/step Wall: 321.989, 0.00397105/step, 0.462407 hours remaining, 109.511719 MB of memory in use. ENERGY: 80800 628.1831 1840.5635 2020.5134 112.4703 -13.5248 -1015.6339 158.3903 0.0000 2722.1649 6453.1268 300.6707 3730.9619 6486.9909 300.2289 PRESSURE: 80900 0 0 0 0 0 0 0 0 0 GPRESSURE: 80900 0 0 0 0 0 0 0 0 0 PRESSAVG: 80900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 80900 0 0 0 0 0 0 0 0 0 TIMING: 80900 CPU: 322.386, 0.00397192/step Wall: 322.386, 0.00397192/step, 0.462398 hours remaining, 109.511719 MB of memory in use. ENERGY: 80900 624.0397 1868.6127 2003.2007 97.8415 -14.6990 -1024.8807 157.0870 0.0000 2753.8272 6465.0290 304.1679 3711.2018 6501.3602 300.3959 PRESSURE: 81000 0 0 0 0 0 0 0 0 0 GPRESSURE: 81000 0 0 0 0 0 0 0 0 0 PRESSAVG: 81000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81000 0 0 0 0 0 0 0 0 0 TIMING: 81000 CPU: 322.785, 0.00398306/step Wall: 322.785, 0.00398305/step, 0.463583 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 81000 620.6373 1864.2744 2005.4689 101.9465 -14.3119 -1030.8137 163.7375 0.0000 2714.8431 6425.7821 299.8620 3710.9390 6458.7688 297.3602 PRESSURE: 81100 0 0 0 0 0 0 0 0 0 GPRESSURE: 81100 0 0 0 0 0 0 0 0 0 PRESSAVG: 81100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81100 0 0 0 0 0 0 0 0 0 TIMING: 81100 CPU: 323.182, 0.00397127/step Wall: 323.182, 0.00397128/step, 0.462103 hours remaining, 109.511719 MB of memory in use. ENERGY: 81100 653.3551 1853.5684 2000.1218 102.7736 -13.8665 -1053.1688 177.6979 0.0000 2707.4531 6427.9346 299.0457 3720.4815 6462.3028 296.5720 PRESSURE: 81200 0 0 0 0 0 0 0 0 0 GPRESSURE: 81200 0 0 0 0 0 0 0 0 0 PRESSAVG: 81200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81200 0 0 0 0 0 0 0 0 0 TIMING: 81200 CPU: 323.58, 0.00398124/step Wall: 323.58, 0.00398124/step, 0.463151 hours remaining, 109.511719 MB of memory in use. ENERGY: 81200 633.4132 1893.1312 2032.9725 96.9355 -13.7788 -1073.8376 163.5858 0.0000 2666.6526 6399.0743 294.5392 3732.4217 6431.2545 294.9980 PRESSURE: 81300 0 0 0 0 0 0 0 0 0 GPRESSURE: 81300 0 0 0 0 0 0 0 0 0 PRESSAVG: 81300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81300 0 0 0 0 0 0 0 0 0 TIMING: 81300 CPU: 323.977, 0.00397185/step Wall: 323.977, 0.00397185/step, 0.461948 hours remaining, 109.511719 MB of memory in use. ENERGY: 81300 627.4428 1868.6859 2002.9740 94.2311 -14.6723 -1046.3452 159.8417 0.0000 2737.3626 6429.5205 302.3493 3692.1579 6466.7642 294.9022 PRESSURE: 81400 0 0 0 0 0 0 0 0 0 GPRESSURE: 81400 0 0 0 0 0 0 0 0 0 PRESSAVG: 81400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81400 0 0 0 0 0 0 0 0 0 TIMING: 81400 CPU: 324.374, 0.00397339/step Wall: 324.374, 0.00397339/step, 0.462017 hours remaining, 109.511719 MB of memory in use. ENERGY: 81400 643.8436 1864.1930 2044.8826 102.5228 -14.8769 -1064.0021 146.8951 0.0000 2693.3348 6416.7930 297.4863 3723.4582 6447.4770 296.5962 PRESSURE: 81500 0 0 0 0 0 0 0 0 0 GPRESSURE: 81500 0 0 0 0 0 0 0 0 0 PRESSAVG: 81500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81500 0 0 0 0 0 0 0 0 0 TIMING: 81500 CPU: 324.773, 0.00398389/step Wall: 324.773, 0.00398389/step, 0.463127 hours remaining, 109.511719 MB of memory in use. ENERGY: 81500 625.3999 1874.8784 1995.1632 104.8754 -13.6425 -1060.7682 159.9471 0.0000 2687.9212 6373.7744 296.8884 3685.8532 6409.4901 295.9010 PRESSURE: 81600 0 0 0 0 0 0 0 0 0 GPRESSURE: 81600 0 0 0 0 0 0 0 0 0 PRESSAVG: 81600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81600 0 0 0 0 0 0 0 0 0 TIMING: 81600 CPU: 325.17, 0.00397246/step Wall: 325.17, 0.00397246/step, 0.461688 hours remaining, 109.511719 MB of memory in use. ENERGY: 81600 647.5224 1835.0481 2005.4501 108.2097 -15.1934 -1073.5030 165.8463 0.0000 2683.4277 6356.8078 296.3921 3673.3801 6393.1422 293.3036 PRESSURE: 81700 0 0 0 0 0 0 0 0 0 GPRESSURE: 81700 0 0 0 0 0 0 0 0 0 PRESSAVG: 81700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81700 0 0 0 0 0 0 0 0 0 TIMING: 81700 CPU: 325.568, 0.00398227/step Wall: 325.568, 0.00398227/step, 0.462718 hours remaining, 109.511719 MB of memory in use. ENERGY: 81700 669.5126 1826.3275 2015.9060 99.9762 -13.6241 -1060.5391 158.6764 0.0000 2636.5176 6332.7530 291.2107 3696.2354 6363.3744 292.5538 PRESSURE: 81800 0 0 0 0 0 0 0 0 0 GPRESSURE: 81800 0 0 0 0 0 0 0 0 0 PRESSAVG: 81800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81800 0 0 0 0 0 0 0 0 0 TIMING: 81800 CPU: 325.965, 0.00396982/step Wall: 325.965, 0.00396982/step, 0.461161 hours remaining, 109.511719 MB of memory in use. ENERGY: 81800 646.7593 1847.1258 2020.0793 93.0466 -13.9547 -1074.3974 153.5567 0.0000 2674.1952 6346.4108 295.3723 3672.2156 6378.3050 291.4558 PRESSURE: 81900 0 0 0 0 0 0 0 0 0 GPRESSURE: 81900 0 0 0 0 0 0 0 0 0 PRESSAVG: 81900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 81900 0 0 0 0 0 0 0 0 0 TIMING: 81900 CPU: 326.362, 0.00397036/step Wall: 326.362, 0.00397036/step, 0.461113 hours remaining, 109.511719 MB of memory in use. ENERGY: 81900 669.7145 1844.8454 1983.7649 100.5723 -14.3095 -1021.8162 155.4303 0.0000 2652.3038 6370.5055 292.9543 3718.2017 6402.0879 293.3508 PRESSURE: 82000 0 0 0 0 0 0 0 0 0 GPRESSURE: 82000 0 0 0 0 0 0 0 0 0 PRESSAVG: 82000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82000 0 0 0 0 0 0 0 0 0 TIMING: 82000 CPU: 326.76, 0.00398066/step Wall: 326.76, 0.00398066/step, 0.462199 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 82000 652.1225 1843.6692 2039.4603 93.5431 -12.8026 -1071.1346 165.0914 0.0000 2645.9631 6355.9125 292.2540 3709.9494 6388.2758 293.3624 PRESSURE: 82100 0 0 0 0 0 0 0 0 0 GPRESSURE: 82100 0 0 0 0 0 0 0 0 0 PRESSAVG: 82100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82100 0 0 0 0 0 0 0 0 0 TIMING: 82100 CPU: 327.157, 0.00397069/step Wall: 327.157, 0.00397069/step, 0.460931 hours remaining, 109.511719 MB of memory in use. ENERGY: 82100 656.7494 1877.5950 2016.9466 105.7492 -14.6775 -1035.1385 177.6835 0.0000 2646.5115 6431.4192 292.3146 3784.9077 6465.1706 295.1879 PRESSURE: 82200 0 0 0 0 0 0 0 0 0 GPRESSURE: 82200 0 0 0 0 0 0 0 0 0 PRESSAVG: 82200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82200 0 0 0 0 0 0 0 0 0 TIMING: 82200 CPU: 327.556, 0.0039816/step Wall: 327.556, 0.0039816/step, 0.462087 hours remaining, 109.511719 MB of memory in use. ENERGY: 82200 642.4121 1864.3536 2028.3607 107.0751 -13.2482 -1038.5316 173.2354 0.0000 2667.5018 6431.1589 294.6330 3763.6571 6462.2108 297.5633 PRESSURE: 82300 0 0 0 0 0 0 0 0 0 GPRESSURE: 82300 0 0 0 0 0 0 0 0 0 PRESSAVG: 82300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82300 0 0 0 0 0 0 0 0 0 TIMING: 82300 CPU: 327.953, 0.00397365/step Wall: 327.953, 0.00397365/step, 0.461054 hours remaining, 109.511719 MB of memory in use. ENERGY: 82300 651.1808 1862.8584 2048.2710 110.9247 -13.4141 -1082.6428 168.9139 0.0000 2666.8748 6412.9668 294.5638 3746.0920 6448.6096 297.5211 PRESSURE: 82400 0 0 0 0 0 0 0 0 0 GPRESSURE: 82400 0 0 0 0 0 0 0 0 0 PRESSAVG: 82400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82400 0 0 0 0 0 0 0 0 0 TIMING: 82400 CPU: 328.35, 0.0039711/step Wall: 328.35, 0.0039711/step, 0.460648 hours remaining, 109.511719 MB of memory in use. ENERGY: 82400 651.3792 1861.7199 2017.0172 113.9791 -12.5001 -1043.0391 163.2352 0.0000 2676.1063 6427.8977 295.5834 3751.7914 6459.9665 296.8935 PRESSURE: 82500 0 0 0 0 0 0 0 0 0 GPRESSURE: 82500 0 0 0 0 0 0 0 0 0 PRESSAVG: 82500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82500 0 0 0 0 0 0 0 0 0 TIMING: 82500 CPU: 328.748, 0.00398194/step Wall: 328.748, 0.00398194/step, 0.461794 hours remaining, 109.511719 MB of memory in use. ENERGY: 82500 667.6244 1840.1536 2041.6369 102.7921 -13.4132 -1051.9269 169.5420 0.0000 2634.0536 6390.4626 290.9386 3756.4090 6426.3728 294.9988 PRESSURE: 82600 0 0 0 0 0 0 0 0 0 GPRESSURE: 82600 0 0 0 0 0 0 0 0 0 PRESSAVG: 82600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82600 0 0 0 0 0 0 0 0 0 TIMING: 82600 CPU: 329.145, 0.00397029/step Wall: 329.145, 0.00397029/step, 0.460333 hours remaining, 109.511719 MB of memory in use. ENERGY: 82600 645.6772 1897.8667 2021.1639 104.7750 -13.4867 -1051.2975 156.1824 0.0000 2641.8710 6402.7519 291.8020 3760.8809 6434.0725 295.5232 PRESSURE: 82700 0 0 0 0 0 0 0 0 0 GPRESSURE: 82700 0 0 0 0 0 0 0 0 0 PRESSAVG: 82700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82700 0 0 0 0 0 0 0 0 0 TIMING: 82700 CPU: 329.544, 0.00398418/step Wall: 329.544, 0.00398418/step, 0.461833 hours remaining, 109.511719 MB of memory in use. ENERGY: 82700 648.5766 1805.2415 2014.3989 111.8628 -14.3492 -1018.3153 160.3324 0.0000 2665.7383 6373.4860 294.4382 3707.7477 6406.4697 294.3254 PRESSURE: 82800 0 0 0 0 0 0 0 0 0 GPRESSURE: 82800 0 0 0 0 0 0 0 0 0 PRESSAVG: 82800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82800 0 0 0 0 0 0 0 0 0 TIMING: 82800 CPU: 329.941, 0.00397108/step Wall: 329.941, 0.00397108/step, 0.460204 hours remaining, 109.511719 MB of memory in use. ENERGY: 82800 610.0480 1808.8482 2025.6683 102.0177 -14.1276 -1027.6010 164.2956 0.0000 2708.0375 6377.1868 299.1103 3669.1493 6410.0447 293.6418 PRESSURE: 82900 0 0 0 0 0 0 0 0 0 GPRESSURE: 82900 0 0 0 0 0 0 0 0 0 PRESSAVG: 82900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 82900 0 0 0 0 0 0 0 0 0 TIMING: 82900 CPU: 330.338, 0.00397019/step Wall: 330.338, 0.00397019/step, 0.459991 hours remaining, 109.511719 MB of memory in use. ENERGY: 82900 606.4351 1847.9439 2003.7405 95.4823 -14.3655 -1005.5115 147.0479 0.0000 2720.4222 6401.1949 300.4782 3680.7728 6432.5555 294.4640 PRESSURE: 83000 0 0 0 0 0 0 0 0 0 GPRESSURE: 83000 0 0 0 0 0 0 0 0 0 PRESSAVG: 83000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83000 0 0 0 0 0 0 0 0 0 TIMING: 83000 CPU: 330.736, 0.00397842/step Wall: 330.736, 0.00397842/step, 0.460834 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 83000 642.0003 1885.3353 2030.1790 107.5130 -13.9389 -1032.7550 176.8093 0.0000 2648.7313 6443.8745 292.5598 3795.1432 6475.8977 296.2858 PRESSURE: 83100 0 0 0 0 0 0 0 0 0 GPRESSURE: 83100 0 0 0 0 0 0 0 0 0 PRESSAVG: 83100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83100 0 0 0 0 0 0 0 0 0 TIMING: 83100 CPU: 331.133, 0.00397227/step Wall: 331.133, 0.00397227/step, 0.460011 hours remaining, 109.511719 MB of memory in use. ENERGY: 83100 647.2126 1826.7760 2020.9275 106.0238 -13.7265 -1045.9076 172.6968 0.0000 2744.5147 6458.5174 303.1393 3714.0027 6494.1808 297.5500 PRESSURE: 83200 0 0 0 0 0 0 0 0 0 GPRESSURE: 83200 0 0 0 0 0 0 0 0 0 PRESSAVG: 83200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83200 0 0 0 0 0 0 0 0 0 TIMING: 83200 CPU: 331.531, 0.00398293/step Wall: 331.531, 0.00398293/step, 0.461135 hours remaining, 109.511719 MB of memory in use. ENERGY: 83200 630.0632 1884.5096 2024.5013 102.6608 -13.5514 -1049.7296 172.0480 0.0000 2739.5944 6490.0963 302.5958 3750.5019 6523.4962 297.5089 PRESSURE: 83300 0 0 0 0 0 0 0 0 0 GPRESSURE: 83300 0 0 0 0 0 0 0 0 0 PRESSAVG: 83300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83300 0 0 0 0 0 0 0 0 0 TIMING: 83300 CPU: 331.928, 0.0039719/step Wall: 331.928, 0.0039719/step, 0.459747 hours remaining, 109.511719 MB of memory in use. ENERGY: 83300 617.4966 1880.6628 2024.6386 116.5868 -12.5533 -1051.6328 177.3569 0.0000 2728.5192 6481.0748 301.3726 3752.5555 6515.9141 299.2685 PRESSURE: 83400 0 0 0 0 0 0 0 0 0 GPRESSURE: 83400 0 0 0 0 0 0 0 0 0 PRESSAVG: 83400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83400 0 0 0 0 0 0 0 0 0 TIMING: 83400 CPU: 332.326, 0.00397248/step Wall: 332.326, 0.00397248/step, 0.459704 hours remaining, 109.511719 MB of memory in use. ENERGY: 83400 639.1302 1869.2974 2021.3546 103.0951 -14.7041 -1019.9902 156.6951 0.0000 2766.0393 6520.9174 305.5167 3754.8781 6556.1631 300.5248 PRESSURE: 83500 0 0 0 0 0 0 0 0 0 GPRESSURE: 83500 0 0 0 0 0 0 0 0 0 PRESSAVG: 83500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83500 0 0 0 0 0 0 0 0 0 TIMING: 83500 CPU: 332.724, 0.00398233/step Wall: 332.724, 0.00398233/step, 0.460734 hours remaining, 109.511719 MB of memory in use. ENERGY: 83500 632.7383 1915.7999 2026.0522 104.5215 -14.3822 -1014.6563 153.9672 0.0000 2748.3830 6552.4235 303.5666 3804.0405 6586.7085 302.5953 PRESSURE: 83600 0 0 0 0 0 0 0 0 0 GPRESSURE: 83600 0 0 0 0 0 0 0 0 0 PRESSAVG: 83600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83600 0 0 0 0 0 0 0 0 0 TIMING: 83600 CPU: 333.121, 0.00397166/step Wall: 333.121, 0.00397166/step, 0.459389 hours remaining, 109.511719 MB of memory in use. ENERGY: 83600 666.0577 1951.4391 2025.5008 108.1590 -13.5929 -1025.6130 171.2055 0.0000 2664.3241 6547.4803 294.2820 3883.1562 6581.5965 304.3540 PRESSURE: 83700 0 0 0 0 0 0 0 0 0 GPRESSURE: 83700 0 0 0 0 0 0 0 0 0 PRESSAVG: 83700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83700 0 0 0 0 0 0 0 0 0 TIMING: 83700 CPU: 333.519, 0.00398343/step Wall: 333.519, 0.00398343/step, 0.460639 hours remaining, 109.511719 MB of memory in use. ENERGY: 83700 659.4240 1840.4384 2008.9408 106.6058 -12.8453 -1017.5610 151.1422 0.0000 2799.0839 6535.2288 309.1666 3736.1449 6570.4285 302.3953 PRESSURE: 83800 0 0 0 0 0 0 0 0 0 GPRESSURE: 83800 0 0 0 0 0 0 0 0 0 PRESSAVG: 83800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83800 0 0 0 0 0 0 0 0 0 TIMING: 83800 CPU: 333.917, 0.00397261/step Wall: 333.917, 0.00397261/step, 0.459278 hours remaining, 109.511719 MB of memory in use. ENERGY: 83800 690.5976 1898.5084 2014.0274 108.6253 -14.4562 -1034.1958 153.6825 0.0000 2759.3537 6576.1430 304.7783 3816.7893 6610.1619 303.2396 PRESSURE: 83900 0 0 0 0 0 0 0 0 0 GPRESSURE: 83900 0 0 0 0 0 0 0 0 0 PRESSAVG: 83900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 83900 0 0 0 0 0 0 0 0 0 TIMING: 83900 CPU: 334.314, 0.00397343/step Wall: 334.314, 0.00397343/step, 0.459262 hours remaining, 109.511719 MB of memory in use. ENERGY: 83900 658.4401 1968.7511 2019.0535 109.2784 -14.9655 -1044.6247 164.8641 0.0000 2733.2616 6594.0586 301.8964 3860.7970 6629.8348 305.6497 PRESSURE: 84000 0 0 0 0 0 0 0 0 0 GPRESSURE: 84000 0 0 0 0 0 0 0 0 0 PRESSAVG: 84000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84000 0 0 0 0 0 0 0 0 0 TIMING: 84000 CPU: 334.712, 0.00398112/step Wall: 334.712, 0.00398112/step, 0.460041 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 84000 660.0936 1893.3846 2020.8721 116.3078 -13.3203 -1052.3527 164.9889 0.0000 2796.5673 6586.5412 308.8886 3789.9739 6620.0293 306.3296 PRESSURE: 84100 0 0 0 0 0 0 0 0 0 GPRESSURE: 84100 0 0 0 0 0 0 0 0 0 PRESSAVG: 84100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84100 0 0 0 0 0 0 0 0 0 TIMING: 84100 CPU: 335.109, 0.00397277/step Wall: 335.109, 0.00397277/step, 0.458965 hours remaining, 109.511719 MB of memory in use. ENERGY: 84100 649.0340 1943.6281 2057.3785 110.6056 -14.1538 -1040.3059 169.2941 0.0000 2717.5664 6593.0472 300.1628 3875.4808 6627.2333 305.4954 PRESSURE: 84200 0 0 0 0 0 0 0 0 0 GPRESSURE: 84200 0 0 0 0 0 0 0 0 0 PRESSAVG: 84200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84200 0 0 0 0 0 0 0 0 0 TIMING: 84200 CPU: 335.508, 0.00398363/step Wall: 335.508, 0.00398363/step, 0.460109 hours remaining, 109.511719 MB of memory in use. ENERGY: 84200 659.0592 1977.8508 2022.9719 113.4854 -14.6385 -1074.5632 162.0767 0.0000 2723.5744 6569.8166 300.8264 3846.2421 6603.0404 307.3148 LDB: ============= START OF LOAD BALANCING ============== 338.283 LDB: ============== END OF LOAD BALANCING =============== 338.283 LDB: =============== DONE WITH MIGRATION ================ 338.283 PRESSURE: 84300 0 0 0 0 0 0 0 0 0 GPRESSURE: 84300 0 0 0 0 0 0 0 0 0 PRESSAVG: 84300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84300 0 0 0 0 0 0 0 0 0 TIMING: 84300 CPU: 335.905, 0.00397554/step Wall: 335.905, 0.00397554/step, 0.459064 hours remaining, 109.511719 MB of memory in use. ENERGY: 84300 646.4581 1907.0899 2030.6583 116.8677 -14.0999 -1062.3912 163.4662 0.0000 2766.7216 6554.7707 305.5921 3788.0491 6590.9342 302.3259 LDB: ============= START OF LOAD BALANCING ============== 338.681 LDB: ============== END OF LOAD BALANCING =============== 338.681 LDB: =============== DONE WITH MIGRATION ================ 338.681 PRESSURE: 84400 0 0 0 0 0 0 0 0 0 GPRESSURE: 84400 0 0 0 0 0 0 0 0 0 PRESSAVG: 84400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84400 0 0 0 0 0 0 0 0 0 TIMING: 84400 CPU: 336.303, 0.00397888/step Wall: 336.303, 0.00397888/step, 0.45934 hours remaining, 109.511719 MB of memory in use. ENERGY: 84400 690.9547 1893.5054 2009.6570 118.1763 -15.0006 -1027.3953 162.2251 0.0000 2752.8684 6584.9910 304.0620 3832.1226 6617.8538 304.3549 PRESSURE: 84500 0 0 0 0 0 0 0 0 0 GPRESSURE: 84500 0 0 0 0 0 0 0 0 0 PRESSAVG: 84500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84500 0 0 0 0 0 0 0 0 0 TIMING: 84500 CPU: 336.702, 0.00398689/step Wall: 336.702, 0.00398689/step, 0.460154 hours remaining, 109.511719 MB of memory in use. ENERGY: 84500 659.6596 1946.3426 2027.4468 102.2488 -12.3506 -1060.9075 164.2641 0.0000 2765.5257 6592.2295 305.4600 3826.7038 6625.7455 305.6903 PRESSURE: 84600 0 0 0 0 0 0 0 0 0 GPRESSURE: 84600 0 0 0 0 0 0 0 0 0 PRESSAVG: 84600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84600 0 0 0 0 0 0 0 0 0 TIMING: 84600 CPU: 337.099, 0.00397254/step Wall: 337.099, 0.00397254/step, 0.458387 hours remaining, 109.511719 MB of memory in use. ENERGY: 84600 661.9427 1924.0660 2044.4110 110.6622 -14.2071 -1031.6285 174.0603 0.0000 2701.3029 6570.6094 298.3664 3869.3065 6601.7930 304.5368 PRESSURE: 84700 0 0 0 0 0 0 0 0 0 GPRESSURE: 84700 0 0 0 0 0 0 0 0 0 PRESSAVG: 84700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84700 0 0 0 0 0 0 0 0 0 TIMING: 84700 CPU: 337.497, 0.00398266/step Wall: 337.497, 0.00398266/step, 0.459444 hours remaining, 109.511719 MB of memory in use. ENERGY: 84700 681.4840 1946.8750 2027.9312 91.6520 -13.8941 -1056.3478 161.3195 0.0000 2745.5047 6584.5244 303.2486 3839.0198 6617.4186 304.8537 PRESSURE: 84800 0 0 0 0 0 0 0 0 0 GPRESSURE: 84800 0 0 0 0 0 0 0 0 0 PRESSAVG: 84800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84800 0 0 0 0 0 0 0 0 0 TIMING: 84800 CPU: 337.895, 0.00397472/step Wall: 337.895, 0.00397472/step, 0.458418 hours remaining, 109.511719 MB of memory in use. ENERGY: 84800 670.5459 1942.3431 2000.7291 117.9397 -14.4159 -1048.4571 188.7725 0.0000 2714.6965 6572.1537 299.8458 3857.4572 6604.1212 305.2029 PRESSURE: 84900 0 0 0 0 0 0 0 0 0 GPRESSURE: 84900 0 0 0 0 0 0 0 0 0 PRESSAVG: 84900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 84900 0 0 0 0 0 0 0 0 0 TIMING: 84900 CPU: 338.292, 0.00397292/step Wall: 338.292, 0.00397292/step, 0.4581 hours remaining, 109.511719 MB of memory in use. ENERGY: 84900 652.3360 1922.2532 2034.8338 111.5048 -13.8959 -1020.7764 164.0677 0.0000 2708.2751 6558.5983 299.1365 3850.3232 6592.9711 302.5647 PRESSURE: 85000 0 0 0 0 0 0 0 0 0 GPRESSURE: 85000 0 0 0 0 0 0 0 0 0 PRESSAVG: 85000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85000 0 0 0 0 0 0 0 0 0 TIMING: 85000 CPU: 338.69, 0.00398215/step Wall: 338.69, 0.00398215/step, 0.459053 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 85000 666.8309 1881.2762 2012.0625 103.8108 -13.8700 -1007.7730 174.4882 0.0000 2792.8692 6609.6949 308.4802 3816.8257 6644.2867 304.5398 PRESSURE: 85100 0 0 0 0 0 0 0 0 0 GPRESSURE: 85100 0 0 0 0 0 0 0 0 0 PRESSAVG: 85100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85100 0 0 0 0 0 0 0 0 0 TIMING: 85100 CPU: 339.088, 0.00397233/step Wall: 339.088, 0.00397233/step, 0.457811 hours remaining, 109.511719 MB of memory in use. ENERGY: 85100 672.3769 1941.8597 2025.7042 113.1852 -14.3121 -1079.7468 176.2496 0.0000 2776.3397 6611.6565 306.6545 3835.3168 6645.4365 306.8088 PRESSURE: 85200 0 0 0 0 0 0 0 0 0 GPRESSURE: 85200 0 0 0 0 0 0 0 0 0 PRESSAVG: 85200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85200 0 0 0 0 0 0 0 0 0 TIMING: 85200 CPU: 339.486, 0.0039834/step Wall: 339.486, 0.0039834/step, 0.458976 hours remaining, 109.511719 MB of memory in use. ENERGY: 85200 680.5076 1938.1872 2029.8905 108.5281 -14.2695 -1085.7203 171.0160 0.0000 2801.4920 6629.6318 309.4326 3828.1398 6667.0211 308.4449 PRESSURE: 85300 0 0 0 0 0 0 0 0 0 GPRESSURE: 85300 0 0 0 0 0 0 0 0 0 PRESSAVG: 85300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85300 0 0 0 0 0 0 0 0 0 TIMING: 85300 CPU: 339.883, 0.00397458/step Wall: 339.883, 0.00397458/step, 0.45785 hours remaining, 109.511719 MB of memory in use. ENERGY: 85300 662.6091 1898.0148 2031.3631 118.0827 -14.8351 -1031.0290 166.3547 0.0000 2789.7495 6620.3099 308.1356 3830.5604 6656.7343 307.7495 PRESSURE: 85400 0 0 0 0 0 0 0 0 0 GPRESSURE: 85400 0 0 0 0 0 0 0 0 0 PRESSAVG: 85400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85400 0 0 0 0 0 0 0 0 0 TIMING: 85400 CPU: 340.281, 0.00397255/step Wall: 340.281, 0.00397255/step, 0.457505 hours remaining, 109.511719 MB of memory in use. ENERGY: 85400 655.6566 1890.5708 2034.0058 107.6265 -14.3951 -1035.3570 157.3267 0.0000 2805.8352 6601.2695 309.9123 3795.4343 6633.8290 305.2902 PRESSURE: 85500 0 0 0 0 0 0 0 0 0 GPRESSURE: 85500 0 0 0 0 0 0 0 0 0 PRESSAVG: 85500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85500 0 0 0 0 0 0 0 0 0 TIMING: 85500 CPU: 340.679, 0.00398191/step Wall: 340.679, 0.00398191/step, 0.458473 hours remaining, 109.511719 MB of memory in use. ENERGY: 85500 668.1841 1900.2784 2034.6568 101.8957 -14.2703 -1045.1358 162.2836 0.0000 2808.1976 6616.0900 310.1732 3807.8924 6650.5714 305.6294 PRESSURE: 85600 0 0 0 0 0 0 0 0 0 GPRESSURE: 85600 0 0 0 0 0 0 0 0 0 PRESSAVG: 85600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85600 0 0 0 0 0 0 0 0 0 TIMING: 85600 CPU: 341.076, 0.00397117/step Wall: 341.076, 0.00397117/step, 0.457126 hours remaining, 109.511719 MB of memory in use. ENERGY: 85600 672.7426 1937.8811 2026.1871 106.5757 -13.7073 -1015.5249 161.4725 0.0000 2757.0360 6632.6627 304.5223 3875.6267 6666.5204 307.9618 PRESSURE: 85700 0 0 0 0 0 0 0 0 0 GPRESSURE: 85700 0 0 0 0 0 0 0 0 0 PRESSAVG: 85700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85700 0 0 0 0 0 0 0 0 0 TIMING: 85700 CPU: 341.474, 0.00398361/step Wall: 341.474, 0.00398361/step, 0.458447 hours remaining, 109.511719 MB of memory in use. ENERGY: 85700 660.8843 1970.1743 2015.9133 108.6690 -13.2637 -1056.9568 164.3113 0.0000 2790.4838 6640.2154 308.2167 3849.7316 6673.6837 308.0748 PRESSURE: 85800 0 0 0 0 0 0 0 0 0 GPRESSURE: 85800 0 0 0 0 0 0 0 0 0 PRESSAVG: 85800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85800 0 0 0 0 0 0 0 0 0 TIMING: 85800 CPU: 341.872, 0.0039757/step Wall: 341.872, 0.0039757/step, 0.457427 hours remaining, 109.511719 MB of memory in use. ENERGY: 85800 680.3176 1946.4277 2004.3077 100.7176 -15.0890 -1026.9017 150.9310 0.0000 2815.0663 6655.7771 310.9319 3840.7108 6693.2527 308.9367 PRESSURE: 85900 0 0 0 0 0 0 0 0 0 GPRESSURE: 85900 0 0 0 0 0 0 0 0 0 PRESSAVG: 85900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 85900 0 0 0 0 0 0 0 0 0 TIMING: 85900 CPU: 342.269, 0.00397322/step Wall: 342.269, 0.00397322/step, 0.457031 hours remaining, 109.511719 MB of memory in use. ENERGY: 85900 677.8959 1940.9260 2028.3140 110.4026 -15.1678 -1058.5235 165.7220 0.0000 2829.4476 6679.0168 312.5204 3849.5693 6716.4765 309.7330 PRESSURE: 86000 0 0 0 0 0 0 0 0 0 GPRESSURE: 86000 0 0 0 0 0 0 0 0 0 PRESSAVG: 86000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86000 0 0 0 0 0 0 0 0 0 TIMING: 86000 CPU: 342.667, 0.00398127/step Wall: 342.667, 0.00398127/step, 0.457846 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 86000 683.6791 1923.2969 2009.6277 116.0083 -15.5530 -1035.8195 161.2920 0.0000 2823.0578 6665.5893 311.8146 3842.5315 6701.6814 310.7399 PRESSURE: 86100 0 0 0 0 0 0 0 0 0 GPRESSURE: 86100 0 0 0 0 0 0 0 0 0 PRESSAVG: 86100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86100 0 0 0 0 0 0 0 0 0 TIMING: 86100 CPU: 343.065, 0.00397372/step Wall: 343.065, 0.00397372/step, 0.456867 hours remaining, 109.511719 MB of memory in use. ENERGY: 86100 706.1344 1921.4987 2023.6576 104.4153 -14.0050 -1060.6095 162.4475 0.0000 2789.9883 6633.5274 308.1620 3843.5391 6670.3716 310.3369 PRESSURE: 86200 0 0 0 0 0 0 0 0 0 GPRESSURE: 86200 0 0 0 0 0 0 0 0 0 PRESSAVG: 86200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86200 0 0 0 0 0 0 0 0 0 TIMING: 86200 CPU: 343.463, 0.00398624/step Wall: 343.463, 0.00398624/step, 0.458196 hours remaining, 109.511719 MB of memory in use. ENERGY: 86200 661.2300 1943.7751 2041.3026 101.9875 -13.1346 -1041.8125 175.6750 0.0000 2774.5629 6643.5862 306.4582 3869.0232 6681.6461 308.1057 PRESSURE: 86300 0 0 0 0 0 0 0 0 0 GPRESSURE: 86300 0 0 0 0 0 0 0 0 0 PRESSAVG: 86300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86300 0 0 0 0 0 0 0 0 0 TIMING: 86300 CPU: 343.861, 0.00397249/step Wall: 343.861, 0.00397249/step, 0.456505 hours remaining, 109.511719 MB of memory in use. ENERGY: 86300 702.4951 1947.7169 2022.6103 103.0033 -13.4950 -1034.7888 156.0772 0.0000 2738.7464 6622.3656 302.5022 3883.6192 6654.4660 306.1020 PRESSURE: 86400 0 0 0 0 0 0 0 0 0 GPRESSURE: 86400 0 0 0 0 0 0 0 0 0 PRESSAVG: 86400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86400 0 0 0 0 0 0 0 0 0 TIMING: 86400 CPU: 344.258, 0.00397281/step Wall: 344.258, 0.00397281/step, 0.456432 hours remaining, 109.511719 MB of memory in use. ENERGY: 86400 683.8550 1917.1264 2022.2578 108.7065 -12.7895 -1025.7622 172.9280 0.0000 2795.4880 6661.8100 308.7694 3866.3220 6695.6633 308.8311 PRESSURE: 86500 0 0 0 0 0 0 0 0 0 GPRESSURE: 86500 0 0 0 0 0 0 0 0 0 PRESSAVG: 86500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86500 0 0 0 0 0 0 0 0 0 TIMING: 86500 CPU: 344.656, 0.00398214/step Wall: 344.656, 0.00398214/step, 0.457393 hours remaining, 109.511719 MB of memory in use. ENERGY: 86500 684.2102 1917.1338 2024.5446 112.1631 -13.6679 -1001.2966 147.2980 0.0000 2766.3457 6636.7309 305.5506 3870.3852 6670.7816 309.0680 PRESSURE: 86600 0 0 0 0 0 0 0 0 0 GPRESSURE: 86600 0 0 0 0 0 0 0 0 0 PRESSAVG: 86600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86600 0 0 0 0 0 0 0 0 0 TIMING: 86600 CPU: 345.053, 0.00397251/step Wall: 345.053, 0.00397251/step, 0.456176 hours remaining, 109.511719 MB of memory in use. ENERGY: 86600 684.6438 1931.5083 2025.9603 105.9734 -14.0986 -1047.2055 178.4665 0.0000 2748.8132 6614.0613 303.6141 3865.2481 6650.0499 306.5797 PRESSURE: 86700 0 0 0 0 0 0 0 0 0 GPRESSURE: 86700 0 0 0 0 0 0 0 0 0 PRESSAVG: 86700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86700 0 0 0 0 0 0 0 0 0 TIMING: 86700 CPU: 345.451, 0.0039726/step Wall: 345.451, 0.0039726/step, 0.456076 hours remaining, 109.511719 MB of memory in use. ENERGY: 86700 657.0559 1873.5000 2023.8094 112.6696 -13.6749 -1060.4622 167.0018 0.0000 2830.4270 6590.3266 312.6286 3759.8996 6623.9285 306.6788 PRESSURE: 86800 0 0 0 0 0 0 0 0 0 GPRESSURE: 86800 0 0 0 0 0 0 0 0 0 PRESSAVG: 86800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86800 0 0 0 0 0 0 0 0 0 TIMING: 86800 CPU: 345.849, 0.00398297/step Wall: 345.849, 0.00398297/step, 0.457157 hours remaining, 109.511719 MB of memory in use. ENERGY: 86800 658.8304 1899.7326 2028.7233 96.6489 -14.3051 -1037.5269 160.3251 0.0000 2785.9307 6578.3591 307.7138 3792.4284 6613.5097 306.1462 PRESSURE: 86900 0 0 0 0 0 0 0 0 0 GPRESSURE: 86900 0 0 0 0 0 0 0 0 0 PRESSAVG: 86900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 86900 0 0 0 0 0 0 0 0 0 TIMING: 86900 CPU: 346.246, 0.00397164/step Wall: 346.246, 0.00397164/step, 0.455746 hours remaining, 109.511719 MB of memory in use. ENERGY: 86900 664.8634 1937.2158 2014.4711 102.9854 -13.1975 -1061.2831 176.5178 0.0000 2757.7089 6579.2816 304.5966 3821.5727 6612.0443 305.2385 PRESSURE: 87000 0 0 0 0 0 0 0 0 0 GPRESSURE: 87000 0 0 0 0 0 0 0 0 0 PRESSAVG: 87000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87000 0 0 0 0 0 0 0 0 0 TIMING: 87000 CPU: 346.644, 0.00398257/step Wall: 346.644, 0.00398256/step, 0.456888 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 87000 657.6571 1883.7715 2035.9766 117.3136 -13.6372 -1014.7902 162.6852 0.0000 2770.8702 6599.8467 306.0503 3828.9765 6634.8615 305.4239 PRESSURE: 87100 0 0 0 0 0 0 0 0 0 GPRESSURE: 87100 0 0 0 0 0 0 0 0 0 PRESSAVG: 87100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87100 0 0 0 0 0 0 0 0 0 TIMING: 87100 CPU: 347.042, 0.00397405/step Wall: 347.042, 0.00397406/step, 0.455803 hours remaining, 109.511719 MB of memory in use. ENERGY: 87100 634.0105 1922.3678 2000.7919 103.3045 -13.5274 -1053.8694 173.6758 0.0000 2792.5632 6559.3169 308.4464 3766.7536 6591.8526 305.7371 PRESSURE: 87200 0 0 0 0 0 0 0 0 0 GPRESSURE: 87200 0 0 0 0 0 0 0 0 0 PRESSAVG: 87200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87200 0 0 0 0 0 0 0 0 0 TIMING: 87200 CPU: 347.439, 0.00397556/step Wall: 347.439, 0.00397556/step, 0.455864 hours remaining, 109.511719 MB of memory in use. ENERGY: 87200 660.2832 1883.9331 2010.2324 109.1692 -13.9470 -1047.4311 166.8794 0.0000 2761.8757 6530.9950 305.0569 3769.1193 6565.3401 303.4853 PRESSURE: 87300 0 0 0 0 0 0 0 0 0 GPRESSURE: 87300 0 0 0 0 0 0 0 0 0 PRESSAVG: 87300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87300 0 0 0 0 0 0 0 0 0 TIMING: 87300 CPU: 347.837, 0.00398008/step Wall: 347.837, 0.00398008/step, 0.456272 hours remaining, 109.511719 MB of memory in use. ENERGY: 87300 644.2427 1915.6855 2020.6415 115.7969 -14.5389 -1082.7170 155.8588 0.0000 2765.9924 6520.9620 305.5116 3754.9696 6554.6165 301.8754 PRESSURE: 87400 0 0 0 0 0 0 0 0 0 GPRESSURE: 87400 0 0 0 0 0 0 0 0 0 PRESSAVG: 87400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87400 0 0 0 0 0 0 0 0 0 TIMING: 87400 CPU: 348.235, 0.00397462/step Wall: 348.235, 0.00397462/step, 0.455536 hours remaining, 109.511719 MB of memory in use. ENERGY: 87400 682.8089 1881.3560 2040.0755 111.3222 -14.1263 -1055.0596 166.3169 0.0000 2732.7481 6545.4416 301.8396 3812.6935 6581.1212 302.8614 PRESSURE: 87500 0 0 0 0 0 0 0 0 0 GPRESSURE: 87500 0 0 0 0 0 0 0 0 0 PRESSAVG: 87500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87500 0 0 0 0 0 0 0 0 0 TIMING: 87500 CPU: 348.633, 0.0039825/step Wall: 348.633, 0.0039825/step, 0.456328 hours remaining, 109.511719 MB of memory in use. ENERGY: 87500 660.9642 1913.8781 2020.7199 100.3193 -12.4395 -1046.8474 166.6965 0.0000 2749.4144 6552.7055 303.6805 3803.2911 6587.7256 304.0524 PRESSURE: 87600 0 0 0 0 0 0 0 0 0 GPRESSURE: 87600 0 0 0 0 0 0 0 0 0 PRESSAVG: 87600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87600 0 0 0 0 0 0 0 0 0 TIMING: 87600 CPU: 349.03, 0.00397412/step Wall: 349.03, 0.00397412/step, 0.455258 hours remaining, 109.511719 MB of memory in use. ENERGY: 87600 674.8304 1841.3398 2024.4754 110.0811 -13.8361 -1022.8962 170.2636 0.0000 2761.4165 6545.6746 305.0061 3784.2581 6580.0626 303.7826 PRESSURE: 87700 0 0 0 0 0 0 0 0 0 GPRESSURE: 87700 0 0 0 0 0 0 0 0 0 PRESSAVG: 87700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87700 0 0 0 0 0 0 0 0 0 TIMING: 87700 CPU: 349.428, 0.00397311/step Wall: 349.428, 0.00397311/step, 0.455031 hours remaining, 109.511719 MB of memory in use. ENERGY: 87700 667.2419 1929.2450 2016.1413 109.4483 -13.7537 -1037.9380 152.3399 0.0000 2733.5420 6556.2666 301.9273 3822.7247 6589.2636 302.7159 PRESSURE: 87800 0 0 0 0 0 0 0 0 0 GPRESSURE: 87800 0 0 0 0 0 0 0 0 0 PRESSAVG: 87800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87800 0 0 0 0 0 0 0 0 0 TIMING: 87800 CPU: 349.826, 0.00398069/step Wall: 349.826, 0.00398069/step, 0.455789 hours remaining, 109.511719 MB of memory in use. ENERGY: 87800 664.7499 1917.5034 2023.6874 115.4244 -14.2517 -1073.9946 163.1945 0.0000 2745.2216 6541.5350 303.2174 3796.3134 6576.4452 303.9394 PRESSURE: 87900 0 0 0 0 0 0 0 0 0 GPRESSURE: 87900 0 0 0 0 0 0 0 0 0 PRESSAVG: 87900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 87900 0 0 0 0 0 0 0 0 0 TIMING: 87900 CPU: 350.223, 0.00397242/step Wall: 350.223, 0.00397242/step, 0.454732 hours remaining, 109.511719 MB of memory in use. ENERGY: 87900 649.2186 1922.6699 1997.0384 114.8505 -14.5009 -1026.7863 161.6082 0.0000 2760.2859 6564.3843 304.8813 3804.0985 6596.3883 304.4489 PRESSURE: 88000 0 0 0 0 0 0 0 0 0 GPRESSURE: 88000 0 0 0 0 0 0 0 0 0 PRESSAVG: 88000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88000 0 0 0 0 0 0 0 0 0 TIMING: 88000 CPU: 350.622, 0.00399208/step Wall: 350.622, 0.00399207/step, 0.45687 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 88000 649.6089 1905.8550 2012.9595 103.0071 -14.3796 -1025.3850 159.6003 0.0000 2757.2743 6548.5405 304.5486 3791.2662 6583.1575 304.5682 PRESSURE: 88100 0 0 0 0 0 0 0 0 0 GPRESSURE: 88100 0 0 0 0 0 0 0 0 0 PRESSAVG: 88100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88100 0 0 0 0 0 0 0 0 0 TIMING: 88100 CPU: 351.02, 0.00397345/step Wall: 351.02, 0.00397346/step, 0.45463 hours remaining, 109.511719 MB of memory in use. ENERGY: 88100 662.9507 1876.7850 1974.8274 92.7329 -14.2583 -993.4664 153.6776 0.0000 2760.3210 6513.5699 304.8851 3753.2489 6547.5605 302.3701 PRESSURE: 88200 0 0 0 0 0 0 0 0 0 GPRESSURE: 88200 0 0 0 0 0 0 0 0 0 PRESSAVG: 88200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88200 0 0 0 0 0 0 0 0 0 TIMING: 88200 CPU: 351.417, 0.00397592/step Wall: 351.417, 0.00397591/step, 0.4548 hours remaining, 109.511719 MB of memory in use. ENERGY: 88200 643.2428 1904.3911 2039.3612 96.1064 -13.9650 -1075.9097 176.1145 0.0000 2779.6888 6549.0302 307.0244 3769.3414 6584.1328 303.7077 LDB: ============= START OF LOAD BALANCING ============== 354.193 LDB: ============== END OF LOAD BALANCING =============== 354.193 LDB: =============== DONE WITH MIGRATION ================ 354.193 PRESSURE: 88300 0 0 0 0 0 0 0 0 0 GPRESSURE: 88300 0 0 0 0 0 0 0 0 0 PRESSAVG: 88300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88300 0 0 0 0 0 0 0 0 0 TIMING: 88300 CPU: 351.815, 0.00397901/step Wall: 351.815, 0.00397902/step, 0.455045 hours remaining, 109.511719 MB of memory in use. ENERGY: 88300 661.0584 1923.1928 2012.3894 104.8208 -14.9075 -1018.0413 165.6937 0.0000 2752.8751 6587.0814 304.0627 3834.2063 6621.6460 305.3575 LDB: ============= START OF LOAD BALANCING ============== 354.591 LDB: ============== END OF LOAD BALANCING =============== 354.591 LDB: =============== DONE WITH MIGRATION ================ 354.591 PRESSURE: 88400 0 0 0 0 0 0 0 0 0 GPRESSURE: 88400 0 0 0 0 0 0 0 0 0 PRESSAVG: 88400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88400 0 0 0 0 0 0 0 0 0 TIMING: 88400 CPU: 352.213, 0.00397913/step Wall: 352.213, 0.00397913/step, 0.454947 hours remaining, 109.511719 MB of memory in use. ENERGY: 88400 671.3385 1929.8732 2008.6133 101.1550 -14.1561 -1029.2167 152.1709 0.0000 2757.1951 6576.9731 304.5399 3819.7780 6611.0893 305.4270 PRESSURE: 88500 0 0 0 0 0 0 0 0 0 GPRESSURE: 88500 0 0 0 0 0 0 0 0 0 PRESSAVG: 88500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88500 0 0 0 0 0 0 0 0 0 TIMING: 88500 CPU: 352.611, 0.00397714/step Wall: 352.611, 0.00397714/step, 0.454609 hours remaining, 109.511719 MB of memory in use. ENERGY: 88500 674.6632 1854.8376 2036.8828 111.5125 -13.5720 -1034.4324 169.1936 0.0000 2769.5302 6568.6156 305.9023 3799.0854 6602.2372 304.7556 PRESSURE: 88600 0 0 0 0 0 0 0 0 0 GPRESSURE: 88600 0 0 0 0 0 0 0 0 0 PRESSAVG: 88600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88600 0 0 0 0 0 0 0 0 0 TIMING: 88600 CPU: 353.008, 0.00397332/step Wall: 353.008, 0.00397332/step, 0.454062 hours remaining, 109.511719 MB of memory in use. ENERGY: 88600 651.3658 1916.6824 2002.7910 113.2321 -13.9686 -1020.8682 158.7069 0.0000 2733.4718 6541.4132 301.9196 3807.9414 6574.9894 303.4870 PRESSURE: 88700 0 0 0 0 0 0 0 0 0 GPRESSURE: 88700 0 0 0 0 0 0 0 0 0 PRESSAVG: 88700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88700 0 0 0 0 0 0 0 0 0 TIMING: 88700 CPU: 353.406, 0.00397739/step Wall: 353.406, 0.00397739/step, 0.454417 hours remaining, 109.511719 MB of memory in use. ENERGY: 88700 656.3719 1927.2623 2022.4623 104.9892 -13.7353 -1048.3640 170.6918 0.0000 2749.8440 6569.5222 303.7279 3819.6782 6604.2847 303.6228 PRESSURE: 88800 0 0 0 0 0 0 0 0 0 GPRESSURE: 88800 0 0 0 0 0 0 0 0 0 PRESSAVG: 88800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88800 0 0 0 0 0 0 0 0 0 TIMING: 88800 CPU: 353.804, 0.00397852/step Wall: 353.804, 0.00397852/step, 0.454435 hours remaining, 109.511719 MB of memory in use. ENERGY: 88800 691.1290 1887.6430 2014.1598 102.5408 -14.2654 -1020.9491 183.7826 0.0000 2755.4996 6599.5402 304.3526 3844.0406 6631.5685 304.6156 PRESSURE: 88900 0 0 0 0 0 0 0 0 0 GPRESSURE: 88900 0 0 0 0 0 0 0 0 0 PRESSAVG: 88900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 88900 0 0 0 0 0 0 0 0 0 TIMING: 88900 CPU: 354.201, 0.00397467/step Wall: 354.201, 0.00397467/step, 0.453885 hours remaining, 109.511719 MB of memory in use. ENERGY: 88900 641.7059 1931.6498 2022.1413 104.3697 -13.7629 -988.8053 161.3916 0.0000 2693.8853 6552.5755 297.5471 3858.6901 6585.4912 304.6970 PRESSURE: 89000 0 0 0 0 0 0 0 0 0 GPRESSURE: 89000 0 0 0 0 0 0 0 0 0 PRESSAVG: 89000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89000 0 0 0 0 0 0 0 0 0 TIMING: 89000 CPU: 354.599, 0.00398341/step Wall: 354.599, 0.00398341/step, 0.454773 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 89000 661.5300 1908.9080 2028.9076 106.2883 -13.8439 -1066.0322 169.8874 0.0000 2786.1600 6581.8051 307.7391 3795.6451 6617.2072 305.6361 PRESSURE: 89100 0 0 0 0 0 0 0 0 0 GPRESSURE: 89100 0 0 0 0 0 0 0 0 0 PRESSAVG: 89100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89100 0 0 0 0 0 0 0 0 0 TIMING: 89100 CPU: 354.997, 0.00397381/step Wall: 354.997, 0.00397381/step, 0.453566 hours remaining, 109.511719 MB of memory in use. ENERGY: 89100 657.3658 1896.9115 2003.3376 98.9078 -13.5651 -1021.1174 146.6877 0.0000 2788.1886 6556.7164 307.9632 3768.5278 6590.7322 305.6598 PRESSURE: 89200 0 0 0 0 0 0 0 0 0 GPRESSURE: 89200 0 0 0 0 0 0 0 0 0 PRESSAVG: 89200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89200 0 0 0 0 0 0 0 0 0 TIMING: 89200 CPU: 355.394, 0.00397522/step Wall: 355.394, 0.00397521/step, 0.453615 hours remaining, 109.511719 MB of memory in use. ENERGY: 89200 637.2224 1896.5099 2020.3363 102.6729 -14.1222 -1047.9112 167.9339 0.0000 2733.5669 6496.2090 301.9301 3762.6421 6531.0733 301.7602 PRESSURE: 89300 0 0 0 0 0 0 0 0 0 GPRESSURE: 89300 0 0 0 0 0 0 0 0 0 PRESSAVG: 89300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89300 0 0 0 0 0 0 0 0 0 TIMING: 89300 CPU: 355.792, 0.00398117/step Wall: 355.792, 0.00398118/step, 0.454186 hours remaining, 109.511719 MB of memory in use. ENERGY: 89300 641.0499 1926.4454 2004.0535 97.9674 -14.9729 -984.5093 162.7472 0.0000 2660.1930 6492.9741 293.8257 3832.7812 6522.5595 301.1861 PRESSURE: 89400 0 0 0 0 0 0 0 0 0 GPRESSURE: 89400 0 0 0 0 0 0 0 0 0 PRESSAVG: 89400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89400 0 0 0 0 0 0 0 0 0 TIMING: 89400 CPU: 356.19, 0.00397182/step Wall: 356.19, 0.00397182/step, 0.453008 hours remaining, 109.511719 MB of memory in use. ENERGY: 89400 681.1812 1886.9738 2018.7093 95.3786 -14.9323 -1054.5172 152.5396 0.0000 2736.3443 6501.6772 302.2368 3765.3329 6536.1093 300.8974 PRESSURE: 89500 0 0 0 0 0 0 0 0 0 GPRESSURE: 89500 0 0 0 0 0 0 0 0 0 PRESSAVG: 89500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89500 0 0 0 0 0 0 0 0 0 TIMING: 89500 CPU: 356.588, 0.00398647/step Wall: 356.588, 0.00398647/step, 0.454568 hours remaining, 109.511719 MB of memory in use. ENERGY: 89500 652.7057 1860.3301 2016.1824 106.7860 -14.2858 -1024.1569 154.8950 0.0000 2754.3529 6506.8094 304.2260 3752.4565 6540.0101 301.7581 PRESSURE: 89600 0 0 0 0 0 0 0 0 0 GPRESSURE: 89600 0 0 0 0 0 0 0 0 0 PRESSAVG: 89600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89600 0 0 0 0 0 0 0 0 0 TIMING: 89600 CPU: 356.986, 0.00397292/step Wall: 356.986, 0.00397292/step, 0.452913 hours remaining, 109.511719 MB of memory in use. ENERGY: 89600 677.0025 1911.9991 2017.7628 97.1898 -14.1635 -1055.3284 147.6070 0.0000 2680.9277 6462.9971 296.1159 3782.0694 6496.3847 302.6069 PRESSURE: 89700 0 0 0 0 0 0 0 0 0 GPRESSURE: 89700 0 0 0 0 0 0 0 0 0 PRESSAVG: 89700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89700 0 0 0 0 0 0 0 0 0 TIMING: 89700 CPU: 357.383, 0.00397385/step Wall: 357.383, 0.00397385/step, 0.452908 hours remaining, 109.511719 MB of memory in use. ENERGY: 89700 690.9403 1932.4070 1986.0759 95.5973 -14.4200 -1053.7110 155.8303 0.0000 2684.8967 6477.6165 296.5543 3792.7198 6507.2645 298.8386 PRESSURE: 89800 0 0 0 0 0 0 0 0 0 GPRESSURE: 89800 0 0 0 0 0 0 0 0 0 PRESSAVG: 89800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89800 0 0 0 0 0 0 0 0 0 TIMING: 89800 CPU: 357.781, 0.0039818/step Wall: 357.781, 0.0039818/step, 0.453704 hours remaining, 109.511719 MB of memory in use. ENERGY: 89800 698.3088 1898.5755 2005.1356 95.4267 -14.1243 -1068.8450 175.4755 0.0000 2708.4046 6498.3573 299.1508 3789.9526 6528.7890 299.0497 PRESSURE: 89900 0 0 0 0 0 0 0 0 0 GPRESSURE: 89900 0 0 0 0 0 0 0 0 0 PRESSAVG: 89900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 89900 0 0 0 0 0 0 0 0 0 TIMING: 89900 CPU: 358.178, 0.00397289/step Wall: 358.178, 0.00397289/step, 0.452578 hours remaining, 109.511719 MB of memory in use. ENERGY: 89900 647.4208 1891.4914 2009.5212 98.3788 -14.4271 -1034.6413 157.1451 0.0000 2748.3118 6503.2007 303.5587 3754.8889 6537.8692 301.6736 PRESSURE: 90000 0 0 0 0 0 0 0 0 0 GPRESSURE: 90000 0 0 0 0 0 0 0 0 0 PRESSAVG: 90000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90000 0 0 0 0 0 0 0 0 0 TIMING: 90000 CPU: 358.577, 0.00398261/step Wall: 358.577, 0.00398261/step, 0.453575 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 90000 668.0065 1899.6337 2010.1155 103.9346 -14.1293 -1071.5209 177.6843 0.0000 2734.8028 6508.5270 302.0666 3773.7243 6542.2935 301.4719 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 90000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 90000 WRITING COORDINATES TO RESTART FILE AT STEP 90000 FINISHED WRITING RESTART COORDINATES The last position output (seq=90000) takes 0.024 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 90000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 90100 0 0 0 0 0 0 0 0 0 GPRESSURE: 90100 0 0 0 0 0 0 0 0 0 PRESSAVG: 90100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90100 0 0 0 0 0 0 0 0 0 TIMING: 90100 CPU: 359.44, 0.00863012/step Wall: 359.44, 0.00863011/step, 0.982634 hours remaining, 109.511719 MB of memory in use. ENERGY: 90100 700.4304 1884.3454 2024.9431 104.6266 -13.3654 -1031.9364 174.1324 0.0000 2679.0976 6522.2738 295.9138 3843.1761 6552.8389 302.3463 PRESSURE: 90200 0 0 0 0 0 0 0 0 0 GPRESSURE: 90200 0 0 0 0 0 0 0 0 0 PRESSAVG: 90200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90200 0 0 0 0 0 0 0 0 0 TIMING: 90200 CPU: 359.838, 0.00398294/step Wall: 359.838, 0.00398294/step, 0.453391 hours remaining, 109.511719 MB of memory in use. ENERGY: 90200 671.8928 1883.3059 1996.5456 101.3093 -14.1194 -998.6431 173.8425 0.0000 2692.9087 6507.0423 297.4393 3814.1336 6540.1059 302.1155 PRESSURE: 90300 0 0 0 0 0 0 0 0 0 GPRESSURE: 90300 0 0 0 0 0 0 0 0 0 PRESSAVG: 90300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90300 0 0 0 0 0 0 0 0 0 TIMING: 90300 CPU: 360.235, 0.00397388/step Wall: 360.235, 0.00397389/step, 0.452251 hours remaining, 109.511719 MB of memory in use. ENERGY: 90300 664.0065 1889.0586 1975.2678 105.3618 -15.3284 -1066.2960 159.8164 0.0000 2788.9581 6500.8448 308.0482 3711.8867 6536.7346 301.0721 PRESSURE: 90400 0 0 0 0 0 0 0 0 0 GPRESSURE: 90400 0 0 0 0 0 0 0 0 0 PRESSAVG: 90400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90400 0 0 0 0 0 0 0 0 0 TIMING: 90400 CPU: 360.634, 0.00398576/step Wall: 360.634, 0.00398576/step, 0.453491 hours remaining, 109.511719 MB of memory in use. ENERGY: 90400 679.9859 1884.5219 2002.0365 115.7032 -14.0604 -1035.0005 181.5471 0.0000 2685.1936 6499.9274 296.5871 3814.7338 6530.0311 301.3991 PRESSURE: 90500 0 0 0 0 0 0 0 0 0 GPRESSURE: 90500 0 0 0 0 0 0 0 0 0 PRESSAVG: 90500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90500 0 0 0 0 0 0 0 0 0 TIMING: 90500 CPU: 361.032, 0.00397559/step Wall: 361.032, 0.00397559/step, 0.452224 hours remaining, 109.511719 MB of memory in use. ENERGY: 90500 669.2902 1874.3522 1989.9579 92.9740 -13.9599 -1012.9356 169.9449 0.0000 2766.1406 6535.7643 305.5279 3769.6237 6568.9244 302.3460 PRESSURE: 90600 0 0 0 0 0 0 0 0 0 GPRESSURE: 90600 0 0 0 0 0 0 0 0 0 PRESSAVG: 90600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90600 0 0 0 0 0 0 0 0 0 TIMING: 90600 CPU: 361.429, 0.0039758/step Wall: 361.429, 0.0039758/step, 0.452137 hours remaining, 109.511719 MB of memory in use. ENERGY: 90600 649.2225 1895.7066 1996.5590 114.2842 -15.4966 -1043.5507 150.2281 0.0000 2749.6252 6496.5783 303.7038 3746.9531 6531.0882 301.2136 PRESSURE: 90700 0 0 0 0 0 0 0 0 0 GPRESSURE: 90700 0 0 0 0 0 0 0 0 0 PRESSAVG: 90700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90700 0 0 0 0 0 0 0 0 0 TIMING: 90700 CPU: 361.827, 0.00398342/step Wall: 361.827, 0.00398342/step, 0.452893 hours remaining, 109.511719 MB of memory in use. ENERGY: 90700 675.3701 1910.8843 1999.3322 121.7467 -14.9212 -1049.8861 168.5265 0.0000 2679.0880 6490.1405 295.9127 3811.0525 6521.6770 300.3515 PRESSURE: 90800 0 0 0 0 0 0 0 0 0 GPRESSURE: 90800 0 0 0 0 0 0 0 0 0 PRESSAVG: 90800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90800 0 0 0 0 0 0 0 0 0 TIMING: 90800 CPU: 362.225, 0.00397296/step Wall: 362.225, 0.00397296/step, 0.451593 hours remaining, 109.511719 MB of memory in use. ENERGY: 90800 651.7454 1906.2110 2024.1318 99.2881 -14.5903 -1045.0929 160.2330 0.0000 2705.0669 6486.9931 298.7822 3781.9261 6522.8665 300.3724 PRESSURE: 90900 0 0 0 0 0 0 0 0 0 GPRESSURE: 90900 0 0 0 0 0 0 0 0 0 PRESSAVG: 90900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 90900 0 0 0 0 0 0 0 0 0 TIMING: 90900 CPU: 362.623, 0.00398594/step Wall: 362.623, 0.00398594/step, 0.452958 hours remaining, 109.511719 MB of memory in use. ENERGY: 90900 686.6151 1905.8632 2032.1214 121.3411 -14.0550 -1053.8777 171.3162 0.0000 2696.3198 6545.6440 297.8160 3849.3242 6578.9529 301.1751 PRESSURE: 91000 0 0 0 0 0 0 0 0 0 GPRESSURE: 91000 0 0 0 0 0 0 0 0 0 PRESSAVG: 91000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91000 0 0 0 0 0 0 0 0 0 TIMING: 91000 CPU: 363.02, 0.00397062/step Wall: 363.02, 0.00397062/step, 0.451107 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 91000 692.1302 1894.7116 2011.2749 111.4302 -14.5198 -1014.4409 162.7563 0.0000 2712.0269 6555.3693 299.5509 3843.3425 6587.7526 303.0905 PRESSURE: 91100 0 0 0 0 0 0 0 0 0 GPRESSURE: 91100 0 0 0 0 0 0 0 0 0 PRESSAVG: 91100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91100 0 0 0 0 0 0 0 0 0 TIMING: 91100 CPU: 363.418, 0.00397757/step Wall: 363.418, 0.00397757/step, 0.451786 hours remaining, 109.511719 MB of memory in use. ENERGY: 91100 665.2956 1906.2256 2023.4843 111.5460 -13.9328 -1020.0519 169.3055 0.0000 2708.8846 6550.7569 299.2039 3841.8723 6584.5096 303.8708 PRESSURE: 91200 0 0 0 0 0 0 0 0 0 GPRESSURE: 91200 0 0 0 0 0 0 0 0 0 PRESSAVG: 91200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91200 0 0 0 0 0 0 0 0 0 TIMING: 91200 CPU: 363.817, 0.0039837/step Wall: 363.817, 0.0039837/step, 0.452371 hours remaining, 109.511719 MB of memory in use. ENERGY: 91200 656.3746 1895.8956 2009.4562 101.1350 -15.1354 -1045.5107 159.4605 0.0000 2719.5823 6481.2581 300.3854 3761.6758 6511.2559 302.1590 PRESSURE: 91300 0 0 0 0 0 0 0 0 0 GPRESSURE: 91300 0 0 0 0 0 0 0 0 0 PRESSAVG: 91300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91300 0 0 0 0 0 0 0 0 0 TIMING: 91300 CPU: 364.214, 0.00397186/step Wall: 364.214, 0.00397186/step, 0.450916 hours remaining, 109.511719 MB of memory in use. ENERGY: 91300 636.0499 1896.5500 1980.6203 99.3697 -14.4979 -981.2207 160.4484 0.0000 2691.3950 6468.7146 297.2721 3777.3196 6499.2364 299.2826 PRESSURE: 91400 0 0 0 0 0 0 0 0 0 GPRESSURE: 91400 0 0 0 0 0 0 0 0 0 PRESSAVG: 91400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91400 0 0 0 0 0 0 0 0 0 TIMING: 91400 CPU: 364.612, 0.00398417/step Wall: 364.612, 0.00398416/step, 0.452202 hours remaining, 109.511719 MB of memory in use. ENERGY: 91400 624.0625 1946.9284 1976.0333 99.6656 -14.7172 -1021.5971 149.2998 0.0000 2705.9737 6465.6491 298.8823 3759.6753 6497.1196 300.1121 PRESSURE: 91500 0 0 0 0 0 0 0 0 0 GPRESSURE: 91500 0 0 0 0 0 0 0 0 0 PRESSAVG: 91500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91500 0 0 0 0 0 0 0 0 0 TIMING: 91500 CPU: 365.009, 0.00397192/step Wall: 365.009, 0.00397192/step, 0.450703 hours remaining, 109.511719 MB of memory in use. ENERGY: 91500 644.8003 1901.7199 2012.3007 103.8574 -14.4052 -1034.0595 150.4786 0.0000 2677.3229 6442.0153 295.7178 3764.6924 6474.8285 298.4772 PRESSURE: 91600 0 0 0 0 0 0 0 0 0 GPRESSURE: 91600 0 0 0 0 0 0 0 0 0 PRESSAVG: 91600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91600 0 0 0 0 0 0 0 0 0 TIMING: 91600 CPU: 365.407, 0.00397558/step Wall: 365.407, 0.00397559/step, 0.451009 hours remaining, 109.511719 MB of memory in use. ENERGY: 91600 632.9468 1868.2810 1999.8088 100.3237 -13.5474 -1051.9034 162.8194 0.0000 2767.5162 6466.2452 305.6799 3698.7289 6500.7417 298.8617 PRESSURE: 91700 0 0 0 0 0 0 0 0 0 GPRESSURE: 91700 0 0 0 0 0 0 0 0 0 PRESSAVG: 91700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91700 0 0 0 0 0 0 0 0 0 TIMING: 91700 CPU: 365.805, 0.0039837/step Wall: 365.805, 0.0039837/step, 0.451818 hours remaining, 109.511719 MB of memory in use. ENERGY: 91700 605.8542 1881.2541 2003.9273 95.7400 -14.5227 -1027.3072 153.7177 0.0000 2769.7253 6468.3888 305.9239 3698.6634 6506.3148 299.8327 PRESSURE: 91800 0 0 0 0 0 0 0 0 0 GPRESSURE: 91800 0 0 0 0 0 0 0 0 0 PRESSAVG: 91800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91800 0 0 0 0 0 0 0 0 0 TIMING: 91800 CPU: 366.203, 0.00397274/step Wall: 366.203, 0.00397274/step, 0.450465 hours remaining, 109.511719 MB of memory in use. ENERGY: 91800 634.0046 1933.2086 2009.2088 106.4261 -13.0982 -1039.9497 181.0308 0.0000 2695.9493 6506.7803 297.7751 3810.8310 6537.5097 299.9879 PRESSURE: 91900 0 0 0 0 0 0 0 0 0 GPRESSURE: 91900 0 0 0 0 0 0 0 0 0 PRESSAVG: 91900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 91900 0 0 0 0 0 0 0 0 0 TIMING: 91900 CPU: 366.601, 0.00398419/step Wall: 366.601, 0.00398419/step, 0.451652 hours remaining, 109.511719 MB of memory in use. ENERGY: 91900 658.8033 1953.5132 2004.0293 93.2477 -14.8812 -1055.2996 164.2146 0.0000 2665.1193 6468.7466 294.3698 3803.6273 6499.4816 300.7251 PRESSURE: 92000 0 0 0 0 0 0 0 0 0 GPRESSURE: 92000 0 0 0 0 0 0 0 0 0 PRESSAVG: 92000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92000 0 0 0 0 0 0 0 0 0 TIMING: 92000 CPU: 366.998, 0.00397378/step Wall: 366.998, 0.00397378/step, 0.450362 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 92000 659.2869 1863.4953 2016.7642 86.3600 -13.6013 -1020.0703 168.1113 0.0000 2668.3347 6428.6810 294.7250 3760.3463 6461.2714 296.1432 PRESSURE: 92100 0 0 0 0 0 0 0 0 0 GPRESSURE: 92100 0 0 0 0 0 0 0 0 0 PRESSAVG: 92100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92100 0 0 0 0 0 0 0 0 0 TIMING: 92100 CPU: 367.396, 0.00397337/step Wall: 367.396, 0.00397337/step, 0.450205 hours remaining, 109.511719 MB of memory in use. ENERGY: 92100 626.7886 1845.1327 2015.9196 95.1038 -14.7368 -1021.5552 146.8068 0.0000 2753.7736 6447.2332 304.1620 3693.4596 6484.5100 297.6290 PRESSURE: 92200 0 0 0 0 0 0 0 0 0 GPRESSURE: 92200 0 0 0 0 0 0 0 0 0 PRESSAVG: 92200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92200 0 0 0 0 0 0 0 0 0 TIMING: 92200 CPU: 367.794, 0.00398407/step Wall: 367.794, 0.00398407/step, 0.451307 hours remaining, 109.511719 MB of memory in use. ENERGY: 92200 609.9751 1871.4209 2022.0175 102.2263 -14.7013 -1043.9920 166.7521 0.0000 2735.3094 6449.0079 302.1225 3713.6985 6484.4037 298.8645 LDB: ============= START OF LOAD BALANCING ============== 370.569 LDB: ============== END OF LOAD BALANCING =============== 370.569 LDB: =============== DONE WITH MIGRATION ================ 370.569 PRESSURE: 92300 0 0 0 0 0 0 0 0 0 GPRESSURE: 92300 0 0 0 0 0 0 0 0 0 PRESSAVG: 92300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92300 0 0 0 0 0 0 0 0 0 TIMING: 92300 CPU: 368.191, 0.00397402/step Wall: 368.191, 0.00397402/step, 0.450058 hours remaining, 109.511719 MB of memory in use. ENERGY: 92300 633.9549 1875.0571 2039.8887 100.5412 -15.1671 -1059.0473 169.8434 0.0000 2663.6463 6408.7170 294.2072 3745.0708 6439.3616 296.6442 LDB: ============= START OF LOAD BALANCING ============== 370.968 LDB: ============== END OF LOAD BALANCING =============== 370.968 LDB: =============== DONE WITH MIGRATION ================ 370.968 PRESSURE: 92400 0 0 0 0 0 0 0 0 0 GPRESSURE: 92400 0 0 0 0 0 0 0 0 0 PRESSAVG: 92400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92400 0 0 0 0 0 0 0 0 0 TIMING: 92400 CPU: 368.591, 0.00399189/step Wall: 368.591, 0.00399189/step, 0.451971 hours remaining, 109.511719 MB of memory in use. ENERGY: 92400 619.6417 1897.7489 2021.1955 109.7462 -14.4643 -1039.5159 169.4250 0.0000 2657.9908 6421.7679 293.5825 3763.7771 6454.1388 296.2056 PRESSURE: 92500 0 0 0 0 0 0 0 0 0 GPRESSURE: 92500 0 0 0 0 0 0 0 0 0 PRESSAVG: 92500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92500 0 0 0 0 0 0 0 0 0 TIMING: 92500 CPU: 368.988, 0.00397345/step Wall: 368.988, 0.00397344/step, 0.449771 hours remaining, 109.511719 MB of memory in use. ENERGY: 92500 649.0090 1862.1054 1995.8996 106.7032 -14.0245 -1026.6817 151.1006 0.0000 2679.1121 6403.2237 295.9154 3724.1115 6437.9304 297.7784 PRESSURE: 92600 0 0 0 0 0 0 0 0 0 GPRESSURE: 92600 0 0 0 0 0 0 0 0 0 PRESSAVG: 92600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92600 0 0 0 0 0 0 0 0 0 TIMING: 92600 CPU: 369.386, 0.00397685/step Wall: 369.386, 0.00397686/step, 0.450048 hours remaining, 109.511719 MB of memory in use. ENERGY: 92600 637.3351 1853.9474 1994.1193 97.7566 -13.2054 -1017.5660 174.0504 0.0000 2678.2210 6404.6585 295.8170 3726.4374 6436.2391 295.5901 PRESSURE: 92700 0 0 0 0 0 0 0 0 0 GPRESSURE: 92700 0 0 0 0 0 0 0 0 0 PRESSAVG: 92700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92700 0 0 0 0 0 0 0 0 0 TIMING: 92700 CPU: 369.784, 0.00398189/step Wall: 369.784, 0.00398189/step, 0.450507 hours remaining, 109.511719 MB of memory in use. ENERGY: 92700 604.0136 1848.0975 1996.6628 103.3580 -13.2578 -1023.2410 174.7701 0.0000 2720.8435 6411.2467 300.5247 3690.4032 6446.1141 295.3344 PRESSURE: 92800 0 0 0 0 0 0 0 0 0 GPRESSURE: 92800 0 0 0 0 0 0 0 0 0 PRESSAVG: 92800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92800 0 0 0 0 0 0 0 0 0 TIMING: 92800 CPU: 370.181, 0.00397286/step Wall: 370.181, 0.00397286/step, 0.449375 hours remaining, 109.511719 MB of memory in use. ENERGY: 92800 608.6779 1887.0578 2000.3594 100.7105 -13.6199 -1020.9159 158.6219 0.0000 2664.9413 6385.8330 294.3502 3720.8917 6421.2920 296.0566 PRESSURE: 92900 0 0 0 0 0 0 0 0 0 GPRESSURE: 92900 0 0 0 0 0 0 0 0 0 PRESSAVG: 92900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 92900 0 0 0 0 0 0 0 0 0 TIMING: 92900 CPU: 370.58, 0.00398531/step Wall: 370.58, 0.00398531/step, 0.450672 hours remaining, 109.511719 MB of memory in use. ENERGY: 92900 654.0236 1870.7028 2008.4212 97.9690 -12.7697 -1038.9132 149.8373 0.0000 2640.6026 6369.8736 291.6619 3729.2710 6405.0864 295.8011 PRESSURE: 93000 0 0 0 0 0 0 0 0 0 GPRESSURE: 93000 0 0 0 0 0 0 0 0 0 PRESSAVG: 93000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93000 0 0 0 0 0 0 0 0 0 TIMING: 93000 CPU: 370.978, 0.00397839/step Wall: 370.978, 0.00397839/step, 0.449779 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 93000 642.2856 1880.0793 2023.4214 104.2013 -13.6469 -1062.9113 164.4083 0.0000 2682.5017 6420.3394 296.2898 3737.8377 6454.6666 295.1012 PRESSURE: 93100 0 0 0 0 0 0 0 0 0 GPRESSURE: 93100 0 0 0 0 0 0 0 0 0 PRESSAVG: 93100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93100 0 0 0 0 0 0 0 0 0 TIMING: 93100 CPU: 371.375, 0.0039767/step Wall: 371.375, 0.0039767/step, 0.449478 hours remaining, 109.511719 MB of memory in use. ENERGY: 93100 629.2365 1940.2588 1991.0309 103.3378 -12.6913 -1031.8003 150.8146 0.0000 2662.0244 6432.2115 294.0280 3770.1870 6465.0326 297.4939 PRESSURE: 93200 0 0 0 0 0 0 0 0 0 GPRESSURE: 93200 0 0 0 0 0 0 0 0 0 PRESSAVG: 93200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93200 0 0 0 0 0 0 0 0 0 TIMING: 93200 CPU: 371.774, 0.00398534/step Wall: 371.774, 0.00398534/step, 0.450343 hours remaining, 109.511719 MB of memory in use. ENERGY: 93200 647.2247 1812.5336 2008.3602 92.9933 -13.7707 -1000.9567 162.7451 0.0000 2689.1566 6398.2861 297.0248 3709.1294 6432.7311 296.2948 PRESSURE: 93300 0 0 0 0 0 0 0 0 0 GPRESSURE: 93300 0 0 0 0 0 0 0 0 0 PRESSAVG: 93300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93300 0 0 0 0 0 0 0 0 0 TIMING: 93300 CPU: 372.172, 0.0039784/step Wall: 372.172, 0.0039784/step, 0.449449 hours remaining, 109.511719 MB of memory in use. ENERGY: 93300 683.2597 1897.1162 2023.2240 113.7916 -14.5568 -1042.3010 154.6413 0.0000 2620.8817 6436.0566 289.4837 3815.1749 6465.9673 296.5971 PRESSURE: 93400 0 0 0 0 0 0 0 0 0 GPRESSURE: 93400 0 0 0 0 0 0 0 0 0 PRESSAVG: 93400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93400 0 0 0 0 0 0 0 0 0 TIMING: 93400 CPU: 372.57, 0.00398519/step Wall: 372.57, 0.00398519/step, 0.450105 hours remaining, 109.511719 MB of memory in use. ENERGY: 93400 625.0591 1911.1682 2027.7462 113.9437 -14.3647 -1046.1000 166.0236 0.0000 2707.0197 6490.4959 298.9979 3783.4762 6525.0738 297.6537 PRESSURE: 93500 0 0 0 0 0 0 0 0 0 GPRESSURE: 93500 0 0 0 0 0 0 0 0 0 PRESSAVG: 93500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93500 0 0 0 0 0 0 0 0 0 TIMING: 93500 CPU: 372.967, 0.00396955/step Wall: 372.967, 0.00396955/step, 0.448228 hours remaining, 109.511719 MB of memory in use. ENERGY: 93500 704.9766 1902.5792 2045.5723 105.7699 -12.7078 -1065.6992 163.4447 0.0000 2679.4730 6523.4087 295.9553 3843.9357 6556.1528 300.1203 PRESSURE: 93600 0 0 0 0 0 0 0 0 0 GPRESSURE: 93600 0 0 0 0 0 0 0 0 0 PRESSAVG: 93600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93600 0 0 0 0 0 0 0 0 0 TIMING: 93600 CPU: 373.365, 0.00397421/step Wall: 373.365, 0.00397421/step, 0.448644 hours remaining, 109.511719 MB of memory in use. ENERGY: 93600 659.5236 1881.7349 2036.4130 99.1633 -12.9302 -1052.7580 169.1037 0.0000 2733.3335 6513.5837 301.9043 3780.2502 6548.2021 300.6716 PRESSURE: 93700 0 0 0 0 0 0 0 0 0 GPRESSURE: 93700 0 0 0 0 0 0 0 0 0 PRESSAVG: 93700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93700 0 0 0 0 0 0 0 0 0 TIMING: 93700 CPU: 373.763, 0.00398358/step Wall: 373.763, 0.00398358/step, 0.449591 hours remaining, 109.511719 MB of memory in use. ENERGY: 93700 607.1976 1923.0771 2007.8304 112.0590 -14.4270 -1023.2607 157.3227 0.0000 2716.5440 6486.3431 300.0499 3769.7991 6521.0601 299.5507 PRESSURE: 93800 0 0 0 0 0 0 0 0 0 GPRESSURE: 93800 0 0 0 0 0 0 0 0 0 PRESSAVG: 93800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93800 0 0 0 0 0 0 0 0 0 TIMING: 93800 CPU: 374.16, 0.0039723/step Wall: 374.16, 0.0039723/step, 0.448208 hours remaining, 109.511719 MB of memory in use. ENERGY: 93800 643.5025 1879.7197 2027.5887 96.9566 -14.2332 -1021.4568 167.9297 0.0000 2684.3657 6464.3728 296.4957 3780.0071 6496.6099 298.9765 PRESSURE: 93900 0 0 0 0 0 0 0 0 0 GPRESSURE: 93900 0 0 0 0 0 0 0 0 0 PRESSAVG: 93900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 93900 0 0 0 0 0 0 0 0 0 TIMING: 93900 CPU: 374.558, 0.00398159/step Wall: 374.558, 0.00398159/step, 0.449146 hours remaining, 109.511719 MB of memory in use. ENERGY: 93900 659.7365 1862.9737 2036.8321 104.3781 -13.6302 -1058.3761 163.6269 0.0000 2709.0496 6464.5905 299.2221 3755.5410 6497.3229 298.0624 PRESSURE: 94000 0 0 0 0 0 0 0 0 0 GPRESSURE: 94000 0 0 0 0 0 0 0 0 0 PRESSAVG: 94000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94000 0 0 0 0 0 0 0 0 0 TIMING: 94000 CPU: 374.955, 0.0039713/step Wall: 374.955, 0.0039713/step, 0.447874 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 94000 634.6468 1867.3296 2024.9009 114.1002 -14.0317 -1029.4207 171.6168 0.0000 2720.9586 6490.1005 300.5375 3769.1418 6523.6889 300.2793 PRESSURE: 94100 0 0 0 0 0 0 0 0 0 GPRESSURE: 94100 0 0 0 0 0 0 0 0 0 PRESSAVG: 94100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94100 0 0 0 0 0 0 0 0 0 TIMING: 94100 CPU: 375.353, 0.00397622/step Wall: 375.353, 0.00397622/step, 0.448319 hours remaining, 109.511719 MB of memory in use. ENERGY: 94100 663.3717 1885.9249 2004.3593 96.7659 -15.4166 -1055.6626 172.2722 0.0000 2758.3496 6509.9643 304.6674 3751.6147 6545.5547 300.6804 PRESSURE: 94200 0 0 0 0 0 0 0 0 0 GPRESSURE: 94200 0 0 0 0 0 0 0 0 0 PRESSAVG: 94200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94200 0 0 0 0 0 0 0 0 0 TIMING: 94200 CPU: 375.755, 0.00402033/step Wall: 375.755, 0.00402033/step, 0.453181 hours remaining, 109.511719 MB of memory in use. ENERGY: 94200 640.5940 1908.5057 1995.6067 108.0223 -14.3705 -1053.9100 157.5975 0.0000 2776.1497 6518.1954 306.6335 3742.0457 6550.4654 301.5178 PRESSURE: 94300 0 0 0 0 0 0 0 0 0 GPRESSURE: 94300 0 0 0 0 0 0 0 0 0 PRESSAVG: 94300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94300 0 0 0 0 0 0 0 0 0 TIMING: 94300 CPU: 376.153, 0.00398161/step Wall: 376.153, 0.00398161/step, 0.448705 hours remaining, 109.511719 MB of memory in use. ENERGY: 94300 666.5874 1897.7693 2016.4001 96.7042 -14.2744 -1041.9006 160.7912 0.0000 2730.2383 6512.3156 301.5624 3782.0773 6547.0397 302.0674 PRESSURE: 94400 0 0 0 0 0 0 0 0 0 GPRESSURE: 94400 0 0 0 0 0 0 0 0 0 PRESSAVG: 94400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94400 0 0 0 0 0 0 0 0 0 TIMING: 94400 CPU: 376.553, 0.00399342/step Wall: 376.553, 0.00399342/step, 0.449925 hours remaining, 109.511719 MB of memory in use. ENERGY: 94400 630.7123 1915.5431 2044.5020 121.8630 -13.8637 -1058.2972 157.9033 0.0000 2690.3439 6488.7068 297.1560 3798.3629 6522.1694 300.9073 PRESSURE: 94500 0 0 0 0 0 0 0 0 0 GPRESSURE: 94500 0 0 0 0 0 0 0 0 0 PRESSAVG: 94500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94500 0 0 0 0 0 0 0 0 0 TIMING: 94500 CPU: 376.951, 0.00398332/step Wall: 376.951, 0.00398332/step, 0.448677 hours remaining, 109.511719 MB of memory in use. ENERGY: 94500 689.0738 1868.9978 2007.7571 92.4881 -14.1824 -1015.3625 143.0748 0.0000 2695.4566 6467.3032 297.7207 3771.8466 6500.3875 299.4607 PRESSURE: 94600 0 0 0 0 0 0 0 0 0 GPRESSURE: 94600 0 0 0 0 0 0 0 0 0 PRESSAVG: 94600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94600 0 0 0 0 0 0 0 0 0 TIMING: 94600 CPU: 377.349, 0.0039847/step Wall: 377.349, 0.0039847/step, 0.448721 hours remaining, 109.511719 MB of memory in use. ENERGY: 94600 697.4680 1888.8046 2019.8642 114.4233 -13.2069 -1049.3657 160.3793 0.0000 2664.1520 6482.5187 294.2630 3818.3667 6515.5413 298.6806 PRESSURE: 94700 0 0 0 0 0 0 0 0 0 GPRESSURE: 94700 0 0 0 0 0 0 0 0 0 PRESSAVG: 94700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94700 0 0 0 0 0 0 0 0 0 TIMING: 94700 CPU: 377.748, 0.00398433/step Wall: 377.748, 0.00398433/step, 0.448569 hours remaining, 109.511719 MB of memory in use. ENERGY: 94700 654.2929 1944.8427 1992.7871 98.0337 -14.8189 -1048.4873 171.2848 0.0000 2707.4698 6505.4047 299.0476 3797.9349 6538.7416 300.6383 PRESSURE: 94800 0 0 0 0 0 0 0 0 0 GPRESSURE: 94800 0 0 0 0 0 0 0 0 0 PRESSAVG: 94800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94800 0 0 0 0 0 0 0 0 0 TIMING: 94800 CPU: 378.145, 0.00397297/step Wall: 378.145, 0.00397297/step, 0.44718 hours remaining, 109.511719 MB of memory in use. ENERGY: 94800 673.0822 1846.4213 2008.6662 104.1015 -14.0406 -1030.9723 151.1532 0.0000 2749.1909 6487.6025 303.6558 3738.4116 6521.1227 299.5788 PRESSURE: 94900 0 0 0 0 0 0 0 0 0 GPRESSURE: 94900 0 0 0 0 0 0 0 0 0 PRESSAVG: 94900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 94900 0 0 0 0 0 0 0 0 0 TIMING: 94900 CPU: 378.543, 0.00398424/step Wall: 378.543, 0.00398424/step, 0.448338 hours remaining, 109.511719 MB of memory in use. ENERGY: 94900 643.4958 1873.4805 2011.5333 105.8074 -13.6678 -1033.4309 162.9013 0.0000 2739.0561 6489.1758 302.5364 3750.1197 6523.5211 299.3915 PRESSURE: 95000 0 0 0 0 0 0 0 0 0 GPRESSURE: 95000 0 0 0 0 0 0 0 0 0 PRESSAVG: 95000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95000 0 0 0 0 0 0 0 0 0 TIMING: 95000 CPU: 378.941, 0.00397409/step Wall: 378.941, 0.00397409/step, 0.447085 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 95000 659.7349 1878.1788 2023.3509 106.1814 -14.3924 -1040.9944 171.5038 0.0000 2725.8662 6509.4292 301.0795 3783.5631 6543.4973 299.5371 PRESSURE: 95100 0 0 0 0 0 0 0 0 0 GPRESSURE: 95100 0 0 0 0 0 0 0 0 0 PRESSAVG: 95100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95100 0 0 0 0 0 0 0 0 0 TIMING: 95100 CPU: 379.339, 0.00397796/step Wall: 379.339, 0.00397796/step, 0.44741 hours remaining, 109.511719 MB of memory in use. ENERGY: 95100 639.0246 1901.9179 2008.8193 125.0976 -13.3488 -1030.8130 173.0637 0.0000 2731.0112 6534.7725 301.6478 3803.7612 6568.0348 301.7570 PRESSURE: 95200 0 0 0 0 0 0 0 0 0 GPRESSURE: 95200 0 0 0 0 0 0 0 0 0 PRESSAVG: 95200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95200 0 0 0 0 0 0 0 0 0 TIMING: 95200 CPU: 379.737, 0.00398386/step Wall: 379.737, 0.00398386/step, 0.447963 hours remaining, 109.511719 MB of memory in use. ENERGY: 95200 700.8137 1877.4630 1998.4571 103.4319 -14.5420 -1042.2979 177.2679 0.0000 2730.4118 6531.0055 301.5816 3800.5938 6564.2720 301.0565 PRESSURE: 95300 0 0 0 0 0 0 0 0 0 GPRESSURE: 95300 0 0 0 0 0 0 0 0 0 PRESSAVG: 95300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95300 0 0 0 0 0 0 0 0 0 TIMING: 95300 CPU: 380.134, 0.00397314/step Wall: 380.134, 0.00397314/step, 0.446647 hours remaining, 109.511719 MB of memory in use. ENERGY: 95300 661.6327 1912.9645 2009.1388 116.1241 -13.2370 -1018.8523 167.2731 0.0000 2714.2243 6549.2682 299.7936 3835.0439 6582.4190 303.3245 PRESSURE: 95400 0 0 0 0 0 0 0 0 0 GPRESSURE: 95400 0 0 0 0 0 0 0 0 0 PRESSAVG: 95400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95400 0 0 0 0 0 0 0 0 0 TIMING: 95400 CPU: 380.532, 0.00398036/step Wall: 380.532, 0.00398036/step, 0.447348 hours remaining, 109.511719 MB of memory in use. ENERGY: 95400 641.3986 1896.8432 2024.3284 116.2849 -15.3977 -1045.3362 166.0110 0.0000 2710.4113 6494.5435 299.3725 3784.1322 6525.5574 300.6111 PRESSURE: 95500 0 0 0 0 0 0 0 0 0 GPRESSURE: 95500 0 0 0 0 0 0 0 0 0 PRESSAVG: 95500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95500 0 0 0 0 0 0 0 0 0 TIMING: 95500 CPU: 380.93, 0.00397466/step Wall: 380.93, 0.00397466/step, 0.446597 hours remaining, 109.511719 MB of memory in use. ENERGY: 95500 633.6709 1900.5357 1980.0595 98.2577 -14.9945 -1015.8304 156.3887 0.0000 2714.2829 6452.3706 299.8001 3738.0877 6482.4526 298.6241 PRESSURE: 95600 0 0 0 0 0 0 0 0 0 GPRESSURE: 95600 0 0 0 0 0 0 0 0 0 PRESSAVG: 95600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95600 0 0 0 0 0 0 0 0 0 TIMING: 95600 CPU: 381.327, 0.00397493/step Wall: 381.327, 0.00397493/step, 0.446517 hours remaining, 109.511719 MB of memory in use. ENERGY: 95600 640.4249 1863.0174 2026.0796 110.7895 -14.8639 -1027.5646 171.4936 0.0000 2683.6882 6453.0647 296.4208 3769.3765 6485.8630 298.7816 PRESSURE: 95700 0 0 0 0 0 0 0 0 0 GPRESSURE: 95700 0 0 0 0 0 0 0 0 0 PRESSAVG: 95700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95700 0 0 0 0 0 0 0 0 0 TIMING: 95700 CPU: 381.726, 0.00398143/step Wall: 381.726, 0.00398143/step, 0.447136 hours remaining, 109.511719 MB of memory in use. ENERGY: 95700 611.3420 1857.8757 2028.9035 104.9420 -14.0717 -1007.3366 166.5892 0.0000 2693.9934 6442.2376 297.5591 3748.2443 6474.3903 297.4572 PRESSURE: 95800 0 0 0 0 0 0 0 0 0 GPRESSURE: 95800 0 0 0 0 0 0 0 0 0 PRESSAVG: 95800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95800 0 0 0 0 0 0 0 0 0 TIMING: 95800 CPU: 382.123, 0.00397174/step Wall: 382.123, 0.00397174/step, 0.445938 hours remaining, 109.511719 MB of memory in use. ENERGY: 95800 623.0011 1877.6366 2014.0713 113.1274 -14.6020 -1027.2120 173.6762 0.0000 2731.9270 6491.6256 301.7490 3759.6986 6523.9955 299.3911 PRESSURE: 95900 0 0 0 0 0 0 0 0 0 GPRESSURE: 95900 0 0 0 0 0 0 0 0 0 PRESSAVG: 95900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 95900 0 0 0 0 0 0 0 0 0 TIMING: 95900 CPU: 382.52, 0.00397413/step Wall: 382.52, 0.00397413/step, 0.446096 hours remaining, 109.511719 MB of memory in use. ENERGY: 95900 611.3889 1924.5472 2027.7923 105.9318 -14.6819 -1037.1177 159.9430 0.0000 2720.9553 6498.7589 300.5371 3777.8037 6531.4389 300.2165 PRESSURE: 96000 0 0 0 0 0 0 0 0 0 GPRESSURE: 96000 0 0 0 0 0 0 0 0 0 PRESSAVG: 96000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96000 0 0 0 0 0 0 0 0 0 TIMING: 96000 CPU: 382.918, 0.00397841/step Wall: 382.918, 0.00397841/step, 0.446466 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 96000 625.4618 1932.0574 2014.1805 97.7871 -14.7963 -1007.5212 159.5346 0.0000 2721.1687 6527.8725 300.5607 3806.7038 6559.8919 299.9695 PRESSURE: 96100 0 0 0 0 0 0 0 0 0 GPRESSURE: 96100 0 0 0 0 0 0 0 0 0 PRESSAVG: 96100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96100 0 0 0 0 0 0 0 0 0 TIMING: 96100 CPU: 383.315, 0.00397527/step Wall: 383.315, 0.00397527/step, 0.446003 hours remaining, 109.511719 MB of memory in use. ENERGY: 96100 636.7428 1893.7925 2003.7128 108.8476 -15.1076 -1042.9749 165.7423 0.0000 2768.4957 6519.2511 305.7881 3750.7554 6552.1652 302.5568 PRESSURE: 96200 0 0 0 0 0 0 0 0 0 GPRESSURE: 96200 0 0 0 0 0 0 0 0 0 PRESSAVG: 96200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96200 0 0 0 0 0 0 0 0 0 TIMING: 96200 CPU: 383.714, 0.00398189/step Wall: 383.714, 0.00398189/step, 0.446635 hours remaining, 109.511719 MB of memory in use. ENERGY: 96200 674.2124 1917.9092 2030.9483 99.2363 -13.9753 -1045.3354 174.1605 0.0000 2708.8659 6546.0219 299.2018 3837.1560 6574.9443 301.9361 LDB: ============= START OF LOAD BALANCING ============== 386.488 LDB: ============== END OF LOAD BALANCING =============== 386.489 LDB: =============== DONE WITH MIGRATION ================ 386.489 PRESSURE: 96300 0 0 0 0 0 0 0 0 0 GPRESSURE: 96300 0 0 0 0 0 0 0 0 0 PRESSAVG: 96300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96300 0 0 0 0 0 0 0 0 0 TIMING: 96300 CPU: 384.111, 0.00397379/step Wall: 384.111, 0.00397379/step, 0.445616 hours remaining, 109.511719 MB of memory in use. ENERGY: 96300 647.8309 1868.1290 2005.0557 99.1857 -13.8959 -1013.1232 167.9130 0.0000 2774.3001 6535.3953 306.4292 3761.0952 6566.8234 303.6762 LDB: ============= START OF LOAD BALANCING ============== 386.887 LDB: ============== END OF LOAD BALANCING =============== 386.887 LDB: =============== DONE WITH MIGRATION ================ 386.887 PRESSURE: 96400 0 0 0 0 0 0 0 0 0 GPRESSURE: 96400 0 0 0 0 0 0 0 0 0 PRESSAVG: 96400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96400 0 0 0 0 0 0 0 0 0 TIMING: 96400 CPU: 384.509, 0.0039805/step Wall: 384.509, 0.0039805/step, 0.446258 hours remaining, 109.511719 MB of memory in use. ENERGY: 96400 649.5118 1906.4976 2015.3401 120.7101 -12.2097 -1058.0008 173.3718 0.0000 2731.3846 6526.6054 301.6890 3795.2208 6558.9770 301.5477 PRESSURE: 96500 0 0 0 0 0 0 0 0 0 GPRESSURE: 96500 0 0 0 0 0 0 0 0 0 PRESSAVG: 96500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96500 0 0 0 0 0 0 0 0 0 TIMING: 96500 CPU: 384.907, 0.00398142/step Wall: 384.907, 0.00398142/step, 0.446251 hours remaining, 109.511719 MB of memory in use. ENERGY: 96500 665.7465 1876.0192 2033.2628 107.4100 -13.8721 -995.2049 158.4396 0.0000 2740.5857 6572.3868 302.7053 3831.8010 6608.1102 302.7547 PRESSURE: 96600 0 0 0 0 0 0 0 0 0 GPRESSURE: 96600 0 0 0 0 0 0 0 0 0 PRESSAVG: 96600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96600 0 0 0 0 0 0 0 0 0 TIMING: 96600 CPU: 385.305, 0.00397313/step Wall: 385.305, 0.00397313/step, 0.445211 hours remaining, 109.511719 MB of memory in use. ENERGY: 96600 667.3575 1885.6528 2020.0851 114.7721 -12.3966 -1024.5368 172.4849 0.0000 2744.6430 6568.0620 303.1535 3823.4190 6600.9699 304.8722 PRESSURE: 96700 0 0 0 0 0 0 0 0 0 GPRESSURE: 96700 0 0 0 0 0 0 0 0 0 PRESSAVG: 96700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96700 0 0 0 0 0 0 0 0 0 TIMING: 96700 CPU: 385.703, 0.00398047/step Wall: 385.703, 0.00398047/step, 0.445923 hours remaining, 109.511719 MB of memory in use. ENERGY: 96700 628.3333 1928.0551 1991.6413 98.0010 -13.6441 -1029.4541 174.3715 0.0000 2780.3527 6557.6566 307.0977 3777.3039 6594.7020 303.5101 PRESSURE: 96800 0 0 0 0 0 0 0 0 0 GPRESSURE: 96800 0 0 0 0 0 0 0 0 0 PRESSAVG: 96800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96800 0 0 0 0 0 0 0 0 0 TIMING: 96800 CPU: 386.1, 0.0039711/step Wall: 386.1, 0.0039711/step, 0.444763 hours remaining, 109.511719 MB of memory in use. ENERGY: 96800 660.6439 1887.2962 1986.8544 94.7522 -14.1728 -1010.3466 169.4282 0.0000 2799.0689 6573.5244 309.1650 3774.4555 6610.7461 305.7667 PRESSURE: 96900 0 0 0 0 0 0 0 0 0 GPRESSURE: 96900 0 0 0 0 0 0 0 0 0 PRESSAVG: 96900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 96900 0 0 0 0 0 0 0 0 0 TIMING: 96900 CPU: 386.497, 0.00396999/step Wall: 386.497, 0.00396999/step, 0.444529 hours remaining, 109.511719 MB of memory in use. ENERGY: 96900 662.7374 1907.4789 2026.8400 113.9344 -14.4037 -1037.1982 175.5424 0.0000 2715.4531 6550.3842 299.9294 3834.9311 6584.7613 303.9491 PRESSURE: 97000 0 0 0 0 0 0 0 0 0 GPRESSURE: 97000 0 0 0 0 0 0 0 0 0 PRESSAVG: 97000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97000 0 0 0 0 0 0 0 0 0 TIMING: 97000 CPU: 386.895, 0.0039797/step Wall: 386.895, 0.0039797/step, 0.445505 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 97000 675.4870 1913.2305 2017.1194 113.3381 -14.1040 -1072.3328 157.4047 0.0000 2780.2834 6570.4264 307.0900 3790.1431 6602.3515 303.4721 PRESSURE: 97100 0 0 0 0 0 0 0 0 0 GPRESSURE: 97100 0 0 0 0 0 0 0 0 0 PRESSAVG: 97100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97100 0 0 0 0 0 0 0 0 0 TIMING: 97100 CPU: 387.292, 0.0039698/step Wall: 387.292, 0.00396979/step, 0.444286 hours remaining, 109.511719 MB of memory in use. ENERGY: 97100 686.8107 1923.8944 2011.5741 109.0990 -13.9528 -1050.8325 162.8492 0.0000 2720.2640 6549.7062 300.4607 3829.4422 6583.5014 304.1502 PRESSURE: 97200 0 0 0 0 0 0 0 0 0 GPRESSURE: 97200 0 0 0 0 0 0 0 0 0 PRESSAVG: 97200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97200 0 0 0 0 0 0 0 0 0 TIMING: 97200 CPU: 387.69, 0.00398286/step Wall: 387.69, 0.00398287/step, 0.445639 hours remaining, 109.511719 MB of memory in use. ENERGY: 97200 639.3570 1874.9564 2021.8987 99.3659 -14.3550 -994.0782 162.9095 0.0000 2718.7415 6508.7957 300.2926 3790.0542 6541.7649 302.4771 PRESSURE: 97300 0 0 0 0 0 0 0 0 0 GPRESSURE: 97300 0 0 0 0 0 0 0 0 0 PRESSAVG: 97300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97300 0 0 0 0 0 0 0 0 0 TIMING: 97300 CPU: 388.087, 0.00396984/step Wall: 388.087, 0.00396984/step, 0.444071 hours remaining, 109.511719 MB of memory in use. ENERGY: 97300 634.3783 1983.4956 2016.0382 105.9131 -15.1092 -1041.6940 159.4817 0.0000 2718.7625 6561.2661 300.2949 3842.5036 6593.6269 301.7936 PRESSURE: 97400 0 0 0 0 0 0 0 0 0 GPRESSURE: 97400 0 0 0 0 0 0 0 0 0 PRESSAVG: 97400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97400 0 0 0 0 0 0 0 0 0 TIMING: 97400 CPU: 388.484, 0.00397172/step Wall: 388.484, 0.00397172/step, 0.444171 hours remaining, 109.511719 MB of memory in use. ENERGY: 97400 681.9145 1907.7582 2013.2988 103.4779 -14.5306 -1035.3624 165.0143 0.0000 2770.0591 6591.6297 305.9607 3821.5705 6624.0402 304.2297 PRESSURE: 97500 0 0 0 0 0 0 0 0 0 GPRESSURE: 97500 0 0 0 0 0 0 0 0 0 PRESSAVG: 97500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97500 0 0 0 0 0 0 0 0 0 TIMING: 97500 CPU: 388.882, 0.00398066/step Wall: 388.882, 0.00398066/step, 0.44506 hours remaining, 109.511719 MB of memory in use. ENERGY: 97500 630.4875 1921.1139 2027.1881 101.9584 -14.0625 -1021.9650 167.0924 0.0000 2769.7256 6581.5384 305.9239 3811.8128 6615.9645 305.5477 PRESSURE: 97600 0 0 0 0 0 0 0 0 0 GPRESSURE: 97600 0 0 0 0 0 0 0 0 0 PRESSAVG: 97600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97600 0 0 0 0 0 0 0 0 0 TIMING: 97600 CPU: 389.279, 0.00396897/step Wall: 389.279, 0.00396897/step, 0.443642 hours remaining, 109.511719 MB of memory in use. ENERGY: 97600 654.8977 1931.8886 2016.1166 103.0928 -14.6404 -1061.5432 170.9294 0.0000 2759.9318 6560.6732 304.8422 3800.7415 6597.7165 303.4389 PRESSURE: 97700 0 0 0 0 0 0 0 0 0 GPRESSURE: 97700 0 0 0 0 0 0 0 0 0 PRESSAVG: 97700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97700 0 0 0 0 0 0 0 0 0 TIMING: 97700 CPU: 389.678, 0.00398444/step Wall: 389.678, 0.00398444/step, 0.445261 hours remaining, 109.511719 MB of memory in use. ENERGY: 97700 683.2526 1876.9760 2009.8537 108.1532 -14.7519 -1001.5726 177.7136 0.0000 2689.0917 6528.7165 297.0177 3839.6248 6560.8942 301.5460 PRESSURE: 97800 0 0 0 0 0 0 0 0 0 GPRESSURE: 97800 0 0 0 0 0 0 0 0 0 PRESSAVG: 97800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97800 0 0 0 0 0 0 0 0 0 TIMING: 97800 CPU: 390.075, 0.00397287/step Wall: 390.075, 0.00397287/step, 0.443858 hours remaining, 109.511719 MB of memory in use. ENERGY: 97800 662.5068 1899.4697 2028.0637 103.0114 -13.9437 -1035.7622 160.3059 0.0000 2756.3565 6560.0082 304.4473 3803.6517 6593.9590 301.4198 PRESSURE: 97900 0 0 0 0 0 0 0 0 0 GPRESSURE: 97900 0 0 0 0 0 0 0 0 0 PRESSAVG: 97900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 97900 0 0 0 0 0 0 0 0 0 TIMING: 97900 CPU: 390.472, 0.00397121/step Wall: 390.472, 0.00397121/step, 0.443562 hours remaining, 109.511719 MB of memory in use. ENERGY: 97900 631.6692 1966.0276 2014.3664 101.6295 -15.0773 -1055.2765 185.5857 0.0000 2691.7637 6520.6881 297.3128 3828.9244 6555.8819 301.4917 PRESSURE: 98000 0 0 0 0 0 0 0 0 0 GPRESSURE: 98000 0 0 0 0 0 0 0 0 0 PRESSAVG: 98000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98000 0 0 0 0 0 0 0 0 0 TIMING: 98000 CPU: 390.873, 0.00400662/step Wall: 390.873, 0.00400662/step, 0.447406 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 98000 670.8211 1878.2953 2028.6741 117.2016 -14.8158 -1003.9575 182.0217 0.0000 2686.5823 6544.8228 296.7405 3858.2405 6578.9105 302.8974 PRESSURE: 98100 0 0 0 0 0 0 0 0 0 GPRESSURE: 98100 0 0 0 0 0 0 0 0 0 PRESSAVG: 98100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98100 0 0 0 0 0 0 0 0 0 TIMING: 98100 CPU: 391.27, 0.00397059/step Wall: 391.27, 0.00397059/step, 0.443272 hours remaining, 109.511719 MB of memory in use. ENERGY: 98100 663.6039 1860.9467 2038.3800 99.7759 -13.8237 -1043.4709 172.3646 0.0000 2766.2352 6544.0117 305.5384 3777.7764 6576.7426 301.1189 PRESSURE: 98200 0 0 0 0 0 0 0 0 0 GPRESSURE: 98200 0 0 0 0 0 0 0 0 0 PRESSAVG: 98200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98200 0 0 0 0 0 0 0 0 0 TIMING: 98200 CPU: 391.667, 0.00397516/step Wall: 391.667, 0.00397516/step, 0.443672 hours remaining, 109.511719 MB of memory in use. ENERGY: 98200 644.3593 1882.9603 2021.2952 113.7152 -14.0632 -1005.4984 170.0237 0.0000 2711.8373 6524.6294 299.5300 3812.7921 6557.1856 302.8299 PRESSURE: 98300 0 0 0 0 0 0 0 0 0 GPRESSURE: 98300 0 0 0 0 0 0 0 0 0 PRESSAVG: 98300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98300 0 0 0 0 0 0 0 0 0 TIMING: 98300 CPU: 392.064, 0.00397135/step Wall: 392.064, 0.00397135/step, 0.443136 hours remaining, 109.511719 MB of memory in use. ENERGY: 98300 683.9146 1854.6280 2027.8614 101.8936 -15.1013 -1050.8516 160.4253 0.0000 2753.8350 6516.6051 304.1687 3762.7701 6547.2788 300.9938 PRESSURE: 98400 0 0 0 0 0 0 0 0 0 GPRESSURE: 98400 0 0 0 0 0 0 0 0 0 PRESSAVG: 98400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98400 0 0 0 0 0 0 0 0 0 TIMING: 98400 CPU: 392.462, 0.00397298/step Wall: 392.462, 0.00397298/step, 0.443208 hours remaining, 109.511719 MB of memory in use. ENERGY: 98400 660.2258 1873.6246 1997.2573 102.3246 -14.2562 -1018.5706 193.4440 0.0000 2726.8632 6520.9128 301.1896 3794.0495 6553.9820 301.2374 PRESSURE: 98500 0 0 0 0 0 0 0 0 0 GPRESSURE: 98500 0 0 0 0 0 0 0 0 0 PRESSAVG: 98500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98500 0 0 0 0 0 0 0 0 0 TIMING: 98500 CPU: 392.859, 0.00397831/step Wall: 392.859, 0.00397831/step, 0.443692 hours remaining, 109.511719 MB of memory in use. ENERGY: 98500 617.3721 1897.3911 2029.7044 118.7676 -14.4227 -994.0321 174.5572 0.0000 2689.2761 6518.6137 297.0380 3829.3376 6551.4968 301.3762 PRESSURE: 98600 0 0 0 0 0 0 0 0 0 GPRESSURE: 98600 0 0 0 0 0 0 0 0 0 PRESSAVG: 98600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98600 0 0 0 0 0 0 0 0 0 TIMING: 98600 CPU: 393.257, 0.00397172/step Wall: 393.257, 0.00397172/step, 0.442847 hours remaining, 109.511719 MB of memory in use. ENERGY: 98600 648.2967 1850.1930 2018.3532 99.2070 -13.9059 -996.4749 170.6148 0.0000 2704.2565 6480.5403 298.6927 3776.2838 6515.7389 299.6382 PRESSURE: 98700 0 0 0 0 0 0 0 0 0 GPRESSURE: 98700 0 0 0 0 0 0 0 0 0 PRESSAVG: 98700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98700 0 0 0 0 0 0 0 0 0 TIMING: 98700 CPU: 393.655, 0.00397964/step Wall: 393.655, 0.00397964/step, 0.443619 hours remaining, 109.511719 MB of memory in use. ENERGY: 98700 609.6578 1924.7381 2015.0721 97.1767 -13.3245 -1050.4925 176.3275 0.0000 2696.9795 6456.1348 297.8889 3759.1553 6484.8266 297.9075 PRESSURE: 98800 0 0 0 0 0 0 0 0 0 GPRESSURE: 98800 0 0 0 0 0 0 0 0 0 PRESSAVG: 98800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98800 0 0 0 0 0 0 0 0 0 TIMING: 98800 CPU: 394.052, 0.00397106/step Wall: 394.052, 0.00397106/step, 0.442553 hours remaining, 109.511719 MB of memory in use. ENERGY: 98800 600.9969 1920.2411 2029.2764 94.8044 -13.7702 -1035.0640 157.4544 0.0000 2728.4207 6482.3598 301.3617 3753.9391 6513.3858 298.8544 PRESSURE: 98900 0 0 0 0 0 0 0 0 0 GPRESSURE: 98900 0 0 0 0 0 0 0 0 0 PRESSAVG: 98900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 98900 0 0 0 0 0 0 0 0 0 TIMING: 98900 CPU: 394.449, 0.00397244/step Wall: 394.449, 0.00397244/step, 0.442596 hours remaining, 109.511719 MB of memory in use. ENERGY: 98900 674.2997 1890.0205 2020.5439 109.1046 -14.7619 -1055.2072 154.0450 0.0000 2737.8718 6515.9164 302.4056 3778.0446 6549.4014 300.5894 PRESSURE: 99000 0 0 0 0 0 0 0 0 0 GPRESSURE: 99000 0 0 0 0 0 0 0 0 0 PRESSAVG: 99000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99000 0 0 0 0 0 0 0 0 0 TIMING: 99000 CPU: 394.847, 0.00397727/step Wall: 394.847, 0.00397727/step, 0.443024 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 99000 642.0997 1897.0272 2025.6400 94.9743 -13.8844 -1051.9884 157.6290 0.0000 2736.6554 6488.1526 302.2712 3751.4972 6524.1614 301.2910 PRESSURE: 99100 0 0 0 0 0 0 0 0 0 GPRESSURE: 99100 0 0 0 0 0 0 0 0 0 PRESSAVG: 99100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99100 0 0 0 0 0 0 0 0 0 TIMING: 99100 CPU: 395.244, 0.00397231/step Wall: 395.244, 0.0039723/step, 0.44236 hours remaining, 109.511719 MB of memory in use. ENERGY: 99100 655.3260 1874.4466 2019.3208 95.5877 -13.9663 -1015.3040 166.2959 0.0000 2738.1683 6519.8750 302.4383 3781.7067 6555.3147 299.7562 PRESSURE: 99200 0 0 0 0 0 0 0 0 0 GPRESSURE: 99200 0 0 0 0 0 0 0 0 0 PRESSAVG: 99200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99200 0 0 0 0 0 0 0 0 0 TIMING: 99200 CPU: 395.642, 0.00397821/step Wall: 395.642, 0.00397822/step, 0.442908 hours remaining, 109.511719 MB of memory in use. ENERGY: 99200 626.7821 1912.6967 2041.5660 110.0532 -14.1953 -1036.1521 166.7637 0.0000 2713.9010 6521.4153 299.7579 3807.5143 6555.2045 301.3701 PRESSURE: 99300 0 0 0 0 0 0 0 0 0 GPRESSURE: 99300 0 0 0 0 0 0 0 0 0 PRESSAVG: 99300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99300 0 0 0 0 0 0 0 0 0 TIMING: 99300 CPU: 396.039, 0.00396999/step Wall: 396.039, 0.00396999/step, 0.441882 hours remaining, 109.511719 MB of memory in use. ENERGY: 99300 656.4313 1897.7970 2016.7321 94.1306 -14.7981 -1054.9516 157.6965 0.0000 2768.5308 6521.5687 305.7919 3753.0378 6556.4488 301.8925 PRESSURE: 99400 0 0 0 0 0 0 0 0 0 GPRESSURE: 99400 0 0 0 0 0 0 0 0 0 PRESSAVG: 99400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99400 0 0 0 0 0 0 0 0 0 TIMING: 99400 CPU: 396.436, 0.0039736/step Wall: 396.436, 0.0039736/step, 0.442173 hours remaining, 109.511719 MB of memory in use. ENERGY: 99400 646.5053 1891.5858 2014.9968 96.9298 -13.3114 -1059.8681 165.9612 0.0000 2755.6233 6498.4226 304.3663 3742.7993 6533.3956 302.2027 PRESSURE: 99500 0 0 0 0 0 0 0 0 0 GPRESSURE: 99500 0 0 0 0 0 0 0 0 0 PRESSAVG: 99500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99500 0 0 0 0 0 0 0 0 0 TIMING: 99500 CPU: 396.834, 0.00397554/step Wall: 396.834, 0.00397554/step, 0.442279 hours remaining, 109.511719 MB of memory in use. ENERGY: 99500 641.1724 1868.3673 2005.7115 110.6687 -14.0806 -1031.9139 150.8646 0.0000 2775.4437 6506.2337 306.5555 3730.7900 6541.1391 300.7826 PRESSURE: 99600 0 0 0 0 0 0 0 0 0 GPRESSURE: 99600 0 0 0 0 0 0 0 0 0 PRESSAVG: 99600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99600 0 0 0 0 0 0 0 0 0 TIMING: 99600 CPU: 397.231, 0.00397195/step Wall: 397.231, 0.00397195/step, 0.441769 hours remaining, 109.511719 MB of memory in use. ENERGY: 99600 664.9421 1876.2146 2013.0562 105.1708 -14.5151 -1029.0645 175.3833 0.0000 2708.9054 6500.0929 299.2061 3791.1874 6533.5564 301.0090 PRESSURE: 99700 0 0 0 0 0 0 0 0 0 GPRESSURE: 99700 0 0 0 0 0 0 0 0 0 PRESSAVG: 99700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99700 0 0 0 0 0 0 0 0 0 TIMING: 99700 CPU: 397.629, 0.00398036/step Wall: 397.629, 0.00398036/step, 0.442594 hours remaining, 109.511719 MB of memory in use. ENERGY: 99700 662.7221 1921.7702 2019.0320 105.7125 -14.6243 -1063.1026 175.9350 0.0000 2707.3291 6514.7740 299.0320 3807.4450 6548.5045 301.2546 PRESSURE: 99800 0 0 0 0 0 0 0 0 0 GPRESSURE: 99800 0 0 0 0 0 0 0 0 0 PRESSAVG: 99800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99800 0 0 0 0 0 0 0 0 0 TIMING: 99800 CPU: 398.026, 0.00397163/step Wall: 398.026, 0.00397163/step, 0.441513 hours remaining, 109.511719 MB of memory in use. ENERGY: 99800 662.7994 1907.1593 2007.9368 103.4849 -14.9164 -1037.6194 156.0749 0.0000 2697.4621 6482.3815 297.9422 3784.9195 6514.6604 300.0723 PRESSURE: 99900 0 0 0 0 0 0 0 0 0 GPRESSURE: 99900 0 0 0 0 0 0 0 0 0 PRESSAVG: 99900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 99900 0 0 0 0 0 0 0 0 0 TIMING: 99900 CPU: 398.423, 0.00397332/step Wall: 398.423, 0.00397332/step, 0.44159 hours remaining, 109.511719 MB of memory in use. ENERGY: 99900 658.1291 1909.7019 2026.8754 104.7490 -13.6908 -1063.7539 168.1237 0.0000 2699.8687 6490.0032 298.2080 3790.1345 6521.2032 298.0469 PRESSURE: 100000 0 0 0 0 0 0 0 0 0 GPRESSURE: 100000 0 0 0 0 0 0 0 0 0 PRESSAVG: 100000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100000 0 0 0 0 0 0 0 0 0 TIMING: 100000 CPU: 398.821, 0.00398112/step Wall: 398.821, 0.00398112/step, 0.442347 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 100000 637.2530 1921.3780 1986.4710 101.9046 -13.9975 -1027.2892 151.9753 0.0000 2673.1719 6430.8672 295.2593 3757.6953 6464.5987 298.1900 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.022 seconds, 109.512 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 100100 0 0 0 0 0 0 0 0 0 GPRESSURE: 100100 0 0 0 0 0 0 0 0 0 PRESSAVG: 100100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100100 0 0 0 0 0 0 0 0 0 TIMING: 100100 CPU: 399.262, 0.0044053/step Wall: 399.262, 0.0044053/step, 0.489355 hours remaining, 109.511719 MB of memory in use. ENERGY: 100100 648.1724 1870.4903 1992.2024 113.1774 -13.2752 -1055.3133 162.2820 0.0000 2717.4878 6435.2238 300.1541 3717.7360 6469.4512 297.1148 PRESSURE: 100200 0 0 0 0 0 0 0 0 0 GPRESSURE: 100200 0 0 0 0 0 0 0 0 0 PRESSAVG: 100200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100200 0 0 0 0 0 0 0 0 0 TIMING: 100200 CPU: 399.66, 0.00397897/step Wall: 399.66, 0.00397897/step, 0.441887 hours remaining, 109.511719 MB of memory in use. ENERGY: 100200 673.4536 1904.8936 1996.6216 98.7669 -13.9457 -1049.1111 157.5446 0.0000 2647.5737 6415.7972 292.4319 3768.2235 6446.0091 297.7365 LDB: ============= START OF LOAD BALANCING ============== 402.435 LDB: ============== END OF LOAD BALANCING =============== 402.435 LDB: =============== DONE WITH MIGRATION ================ 402.435 PRESSURE: 100300 0 0 0 0 0 0 0 0 0 GPRESSURE: 100300 0 0 0 0 0 0 0 0 0 PRESSAVG: 100300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100300 0 0 0 0 0 0 0 0 0 TIMING: 100300 CPU: 400.057, 0.00397129/step Wall: 400.057, 0.00397129/step, 0.440924 hours remaining, 109.511719 MB of memory in use. ENERGY: 100300 630.5490 1852.3021 1985.8584 101.4987 -14.0608 -1034.6790 157.5079 0.0000 2720.9528 6399.9291 300.5368 3678.9763 6434.9503 294.7733 LDB: ============= START OF LOAD BALANCING ============== 402.833 LDB: ============== END OF LOAD BALANCING =============== 402.833 LDB: =============== DONE WITH MIGRATION ================ 402.833 PRESSURE: 100400 0 0 0 0 0 0 0 0 0 GPRESSURE: 100400 0 0 0 0 0 0 0 0 0 PRESSAVG: 100400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100400 0 0 0 0 0 0 0 0 0 TIMING: 100400 CPU: 400.455, 0.00398004/step Wall: 400.455, 0.00398004/step, 0.441785 hours remaining, 109.511719 MB of memory in use. ENERGY: 100400 691.2744 1939.9614 1989.1872 96.2623 -14.2764 -1050.1545 162.3659 0.0000 2679.9437 6494.5640 296.0072 3814.6203 6527.1625 298.4746 PRESSURE: 100500 0 0 0 0 0 0 0 0 0 GPRESSURE: 100500 0 0 0 0 0 0 0 0 0 PRESSAVG: 100500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100500 0 0 0 0 0 0 0 0 0 TIMING: 100500 CPU: 400.853, 0.00397839/step Wall: 400.853, 0.00397839/step, 0.441491 hours remaining, 109.511719 MB of memory in use. ENERGY: 100500 685.4356 1893.1471 2001.5224 99.0197 -15.4178 -1064.2638 167.1726 0.0000 2690.7978 6457.4136 297.2061 3766.6158 6491.1039 299.1202 PRESSURE: 100600 0 0 0 0 0 0 0 0 0 GPRESSURE: 100600 0 0 0 0 0 0 0 0 0 PRESSAVG: 100600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100600 0 0 0 0 0 0 0 0 0 TIMING: 100600 CPU: 401.25, 0.003972/step Wall: 401.25, 0.003972/step, 0.440671 hours remaining, 109.511719 MB of memory in use. ENERGY: 100600 636.2348 1895.6058 1979.4535 101.0654 -13.1600 -1016.0917 156.4830 0.0000 2717.5174 6457.1081 300.1574 3739.5908 6489.0220 299.5294 PRESSURE: 100700 0 0 0 0 0 0 0 0 0 GPRESSURE: 100700 0 0 0 0 0 0 0 0 0 PRESSAVG: 100700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100700 0 0 0 0 0 0 0 0 0 TIMING: 100700 CPU: 401.648, 0.00397953/step Wall: 401.648, 0.00397953/step, 0.441396 hours remaining, 109.511719 MB of memory in use. ENERGY: 100700 632.6668 1898.6926 2009.2513 105.1350 -15.5584 -1044.6414 175.2286 0.0000 2711.0312 6471.8056 299.4409 3760.7744 6505.7353 298.3133 PRESSURE: 100800 0 0 0 0 0 0 0 0 0 GPRESSURE: 100800 0 0 0 0 0 0 0 0 0 PRESSAVG: 100800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100800 0 0 0 0 0 0 0 0 0 TIMING: 100800 CPU: 402.045, 0.00397082/step Wall: 402.045, 0.00397081/step, 0.440319 hours remaining, 109.511719 MB of memory in use. ENERGY: 100800 681.4636 1863.3505 1991.6635 89.6132 -14.4689 -1025.6766 154.2307 0.0000 2740.0070 6480.1831 302.6414 3740.1761 6516.1730 300.7059 PRESSURE: 100900 0 0 0 0 0 0 0 0 0 GPRESSURE: 100900 0 0 0 0 0 0 0 0 0 PRESSAVG: 100900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 100900 0 0 0 0 0 0 0 0 0 TIMING: 100900 CPU: 402.442, 0.00397239/step Wall: 402.442, 0.0039724/step, 0.440385 hours remaining, 109.511719 MB of memory in use. ENERGY: 100900 652.1486 1891.2505 2000.0926 99.6088 -14.9181 -1016.6539 165.1155 0.0000 2729.5256 6506.1696 301.4837 3776.6440 6539.7141 300.9570 PRESSURE: 101000 0 0 0 0 0 0 0 0 0 GPRESSURE: 101000 0 0 0 0 0 0 0 0 0 PRESSAVG: 101000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101000 0 0 0 0 0 0 0 0 0 TIMING: 101000 CPU: 402.84, 0.00397586/step Wall: 402.84, 0.00397585/step, 0.440657 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 101000 676.7482 1908.9984 2015.0289 100.0812 -14.5956 -1048.0533 170.1423 0.0000 2738.4247 6546.7748 302.4666 3808.3500 6579.7874 300.9951 PRESSURE: 101100 0 0 0 0 0 0 0 0 0 GPRESSURE: 101100 0 0 0 0 0 0 0 0 0 PRESSAVG: 101100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101100 0 0 0 0 0 0 0 0 0 TIMING: 101100 CPU: 403.237, 0.00397279/step Wall: 403.237, 0.0039728/step, 0.440208 hours remaining, 109.511719 MB of memory in use. ENERGY: 101100 676.1836 1904.7597 2022.3813 114.9423 -14.8310 -1028.4441 161.9671 0.0000 2665.2855 6502.2444 294.3882 3836.9589 6535.8726 301.2613 PRESSURE: 101200 0 0 0 0 0 0 0 0 0 GPRESSURE: 101200 0 0 0 0 0 0 0 0 0 PRESSAVG: 101200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101200 0 0 0 0 0 0 0 0 0 TIMING: 101200 CPU: 403.635, 0.00398068/step Wall: 403.635, 0.00398068/step, 0.440971 hours remaining, 109.511719 MB of memory in use. ENERGY: 101200 654.1438 1892.4441 2055.6912 98.2087 -13.4866 -1032.1567 171.8699 0.0000 2699.0600 6525.7743 298.1187 3826.7143 6563.8917 301.5103 PRESSURE: 101300 0 0 0 0 0 0 0 0 0 GPRESSURE: 101300 0 0 0 0 0 0 0 0 0 PRESSAVG: 101300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101300 0 0 0 0 0 0 0 0 0 TIMING: 101300 CPU: 404.032, 0.00397084/step Wall: 404.032, 0.00397084/step, 0.439771 hours remaining, 109.511719 MB of memory in use. ENERGY: 101300 669.4806 1887.9076 2001.3145 112.6771 -14.6016 -1050.8765 152.1329 0.0000 2773.1703 6531.2048 306.3044 3758.0345 6564.7694 300.6738 PRESSURE: 101400 0 0 0 0 0 0 0 0 0 GPRESSURE: 101400 0 0 0 0 0 0 0 0 0 PRESSAVG: 101400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101400 0 0 0 0 0 0 0 0 0 TIMING: 101400 CPU: 404.429, 0.00397103/step Wall: 404.429, 0.00397103/step, 0.439681 hours remaining, 109.511719 MB of memory in use. ENERGY: 101400 645.5546 1866.6748 2028.9210 106.9904 -13.9635 -1024.8537 159.3355 0.0000 2786.5879 6555.2470 307.7864 3768.6591 6589.7344 303.6693 PRESSURE: 101500 0 0 0 0 0 0 0 0 0 GPRESSURE: 101500 0 0 0 0 0 0 0 0 0 PRESSAVG: 101500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101500 0 0 0 0 0 0 0 0 0 TIMING: 101500 CPU: 404.827, 0.0039765/step Wall: 404.827, 0.0039765/step, 0.440176 hours remaining, 109.511719 MB of memory in use. ENERGY: 101500 656.9443 1872.8039 2043.0476 106.3621 -14.6156 -1049.9513 164.4509 0.0000 2765.0404 6544.0822 305.4064 3779.0418 6577.3923 303.2455 PRESSURE: 101600 0 0 0 0 0 0 0 0 0 GPRESSURE: 101600 0 0 0 0 0 0 0 0 0 PRESSAVG: 101600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101600 0 0 0 0 0 0 0 0 0 TIMING: 101600 CPU: 405.224, 0.00396949/step Wall: 405.224, 0.00396949/step, 0.43929 hours remaining, 109.511719 MB of memory in use. ENERGY: 101600 664.3473 1925.5445 2009.7428 99.8609 -15.5683 -1021.9223 163.4646 0.0000 2764.0630 6589.5324 305.2985 3825.4694 6622.6797 303.2529 PRESSURE: 101700 0 0 0 0 0 0 0 0 0 GPRESSURE: 101700 0 0 0 0 0 0 0 0 0 PRESSAVG: 101700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101700 0 0 0 0 0 0 0 0 0 TIMING: 101700 CPU: 405.622, 0.00398123/step Wall: 405.622, 0.00398123/step, 0.440479 hours remaining, 109.511719 MB of memory in use. ENERGY: 101700 672.7316 1957.4676 2018.5563 96.3217 -14.5696 -1062.8368 171.8493 0.0000 2764.5368 6604.0570 305.3508 3839.5202 6640.1590 306.0540 PRESSURE: 101800 0 0 0 0 0 0 0 0 0 GPRESSURE: 101800 0 0 0 0 0 0 0 0 0 PRESSAVG: 101800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101800 0 0 0 0 0 0 0 0 0 TIMING: 101800 CPU: 406.019, 0.00396935/step Wall: 406.019, 0.00396935/step, 0.439054 hours remaining, 109.511719 MB of memory in use. ENERGY: 101800 674.8110 1914.7917 2028.4837 107.0636 -13.7626 -1032.3040 158.6495 0.0000 2765.9110 6603.6439 305.5026 3837.7329 6640.1685 306.1236 PRESSURE: 101900 0 0 0 0 0 0 0 0 0 GPRESSURE: 101900 0 0 0 0 0 0 0 0 0 PRESSAVG: 101900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 101900 0 0 0 0 0 0 0 0 0 TIMING: 101900 CPU: 406.416, 0.0039691/step Wall: 406.416, 0.0039691/step, 0.438916 hours remaining, 109.511719 MB of memory in use. ENERGY: 101900 674.8130 1903.7769 2002.7801 106.9955 -14.6525 -1044.6977 182.7422 0.0000 2785.4469 6597.2043 307.6604 3811.7575 6630.1803 306.3487 PRESSURE: 102000 0 0 0 0 0 0 0 0 0 GPRESSURE: 102000 0 0 0 0 0 0 0 0 0 PRESSAVG: 102000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102000 0 0 0 0 0 0 0 0 0 TIMING: 102000 CPU: 406.814, 0.00397559/step Wall: 406.814, 0.00397559/step, 0.439523 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 102000 646.7247 1960.9770 2014.5063 102.1649 -14.6074 -1071.1776 153.0076 0.0000 2820.2188 6611.8144 311.5010 3791.5956 6650.0021 306.7851 PRESSURE: 102100 0 0 0 0 0 0 0 0 0 GPRESSURE: 102100 0 0 0 0 0 0 0 0 0 PRESSAVG: 102100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102100 0 0 0 0 0 0 0 0 0 TIMING: 102100 CPU: 407.211, 0.0039725/step Wall: 407.211, 0.00397249/step, 0.43907 hours remaining, 109.511719 MB of memory in use. ENERGY: 102100 676.5415 1913.6847 2014.7469 103.8918 -14.7240 -1046.8737 164.7195 0.0000 2758.9907 6570.9775 304.7382 3811.9868 6603.4010 305.5862 PRESSURE: 102200 0 0 0 0 0 0 0 0 0 GPRESSURE: 102200 0 0 0 0 0 0 0 0 0 PRESSAVG: 102200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102200 0 0 0 0 0 0 0 0 0 TIMING: 102200 CPU: 407.609, 0.00398113/step Wall: 407.609, 0.00398114/step, 0.439916 hours remaining, 109.511719 MB of memory in use. ENERGY: 102200 671.0136 1836.6323 2012.2651 119.2376 -14.8943 -1000.0053 166.6492 0.0000 2756.5040 6547.4023 304.4635 3790.8983 6581.1192 304.6727 PRESSURE: 102300 0 0 0 0 0 0 0 0 0 GPRESSURE: 102300 0 0 0 0 0 0 0 0 0 PRESSAVG: 102300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102300 0 0 0 0 0 0 0 0 0 TIMING: 102300 CPU: 408.006, 0.00397003/step Wall: 408.006, 0.00397003/step, 0.438578 hours remaining, 109.511719 MB of memory in use. ENERGY: 102300 668.6428 1903.2418 2017.2822 106.8224 -13.0323 -1073.7408 163.9572 0.0000 2765.5504 6538.7238 305.4627 3773.1733 6571.3485 304.0033 PRESSURE: 102400 0 0 0 0 0 0 0 0 0 GPRESSURE: 102400 0 0 0 0 0 0 0 0 0 PRESSAVG: 102400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102400 0 0 0 0 0 0 0 0 0 TIMING: 102400 CPU: 408.403, 0.00397114/step Wall: 408.403, 0.00397114/step, 0.43859 hours remaining, 109.511719 MB of memory in use. ENERGY: 102400 685.4508 1945.4179 1976.7532 106.9711 -14.0127 -1071.4052 175.5947 0.0000 2733.3964 6538.1662 301.9113 3804.7697 6571.6576 302.4571 PRESSURE: 102500 0 0 0 0 0 0 0 0 0 GPRESSURE: 102500 0 0 0 0 0 0 0 0 0 PRESSAVG: 102500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102500 0 0 0 0 0 0 0 0 0 TIMING: 102500 CPU: 408.801, 0.00397606/step Wall: 408.801, 0.00397606/step, 0.439023 hours remaining, 109.511719 MB of memory in use. ENERGY: 102500 654.6116 1877.6532 2010.0752 111.7472 -14.2678 -997.9307 161.8593 0.0000 2769.0545 6572.8024 305.8498 3803.7480 6605.6780 302.1566 PRESSURE: 102600 0 0 0 0 0 0 0 0 0 GPRESSURE: 102600 0 0 0 0 0 0 0 0 0 PRESSAVG: 102600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102600 0 0 0 0 0 0 0 0 0 TIMING: 102600 CPU: 409.198, 0.00397076/step Wall: 409.198, 0.00397076/step, 0.438328 hours remaining, 109.511719 MB of memory in use. ENERGY: 102600 709.3817 1895.2464 2021.6449 107.1291 -15.0497 -1059.6440 179.6546 0.0000 2714.2195 6552.5826 299.7931 3838.3630 6584.6360 303.1717 PRESSURE: 102700 0 0 0 0 0 0 0 0 0 GPRESSURE: 102700 0 0 0 0 0 0 0 0 0 PRESSAVG: 102700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102700 0 0 0 0 0 0 0 0 0 TIMING: 102700 CPU: 409.596, 0.0039784/step Wall: 409.596, 0.0039784/step, 0.439061 hours remaining, 109.511719 MB of memory in use. ENERGY: 102700 675.2589 1960.1598 1985.6346 104.1350 -14.5750 -1068.5159 160.7496 0.0000 2700.5878 6503.4347 298.2874 3802.8469 6535.3861 301.5802 PRESSURE: 102800 0 0 0 0 0 0 0 0 0 GPRESSURE: 102800 0 0 0 0 0 0 0 0 0 PRESSAVG: 102800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102800 0 0 0 0 0 0 0 0 0 TIMING: 102800 CPU: 409.993, 0.00397201/step Wall: 409.993, 0.00397201/step, 0.438245 hours remaining, 109.511719 MB of memory in use. ENERGY: 102800 650.8396 1919.2074 1982.9191 107.1687 -14.1504 -1041.9287 174.6065 0.0000 2726.4570 6505.1191 301.1448 3778.6621 6542.2973 299.7637 PRESSURE: 102900 0 0 0 0 0 0 0 0 0 GPRESSURE: 102900 0 0 0 0 0 0 0 0 0 PRESSAVG: 102900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 102900 0 0 0 0 0 0 0 0 0 TIMING: 102900 CPU: 410.39, 0.00397296/step Wall: 410.39, 0.00397296/step, 0.43824 hours remaining, 109.511719 MB of memory in use. ENERGY: 102900 687.3485 1920.5704 2035.0035 94.3198 -13.7494 -1067.4778 165.6564 0.0000 2693.3794 6515.0508 297.4913 3821.6714 6547.4535 300.0970 PRESSURE: 103000 0 0 0 0 0 0 0 0 0 GPRESSURE: 103000 0 0 0 0 0 0 0 0 0 PRESSAVG: 103000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103000 0 0 0 0 0 0 0 0 0 TIMING: 103000 CPU: 410.788, 0.00397787/step Wall: 410.788, 0.00397787/step, 0.438671 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 103000 656.9381 1843.0665 1995.7182 104.1269 -15.3686 -1026.1504 158.3912 0.0000 2797.7656 6514.4875 309.0210 3716.7219 6551.6159 302.4821 PRESSURE: 103100 0 0 0 0 0 0 0 0 0 GPRESSURE: 103100 0 0 0 0 0 0 0 0 0 PRESSAVG: 103100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103100 0 0 0 0 0 0 0 0 0 TIMING: 103100 CPU: 411.185, 0.00397033/step Wall: 411.185, 0.00397033/step, 0.437729 hours remaining, 109.511719 MB of memory in use. ENERGY: 103100 660.0794 1887.4558 2016.1743 109.2847 -13.9933 -1045.9546 166.7317 0.0000 2733.3431 6513.1211 301.9054 3779.7780 6544.9131 300.7529 PRESSURE: 103200 0 0 0 0 0 0 0 0 0 GPRESSURE: 103200 0 0 0 0 0 0 0 0 0 PRESSAVG: 103200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103200 0 0 0 0 0 0 0 0 0 TIMING: 103200 CPU: 411.582, 0.00397396/step Wall: 411.582, 0.00397396/step, 0.438019 hours remaining, 109.511719 MB of memory in use. ENERGY: 103200 636.5345 1906.1563 2025.4456 100.0964 -13.9516 -1060.3080 174.0827 0.0000 2708.1635 6476.2195 299.1242 3768.0560 6510.1089 299.2690 PRESSURE: 103300 0 0 0 0 0 0 0 0 0 GPRESSURE: 103300 0 0 0 0 0 0 0 0 0 PRESSAVG: 103300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103300 0 0 0 0 0 0 0 0 0 TIMING: 103300 CPU: 411.98, 0.00397663/step Wall: 411.98, 0.00397662/step, 0.438201 hours remaining, 109.511719 MB of memory in use. ENERGY: 103300 640.9297 1864.8013 2018.8983 112.5073 -14.1338 -1034.9077 151.6010 0.0000 2717.5664 6457.2626 300.1628 3739.6961 6487.7542 297.7246 PRESSURE: 103400 0 0 0 0 0 0 0 0 0 GPRESSURE: 103400 0 0 0 0 0 0 0 0 0 PRESSAVG: 103400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103400 0 0 0 0 0 0 0 0 0 TIMING: 103400 CPU: 412.377, 0.00397262/step Wall: 412.377, 0.00397263/step, 0.437651 hours remaining, 109.511719 MB of memory in use. ENERGY: 103400 629.7399 1886.8886 2016.3834 111.2889 -12.9186 -1038.5113 175.1709 0.0000 2666.0779 6434.1196 294.4757 3768.0417 6466.8716 296.1558 PRESSURE: 103500 0 0 0 0 0 0 0 0 0 GPRESSURE: 103500 0 0 0 0 0 0 0 0 0 PRESSAVG: 103500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103500 0 0 0 0 0 0 0 0 0 TIMING: 103500 CPU: 412.775, 0.00398108/step Wall: 412.775, 0.00398108/step, 0.438472 hours remaining, 109.511719 MB of memory in use. ENERGY: 103500 659.9681 1879.1720 2000.8088 99.9946 -15.0200 -996.3037 145.3066 0.0000 2664.6976 6438.6241 294.3233 3773.9265 6471.0684 297.6956 PRESSURE: 103600 0 0 0 0 0 0 0 0 0 GPRESSURE: 103600 0 0 0 0 0 0 0 0 0 PRESSAVG: 103600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103600 0 0 0 0 0 0 0 0 0 TIMING: 103600 CPU: 413.172, 0.00397141/step Wall: 413.172, 0.00397141/step, 0.437296 hours remaining, 109.511719 MB of memory in use. ENERGY: 103600 639.7334 1875.8478 2018.3938 101.0528 -14.1300 -1011.1785 159.6190 0.0000 2694.9054 6464.2438 297.6598 3769.3383 6498.9048 297.8034 PRESSURE: 103700 0 0 0 0 0 0 0 0 0 GPRESSURE: 103700 0 0 0 0 0 0 0 0 0 PRESSAVG: 103700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103700 0 0 0 0 0 0 0 0 0 TIMING: 103700 CPU: 413.57, 0.00397297/step Wall: 413.57, 0.00397297/step, 0.437358 hours remaining, 109.511719 MB of memory in use. ENERGY: 103700 627.3809 1876.1748 2016.9248 91.9908 -14.4690 -1042.1406 163.5966 0.0000 2743.8373 6463.2955 303.0645 3719.4581 6496.8504 299.1489 PRESSURE: 103800 0 0 0 0 0 0 0 0 0 GPRESSURE: 103800 0 0 0 0 0 0 0 0 0 PRESSAVG: 103800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103800 0 0 0 0 0 0 0 0 0 TIMING: 103800 CPU: 413.967, 0.00397691/step Wall: 413.967, 0.00397691/step, 0.437681 hours remaining, 109.511719 MB of memory in use. ENERGY: 103800 601.6087 1914.5890 1996.5579 107.0941 -14.4230 -1040.4848 169.3177 0.0000 2716.5405 6450.8001 300.0495 3734.2596 6484.9603 298.8000 PRESSURE: 103900 0 0 0 0 0 0 0 0 0 GPRESSURE: 103900 0 0 0 0 0 0 0 0 0 PRESSAVG: 103900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 103900 0 0 0 0 0 0 0 0 0 TIMING: 103900 CPU: 414.365, 0.00397153/step Wall: 414.365, 0.00397153/step, 0.436979 hours remaining, 109.511719 MB of memory in use. ENERGY: 103900 639.0621 1877.6809 1991.4379 97.6487 -14.5151 -1023.5329 159.2212 0.0000 2730.8656 6457.8685 301.6317 3727.0029 6491.8325 298.1936 PRESSURE: 104000 0 0 0 0 0 0 0 0 0 GPRESSURE: 104000 0 0 0 0 0 0 0 0 0 PRESSAVG: 104000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104000 0 0 0 0 0 0 0 0 0 TIMING: 104000 CPU: 414.762, 0.00397794/step Wall: 414.762, 0.00397794/step, 0.437573 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 104000 589.8200 1930.8447 2008.1538 100.0690 -15.9464 -1032.7960 156.5068 0.0000 2724.2215 6460.8734 300.8979 3736.6519 6497.3730 299.4015 PRESSURE: 104100 0 0 0 0 0 0 0 0 0 GPRESSURE: 104100 0 0 0 0 0 0 0 0 0 PRESSAVG: 104100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104100 0 0 0 0 0 0 0 0 0 TIMING: 104100 CPU: 415.16, 0.00397175/step Wall: 415.16, 0.00397175/step, 0.436782 hours remaining, 109.511719 MB of memory in use. ENERGY: 104100 658.6778 1873.9372 1976.5580 103.2700 -15.4708 -1001.8809 170.7920 0.0000 2688.2978 6454.1812 296.9300 3765.8834 6484.4981 298.7288 PRESSURE: 104200 0 0 0 0 0 0 0 0 0 GPRESSURE: 104200 0 0 0 0 0 0 0 0 0 PRESSAVG: 104200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104200 0 0 0 0 0 0 0 0 0 TIMING: 104200 CPU: 415.557, 0.00397393/step Wall: 415.557, 0.00397393/step, 0.436912 hours remaining, 109.511719 MB of memory in use. ENERGY: 104200 654.5180 1857.4345 2004.0397 108.6073 -14.3221 -1030.6986 165.9754 0.0000 2683.5020 6429.0563 296.4003 3745.5543 6463.0468 298.1238 LDB: ============= START OF LOAD BALANCING ============== 418.332 LDB: ============== END OF LOAD BALANCING =============== 418.332 LDB: =============== DONE WITH MIGRATION ================ 418.332 PRESSURE: 104300 0 0 0 0 0 0 0 0 0 GPRESSURE: 104300 0 0 0 0 0 0 0 0 0 PRESSAVG: 104300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104300 0 0 0 0 0 0 0 0 0 TIMING: 104300 CPU: 415.955, 0.00397779/step Wall: 415.955, 0.00397778/step, 0.437224 hours remaining, 109.511719 MB of memory in use. ENERGY: 104300 623.2537 1868.2116 2004.4701 109.0786 -14.9267 -1064.8067 164.2238 0.0000 2736.4851 6425.9894 302.2524 3689.5044 6460.3609 296.1952 LDB: ============= START OF LOAD BALANCING ============== 418.73 LDB: ============== END OF LOAD BALANCING =============== 418.73 LDB: =============== DONE WITH MIGRATION ================ 418.73 PRESSURE: 104400 0 0 0 0 0 0 0 0 0 GPRESSURE: 104400 0 0 0 0 0 0 0 0 0 PRESSAVG: 104400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104400 0 0 0 0 0 0 0 0 0 TIMING: 104400 CPU: 416.353, 0.00398031/step Wall: 416.353, 0.00398032/step, 0.437393 hours remaining, 109.511719 MB of memory in use. ENERGY: 104400 624.0379 1890.1326 2015.3277 116.6088 -14.9055 -1059.7346 177.0197 0.0000 2700.3265 6448.8130 298.2586 3748.4865 6479.9813 297.5649 PRESSURE: 104500 0 0 0 0 0 0 0 0 0 GPRESSURE: 104500 0 0 0 0 0 0 0 0 0 PRESSAVG: 104500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104500 0 0 0 0 0 0 0 0 0 TIMING: 104500 CPU: 416.75, 0.0039772/step Wall: 416.75, 0.0039772/step, 0.436939 hours remaining, 109.511719 MB of memory in use. ENERGY: 104500 642.3451 1887.5071 2019.2978 97.4380 -13.6211 -1015.4673 177.4028 0.0000 2701.5756 6496.4780 298.3966 3794.9024 6529.2227 299.3411 PRESSURE: 104600 0 0 0 0 0 0 0 0 0 GPRESSURE: 104600 0 0 0 0 0 0 0 0 0 PRESSAVG: 104600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104600 0 0 0 0 0 0 0 0 0 TIMING: 104600 CPU: 417.147, 0.00396886/step Wall: 417.147, 0.00396886/step, 0.435913 hours remaining, 109.511719 MB of memory in use. ENERGY: 104600 668.3717 1900.0388 2009.5805 111.7349 -13.8831 -1054.0859 181.8313 0.0000 2720.1422 6523.7303 300.4473 3803.5882 6557.0552 301.5524 PRESSURE: 104700 0 0 0 0 0 0 0 0 0 GPRESSURE: 104700 0 0 0 0 0 0 0 0 0 PRESSAVG: 104700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104700 0 0 0 0 0 0 0 0 0 TIMING: 104700 CPU: 417.545, 0.00397275/step Wall: 417.545, 0.00397275/step, 0.43623 hours remaining, 109.511719 MB of memory in use. ENERGY: 104700 657.5596 1841.0708 2028.4348 119.8340 -14.4971 -1028.9290 174.1080 0.0000 2772.6150 6550.1961 306.2431 3777.5811 6585.4235 303.1571 PRESSURE: 104800 0 0 0 0 0 0 0 0 0 GPRESSURE: 104800 0 0 0 0 0 0 0 0 0 PRESSAVG: 104800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104800 0 0 0 0 0 0 0 0 0 TIMING: 104800 CPU: 417.942, 0.00397742/step Wall: 417.942, 0.00397742/step, 0.436632 hours remaining, 109.511719 MB of memory in use. ENERGY: 104800 645.1538 1881.5450 2013.5651 107.8136 -14.3870 -977.1302 169.9680 0.0000 2731.6060 6558.1342 301.7135 3826.5283 6593.8114 304.7082 PRESSURE: 104900 0 0 0 0 0 0 0 0 0 GPRESSURE: 104900 0 0 0 0 0 0 0 0 0 PRESSAVG: 104900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 104900 0 0 0 0 0 0 0 0 0 TIMING: 104900 CPU: 418.34, 0.00397233/step Wall: 418.34, 0.00397233/step, 0.435963 hours remaining, 109.511719 MB of memory in use. ENERGY: 104900 673.1614 1861.2788 1999.4976 105.4363 -15.1284 -1022.4831 174.1809 0.0000 2738.2304 6514.1739 302.4452 3775.9435 6549.1215 301.5317 PRESSURE: 105000 0 0 0 0 0 0 0 0 0 GPRESSURE: 105000 0 0 0 0 0 0 0 0 0 PRESSAVG: 105000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105000 0 0 0 0 0 0 0 0 0 TIMING: 105000 CPU: 418.737, 0.00397766/step Wall: 418.737, 0.00397766/step, 0.436438 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 105000 664.2516 1898.9502 2006.2734 104.6330 -14.1477 -1012.8121 152.5529 0.0000 2721.9444 6521.6457 300.6463 3799.7013 6555.4488 301.4429 PRESSURE: 105100 0 0 0 0 0 0 0 0 0 GPRESSURE: 105100 0 0 0 0 0 0 0 0 0 PRESSAVG: 105100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105100 0 0 0 0 0 0 0 0 0 TIMING: 105100 CPU: 419.134, 0.00396952/step Wall: 419.134, 0.00396952/step, 0.435434 hours remaining, 109.511719 MB of memory in use. ENERGY: 105100 666.8792 1899.4001 2009.3706 114.7123 -14.5831 -1044.7934 180.4815 0.0000 2724.9384 6536.4055 300.9770 3811.4671 6569.0804 301.2884 PRESSURE: 105200 0 0 0 0 0 0 0 0 0 GPRESSURE: 105200 0 0 0 0 0 0 0 0 0 PRESSAVG: 105200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105200 0 0 0 0 0 0 0 0 0 TIMING: 105200 CPU: 419.532, 0.00397462/step Wall: 419.532, 0.00397462/step, 0.435883 hours remaining, 109.511719 MB of memory in use. ENERGY: 105200 653.4626 1848.6481 2004.0216 106.3843 -13.6735 -1041.4592 172.4822 0.0000 2811.5977 6541.4640 310.5488 3729.8662 6580.8706 303.5563 PRESSURE: 105300 0 0 0 0 0 0 0 0 0 GPRESSURE: 105300 0 0 0 0 0 0 0 0 0 PRESSAVG: 105300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105300 0 0 0 0 0 0 0 0 0 TIMING: 105300 CPU: 419.93, 0.00397707/step Wall: 419.93, 0.00397707/step, 0.436042 hours remaining, 109.511719 MB of memory in use. ENERGY: 105300 643.9736 1872.6041 1998.8459 102.6047 -14.8352 -1004.4451 163.3539 0.0000 2799.4032 6561.5051 309.2019 3762.1019 6596.9343 304.3306 PRESSURE: 105400 0 0 0 0 0 0 0 0 0 GPRESSURE: 105400 0 0 0 0 0 0 0 0 0 PRESSAVG: 105400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105400 0 0 0 0 0 0 0 0 0 TIMING: 105400 CPU: 420.327, 0.00397214/step Wall: 420.327, 0.00397214/step, 0.435391 hours remaining, 109.511719 MB of memory in use. ENERGY: 105400 669.7668 1920.1521 2012.3307 106.4911 -13.6051 -1026.5095 165.2260 0.0000 2724.5668 6558.4189 300.9360 3833.8521 6588.1611 304.5556 PRESSURE: 105500 0 0 0 0 0 0 0 0 0 GPRESSURE: 105500 0 0 0 0 0 0 0 0 0 PRESSAVG: 105500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105500 0 0 0 0 0 0 0 0 0 TIMING: 105500 CPU: 420.725, 0.00397805/step Wall: 420.725, 0.00397805/step, 0.435928 hours remaining, 109.511719 MB of memory in use. ENERGY: 105500 677.7121 1912.9315 2033.8614 100.7511 -14.9648 -1037.4509 175.5313 0.0000 2743.5239 6591.8957 303.0299 3848.3718 6625.0001 306.0324 PRESSURE: 105600 0 0 0 0 0 0 0 0 0 GPRESSURE: 105600 0 0 0 0 0 0 0 0 0 PRESSAVG: 105600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105600 0 0 0 0 0 0 0 0 0 TIMING: 105600 CPU: 421.122, 0.00397301/step Wall: 421.122, 0.00397301/step, 0.435266 hours remaining, 109.511719 MB of memory in use. ENERGY: 105600 671.5806 1926.6249 2019.5422 116.7844 -14.0874 -1046.7128 163.7981 0.0000 2760.3644 6597.8946 304.8899 3837.5301 6630.2729 307.1838 PRESSURE: 105700 0 0 0 0 0 0 0 0 0 GPRESSURE: 105700 0 0 0 0 0 0 0 0 0 PRESSAVG: 105700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105700 0 0 0 0 0 0 0 0 0 TIMING: 105700 CPU: 421.519, 0.00397613/step Wall: 421.519, 0.00397613/step, 0.435496 hours remaining, 109.511719 MB of memory in use. ENERGY: 105700 659.3863 1917.3411 2035.7598 109.9864 -14.4754 -1025.8952 154.5977 0.0000 2713.4802 6550.1809 299.7115 3836.7007 6583.7813 304.1681 PRESSURE: 105800 0 0 0 0 0 0 0 0 0 GPRESSURE: 105800 0 0 0 0 0 0 0 0 0 PRESSAVG: 105800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105800 0 0 0 0 0 0 0 0 0 TIMING: 105800 CPU: 421.917, 0.00397987/step Wall: 421.917, 0.00397987/step, 0.435796 hours remaining, 109.511719 MB of memory in use. ENERGY: 105800 667.1185 1909.3106 2021.1433 120.5916 -14.0019 -1058.4034 158.3952 0.0000 2740.8017 6544.9556 302.7292 3804.1539 6577.3322 302.5789 PRESSURE: 105900 0 0 0 0 0 0 0 0 0 GPRESSURE: 105900 0 0 0 0 0 0 0 0 0 PRESSAVG: 105900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 105900 0 0 0 0 0 0 0 0 0 TIMING: 105900 CPU: 422.315, 0.00397439/step Wall: 422.315, 0.00397439/step, 0.435085 hours remaining, 109.511719 MB of memory in use. ENERGY: 105900 654.6732 1891.6301 2037.1659 110.2806 -13.4349 -1063.7698 180.4100 0.0000 2751.7688 6548.7240 303.9405 3796.9552 6585.3305 304.3421 PRESSURE: 106000 0 0 0 0 0 0 0 0 0 GPRESSURE: 106000 0 0 0 0 0 0 0 0 0 PRESSAVG: 106000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106000 0 0 0 0 0 0 0 0 0 TIMING: 106000 CPU: 422.713, 0.00397779/step Wall: 422.713, 0.00397779/step, 0.435347 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 106000 671.1618 1920.9303 2034.1022 114.5343 -14.1319 -1032.1028 150.4360 0.0000 2669.7182 6514.6480 294.8778 3844.9299 6545.2219 301.7508 PRESSURE: 106100 0 0 0 0 0 0 0 0 0 GPRESSURE: 106100 0 0 0 0 0 0 0 0 0 PRESSAVG: 106100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106100 0 0 0 0 0 0 0 0 0 TIMING: 106100 CPU: 423.11, 0.00397297/step Wall: 423.11, 0.00397297/step, 0.434709 hours remaining, 109.511719 MB of memory in use. ENERGY: 106100 679.9344 1910.3551 2020.0533 111.1368 -12.9932 -1060.5405 177.4964 0.0000 2727.2010 6552.6433 301.2269 3825.4423 6578.3859 301.1425 PRESSURE: 106200 0 0 0 0 0 0 0 0 0 GPRESSURE: 106200 0 0 0 0 0 0 0 0 0 PRESSAVG: 106200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106200 0 0 0 0 0 0 0 0 0 TIMING: 106200 CPU: 423.508, 0.00397621/step Wall: 423.508, 0.00397621/step, 0.434953 hours remaining, 109.511719 MB of memory in use. ENERGY: 106200 667.9261 1895.4156 2015.7455 106.1903 -13.7007 -1026.5777 171.1324 0.0000 2726.0965 6542.2279 301.1050 3816.1314 6576.2870 302.4390 PRESSURE: 106300 0 0 0 0 0 0 0 0 0 GPRESSURE: 106300 0 0 0 0 0 0 0 0 0 PRESSAVG: 106300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106300 0 0 0 0 0 0 0 0 0 TIMING: 106300 CPU: 423.905, 0.00397888/step Wall: 423.905, 0.00397888/step, 0.435135 hours remaining, 109.511719 MB of memory in use. ENERGY: 106300 643.8417 1931.1422 2026.9579 111.7416 -15.3641 -1057.4576 158.0525 0.0000 2750.4237 6549.3379 303.7920 3798.9142 6581.3778 303.8508 PRESSURE: 106400 0 0 0 0 0 0 0 0 0 GPRESSURE: 106400 0 0 0 0 0 0 0 0 0 PRESSAVG: 106400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106400 0 0 0 0 0 0 0 0 0 TIMING: 106400 CPU: 424.303, 0.00397265/step Wall: 424.303, 0.00397265/step, 0.434343 hours remaining, 109.511719 MB of memory in use. ENERGY: 106400 667.8215 1878.9262 2016.5082 104.8956 -14.6014 -1018.5341 156.7151 0.0000 2755.3936 6547.1248 304.3409 3791.7312 6579.2034 301.7384 PRESSURE: 106500 0 0 0 0 0 0 0 0 0 GPRESSURE: 106500 0 0 0 0 0 0 0 0 0 PRESSAVG: 106500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106500 0 0 0 0 0 0 0 0 0 TIMING: 106500 CPU: 424.701, 0.00398112/step Wall: 424.701, 0.00398112/step, 0.435159 hours remaining, 109.511719 MB of memory in use. ENERGY: 106500 632.2673 1881.0364 2063.0348 114.7774 -13.1578 -1041.6198 171.2743 0.0000 2750.6935 6558.3061 303.8218 3807.6126 6593.5667 302.9470 PRESSURE: 106600 0 0 0 0 0 0 0 0 0 GPRESSURE: 106600 0 0 0 0 0 0 0 0 0 PRESSAVG: 106600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106600 0 0 0 0 0 0 0 0 0 TIMING: 106600 CPU: 425.098, 0.0039725/step Wall: 425.098, 0.0039725/step, 0.434106 hours remaining, 109.511719 MB of memory in use. ENERGY: 106600 695.0444 1871.5875 1984.7838 119.7346 -14.2477 -1021.3928 169.7721 0.0000 2741.9282 6547.2102 302.8536 3805.2819 6581.9532 302.8296 PRESSURE: 106700 0 0 0 0 0 0 0 0 0 GPRESSURE: 106700 0 0 0 0 0 0 0 0 0 PRESSAVG: 106700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106700 0 0 0 0 0 0 0 0 0 TIMING: 106700 CPU: 425.496, 0.00397493/step Wall: 425.496, 0.00397493/step, 0.434261 hours remaining, 109.511719 MB of memory in use. ENERGY: 106700 670.8014 1895.3200 2007.0943 99.1684 -14.7192 -1049.3141 161.2328 0.0000 2751.5236 6521.1074 303.9135 3769.5837 6555.7053 300.4360 PRESSURE: 106800 0 0 0 0 0 0 0 0 0 GPRESSURE: 106800 0 0 0 0 0 0 0 0 0 PRESSAVG: 106800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106800 0 0 0 0 0 0 0 0 0 TIMING: 106800 CPU: 425.893, 0.00397877/step Wall: 425.893, 0.00397877/step, 0.43457 hours remaining, 109.511719 MB of memory in use. ENERGY: 106800 639.4959 1845.4121 2006.1945 118.1189 -13.7799 -1063.9823 159.7114 0.0000 2806.5975 6497.7681 309.9965 3691.1706 6536.1233 302.3260 PRESSURE: 106900 0 0 0 0 0 0 0 0 0 GPRESSURE: 106900 0 0 0 0 0 0 0 0 0 PRESSAVG: 106900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 106900 0 0 0 0 0 0 0 0 0 TIMING: 106900 CPU: 426.291, 0.00397367/step Wall: 426.291, 0.00397367/step, 0.433903 hours remaining, 109.511719 MB of memory in use. ENERGY: 106900 697.7564 1892.7179 2024.5592 101.8006 -15.7151 -1035.6439 163.5174 0.0000 2676.1853 6505.1779 295.5921 3828.9926 6539.3610 301.4938 PRESSURE: 107000 0 0 0 0 0 0 0 0 0 GPRESSURE: 107000 0 0 0 0 0 0 0 0 0 PRESSAVG: 107000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107000 0 0 0 0 0 0 0 0 0 TIMING: 107000 CPU: 426.689, 0.00397814/step Wall: 426.689, 0.00397814/step, 0.43428 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 107000 665.6095 1897.1811 2008.4968 94.8395 -13.3700 -1043.8602 168.7149 0.0000 2716.2786 6493.8902 300.0205 3777.6116 6527.5746 298.8279 PRESSURE: 107100 0 0 0 0 0 0 0 0 0 GPRESSURE: 107100 0 0 0 0 0 0 0 0 0 PRESSAVG: 107100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107100 0 0 0 0 0 0 0 0 0 TIMING: 107100 CPU: 427.086, 0.00397155/step Wall: 427.086, 0.00397154/step, 0.43345 hours remaining, 109.511719 MB of memory in use. ENERGY: 107100 619.2070 1877.0848 2044.8097 95.8889 -13.8795 -1034.5150 166.4850 0.0000 2730.5714 6485.6522 301.5992 3755.0808 6519.2486 299.6887 PRESSURE: 107200 0 0 0 0 0 0 0 0 0 GPRESSURE: 107200 0 0 0 0 0 0 0 0 0 PRESSAVG: 107200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107200 0 0 0 0 0 0 0 0 0 TIMING: 107200 CPU: 427.483, 0.0039749/step Wall: 427.483, 0.00397491/step, 0.433707 hours remaining, 109.511719 MB of memory in use. ENERGY: 107200 649.8800 1868.2701 2028.7369 103.2800 -14.7296 -1032.1682 166.2610 0.0000 2731.6928 6501.2230 301.7231 3769.5303 6536.4107 299.6336 PRESSURE: 107300 0 0 0 0 0 0 0 0 0 GPRESSURE: 107300 0 0 0 0 0 0 0 0 0 PRESSAVG: 107300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107300 0 0 0 0 0 0 0 0 0 TIMING: 107300 CPU: 427.881, 0.0039787/step Wall: 427.881, 0.0039787/step, 0.43401 hours remaining, 109.511719 MB of memory in use. ENERGY: 107300 632.1363 1892.8783 2044.0638 102.3033 -14.1977 -1037.0207 162.5509 0.0000 2713.1590 6495.8733 299.6760 3782.7143 6532.0554 300.7389 PRESSURE: 107400 0 0 0 0 0 0 0 0 0 GPRESSURE: 107400 0 0 0 0 0 0 0 0 0 PRESSAVG: 107400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107400 0 0 0 0 0 0 0 0 0 TIMING: 107400 CPU: 428.278, 0.00397298/step Wall: 428.278, 0.00397298/step, 0.433275 hours remaining, 109.511719 MB of memory in use. ENERGY: 107400 682.1428 1911.2489 2023.3259 95.0320 -13.3372 -1061.5846 166.1967 0.0000 2680.4251 6483.4496 296.0604 3803.0244 6514.3666 300.3577 PRESSURE: 107500 0 0 0 0 0 0 0 0 0 GPRESSURE: 107500 0 0 0 0 0 0 0 0 0 PRESSAVG: 107500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107500 0 0 0 0 0 0 0 0 0 TIMING: 107500 CPU: 428.676, 0.00398053/step Wall: 428.676, 0.00398053/step, 0.433989 hours remaining, 109.511719 MB of memory in use. ENERGY: 107500 651.9625 1897.9105 2009.5544 113.9691 -12.7575 -1054.7498 172.0216 0.0000 2730.4245 6508.3353 301.5830 3777.9108 6540.8431 299.0783 PRESSURE: 107600 0 0 0 0 0 0 0 0 0 GPRESSURE: 107600 0 0 0 0 0 0 0 0 0 PRESSAVG: 107600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107600 0 0 0 0 0 0 0 0 0 TIMING: 107600 CPU: 429.074, 0.00397312/step Wall: 429.074, 0.00397312/step, 0.43307 hours remaining, 109.511719 MB of memory in use. ENERGY: 107600 647.5258 1928.4369 2037.4778 100.4522 -14.3038 -1029.6195 165.1266 0.0000 2663.8737 6498.9698 294.2323 3835.0961 6531.1112 298.1665 PRESSURE: 107700 0 0 0 0 0 0 0 0 0 GPRESSURE: 107700 0 0 0 0 0 0 0 0 0 PRESSAVG: 107700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107700 0 0 0 0 0 0 0 0 0 TIMING: 107700 CPU: 429.471, 0.00397333/step Wall: 429.471, 0.00397333/step, 0.432982 hours remaining, 109.511719 MB of memory in use. ENERGY: 107700 625.3808 1904.7004 2035.6354 105.1505 -14.7347 -1043.2439 163.0172 0.0000 2735.3036 6511.2093 302.1219 3775.9057 6546.7910 300.6780 PRESSURE: 107800 0 0 0 0 0 0 0 0 0 GPRESSURE: 107800 0 0 0 0 0 0 0 0 0 PRESSAVG: 107800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107800 0 0 0 0 0 0 0 0 0 TIMING: 107800 CPU: 429.869, 0.00397863/step Wall: 429.869, 0.00397863/step, 0.43345 hours remaining, 109.511719 MB of memory in use. ENERGY: 107800 615.3667 1977.0039 2039.3061 107.0644 -15.8149 -1030.1329 169.0964 0.0000 2680.3139 6542.2036 296.0481 3861.8897 6572.3081 301.3310 PRESSURE: 107900 0 0 0 0 0 0 0 0 0 GPRESSURE: 107900 0 0 0 0 0 0 0 0 0 PRESSAVG: 107900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 107900 0 0 0 0 0 0 0 0 0 TIMING: 107900 CPU: 430.266, 0.00397456/step Wall: 430.266, 0.00397456/step, 0.432896 hours remaining, 109.511719 MB of memory in use. ENERGY: 107900 671.1771 1955.9195 2032.9840 99.0860 -14.1970 -1064.6640 161.9113 0.0000 2700.8119 6543.0289 298.3122 3842.2169 6575.8567 302.4159 PRESSURE: 108000 0 0 0 0 0 0 0 0 0 GPRESSURE: 108000 0 0 0 0 0 0 0 0 0 PRESSAVG: 108000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108000 0 0 0 0 0 0 0 0 0 TIMING: 108000 CPU: 430.667, 0.0040021/step Wall: 430.667, 0.0040021/step, 0.435784 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 108000 646.5184 1913.6723 2033.5473 106.0423 -14.6613 -1040.0765 153.5602 0.0000 2753.3661 6551.9688 304.1170 3798.6027 6584.0487 301.5390 PRESSURE: 108100 0 0 0 0 0 0 0 0 0 GPRESSURE: 108100 0 0 0 0 0 0 0 0 0 PRESSAVG: 108100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108100 0 0 0 0 0 0 0 0 0 TIMING: 108100 CPU: 431.066, 0.00399092/step Wall: 431.066, 0.00399092/step, 0.434456 hours remaining, 109.511719 MB of memory in use. ENERGY: 108100 652.7733 1935.6831 2015.6458 84.7709 -14.4961 -1029.5904 156.1659 0.0000 2752.4852 6553.4377 304.0197 3800.9525 6585.5995 302.5780 PRESSURE: 108200 0 0 0 0 0 0 0 0 0 GPRESSURE: 108200 0 0 0 0 0 0 0 0 0 PRESSAVG: 108200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108200 0 0 0 0 0 0 0 0 0 TIMING: 108200 CPU: 431.464, 0.00397739/step Wall: 431.464, 0.00397739/step, 0.432873 hours remaining, 109.511719 MB of memory in use. ENERGY: 108200 653.4651 1880.4897 2037.7832 126.6401 -14.6167 -1076.9099 155.9445 0.0000 2784.3738 6547.1698 307.5418 3762.7960 6581.5834 304.1513 LDB: ============= START OF LOAD BALANCING ============== 434.239 LDB: ============== END OF LOAD BALANCING =============== 434.239 LDB: =============== DONE WITH MIGRATION ================ 434.24 PRESSURE: 108300 0 0 0 0 0 0 0 0 0 GPRESSURE: 108300 0 0 0 0 0 0 0 0 0 PRESSAVG: 108300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108300 0 0 0 0 0 0 0 0 0 TIMING: 108300 CPU: 431.862, 0.00398451/step Wall: 431.862, 0.00398451/step, 0.433537 hours remaining, 109.511719 MB of memory in use. ENERGY: 108300 656.4082 1877.4078 2057.4913 109.7390 -14.8060 -1058.7530 163.0012 0.0000 2752.0472 6542.5357 303.9713 3790.4885 6577.2660 304.3144 LDB: ============= START OF LOAD BALANCING ============== 434.638 LDB: ============== END OF LOAD BALANCING =============== 434.638 LDB: =============== DONE WITH MIGRATION ================ 434.638 PRESSURE: 108400 0 0 0 0 0 0 0 0 0 GPRESSURE: 108400 0 0 0 0 0 0 0 0 0 PRESSAVG: 108400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108400 0 0 0 0 0 0 0 0 0 TIMING: 108400 CPU: 432.26, 0.00398469/step Wall: 432.26, 0.00398469/step, 0.433446 hours remaining, 109.511719 MB of memory in use. ENERGY: 108400 650.4163 1915.1010 2050.2740 102.2602 -13.6858 -1045.7507 164.8094 0.0000 2666.6700 6490.0944 294.5411 3823.4244 6524.9239 300.3395 PRESSURE: 108500 0 0 0 0 0 0 0 0 0 GPRESSURE: 108500 0 0 0 0 0 0 0 0 0 PRESSAVG: 108500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108500 0 0 0 0 0 0 0 0 0 TIMING: 108500 CPU: 432.659, 0.00398168/step Wall: 432.659, 0.00398167/step, 0.433006 hours remaining, 109.511719 MB of memory in use. ENERGY: 108500 639.6794 1969.8931 1993.0626 101.0482 -14.1362 -1036.4626 172.0954 0.0000 2681.9391 6507.1190 296.2276 3825.1799 6538.5533 298.9830 PRESSURE: 108600 0 0 0 0 0 0 0 0 0 GPRESSURE: 108600 0 0 0 0 0 0 0 0 0 PRESSAVG: 108600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108600 0 0 0 0 0 0 0 0 0 TIMING: 108600 CPU: 433.056, 0.00397447/step Wall: 433.056, 0.00397448/step, 0.432114 hours remaining, 109.511719 MB of memory in use. ENERGY: 108600 613.8898 1934.6871 1992.1540 103.4863 -14.1244 -995.0835 156.8801 0.0000 2709.1217 6501.0110 299.2300 3791.8893 6533.0230 301.8876 PRESSURE: 108700 0 0 0 0 0 0 0 0 0 GPRESSURE: 108700 0 0 0 0 0 0 0 0 0 PRESSAVG: 108700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108700 0 0 0 0 0 0 0 0 0 TIMING: 108700 CPU: 433.454, 0.00397471/step Wall: 433.454, 0.00397471/step, 0.432029 hours remaining, 109.511719 MB of memory in use. ENERGY: 108700 626.5154 1916.2012 1991.6777 107.6549 -12.3537 -1003.9808 169.1544 0.0000 2748.0441 6542.9132 303.5291 3794.8691 6578.7853 301.3676 PRESSURE: 108800 0 0 0 0 0 0 0 0 0 GPRESSURE: 108800 0 0 0 0 0 0 0 0 0 PRESSAVG: 108800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108800 0 0 0 0 0 0 0 0 0 TIMING: 108800 CPU: 433.852, 0.00398116/step Wall: 433.852, 0.00398116/step, 0.43262 hours remaining, 109.511719 MB of memory in use. ENERGY: 108800 638.4625 1945.1214 2010.3422 103.9206 -13.7130 -1063.3287 165.5488 0.0000 2773.1579 6559.5118 306.3030 3786.3538 6591.8724 302.7463 PRESSURE: 108900 0 0 0 0 0 0 0 0 0 GPRESSURE: 108900 0 0 0 0 0 0 0 0 0 PRESSAVG: 108900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 108900 0 0 0 0 0 0 0 0 0 TIMING: 108900 CPU: 434.249, 0.00397263/step Wall: 434.249, 0.00397263/step, 0.431582 hours remaining, 109.511719 MB of memory in use. ENERGY: 108900 641.2314 1948.2813 2014.3681 105.6776 -14.2381 -1017.9470 159.8120 0.0000 2719.1811 6556.3664 300.3411 3837.1854 6590.0848 302.9596 PRESSURE: 109000 0 0 0 0 0 0 0 0 0 GPRESSURE: 109000 0 0 0 0 0 0 0 0 0 PRESSAVG: 109000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109000 0 0 0 0 0 0 0 0 0 TIMING: 109000 CPU: 434.647, 0.0039841/step Wall: 434.647, 0.0039841/step, 0.432718 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 109000 686.8538 1954.8181 2007.5851 88.8072 -14.5068 -1052.7638 166.0211 0.0000 2771.8048 6608.6196 306.1536 3836.8148 6643.9431 305.0504 PRESSURE: 109100 0 0 0 0 0 0 0 0 0 GPRESSURE: 109100 0 0 0 0 0 0 0 0 0 PRESSAVG: 109100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109100 0 0 0 0 0 0 0 0 0 TIMING: 109100 CPU: 435.044, 0.00396793/step Wall: 435.044, 0.00396793/step, 0.430851 hours remaining, 109.511719 MB of memory in use. ENERGY: 109100 676.3630 1909.4439 2034.0491 111.1137 -14.4841 -1022.3363 158.7720 0.0000 2748.0798 6601.0012 303.5331 3852.9213 6634.4884 305.1934 PRESSURE: 109200 0 0 0 0 0 0 0 0 0 GPRESSURE: 109200 0 0 0 0 0 0 0 0 0 PRESSAVG: 109200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109200 0 0 0 0 0 0 0 0 0 TIMING: 109200 CPU: 435.441, 0.003972/step Wall: 435.441, 0.003972/step, 0.431183 hours remaining, 109.511719 MB of memory in use. ENERGY: 109200 683.8102 1872.7051 2004.6077 111.4659 -14.5897 -1027.2535 148.3597 0.0000 2781.9523 6561.0577 307.2744 3779.1054 6595.5544 305.1438 PRESSURE: 109300 0 0 0 0 0 0 0 0 0 GPRESSURE: 109300 0 0 0 0 0 0 0 0 0 PRESSAVG: 109300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109300 0 0 0 0 0 0 0 0 0 TIMING: 109300 CPU: 435.841, 0.00399922/step Wall: 435.841, 0.00399922/step, 0.434027 hours remaining, 109.511719 MB of memory in use. ENERGY: 109300 627.7210 1915.0029 2041.5713 96.2503 -13.0292 -1078.7285 174.0121 0.0000 2802.7075 6565.5074 309.5668 3762.7999 6602.2443 303.3439 PRESSURE: 109400 0 0 0 0 0 0 0 0 0 GPRESSURE: 109400 0 0 0 0 0 0 0 0 0 PRESSAVG: 109400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109400 0 0 0 0 0 0 0 0 0 TIMING: 109400 CPU: 436.238, 0.00396932/step Wall: 436.238, 0.00396932/step, 0.430671 hours remaining, 109.511719 MB of memory in use. ENERGY: 109400 676.0430 1884.7343 2006.7997 99.6675 -14.1308 -1031.2580 159.7667 0.0000 2764.5279 6546.1504 305.3498 3781.6225 6582.3237 302.6262 PRESSURE: 109500 0 0 0 0 0 0 0 0 0 GPRESSURE: 109500 0 0 0 0 0 0 0 0 0 PRESSAVG: 109500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109500 0 0 0 0 0 0 0 0 0 TIMING: 109500 CPU: 436.635, 0.0039683/step Wall: 436.635, 0.0039683/step, 0.43045 hours remaining, 109.511719 MB of memory in use. ENERGY: 109500 651.6043 1975.0477 2001.9269 103.0120 -12.3257 -1073.9233 172.2291 0.0000 2774.7008 6592.2719 306.4734 3817.5711 6625.0929 306.0954 PRESSURE: 109600 0 0 0 0 0 0 0 0 0 GPRESSURE: 109600 0 0 0 0 0 0 0 0 0 PRESSAVG: 109600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109600 0 0 0 0 0 0 0 0 0 TIMING: 109600 CPU: 437.033, 0.00398139/step Wall: 437.033, 0.00398139/step, 0.43176 hours remaining, 109.511719 MB of memory in use. ENERGY: 109600 635.6493 1913.2955 2047.0902 110.8403 -13.5712 -1064.6123 164.9722 0.0000 2764.0615 6557.7256 305.2983 3793.6641 6591.2524 304.5270 PRESSURE: 109700 0 0 0 0 0 0 0 0 0 GPRESSURE: 109700 0 0 0 0 0 0 0 0 0 PRESSAVG: 109700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109700 0 0 0 0 0 0 0 0 0 TIMING: 109700 CPU: 437.43, 0.00397169/step Wall: 437.43, 0.00397169/step, 0.430597 hours remaining, 109.511719 MB of memory in use. ENERGY: 109700 681.0991 1913.1221 2006.6509 91.2458 -12.9340 -1006.4939 163.2354 0.0000 2698.8411 6534.7665 298.0945 3835.9254 6565.8779 302.1301 PRESSURE: 109800 0 0 0 0 0 0 0 0 0 GPRESSURE: 109800 0 0 0 0 0 0 0 0 0 PRESSAVG: 109800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109800 0 0 0 0 0 0 0 0 0 TIMING: 109800 CPU: 437.829, 0.00398367/step Wall: 437.829, 0.00398367/step, 0.431785 hours remaining, 109.511719 MB of memory in use. ENERGY: 109800 653.2211 1832.1283 2030.4297 102.2102 -13.1540 -1005.9107 176.2501 0.0000 2757.9660 6533.1407 304.6250 3775.1747 6566.8160 301.2896 PRESSURE: 109900 0 0 0 0 0 0 0 0 0 GPRESSURE: 109900 0 0 0 0 0 0 0 0 0 PRESSAVG: 109900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 109900 0 0 0 0 0 0 0 0 0 TIMING: 109900 CPU: 438.226, 0.00397052/step Wall: 438.226, 0.00397052/step, 0.43025 hours remaining, 109.511719 MB of memory in use. ENERGY: 109900 670.2617 1877.7909 2018.6444 106.1964 -13.7118 -1017.8669 168.6877 0.0000 2772.5164 6582.5188 306.2322 3810.0024 6616.9013 304.4567 PRESSURE: 110000 0 0 0 0 0 0 0 0 0 GPRESSURE: 110000 0 0 0 0 0 0 0 0 0 PRESSAVG: 110000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110000 0 0 0 0 0 0 0 0 0 TIMING: 110000 CPU: 438.623, 0.00397424/step Wall: 438.623, 0.00397424/step, 0.430543 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 110000 622.6484 1929.7520 2010.2320 111.5056 -13.5679 -1002.0379 168.4750 0.0000 2748.2383 6575.2455 303.5506 3827.0072 6608.1288 305.3536 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 110000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 110000 WRITING COORDINATES TO RESTART FILE AT STEP 110000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 110000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 110100 0 0 0 0 0 0 0 0 0 GPRESSURE: 110100 0 0 0 0 0 0 0 0 0 PRESSAVG: 110100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110100 0 0 0 0 0 0 0 0 0 TIMING: 110100 CPU: 439.061, 0.00437653/step Wall: 439.061, 0.00437653/step, 0.474003 hours remaining, 109.511719 MB of memory in use. ENERGY: 110100 636.8609 1917.7963 2042.6265 108.6420 -13.6485 -1066.6550 175.9307 0.0000 2798.4842 6600.0371 309.1004 3801.5529 6632.6258 304.9445 PRESSURE: 110200 0 0 0 0 0 0 0 0 0 GPRESSURE: 110200 0 0 0 0 0 0 0 0 0 PRESSAVG: 110200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110200 0 0 0 0 0 0 0 0 0 TIMING: 110200 CPU: 439.458, 0.00397113/step Wall: 439.458, 0.00397113/step, 0.429985 hours remaining, 109.511719 MB of memory in use. ENERGY: 110200 686.9980 1906.8029 2057.5134 115.1648 -14.0595 -1063.7427 169.5307 0.0000 2727.8256 6586.0332 301.2959 3858.2076 6618.1194 306.8333 PRESSURE: 110300 0 0 0 0 0 0 0 0 0 GPRESSURE: 110300 0 0 0 0 0 0 0 0 0 PRESSAVG: 110300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110300 0 0 0 0 0 0 0 0 0 TIMING: 110300 CPU: 439.856, 0.00398469/step Wall: 439.856, 0.00398469/step, 0.431343 hours remaining, 109.511719 MB of memory in use. ENERGY: 110300 658.5971 1924.5450 1995.0822 87.7692 -13.0025 -1020.5290 173.1894 0.0000 2797.1270 6602.7783 308.9505 3805.6513 6639.4084 304.7429 PRESSURE: 110400 0 0 0 0 0 0 0 0 0 GPRESSURE: 110400 0 0 0 0 0 0 0 0 0 PRESSAVG: 110400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110400 0 0 0 0 0 0 0 0 0 TIMING: 110400 CPU: 440.253, 0.00396914/step Wall: 440.253, 0.00396914/step, 0.429549 hours remaining, 109.511719 MB of memory in use. ENERGY: 110400 712.7761 1910.3647 2021.2260 122.9741 -13.6307 -1073.0201 168.4910 0.0000 2759.2189 6608.4001 304.7634 3849.1812 6640.8820 306.5734 PRESSURE: 110500 0 0 0 0 0 0 0 0 0 GPRESSURE: 110500 0 0 0 0 0 0 0 0 0 PRESSAVG: 110500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110500 0 0 0 0 0 0 0 0 0 TIMING: 110500 CPU: 440.651, 0.00398042/step Wall: 440.651, 0.00398041/step, 0.430658 hours remaining, 109.511719 MB of memory in use. ENERGY: 110500 662.3983 1884.4762 2015.1912 104.6790 -13.0172 -1015.9588 164.8118 0.0000 2756.4454 6559.0259 304.4571 3802.5805 6591.8668 304.5598 PRESSURE: 110600 0 0 0 0 0 0 0 0 0 GPRESSURE: 110600 0 0 0 0 0 0 0 0 0 PRESSAVG: 110600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110600 0 0 0 0 0 0 0 0 0 TIMING: 110600 CPU: 441.049, 0.00397496/step Wall: 441.049, 0.00397497/step, 0.429959 hours remaining, 109.511719 MB of memory in use. ENERGY: 110600 659.7600 1956.4681 1987.9019 92.9189 -13.1242 -1040.0922 172.4455 0.0000 2818.9052 6635.1832 311.3559 3816.2780 6669.3959 306.4269 PRESSURE: 110700 0 0 0 0 0 0 0 0 0 GPRESSURE: 110700 0 0 0 0 0 0 0 0 0 PRESSAVG: 110700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110700 0 0 0 0 0 0 0 0 0 TIMING: 110700 CPU: 441.45, 0.0040089/step Wall: 441.45, 0.0040089/step, 0.433518 hours remaining, 109.511719 MB of memory in use. ENERGY: 110700 689.5434 1922.0971 2013.2334 111.2544 -14.8003 -1018.1049 157.7411 0.0000 2765.6616 6626.6259 305.4750 3860.9643 6661.3597 308.1248 PRESSURE: 110800 0 0 0 0 0 0 0 0 0 GPRESSURE: 110800 0 0 0 0 0 0 0 0 0 PRESSAVG: 110800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110800 0 0 0 0 0 0 0 0 0 TIMING: 110800 CPU: 441.848, 0.00398333/step Wall: 441.848, 0.00398333/step, 0.430642 hours remaining, 109.511719 MB of memory in use. ENERGY: 110800 697.6392 1948.7453 2010.5961 102.1287 -14.1907 -1109.9738 178.7567 0.0000 2796.4688 6610.1704 308.8778 3813.7016 6644.4518 306.2614 PRESSURE: 110900 0 0 0 0 0 0 0 0 0 GPRESSURE: 110900 0 0 0 0 0 0 0 0 0 PRESSAVG: 110900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 110900 0 0 0 0 0 0 0 0 0 TIMING: 110900 CPU: 442.245, 0.0039696/step Wall: 442.245, 0.0039696/step, 0.429048 hours remaining, 109.511719 MB of memory in use. ENERGY: 110900 664.6841 1962.9960 2005.1268 113.7722 -14.1015 -1026.9054 167.0716 0.0000 2743.0575 6615.7014 302.9783 3872.6439 6648.5115 308.3335 PRESSURE: 111000 0 0 0 0 0 0 0 0 0 GPRESSURE: 111000 0 0 0 0 0 0 0 0 0 PRESSAVG: 111000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111000 0 0 0 0 0 0 0 0 0 TIMING: 111000 CPU: 442.642, 0.00397012/step Wall: 442.642, 0.00397012/step, 0.428994 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 111000 689.7841 1953.7258 2020.2709 94.3606 -15.0087 -1013.2286 171.7667 0.0000 2703.0023 6604.6731 298.5541 3901.6708 6634.1712 305.2729 PRESSURE: 111100 0 0 0 0 0 0 0 0 0 GPRESSURE: 111100 0 0 0 0 0 0 0 0 0 PRESSAVG: 111100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111100 0 0 0 0 0 0 0 0 0 TIMING: 111100 CPU: 443.04, 0.00398481/step Wall: 443.04, 0.00398481/step, 0.43047 hours remaining, 109.511719 MB of memory in use. ENERGY: 111100 682.5470 1929.0138 2002.9717 103.7856 -14.2292 -1025.8913 155.6472 0.0000 2736.9004 6570.7454 302.2983 3833.8449 6605.1756 307.6467 PRESSURE: 111200 0 0 0 0 0 0 0 0 0 GPRESSURE: 111200 0 0 0 0 0 0 0 0 0 PRESSAVG: 111200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111200 0 0 0 0 0 0 0 0 0 TIMING: 111200 CPU: 443.438, 0.00397209/step Wall: 443.438, 0.00397209/step, 0.428986 hours remaining, 109.511719 MB of memory in use. ENERGY: 111200 658.2208 1894.3901 1980.3568 100.5690 -13.6938 -1045.2118 164.6670 0.0000 2782.1164 6521.4144 307.2925 3739.2980 6556.0848 302.4631 PRESSURE: 111300 0 0 0 0 0 0 0 0 0 GPRESSURE: 111300 0 0 0 0 0 0 0 0 0 PRESSAVG: 111300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111300 0 0 0 0 0 0 0 0 0 TIMING: 111300 CPU: 443.836, 0.00398444/step Wall: 443.836, 0.00398444/step, 0.430209 hours remaining, 109.511719 MB of memory in use. ENERGY: 111300 690.5743 1894.3518 2027.9154 96.3176 -14.0018 -1035.9964 150.4942 0.0000 2741.8686 6551.5239 302.8470 3809.6552 6584.2978 303.5930 PRESSURE: 111400 0 0 0 0 0 0 0 0 0 GPRESSURE: 111400 0 0 0 0 0 0 0 0 0 PRESSAVG: 111400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111400 0 0 0 0 0 0 0 0 0 TIMING: 111400 CPU: 444.233, 0.00397126/step Wall: 444.233, 0.00397126/step, 0.428675 hours remaining, 109.511719 MB of memory in use. ENERGY: 111400 692.7631 1888.6356 2022.1768 105.7027 -14.7914 -1059.6488 161.2315 0.0000 2759.1970 6555.2666 304.7610 3796.0696 6589.0599 304.1319 PRESSURE: 111500 0 0 0 0 0 0 0 0 0 GPRESSURE: 111500 0 0 0 0 0 0 0 0 0 PRESSAVG: 111500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111500 0 0 0 0 0 0 0 0 0 TIMING: 111500 CPU: 444.63, 0.00397149/step Wall: 444.63, 0.00397149/step, 0.42859 hours remaining, 109.511719 MB of memory in use. ENERGY: 111500 682.2901 1938.5754 2019.9730 107.7367 -15.3364 -1097.7236 158.6841 0.0000 2732.6815 6526.8807 301.8323 3794.1992 6559.6274 303.9624 PRESSURE: 111600 0 0 0 0 0 0 0 0 0 GPRESSURE: 111600 0 0 0 0 0 0 0 0 0 PRESSAVG: 111600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111600 0 0 0 0 0 0 0 0 0 TIMING: 111600 CPU: 445.029, 0.00398313/step Wall: 445.029, 0.00398313/step, 0.429736 hours remaining, 109.511719 MB of memory in use. ENERGY: 111600 643.0418 1920.4907 2018.2359 102.4246 -14.0583 -1024.3442 162.4575 0.0000 2731.4439 6539.6920 301.6956 3808.2481 6572.7221 301.5602 PRESSURE: 111700 0 0 0 0 0 0 0 0 0 GPRESSURE: 111700 0 0 0 0 0 0 0 0 0 PRESSAVG: 111700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111700 0 0 0 0 0 0 0 0 0 TIMING: 111700 CPU: 445.426, 0.00397466/step Wall: 445.426, 0.00397466/step, 0.428711 hours remaining, 109.511719 MB of memory in use. ENERGY: 111700 639.4438 1926.9035 2008.8233 97.8201 -14.8289 -1063.5148 167.2315 0.0000 2783.8328 6545.7113 307.4821 3761.8786 6582.3725 304.0002 PRESSURE: 111800 0 0 0 0 0 0 0 0 0 GPRESSURE: 111800 0 0 0 0 0 0 0 0 0 PRESSAVG: 111800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111800 0 0 0 0 0 0 0 0 0 TIMING: 111800 CPU: 445.824, 0.00398226/step Wall: 445.824, 0.00398226/step, 0.42942 hours remaining, 109.511719 MB of memory in use. ENERGY: 111800 652.0651 1940.1849 2027.2939 108.9907 -15.1720 -1091.9977 157.5811 0.0000 2765.7317 6544.6777 305.4828 3778.9460 6579.6762 304.1368 PRESSURE: 111900 0 0 0 0 0 0 0 0 0 GPRESSURE: 111900 0 0 0 0 0 0 0 0 0 PRESSAVG: 111900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 111900 0 0 0 0 0 0 0 0 0 TIMING: 111900 CPU: 446.221, 0.00396816/step Wall: 446.221, 0.00396816/step, 0.42779 hours remaining, 109.511719 MB of memory in use. ENERGY: 111900 684.0988 1921.5638 2031.9114 113.2248 -15.5953 -1057.1734 152.5565 0.0000 2759.7275 6590.3141 304.8196 3830.5866 6621.8760 303.9751 PRESSURE: 112000 0 0 0 0 0 0 0 0 0 GPRESSURE: 112000 0 0 0 0 0 0 0 0 0 PRESSAVG: 112000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112000 0 0 0 0 0 0 0 0 0 TIMING: 112000 CPU: 446.618, 0.00396999/step Wall: 446.618, 0.00396999/step, 0.427877 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 112000 681.0529 1901.6558 2031.2770 109.5696 -14.3680 -1023.3334 161.1376 0.0000 2730.3700 6577.3614 301.5770 3846.9914 6610.0344 305.5539 PRESSURE: 112100 0 0 0 0 0 0 0 0 0 GPRESSURE: 112100 0 0 0 0 0 0 0 0 0 PRESSAVG: 112100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112100 0 0 0 0 0 0 0 0 0 TIMING: 112100 CPU: 447.016, 0.0039816/step Wall: 447.016, 0.0039816/step, 0.429017 hours remaining, 109.511719 MB of memory in use. ENERGY: 112100 683.9374 1916.0324 2015.4319 102.7829 -15.0301 -1061.1219 153.8557 0.0000 2794.0644 6589.9528 308.6122 3795.8883 6624.2532 304.9189 PRESSURE: 112200 0 0 0 0 0 0 0 0 0 GPRESSURE: 112200 0 0 0 0 0 0 0 0 0 PRESSAVG: 112200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112200 0 0 0 0 0 0 0 0 0 TIMING: 112200 CPU: 447.414, 0.00397181/step Wall: 447.414, 0.00397181/step, 0.427852 hours remaining, 109.511719 MB of memory in use. ENERGY: 112200 674.4950 1925.3695 2019.1163 103.1886 -14.1730 -1041.6623 149.5588 0.0000 2744.6981 6560.5910 303.1595 3815.8929 6593.2812 305.1246 LDB: ============= START OF LOAD BALANCING ============== 450.19 LDB: ============== END OF LOAD BALANCING =============== 450.19 LDB: =============== DONE WITH MIGRATION ================ 450.19 PRESSURE: 112300 0 0 0 0 0 0 0 0 0 GPRESSURE: 112300 0 0 0 0 0 0 0 0 0 PRESSAVG: 112300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112300 0 0 0 0 0 0 0 0 0 TIMING: 112300 CPU: 447.812, 0.00398524/step Wall: 447.812, 0.00398524/step, 0.429188 hours remaining, 109.511719 MB of memory in use. ENERGY: 112300 686.4523 1865.1005 2033.4994 108.4183 -12.6800 -1046.8035 172.1690 0.0000 2749.6214 6555.7774 303.7033 3806.1559 6591.8234 302.6529 LDB: ============= START OF LOAD BALANCING ============== 450.587 LDB: ============== END OF LOAD BALANCING =============== 450.587 LDB: =============== DONE WITH MIGRATION ================ 450.587 PRESSURE: 112400 0 0 0 0 0 0 0 0 0 GPRESSURE: 112400 0 0 0 0 0 0 0 0 0 PRESSAVG: 112400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112400 0 0 0 0 0 0 0 0 0 TIMING: 112400 CPU: 448.21, 0.00397768/step Wall: 448.21, 0.00397768/step, 0.428264 hours remaining, 109.511719 MB of memory in use. ENERGY: 112400 618.6756 1944.5695 2007.5758 101.5138 -13.8209 -1035.6434 150.7341 0.0000 2751.3137 6524.9183 303.8903 3773.6045 6561.8112 302.2405 PRESSURE: 112500 0 0 0 0 0 0 0 0 0 GPRESSURE: 112500 0 0 0 0 0 0 0 0 0 PRESSAVG: 112500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112500 0 0 0 0 0 0 0 0 0 TIMING: 112500 CPU: 448.607, 0.00397148/step Wall: 448.607, 0.00397148/step, 0.427486 hours remaining, 109.511719 MB of memory in use. ENERGY: 112500 670.8035 1906.6615 2010.8853 117.4255 -14.5147 -1051.6994 148.5249 0.0000 2734.8428 6522.9294 302.0710 3788.0865 6556.3207 301.4837 PRESSURE: 112600 0 0 0 0 0 0 0 0 0 GPRESSURE: 112600 0 0 0 0 0 0 0 0 0 PRESSAVG: 112600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112600 0 0 0 0 0 0 0 0 0 TIMING: 112600 CPU: 449.005, 0.00398445/step Wall: 449.005, 0.00398445/step, 0.428771 hours remaining, 109.511719 MB of memory in use. ENERGY: 112600 681.3219 1864.4878 2030.6490 109.4608 -14.9409 -1051.0731 158.9608 0.0000 2751.1456 6530.0119 303.8717 3778.8663 6566.9556 301.6553 PRESSURE: 112700 0 0 0 0 0 0 0 0 0 GPRESSURE: 112700 0 0 0 0 0 0 0 0 0 PRESSAVG: 112700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112700 0 0 0 0 0 0 0 0 0 TIMING: 112700 CPU: 449.403, 0.00397224/step Wall: 449.403, 0.00397224/step, 0.427347 hours remaining, 109.511719 MB of memory in use. ENERGY: 112700 660.1585 1899.5988 1985.3507 95.5284 -14.1277 -1067.6169 166.3770 0.0000 2753.2330 6478.5018 304.1023 3725.2688 6513.6925 299.7539 PRESSURE: 112800 0 0 0 0 0 0 0 0 0 GPRESSURE: 112800 0 0 0 0 0 0 0 0 0 PRESSAVG: 112800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112800 0 0 0 0 0 0 0 0 0 TIMING: 112800 CPU: 449.801, 0.00398524/step Wall: 449.801, 0.00398524/step, 0.428635 hours remaining, 109.511719 MB of memory in use. ENERGY: 112800 645.9043 1921.5920 2008.2612 101.7473 -13.8122 -1051.4539 157.4399 0.0000 2731.3741 6501.0528 301.6879 3769.6787 6534.9897 300.5028 PRESSURE: 112900 0 0 0 0 0 0 0 0 0 GPRESSURE: 112900 0 0 0 0 0 0 0 0 0 PRESSAVG: 112900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 112900 0 0 0 0 0 0 0 0 0 TIMING: 112900 CPU: 450.198, 0.00397068/step Wall: 450.198, 0.00397068/step, 0.426958 hours remaining, 109.511719 MB of memory in use. ENERGY: 112900 674.8502 1897.0289 1995.5902 103.1195 -13.3996 -1041.7788 160.7284 0.0000 2748.4447 6524.5834 303.5734 3776.1388 6556.8133 301.3186 PRESSURE: 113000 0 0 0 0 0 0 0 0 0 GPRESSURE: 113000 0 0 0 0 0 0 0 0 0 PRESSAVG: 113000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113000 0 0 0 0 0 0 0 0 0 TIMING: 113000 CPU: 450.595, 0.00396942/step Wall: 450.595, 0.00396942/step, 0.426713 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 113000 664.9843 1890.2299 1995.4762 105.9631 -13.6615 -1014.2309 156.3308 0.0000 2758.4716 6543.5634 304.6809 3785.0919 6576.5311 302.0025 PRESSURE: 113100 0 0 0 0 0 0 0 0 0 GPRESSURE: 113100 0 0 0 0 0 0 0 0 0 PRESSAVG: 113100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113100 0 0 0 0 0 0 0 0 0 TIMING: 113100 CPU: 450.994, 0.00398373/step Wall: 450.994, 0.00398373/step, 0.42814 hours remaining, 109.511719 MB of memory in use. ENERGY: 113100 640.5062 1941.5575 2016.1362 109.3594 -14.3568 -1051.6615 159.1175 0.0000 2772.7929 6573.4516 306.2627 3800.6587 6607.4652 303.7029 PRESSURE: 113200 0 0 0 0 0 0 0 0 0 GPRESSURE: 113200 0 0 0 0 0 0 0 0 0 PRESSAVG: 113200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113200 0 0 0 0 0 0 0 0 0 TIMING: 113200 CPU: 451.391, 0.00397118/step Wall: 451.391, 0.00397118/step, 0.426681 hours remaining, 109.511719 MB of memory in use. ENERGY: 113200 710.6211 1949.8404 2006.3120 109.8154 -14.7874 -1038.5216 157.1950 0.0000 2706.0345 6586.5094 298.8890 3880.4749 6619.7422 305.8464 PRESSURE: 113300 0 0 0 0 0 0 0 0 0 GPRESSURE: 113300 0 0 0 0 0 0 0 0 0 PRESSAVG: 113300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113300 0 0 0 0 0 0 0 0 0 TIMING: 113300 CPU: 451.789, 0.0039853/step Wall: 451.789, 0.0039853/step, 0.428088 hours remaining, 109.511719 MB of memory in use. ENERGY: 113300 631.1575 1923.1881 1997.9027 101.9208 -13.6594 -1042.7994 171.8792 0.0000 2783.3514 6552.9410 307.4289 3769.5896 6586.3209 303.2865 PRESSURE: 113400 0 0 0 0 0 0 0 0 0 GPRESSURE: 113400 0 0 0 0 0 0 0 0 0 PRESSAVG: 113400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113400 0 0 0 0 0 0 0 0 0 TIMING: 113400 CPU: 452.186, 0.00396888/step Wall: 452.186, 0.00396888/step, 0.426214 hours remaining, 109.511719 MB of memory in use. ENERGY: 113400 698.2198 1941.3003 2001.9268 104.2529 -14.1323 -1073.1857 159.3366 0.0000 2730.0588 6547.7772 301.5426 3817.7185 6578.7954 303.2432 PRESSURE: 113500 0 0 0 0 0 0 0 0 0 GPRESSURE: 113500 0 0 0 0 0 0 0 0 0 PRESSAVG: 113500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113500 0 0 0 0 0 0 0 0 0 TIMING: 113500 CPU: 452.583, 0.00397172/step Wall: 452.583, 0.00397172/step, 0.426408 hours remaining, 109.511719 MB of memory in use. ENERGY: 113500 663.4325 1911.6835 2004.7850 110.6291 -14.9162 -1018.3594 164.6488 0.0000 2705.3890 6527.2923 298.8178 3821.9032 6557.8658 301.9720 PRESSURE: 113600 0 0 0 0 0 0 0 0 0 GPRESSURE: 113600 0 0 0 0 0 0 0 0 0 PRESSAVG: 113600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113600 0 0 0 0 0 0 0 0 0 TIMING: 113600 CPU: 452.982, 0.0039845/step Wall: 452.982, 0.0039845/step, 0.42767 hours remaining, 109.511719 MB of memory in use. ENERGY: 113600 647.2058 1905.4376 1981.0670 119.8049 -15.0090 -1032.3696 156.4600 0.0000 2792.5846 6555.1813 308.4487 3762.5967 6592.5925 303.4418 PRESSURE: 113700 0 0 0 0 0 0 0 0 0 GPRESSURE: 113700 0 0 0 0 0 0 0 0 0 PRESSAVG: 113700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113700 0 0 0 0 0 0 0 0 0 TIMING: 113700 CPU: 453.379, 0.00397346/step Wall: 453.379, 0.00397346/step, 0.426374 hours remaining, 109.511719 MB of memory in use. ENERGY: 113700 670.5579 1855.9058 2021.4086 113.8978 -14.3317 -1024.6995 166.5745 0.0000 2731.2093 6520.5226 301.6697 3789.3134 6554.6415 303.2778 PRESSURE: 113800 0 0 0 0 0 0 0 0 0 GPRESSURE: 113800 0 0 0 0 0 0 0 0 0 PRESSAVG: 113800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113800 0 0 0 0 0 0 0 0 0 TIMING: 113800 CPU: 453.777, 0.00398188/step Wall: 453.777, 0.00398188/step, 0.427167 hours remaining, 109.511719 MB of memory in use. ENERGY: 113800 662.9325 1936.2319 2009.5448 100.3308 -15.1114 -1021.6154 158.6886 0.0000 2673.2955 6504.2973 295.2729 3831.0017 6532.7714 299.2453 PRESSURE: 113900 0 0 0 0 0 0 0 0 0 GPRESSURE: 113900 0 0 0 0 0 0 0 0 0 PRESSAVG: 113900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 113900 0 0 0 0 0 0 0 0 0 TIMING: 113900 CPU: 454.174, 0.00396973/step Wall: 454.174, 0.00396973/step, 0.425754 hours remaining, 109.511719 MB of memory in use. ENERGY: 113900 661.2693 1918.2545 2022.5530 110.1600 -14.5412 -1050.3124 154.0215 0.0000 2710.9080 6512.3126 299.4273 3801.4046 6546.1937 302.9921 PRESSURE: 114000 0 0 0 0 0 0 0 0 0 GPRESSURE: 114000 0 0 0 0 0 0 0 0 0 PRESSAVG: 114000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114000 0 0 0 0 0 0 0 0 0 TIMING: 114000 CPU: 454.571, 0.00397239/step Wall: 454.571, 0.00397239/step, 0.425928 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 114000 660.2838 1898.9803 2001.1853 102.7613 -13.9564 -1047.1638 159.7430 0.0000 2738.9839 6500.8173 302.5284 3761.8334 6533.7571 300.9888 PRESSURE: 114100 0 0 0 0 0 0 0 0 0 GPRESSURE: 114100 0 0 0 0 0 0 0 0 0 PRESSAVG: 114100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114100 0 0 0 0 0 0 0 0 0 TIMING: 114100 CPU: 454.97, 0.00398298/step Wall: 454.97, 0.00398298/step, 0.426953 hours remaining, 109.511719 MB of memory in use. ENERGY: 114100 636.0918 1872.5263 2009.7362 104.9079 -14.0226 -994.4064 160.4588 0.0000 2718.2268 6493.5188 300.2357 3775.2920 6529.1377 298.9084 PRESSURE: 114200 0 0 0 0 0 0 0 0 0 GPRESSURE: 114200 0 0 0 0 0 0 0 0 0 PRESSAVG: 114200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114200 0 0 0 0 0 0 0 0 0 TIMING: 114200 CPU: 455.367, 0.00397039/step Wall: 455.367, 0.00397039/step, 0.425493 hours remaining, 109.511719 MB of memory in use. ENERGY: 114200 634.4563 1917.8981 2015.4678 115.5973 -13.6760 -1039.8868 161.1709 0.0000 2709.4761 6500.5037 299.2692 3791.0276 6531.0928 301.6317 PRESSURE: 114300 0 0 0 0 0 0 0 0 0 GPRESSURE: 114300 0 0 0 0 0 0 0 0 0 PRESSAVG: 114300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114300 0 0 0 0 0 0 0 0 0 TIMING: 114300 CPU: 455.765, 0.00398195/step Wall: 455.765, 0.00398195/step, 0.426622 hours remaining, 109.511719 MB of memory in use. ENERGY: 114300 666.0801 1895.3063 2001.4517 93.2007 -15.0475 -1025.8760 157.6363 0.0000 2704.2141 6476.9657 298.6880 3772.7516 6510.2201 300.5865 PRESSURE: 114400 0 0 0 0 0 0 0 0 0 GPRESSURE: 114400 0 0 0 0 0 0 0 0 0 PRESSAVG: 114400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114400 0 0 0 0 0 0 0 0 0 TIMING: 114400 CPU: 456.162, 0.00396871/step Wall: 456.162, 0.0039687/step, 0.425092 hours remaining, 109.511719 MB of memory in use. ENERGY: 114400 691.8032 1907.5465 1997.9131 109.3275 -13.5397 -1028.6833 165.5169 0.0000 2667.2785 6497.1627 294.6083 3829.8842 6528.9861 301.8940 PRESSURE: 114500 0 0 0 0 0 0 0 0 0 GPRESSURE: 114500 0 0 0 0 0 0 0 0 0 PRESSAVG: 114500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114500 0 0 0 0 0 0 0 0 0 TIMING: 114500 CPU: 456.559, 0.0039706/step Wall: 456.559, 0.00397061/step, 0.425186 hours remaining, 109.511719 MB of memory in use. ENERGY: 114500 677.7561 1872.1076 2025.3700 95.7775 -15.0572 -1029.4796 158.9161 0.0000 2672.5044 6457.8947 295.1856 3785.3904 6491.0514 298.9824 PRESSURE: 114600 0 0 0 0 0 0 0 0 0 GPRESSURE: 114600 0 0 0 0 0 0 0 0 0 PRESSAVG: 114600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114600 0 0 0 0 0 0 0 0 0 TIMING: 114600 CPU: 456.957, 0.00398183/step Wall: 456.957, 0.00398183/step, 0.426277 hours remaining, 109.511719 MB of memory in use. ENERGY: 114600 655.3081 1877.4901 2022.9851 104.6279 -13.7426 -1042.7390 179.7402 0.0000 2677.4293 6461.0992 295.7295 3783.6699 6495.0732 297.9944 PRESSURE: 114700 0 0 0 0 0 0 0 0 0 GPRESSURE: 114700 0 0 0 0 0 0 0 0 0 PRESSAVG: 114700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114700 0 0 0 0 0 0 0 0 0 TIMING: 114700 CPU: 457.354, 0.00397299/step Wall: 457.354, 0.00397299/step, 0.42522 hours remaining, 109.511719 MB of memory in use. ENERGY: 114700 695.3626 1879.1138 2014.3359 111.2067 -14.0657 -1066.5354 171.1553 0.0000 2710.5676 6501.1406 299.3897 3790.5730 6528.8519 299.6044 PRESSURE: 114800 0 0 0 0 0 0 0 0 0 GPRESSURE: 114800 0 0 0 0 0 0 0 0 0 PRESSAVG: 114800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114800 0 0 0 0 0 0 0 0 0 TIMING: 114800 CPU: 457.753, 0.00398186/step Wall: 457.753, 0.00398186/step, 0.426059 hours remaining, 109.511719 MB of memory in use. ENERGY: 114800 671.7362 1877.7749 2031.8009 98.8958 -14.6589 -1037.8603 172.3950 0.0000 2718.1352 6518.2188 300.2256 3800.0835 6550.6253 301.4165 PRESSURE: 114900 0 0 0 0 0 0 0 0 0 GPRESSURE: 114900 0 0 0 0 0 0 0 0 0 PRESSAVG: 114900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 114900 0 0 0 0 0 0 0 0 0 TIMING: 114900 CPU: 458.149, 0.0039685/step Wall: 458.149, 0.0039685/step, 0.424519 hours remaining, 109.511719 MB of memory in use. ENERGY: 114900 665.0350 1890.8069 2008.2157 113.0927 -13.3910 -1036.3526 172.0546 0.0000 2747.4627 6546.9239 303.4649 3799.4612 6580.9102 303.0375 PRESSURE: 115000 0 0 0 0 0 0 0 0 0 GPRESSURE: 115000 0 0 0 0 0 0 0 0 0 PRESSAVG: 115000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115000 0 0 0 0 0 0 0 0 0 TIMING: 115000 CPU: 458.547, 0.00397139/step Wall: 458.547, 0.00397138/step, 0.424717 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 115000 637.6080 1921.4990 2022.1180 102.0476 -14.6952 -1016.3909 145.6588 0.0000 2705.7981 6503.6433 298.8629 3797.8452 6536.7956 300.8059 PRESSURE: 115100 0 0 0 0 0 0 0 0 0 GPRESSURE: 115100 0 0 0 0 0 0 0 0 0 PRESSAVG: 115100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115100 0 0 0 0 0 0 0 0 0 TIMING: 115100 CPU: 458.945, 0.00398283/step Wall: 458.945, 0.00398284/step, 0.425832 hours remaining, 109.511719 MB of memory in use. ENERGY: 115100 656.7860 1909.9179 2009.0896 110.4976 -14.4085 -1057.3145 173.4211 0.0000 2730.5102 6518.4995 301.5925 3787.9892 6551.7403 300.2994 PRESSURE: 115200 0 0 0 0 0 0 0 0 0 GPRESSURE: 115200 0 0 0 0 0 0 0 0 0 PRESSAVG: 115200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115200 0 0 0 0 0 0 0 0 0 TIMING: 115200 CPU: 459.342, 0.00397087/step Wall: 459.342, 0.00397087/step, 0.424442 hours remaining, 109.511719 MB of memory in use. ENERGY: 115200 632.3842 1880.1905 2030.3762 108.7563 -15.3088 -1047.5702 157.9491 0.0000 2743.8854 6490.6627 303.0698 3746.7773 6525.1140 300.9258 PRESSURE: 115300 0 0 0 0 0 0 0 0 0 GPRESSURE: 115300 0 0 0 0 0 0 0 0 0 PRESSAVG: 115300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115300 0 0 0 0 0 0 0 0 0 TIMING: 115300 CPU: 459.74, 0.00397997/step Wall: 459.74, 0.00397997/step, 0.425304 hours remaining, 109.511719 MB of memory in use. ENERGY: 115300 666.7347 1884.3576 2009.1247 107.6964 -14.7650 -1042.2608 168.4586 0.0000 2709.5907 6488.9369 299.2818 3779.3462 6523.3673 299.8654 PRESSURE: 115400 0 0 0 0 0 0 0 0 0 GPRESSURE: 115400 0 0 0 0 0 0 0 0 0 PRESSAVG: 115400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115400 0 0 0 0 0 0 0 0 0 TIMING: 115400 CPU: 460.137, 0.00397054/step Wall: 460.137, 0.00397054/step, 0.424186 hours remaining, 109.511719 MB of memory in use. ENERGY: 115400 642.8688 1888.6984 2002.3272 99.4138 -14.5588 -1025.0107 158.3367 0.0000 2702.7463 6454.8217 298.5259 3752.0754 6489.9820 298.5858 PRESSURE: 115500 0 0 0 0 0 0 0 0 0 GPRESSURE: 115500 0 0 0 0 0 0 0 0 0 PRESSAVG: 115500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115500 0 0 0 0 0 0 0 0 0 TIMING: 115500 CPU: 460.534, 0.00397142/step Wall: 460.534, 0.00397142/step, 0.42417 hours remaining, 109.511719 MB of memory in use. ENERGY: 115500 677.3332 1889.4894 1995.4447 101.4683 -14.7773 -1055.4526 157.7563 0.0000 2716.0669 6467.3291 299.9972 3751.2622 6500.0736 299.0692 PRESSURE: 115600 0 0 0 0 0 0 0 0 0 GPRESSURE: 115600 0 0 0 0 0 0 0 0 0 PRESSAVG: 115600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115600 0 0 0 0 0 0 0 0 0 TIMING: 115600 CPU: 460.933, 0.00398434/step Wall: 460.933, 0.00398434/step, 0.425439 hours remaining, 109.511719 MB of memory in use. ENERGY: 115600 650.5003 1892.4598 2033.8528 97.4967 -12.7871 -1035.7631 168.5619 0.0000 2660.6503 6454.9715 293.8762 3794.3212 6487.2080 298.0846 PRESSURE: 115700 0 0 0 0 0 0 0 0 0 GPRESSURE: 115700 0 0 0 0 0 0 0 0 0 PRESSAVG: 115700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115700 0 0 0 0 0 0 0 0 0 TIMING: 115700 CPU: 461.33, 0.00397111/step Wall: 461.33, 0.00397111/step, 0.423916 hours remaining, 109.511719 MB of memory in use. ENERGY: 115700 661.9485 1827.2046 2004.1345 109.2720 -12.9567 -1056.9522 173.6538 0.0000 2752.1774 6458.4818 303.9857 3706.3043 6494.7774 297.4716 PRESSURE: 115800 0 0 0 0 0 0 0 0 0 GPRESSURE: 115800 0 0 0 0 0 0 0 0 0 PRESSAVG: 115800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115800 0 0 0 0 0 0 0 0 0 TIMING: 115800 CPU: 461.728, 0.00398361/step Wall: 461.728, 0.00398361/step, 0.42514 hours remaining, 109.511719 MB of memory in use. ENERGY: 115800 664.7236 1891.7043 2038.4589 98.1968 -14.2823 -1064.3962 162.9135 0.0000 2720.9150 6498.2336 300.5326 3777.3185 6532.3589 300.1191 PRESSURE: 115900 0 0 0 0 0 0 0 0 0 GPRESSURE: 115900 0 0 0 0 0 0 0 0 0 PRESSAVG: 115900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 115900 0 0 0 0 0 0 0 0 0 TIMING: 115900 CPU: 462.125, 0.00397104/step Wall: 462.125, 0.00397104/step, 0.423688 hours remaining, 109.511719 MB of memory in use. ENERGY: 115900 667.9636 1863.0427 2004.9870 93.5182 -13.4848 -1057.6814 167.4203 0.0000 2736.7937 6462.5593 302.2865 3725.7656 6497.7614 299.5585 PRESSURE: 116000 0 0 0 0 0 0 0 0 0 GPRESSURE: 116000 0 0 0 0 0 0 0 0 0 PRESSAVG: 116000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116000 0 0 0 0 0 0 0 0 0 TIMING: 116000 CPU: 462.522, 0.00397078/step Wall: 462.522, 0.00397078/step, 0.42355 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 116000 639.0920 1882.8585 1986.2506 117.6664 -14.3960 -1021.2886 179.4225 0.0000 2736.3927 6505.9980 302.2422 3769.6053 6542.2273 300.5791 PRESSURE: 116100 0 0 0 0 0 0 0 0 0 GPRESSURE: 116100 0 0 0 0 0 0 0 0 0 PRESSAVG: 116100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116100 0 0 0 0 0 0 0 0 0 TIMING: 116100 CPU: 462.921, 0.00398364/step Wall: 462.921, 0.00398364/step, 0.424811 hours remaining, 109.511719 MB of memory in use. ENERGY: 116100 643.3948 1864.7490 2056.0690 112.8053 -14.8542 -1027.2043 168.5374 0.0000 2690.4935 6493.9905 297.1725 3803.4969 6527.2625 301.0297 PRESSURE: 116200 0 0 0 0 0 0 0 0 0 GPRESSURE: 116200 0 0 0 0 0 0 0 0 0 PRESSAVG: 116200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116200 0 0 0 0 0 0 0 0 0 TIMING: 116200 CPU: 463.318, 0.003973/step Wall: 463.318, 0.003973/step, 0.423566 hours remaining, 109.511719 MB of memory in use. ENERGY: 116200 635.7438 1914.4029 2005.7071 109.9483 -14.2648 -1038.8249 169.4742 0.0000 2680.7629 6462.9495 296.0977 3782.1866 6494.8258 299.5268 LDB: ============= START OF LOAD BALANCING ============== 466.094 LDB: ============== END OF LOAD BALANCING =============== 466.094 LDB: =============== DONE WITH MIGRATION ================ 466.094 PRESSURE: 116300 0 0 0 0 0 0 0 0 0 GPRESSURE: 116300 0 0 0 0 0 0 0 0 0 PRESSAVG: 116300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116300 0 0 0 0 0 0 0 0 0 TIMING: 116300 CPU: 463.717, 0.0039866/step Wall: 463.717, 0.0039866/step, 0.424905 hours remaining, 109.511719 MB of memory in use. ENERGY: 116300 642.3476 1897.1377 2031.5165 101.8155 -14.4542 -1061.4612 161.1667 0.0000 2720.1599 6478.2285 300.4492 3758.0686 6512.5798 298.9744 LDB: ============= START OF LOAD BALANCING ============== 466.492 LDB: ============== END OF LOAD BALANCING =============== 466.492 LDB: =============== DONE WITH MIGRATION ================ 466.492 PRESSURE: 116400 0 0 0 0 0 0 0 0 0 GPRESSURE: 116400 0 0 0 0 0 0 0 0 0 PRESSAVG: 116400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116400 0 0 0 0 0 0 0 0 0 TIMING: 116400 CPU: 464.114, 0.00397845/step Wall: 464.114, 0.00397845/step, 0.423926 hours remaining, 109.511719 MB of memory in use. ENERGY: 116400 652.6298 1856.0621 2027.8245 98.0474 -13.8382 -1039.2097 160.4825 0.0000 2728.7250 6470.7234 301.3953 3741.9984 6502.4275 298.0949 PRESSURE: 116500 0 0 0 0 0 0 0 0 0 GPRESSURE: 116500 0 0 0 0 0 0 0 0 0 PRESSAVG: 116500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116500 0 0 0 0 0 0 0 0 0 TIMING: 116500 CPU: 464.511, 0.00397019/step Wall: 464.511, 0.00397019/step, 0.422936 hours remaining, 109.511719 MB of memory in use. ENERGY: 116500 633.8714 1821.2976 2018.1609 105.3643 -12.9461 -1029.2342 166.5504 0.0000 2722.4429 6425.5072 300.7014 3703.0643 6460.0362 298.1281 PRESSURE: 116600 0 0 0 0 0 0 0 0 0 GPRESSURE: 116600 0 0 0 0 0 0 0 0 0 PRESSAVG: 116600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116600 0 0 0 0 0 0 0 0 0 TIMING: 116600 CPU: 464.91, 0.00398192/step Wall: 464.91, 0.00398192/step, 0.424074 hours remaining, 109.511719 MB of memory in use. ENERGY: 116600 653.2545 1909.4928 2007.6186 104.0981 -14.9160 -1050.9262 153.3242 0.0000 2651.6474 6413.5933 292.8818 3761.9460 6446.4429 296.3910 PRESSURE: 116700 0 0 0 0 0 0 0 0 0 GPRESSURE: 116700 0 0 0 0 0 0 0 0 0 PRESSAVG: 116700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116700 0 0 0 0 0 0 0 0 0 TIMING: 116700 CPU: 465.307, 0.00397125/step Wall: 465.307, 0.00397125/step, 0.422828 hours remaining, 109.511719 MB of memory in use. ENERGY: 116700 637.6274 1896.2675 2014.2997 105.5486 -15.1975 -1042.7352 160.1675 0.0000 2704.5478 6460.5258 298.7248 3755.9781 6491.8351 296.6285 PRESSURE: 116800 0 0 0 0 0 0 0 0 0 GPRESSURE: 116800 0 0 0 0 0 0 0 0 0 PRESSAVG: 116800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116800 0 0 0 0 0 0 0 0 0 TIMING: 116800 CPU: 465.705, 0.00398225/step Wall: 465.705, 0.00398225/step, 0.423888 hours remaining, 109.511719 MB of memory in use. ENERGY: 116800 652.5774 1907.6131 2001.6810 114.5428 -15.4719 -1035.9428 161.7552 0.0000 2604.8088 6391.5637 287.7084 3786.7549 6422.5338 295.5164 PRESSURE: 116900 0 0 0 0 0 0 0 0 0 GPRESSURE: 116900 0 0 0 0 0 0 0 0 0 PRESSAVG: 116900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 116900 0 0 0 0 0 0 0 0 0 TIMING: 116900 CPU: 466.102, 0.00397074/step Wall: 466.102, 0.00397074/step, 0.422553 hours remaining, 109.511719 MB of memory in use. ENERGY: 116900 639.4046 1810.6481 1987.3223 110.3676 -15.0926 -1027.4591 163.8747 0.0000 2726.0155 6395.0812 301.0960 3669.0657 6427.6976 295.7736 PRESSURE: 117000 0 0 0 0 0 0 0 0 0 GPRESSURE: 117000 0 0 0 0 0 0 0 0 0 PRESSAVG: 117000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117000 0 0 0 0 0 0 0 0 0 TIMING: 117000 CPU: 466.499, 0.00396942/step Wall: 466.499, 0.00396942/step, 0.422302 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 117000 685.5574 1840.8688 2017.2869 98.0249 -14.8115 -1053.4740 187.4767 0.0000 2643.4297 6404.3589 291.9742 3760.9292 6434.6153 295.6235 PRESSURE: 117100 0 0 0 0 0 0 0 0 0 GPRESSURE: 117100 0 0 0 0 0 0 0 0 0 PRESSAVG: 117100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117100 0 0 0 0 0 0 0 0 0 TIMING: 117100 CPU: 466.897, 0.00398399/step Wall: 466.897, 0.00398399/step, 0.423742 hours remaining, 109.511719 MB of memory in use. ENERGY: 117100 658.3422 1885.1147 1994.0015 95.5976 -14.6668 -1069.9272 156.1264 0.0000 2648.7894 6353.3778 292.5662 3704.5884 6384.0679 294.1505 PRESSURE: 117200 0 0 0 0 0 0 0 0 0 GPRESSURE: 117200 0 0 0 0 0 0 0 0 0 PRESSAVG: 117200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117200 0 0 0 0 0 0 0 0 0 TIMING: 117200 CPU: 467.294, 0.00396999/step Wall: 467.294, 0.00396999/step, 0.422142 hours remaining, 109.511719 MB of memory in use. ENERGY: 117200 683.1041 1811.7776 2018.0402 100.6194 -13.9978 -1070.0215 158.1644 0.0000 2626.1476 6313.8340 290.0653 3687.6864 6345.0350 292.2346 PRESSURE: 117300 0 0 0 0 0 0 0 0 0 GPRESSURE: 117300 0 0 0 0 0 0 0 0 0 PRESSAVG: 117300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117300 0 0 0 0 0 0 0 0 0 TIMING: 117300 CPU: 467.691, 0.00396874/step Wall: 467.691, 0.00396874/step, 0.421899 hours remaining, 109.511719 MB of memory in use. ENERGY: 117300 626.5141 1829.8104 1996.1998 101.6368 -14.3747 -1018.5700 170.1972 0.0000 2678.3492 6369.7629 295.8311 3691.4137 6405.1845 291.4206 PRESSURE: 117400 0 0 0 0 0 0 0 0 0 GPRESSURE: 117400 0 0 0 0 0 0 0 0 0 PRESSAVG: 117400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117400 0 0 0 0 0 0 0 0 0 TIMING: 117400 CPU: 468.089, 0.00398138/step Wall: 468.089, 0.00398138/step, 0.423132 hours remaining, 109.511719 MB of memory in use. ENERGY: 117400 629.5257 1860.9020 2014.2653 94.1950 -15.4108 -1048.2151 167.0950 0.0000 2659.3039 6361.6610 293.7275 3702.3570 6393.2557 294.1021 PRESSURE: 117500 0 0 0 0 0 0 0 0 0 GPRESSURE: 117500 0 0 0 0 0 0 0 0 0 PRESSAVG: 117500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117500 0 0 0 0 0 0 0 0 0 TIMING: 117500 CPU: 468.486, 0.00397071/step Wall: 468.486, 0.00397071/step, 0.421888 hours remaining, 109.511719 MB of memory in use. ENERGY: 117500 663.9484 1876.6274 2010.2662 118.1872 -13.6731 -1051.9457 146.0689 0.0000 2657.4009 6406.8802 293.5173 3749.4793 6437.9067 293.9404 PRESSURE: 117600 0 0 0 0 0 0 0 0 0 GPRESSURE: 117600 0 0 0 0 0 0 0 0 0 PRESSAVG: 117600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117600 0 0 0 0 0 0 0 0 0 TIMING: 117600 CPU: 468.885, 0.00398091/step Wall: 468.885, 0.00398091/step, 0.422861 hours remaining, 109.511719 MB of memory in use. ENERGY: 117600 624.7794 1879.6422 1990.0630 94.5979 -14.3903 -1004.3243 161.3598 0.0000 2664.9259 6396.6536 294.3485 3731.7277 6431.9544 295.9155 PRESSURE: 117700 0 0 0 0 0 0 0 0 0 GPRESSURE: 117700 0 0 0 0 0 0 0 0 0 PRESSAVG: 117700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117700 0 0 0 0 0 0 0 0 0 TIMING: 117700 CPU: 469.282, 0.0039692/step Wall: 469.282, 0.0039692/step, 0.421507 hours remaining, 109.511719 MB of memory in use. ENERGY: 117700 668.1230 1865.8804 1987.9889 109.8118 -13.6788 -1042.1550 161.3694 0.0000 2612.7159 6350.0556 288.5818 3737.3397 6382.1983 292.4560 PRESSURE: 117800 0 0 0 0 0 0 0 0 0 GPRESSURE: 117800 0 0 0 0 0 0 0 0 0 PRESSAVG: 117800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117800 0 0 0 0 0 0 0 0 0 TIMING: 117800 CPU: 469.679, 0.00397138/step Wall: 469.679, 0.00397138/step, 0.421628 hours remaining, 109.511719 MB of memory in use. ENERGY: 117800 671.6923 1881.6577 1998.5331 123.5494 -13.5603 -1057.0190 168.0085 0.0000 2603.3118 6376.1734 287.5430 3772.8616 6405.6566 293.1908 PRESSURE: 117900 0 0 0 0 0 0 0 0 0 GPRESSURE: 117900 0 0 0 0 0 0 0 0 0 PRESSAVG: 117900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 117900 0 0 0 0 0 0 0 0 0 TIMING: 117900 CPU: 470.077, 0.00398111/step Wall: 470.077, 0.00398111/step, 0.42255 hours remaining, 109.511719 MB of memory in use. ENERGY: 117900 661.4485 1953.9457 1989.1613 103.6602 -14.2251 -1075.8177 163.6023 0.0000 2636.0518 6417.8270 291.1593 3781.7752 6447.8963 293.6276 PRESSURE: 118000 0 0 0 0 0 0 0 0 0 GPRESSURE: 118000 0 0 0 0 0 0 0 0 0 PRESSAVG: 118000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118000 0 0 0 0 0 0 0 0 0 TIMING: 118000 CPU: 470.474, 0.00396976/step Wall: 470.474, 0.00396976/step, 0.421236 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 118000 640.0002 1842.6872 1996.5866 120.2235 -13.3278 -1046.5600 163.9363 0.0000 2694.3324 6397.8785 297.5965 3703.5461 6431.2069 296.3021 PRESSURE: 118100 0 0 0 0 0 0 0 0 0 GPRESSURE: 118100 0 0 0 0 0 0 0 0 0 PRESSAVG: 118100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118100 0 0 0 0 0 0 0 0 0 TIMING: 118100 CPU: 470.874, 0.0039979/step Wall: 470.874, 0.0039979/step, 0.424111 hours remaining, 109.511719 MB of memory in use. ENERGY: 118100 637.7951 1914.5934 1997.7447 97.8465 -14.7715 -1056.1188 166.4420 0.0000 2696.8724 6440.4038 297.8771 3743.5314 6474.7089 294.7871 PRESSURE: 118200 0 0 0 0 0 0 0 0 0 GPRESSURE: 118200 0 0 0 0 0 0 0 0 0 PRESSAVG: 118200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118200 0 0 0 0 0 0 0 0 0 TIMING: 118200 CPU: 471.271, 0.00397046/step Wall: 471.271, 0.00397046/step, 0.421089 hours remaining, 109.511719 MB of memory in use. ENERGY: 118200 722.5540 1854.9939 2003.4935 100.9113 -15.6977 -1069.5640 158.8895 0.0000 2667.5691 6423.1498 294.6404 3755.5806 6458.1697 296.9421 PRESSURE: 118300 0 0 0 0 0 0 0 0 0 GPRESSURE: 118300 0 0 0 0 0 0 0 0 0 PRESSAVG: 118300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118300 0 0 0 0 0 0 0 0 0 TIMING: 118300 CPU: 471.668, 0.00397028/step Wall: 471.668, 0.00397028/step, 0.42096 hours remaining, 109.511719 MB of memory in use. ENERGY: 118300 657.4958 1854.4756 2007.1545 96.7862 -15.2113 -1056.9589 148.3593 0.0000 2721.2903 6413.3915 300.5741 3692.1012 6446.3901 295.2697 PRESSURE: 118400 0 0 0 0 0 0 0 0 0 GPRESSURE: 118400 0 0 0 0 0 0 0 0 0 PRESSAVG: 118400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118400 0 0 0 0 0 0 0 0 0 TIMING: 118400 CPU: 472.066, 0.00398028/step Wall: 472.066, 0.00398028/step, 0.42191 hours remaining, 109.511719 MB of memory in use. ENERGY: 118400 647.6706 1821.7504 2034.9666 109.5957 -14.2469 -1041.6100 161.2478 0.0000 2704.1643 6423.5385 298.6825 3719.3743 6458.9649 295.7750 PRESSURE: 118500 0 0 0 0 0 0 0 0 0 GPRESSURE: 118500 0 0 0 0 0 0 0 0 0 PRESSAVG: 118500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118500 0 0 0 0 0 0 0 0 0 TIMING: 118500 CPU: 472.463, 0.00397096/step Wall: 472.463, 0.00397096/step, 0.420812 hours remaining, 109.511719 MB of memory in use. ENERGY: 118500 637.0239 1820.9790 2038.4179 101.8866 -13.7608 -1007.4731 171.0885 0.0000 2703.0229 6451.1850 298.5564 3748.1621 6484.6105 294.9741 PRESSURE: 118600 0 0 0 0 0 0 0 0 0 GPRESSURE: 118600 0 0 0 0 0 0 0 0 0 PRESSAVG: 118600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118600 0 0 0 0 0 0 0 0 0 TIMING: 118600 CPU: 472.861, 0.00398025/step Wall: 472.861, 0.00398025/step, 0.421685 hours remaining, 109.511719 MB of memory in use. ENERGY: 118600 667.5394 1840.4746 2009.6460 107.0420 -14.3998 -1004.9463 168.8038 0.0000 2703.1832 6477.3429 298.5741 3774.1597 6509.7231 297.9832 PRESSURE: 118700 0 0 0 0 0 0 0 0 0 GPRESSURE: 118700 0 0 0 0 0 0 0 0 0 PRESSAVG: 118700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118700 0 0 0 0 0 0 0 0 0 TIMING: 118700 CPU: 473.258, 0.00397196/step Wall: 473.258, 0.00397196/step, 0.420697 hours remaining, 109.511719 MB of memory in use. ENERGY: 118700 634.8161 1878.7571 1995.6288 103.9974 -15.1639 -1018.1617 168.1112 0.0000 2686.5787 6434.5637 296.7401 3747.9850 6468.9504 297.4944 PRESSURE: 118800 0 0 0 0 0 0 0 0 0 GPRESSURE: 118800 0 0 0 0 0 0 0 0 0 PRESSAVG: 118800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118800 0 0 0 0 0 0 0 0 0 TIMING: 118800 CPU: 473.655, 0.00397102/step Wall: 473.655, 0.00397101/step, 0.420486 hours remaining, 109.511719 MB of memory in use. ENERGY: 118800 676.3977 1888.3898 2017.7555 103.0855 -14.3048 -1061.7336 173.2918 0.0000 2694.7030 6477.5849 297.6375 3782.8819 6508.4721 298.1280 PRESSURE: 118900 0 0 0 0 0 0 0 0 0 GPRESSURE: 118900 0 0 0 0 0 0 0 0 0 PRESSAVG: 118900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 118900 0 0 0 0 0 0 0 0 0 TIMING: 118900 CPU: 474.053, 0.00398417/step Wall: 474.053, 0.00398418/step, 0.42177 hours remaining, 109.511719 MB of memory in use. ENERGY: 118900 704.0074 1825.4394 1995.4886 105.6017 -13.2103 -1013.1843 174.8396 0.0000 2731.1295 6510.1115 301.6609 3778.9820 6545.6788 299.7746 PRESSURE: 119000 0 0 0 0 0 0 0 0 0 GPRESSURE: 119000 0 0 0 0 0 0 0 0 0 PRESSAVG: 119000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119000 0 0 0 0 0 0 0 0 0 TIMING: 119000 CPU: 474.45, 0.00397027/step Wall: 474.45, 0.00397027/step, 0.420187 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 119000 630.2229 1934.8916 2001.2562 106.8868 -14.2425 -1048.2622 164.5768 0.0000 2717.3651 6492.6947 300.1405 3775.3297 6522.8884 301.5962 PRESSURE: 119100 0 0 0 0 0 0 0 0 0 GPRESSURE: 119100 0 0 0 0 0 0 0 0 0 PRESSAVG: 119100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119100 0 0 0 0 0 0 0 0 0 TIMING: 119100 CPU: 474.849, 0.00398255/step Wall: 474.849, 0.00398255/step, 0.421376 hours remaining, 109.511719 MB of memory in use. ENERGY: 119100 641.5901 1869.6856 1996.0259 108.3976 -13.1215 -1026.7994 174.4215 0.0000 2694.1054 6444.3052 297.5714 3750.1998 6478.9203 298.5098 PRESSURE: 119200 0 0 0 0 0 0 0 0 0 GPRESSURE: 119200 0 0 0 0 0 0 0 0 0 PRESSAVG: 119200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119200 0 0 0 0 0 0 0 0 0 TIMING: 119200 CPU: 475.246, 0.00397174/step Wall: 475.246, 0.00397174/step, 0.420122 hours remaining, 109.511719 MB of memory in use. ENERGY: 119200 660.3888 1880.7087 1978.2760 95.3295 -14.4894 -1058.3764 161.0624 0.0000 2675.7458 6378.6453 295.5436 3702.8995 6412.3133 296.5605 PRESSURE: 119300 0 0 0 0 0 0 0 0 0 GPRESSURE: 119300 0 0 0 0 0 0 0 0 0 PRESSAVG: 119300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119300 0 0 0 0 0 0 0 0 0 TIMING: 119300 CPU: 475.643, 0.00396997/step Wall: 475.643, 0.00396997/step, 0.419824 hours remaining, 109.511719 MB of memory in use. ENERGY: 119300 621.7094 1834.5290 1997.4485 102.7082 -13.2439 -1026.7994 161.3942 0.0000 2731.1678 6408.9137 301.6651 3677.7460 6442.3606 294.5503 PRESSURE: 119400 0 0 0 0 0 0 0 0 0 GPRESSURE: 119400 0 0 0 0 0 0 0 0 0 PRESSAVG: 119400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119400 0 0 0 0 0 0 0 0 0 TIMING: 119400 CPU: 476.041, 0.00398098/step Wall: 476.041, 0.00398098/step, 0.420878 hours remaining, 109.511719 MB of memory in use. ENERGY: 119400 648.3042 1896.9176 2002.7240 102.8167 -13.6985 -1052.7532 164.9074 0.0000 2675.0034 6424.2217 295.4616 3749.2183 6455.3174 296.6375 PRESSURE: 119500 0 0 0 0 0 0 0 0 0 GPRESSURE: 119500 0 0 0 0 0 0 0 0 0 PRESSAVG: 119500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119500 0 0 0 0 0 0 0 0 0 TIMING: 119500 CPU: 476.438, 0.00397116/step Wall: 476.438, 0.00397116/step, 0.419729 hours remaining, 109.511719 MB of memory in use. ENERGY: 119500 644.6160 1869.6994 2015.4891 99.5457 -12.7725 -1024.2032 177.4411 0.0000 2688.8824 6458.6981 296.9946 3769.8157 6493.8637 298.2914 PRESSURE: 119600 0 0 0 0 0 0 0 0 0 GPRESSURE: 119600 0 0 0 0 0 0 0 0 0 PRESSAVG: 119600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119600 0 0 0 0 0 0 0 0 0 TIMING: 119600 CPU: 476.836, 0.00398364/step Wall: 476.836, 0.00398364/step, 0.420938 hours remaining, 109.511719 MB of memory in use. ENERGY: 119600 684.0429 1875.7203 1994.1570 97.8248 -15.0227 -1033.3029 166.9110 0.0000 2688.4304 6458.7608 296.9446 3770.3304 6494.4288 298.7992 PRESSURE: 119700 0 0 0 0 0 0 0 0 0 GPRESSURE: 119700 0 0 0 0 0 0 0 0 0 PRESSAVG: 119700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119700 0 0 0 0 0 0 0 0 0 TIMING: 119700 CPU: 477.234, 0.00397104/step Wall: 477.234, 0.00397104/step, 0.419496 hours remaining, 109.511719 MB of memory in use. ENERGY: 119700 657.0226 1889.3427 1997.2017 102.3547 -13.4698 -1026.7291 171.9020 0.0000 2746.8361 6524.4609 303.3957 3777.6248 6557.1117 301.3507 PRESSURE: 119800 0 0 0 0 0 0 0 0 0 GPRESSURE: 119800 0 0 0 0 0 0 0 0 0 PRESSAVG: 119800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119800 0 0 0 0 0 0 0 0 0 TIMING: 119800 CPU: 477.631, 0.00397246/step Wall: 477.631, 0.00397245/step, 0.419535 hours remaining, 109.511719 MB of memory in use. ENERGY: 119800 651.5199 1890.1715 2036.0903 104.4934 -12.9245 -1043.4005 159.2595 0.0000 2720.2776 6505.4872 300.4622 3785.2096 6536.3387 301.4301 PRESSURE: 119900 0 0 0 0 0 0 0 0 0 GPRESSURE: 119900 0 0 0 0 0 0 0 0 0 PRESSAVG: 119900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 119900 0 0 0 0 0 0 0 0 0 TIMING: 119900 CPU: 478.029, 0.00398052/step Wall: 478.029, 0.00398053/step, 0.420278 hours remaining, 109.511719 MB of memory in use. ENERGY: 119900 656.5805 1877.1003 1999.9250 90.1280 -13.2660 -1014.3993 159.3944 0.0000 2712.4095 6467.8724 299.5932 3755.4629 6502.4137 300.3925 PRESSURE: 120000 0 0 0 0 0 0 0 0 0 GPRESSURE: 120000 0 0 0 0 0 0 0 0 0 PRESSAVG: 120000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120000 0 0 0 0 0 0 0 0 0 TIMING: 120000 CPU: 478.426, 0.00397241/step Wall: 478.426, 0.00397241/step, 0.41931 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 120000 660.9628 1867.4070 1996.1369 102.1891 -13.0586 -1031.4608 162.1305 0.0000 2725.4806 6469.7875 301.0369 3744.3068 6504.5482 300.7616 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 120000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 120000 WRITING COORDINATES TO RESTART FILE AT STEP 120000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 120000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 120100 0 0 0 0 0 0 0 0 0 GPRESSURE: 120100 0 0 0 0 0 0 0 0 0 PRESSAVG: 120100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120100 0 0 0 0 0 0 0 0 0 TIMING: 120100 CPU: 478.872, 0.00446/step Wall: 478.872, 0.00446/step, 0.470654 hours remaining, 109.511719 MB of memory in use. ENERGY: 120100 667.2745 1876.2006 1983.7168 102.5408 -13.5799 -1047.4820 180.4254 0.0000 2686.5924 6435.6884 296.7416 3749.0961 6469.2577 298.8863 PRESSURE: 120200 0 0 0 0 0 0 0 0 0 GPRESSURE: 120200 0 0 0 0 0 0 0 0 0 PRESSAVG: 120200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120200 0 0 0 0 0 0 0 0 0 TIMING: 120200 CPU: 479.269, 0.00397163/step Wall: 479.269, 0.00397163/step, 0.419007 hours remaining, 109.511719 MB of memory in use. ENERGY: 120200 656.0829 1903.1101 1980.1058 104.6791 -11.6183 -1050.0675 169.4572 0.0000 2721.7651 6473.5144 300.6265 3751.7493 6503.0349 297.5861 LDB: ============= START OF LOAD BALANCING ============== 482.044 LDB: ============== END OF LOAD BALANCING =============== 482.044 LDB: =============== DONE WITH MIGRATION ================ 482.044 PRESSURE: 120300 0 0 0 0 0 0 0 0 0 GPRESSURE: 120300 0 0 0 0 0 0 0 0 0 PRESSAVG: 120300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120300 0 0 0 0 0 0 0 0 0 TIMING: 120300 CPU: 479.666, 0.00397179/step Wall: 479.666, 0.00397179/step, 0.418913 hours remaining, 109.511719 MB of memory in use. ENERGY: 120300 691.7236 1904.7114 2001.3433 103.0202 -14.8287 -1038.4660 170.1350 0.0000 2646.0744 6463.7133 292.2663 3817.6388 6495.5531 298.6671 LDB: ============= START OF LOAD BALANCING ============== 482.443 LDB: ============== END OF LOAD BALANCING =============== 482.443 LDB: =============== DONE WITH MIGRATION ================ 482.443 PRESSURE: 120400 0 0 0 0 0 0 0 0 0 GPRESSURE: 120400 0 0 0 0 0 0 0 0 0 PRESSAVG: 120400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120400 0 0 0 0 0 0 0 0 0 TIMING: 120400 CPU: 480.065, 0.00398824/step Wall: 480.065, 0.00398824/step, 0.420538 hours remaining, 109.511719 MB of memory in use. ENERGY: 120400 665.9199 1852.0182 2011.9099 115.8586 -14.5221 -1036.4289 162.4343 0.0000 2750.6455 6507.8354 303.8165 3757.1899 6541.8863 299.7818 PRESSURE: 120500 0 0 0 0 0 0 0 0 0 GPRESSURE: 120500 0 0 0 0 0 0 0 0 0 PRESSAVG: 120500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120500 0 0 0 0 0 0 0 0 0 TIMING: 120500 CPU: 480.462, 0.00397123/step Wall: 480.462, 0.00397123/step, 0.418634 hours remaining, 109.511719 MB of memory in use. ENERGY: 120500 649.7786 1853.5204 2006.9342 94.0607 -15.1770 -1032.5292 167.8651 0.0000 2700.5600 6425.0128 298.2844 3724.4528 6458.3445 299.2237 PRESSURE: 120600 0 0 0 0 0 0 0 0 0 GPRESSURE: 120600 0 0 0 0 0 0 0 0 0 PRESSAVG: 120600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120600 0 0 0 0 0 0 0 0 0 TIMING: 120600 CPU: 480.861, 0.0039819/step Wall: 480.861, 0.0039819/step, 0.419648 hours remaining, 109.511719 MB of memory in use. ENERGY: 120600 662.6232 1877.0989 2000.7382 112.9591 -15.4527 -1067.9640 160.9648 0.0000 2653.2550 6384.2224 293.0594 3730.9675 6416.0628 294.4080 PRESSURE: 120700 0 0 0 0 0 0 0 0 0 GPRESSURE: 120700 0 0 0 0 0 0 0 0 0 PRESSAVG: 120700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120700 0 0 0 0 0 0 0 0 0 TIMING: 120700 CPU: 481.258, 0.00397022/step Wall: 481.258, 0.00397022/step, 0.418307 hours remaining, 109.511719 MB of memory in use. ENERGY: 120700 677.6708 1831.6823 2002.8008 95.4162 -15.2325 -1055.8859 157.8006 0.0000 2692.3935 6386.6458 297.3824 3694.2524 6416.6726 295.6595 PRESSURE: 120800 0 0 0 0 0 0 0 0 0 GPRESSURE: 120800 0 0 0 0 0 0 0 0 0 PRESSAVG: 120800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120800 0 0 0 0 0 0 0 0 0 TIMING: 120800 CPU: 481.655, 0.00397132/step Wall: 481.655, 0.00397132/step, 0.418312 hours remaining, 109.511719 MB of memory in use. ENERGY: 120800 637.4284 1850.3140 2008.2497 96.1308 -15.0426 -1063.7415 155.3546 0.0000 2719.4253 6388.1188 300.3681 3668.6934 6419.3232 295.7183 PRESSURE: 120900 0 0 0 0 0 0 0 0 0 GPRESSURE: 120900 0 0 0 0 0 0 0 0 0 PRESSAVG: 120900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 120900 0 0 0 0 0 0 0 0 0 TIMING: 120900 CPU: 482.053, 0.00398243/step Wall: 482.053, 0.00398243/step, 0.419372 hours remaining, 109.511719 MB of memory in use. ENERGY: 120900 639.5861 1871.1935 2033.6597 109.3592 -14.8275 -1039.4608 161.4033 0.0000 2595.5580 6356.4715 286.6866 3760.9135 6387.4288 292.8411 PRESSURE: 121000 0 0 0 0 0 0 0 0 0 GPRESSURE: 121000 0 0 0 0 0 0 0 0 0 PRESSAVG: 121000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121000 0 0 0 0 0 0 0 0 0 TIMING: 121000 CPU: 482.45, 0.00397072/step Wall: 482.45, 0.00397072/step, 0.418028 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 121000 636.8237 1866.6211 1999.8449 105.2255 -14.6255 -1059.2767 157.6949 0.0000 2625.5776 6317.8855 290.0024 3692.3079 6349.8676 291.5833 PRESSURE: 121100 0 0 0 0 0 0 0 0 0 GPRESSURE: 121100 0 0 0 0 0 0 0 0 0 PRESSAVG: 121100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121100 0 0 0 0 0 0 0 0 0 TIMING: 121100 CPU: 482.848, 0.0039833/step Wall: 482.848, 0.00398329/step, 0.419241 hours remaining, 109.511719 MB of memory in use. ENERGY: 121100 606.3575 1858.6010 1985.1792 97.9702 -14.8452 -1045.0531 144.4534 0.0000 2675.4652 6308.1282 295.5126 3632.6630 6342.9743 289.3837 PRESSURE: 121200 0 0 0 0 0 0 0 0 0 GPRESSURE: 121200 0 0 0 0 0 0 0 0 0 PRESSAVG: 121200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121200 0 0 0 0 0 0 0 0 0 TIMING: 121200 CPU: 483.246, 0.00397122/step Wall: 483.246, 0.00397123/step, 0.417862 hours remaining, 109.511719 MB of memory in use. ENERGY: 121200 646.6122 1895.6094 1977.5382 101.0715 -14.5360 -1075.5612 165.5756 0.0000 2687.2897 6383.5993 296.8186 3696.3096 6415.4038 293.0528 PRESSURE: 121300 0 0 0 0 0 0 0 0 0 GPRESSURE: 121300 0 0 0 0 0 0 0 0 0 PRESSAVG: 121300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121300 0 0 0 0 0 0 0 0 0 TIMING: 121300 CPU: 483.643, 0.00397053/step Wall: 483.643, 0.00397053/step, 0.417678 hours remaining, 109.511719 MB of memory in use. ENERGY: 121300 656.4055 1858.6280 2020.7582 118.1820 -14.9732 -1028.9476 155.7710 0.0000 2677.5783 6443.4022 295.7460 3765.8239 6475.2705 295.8660 PRESSURE: 121400 0 0 0 0 0 0 0 0 0 GPRESSURE: 121400 0 0 0 0 0 0 0 0 0 PRESSAVG: 121400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121400 0 0 0 0 0 0 0 0 0 TIMING: 121400 CPU: 484.041, 0.00398008/step Wall: 484.041, 0.00398008/step, 0.418572 hours remaining, 109.511719 MB of memory in use. ENERGY: 121400 671.3352 1886.9359 1975.6692 97.8864 -15.1451 -1038.0561 150.3100 0.0000 2730.6848 6459.6204 301.6117 3728.9356 6490.8829 299.0430 PRESSURE: 121500 0 0 0 0 0 0 0 0 0 GPRESSURE: 121500 0 0 0 0 0 0 0 0 0 PRESSAVG: 121500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121500 0 0 0 0 0 0 0 0 0 TIMING: 121500 CPU: 484.438, 0.00397036/step Wall: 484.438, 0.00397036/step, 0.417439 hours remaining, 109.511719 MB of memory in use. ENERGY: 121500 666.9164 1886.8628 1999.4112 111.0736 -14.2265 -1027.1195 162.8069 0.0000 2705.8088 6491.5337 298.8641 3785.7249 6522.2143 299.9786 PRESSURE: 121600 0 0 0 0 0 0 0 0 0 GPRESSURE: 121600 0 0 0 0 0 0 0 0 0 PRESSAVG: 121600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121600 0 0 0 0 0 0 0 0 0 TIMING: 121600 CPU: 484.836, 0.0039805/step Wall: 484.836, 0.0039805/step, 0.418395 hours remaining, 109.511719 MB of memory in use. ENERGY: 121600 645.3431 1875.6912 2039.9430 107.1228 -15.1093 -1009.0445 146.7915 0.0000 2689.2837 6480.0216 297.0389 3790.7379 6512.3544 299.7148 PRESSURE: 121700 0 0 0 0 0 0 0 0 0 GPRESSURE: 121700 0 0 0 0 0 0 0 0 0 PRESSAVG: 121700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121700 0 0 0 0 0 0 0 0 0 TIMING: 121700 CPU: 485.233, 0.00396908/step Wall: 485.233, 0.00396908/step, 0.417084 hours remaining, 109.511719 MB of memory in use. ENERGY: 121700 639.8182 1873.7188 2012.9893 106.1928 -15.3630 -1003.3045 165.8319 0.0000 2687.4247 6467.3081 296.8335 3779.8834 6499.6738 300.1277 PRESSURE: 121800 0 0 0 0 0 0 0 0 0 GPRESSURE: 121800 0 0 0 0 0 0 0 0 0 PRESSAVG: 121800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121800 0 0 0 0 0 0 0 0 0 TIMING: 121800 CPU: 485.63, 0.00397006/step Wall: 485.63, 0.00397006/step, 0.417077 hours remaining, 109.511719 MB of memory in use. ENERGY: 121800 699.2111 1813.2796 2043.4059 98.4627 -13.8882 -1012.5783 164.1909 0.0000 2681.4468 6473.5303 296.1733 3792.0835 6505.4552 298.7370 PRESSURE: 121900 0 0 0 0 0 0 0 0 0 GPRESSURE: 121900 0 0 0 0 0 0 0 0 0 PRESSAVG: 121900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 121900 0 0 0 0 0 0 0 0 0 TIMING: 121900 CPU: 486.028, 0.00398458/step Wall: 486.028, 0.00398458/step, 0.418492 hours remaining, 109.511719 MB of memory in use. ENERGY: 121900 637.3558 1918.7492 1985.2697 106.3145 -13.8676 -1059.7716 161.6177 0.0000 2720.2273 6455.8952 300.4567 3735.6678 6488.5781 299.8957 PRESSURE: 122000 0 0 0 0 0 0 0 0 0 GPRESSURE: 122000 0 0 0 0 0 0 0 0 0 PRESSAVG: 122000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122000 0 0 0 0 0 0 0 0 0 TIMING: 122000 CPU: 486.425, 0.00397006/step Wall: 486.425, 0.00397006/step, 0.416856 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 122000 667.0835 1910.1175 2001.9020 105.8801 -14.1549 -1037.6345 180.9174 0.0000 2693.7927 6507.9038 297.5369 3814.1111 6541.7298 299.7371 PRESSURE: 122100 0 0 0 0 0 0 0 0 0 GPRESSURE: 122100 0 0 0 0 0 0 0 0 0 PRESSAVG: 122100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122100 0 0 0 0 0 0 0 0 0 TIMING: 122100 CPU: 486.823, 0.00398317/step Wall: 486.823, 0.00398317/step, 0.418122 hours remaining, 109.511719 MB of memory in use. ENERGY: 122100 643.1578 1884.7693 1977.5808 107.9351 -14.7931 -1027.9332 148.6179 0.0000 2787.9989 6507.3335 307.9422 3719.3346 6542.2243 301.4883 PRESSURE: 122200 0 0 0 0 0 0 0 0 0 GPRESSURE: 122200 0 0 0 0 0 0 0 0 0 PRESSAVG: 122200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122200 0 0 0 0 0 0 0 0 0 TIMING: 122200 CPU: 487.221, 0.0039723/step Wall: 487.221, 0.0039723/step, 0.416871 hours remaining, 109.511719 MB of memory in use. ENERGY: 122200 647.3073 1929.0363 2000.3788 93.7135 -14.4162 -1083.1879 157.8748 0.0000 2740.2028 6470.9093 302.6630 3730.7066 6506.8601 300.4911 PRESSURE: 122300 0 0 0 0 0 0 0 0 0 GPRESSURE: 122300 0 0 0 0 0 0 0 0 0 PRESSAVG: 122300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122300 0 0 0 0 0 0 0 0 0 TIMING: 122300 CPU: 487.618, 0.00397266/step Wall: 487.618, 0.00397266/step, 0.416798 hours remaining, 109.511719 MB of memory in use. ENERGY: 122300 663.0331 1840.3375 2033.2800 105.6443 -13.7680 -1022.1833 177.1225 0.0000 2676.5229 6459.9890 295.6294 3783.4661 6491.0836 298.3370 PRESSURE: 122400 0 0 0 0 0 0 0 0 0 GPRESSURE: 122400 0 0 0 0 0 0 0 0 0 PRESSAVG: 122400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122400 0 0 0 0 0 0 0 0 0 TIMING: 122400 CPU: 488.016, 0.00398372/step Wall: 488.016, 0.00398372/step, 0.417848 hours remaining, 109.511719 MB of memory in use. ENERGY: 122400 656.4477 1873.8942 1999.5775 105.7795 -15.2014 -1027.4279 156.8604 0.0000 2730.2655 6480.1955 301.5654 3749.9300 6514.7032 298.8924 PRESSURE: 122500 0 0 0 0 0 0 0 0 0 GPRESSURE: 122500 0 0 0 0 0 0 0 0 0 PRESSAVG: 122500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122500 0 0 0 0 0 0 0 0 0 TIMING: 122500 CPU: 488.414, 0.00397274/step Wall: 488.414, 0.00397274/step, 0.416586 hours remaining, 109.511719 MB of memory in use. ENERGY: 122500 656.2741 1890.2782 2020.9650 108.7011 -14.6122 -1063.4074 163.7064 0.0000 2715.8644 6477.7698 299.9748 3761.9053 6510.7635 298.2038 PRESSURE: 122600 0 0 0 0 0 0 0 0 0 GPRESSURE: 122600 0 0 0 0 0 0 0 0 0 PRESSAVG: 122600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122600 0 0 0 0 0 0 0 0 0 TIMING: 122600 CPU: 488.812, 0.00398439/step Wall: 488.812, 0.00398439/step, 0.417697 hours remaining, 109.511719 MB of memory in use. ENERGY: 122600 628.4844 1873.7340 2020.0404 123.9052 -13.7265 -1055.2709 150.6346 0.0000 2727.3439 6455.1452 301.2427 3727.8012 6489.2655 299.1438 PRESSURE: 122700 0 0 0 0 0 0 0 0 0 GPRESSURE: 122700 0 0 0 0 0 0 0 0 0 PRESSAVG: 122700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122700 0 0 0 0 0 0 0 0 0 TIMING: 122700 CPU: 489.209, 0.00396882/step Wall: 489.209, 0.00396882/step, 0.415954 hours remaining, 109.511719 MB of memory in use. ENERGY: 122700 663.3838 1873.2553 2000.3290 102.4761 -14.7109 -1055.8122 171.1845 0.0000 2712.5589 6452.6646 299.6097 3740.1057 6486.6681 299.0246 PRESSURE: 122800 0 0 0 0 0 0 0 0 0 GPRESSURE: 122800 0 0 0 0 0 0 0 0 0 PRESSAVG: 122800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122800 0 0 0 0 0 0 0 0 0 TIMING: 122800 CPU: 489.606, 0.00397373/step Wall: 489.606, 0.00397373/step, 0.416359 hours remaining, 109.511719 MB of memory in use. ENERGY: 122800 696.3196 1907.1592 1995.8305 88.6660 -14.2078 -1052.4201 181.5859 0.0000 2675.1937 6478.1271 295.4826 3802.9334 6508.8779 298.6023 PRESSURE: 122900 0 0 0 0 0 0 0 0 0 GPRESSURE: 122900 0 0 0 0 0 0 0 0 0 PRESSAVG: 122900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 122900 0 0 0 0 0 0 0 0 0 TIMING: 122900 CPU: 490.005, 0.00398417/step Wall: 490.005, 0.00398417/step, 0.417342 hours remaining, 109.511719 MB of memory in use. ENERGY: 122900 695.8432 1858.1096 2010.6166 94.7658 -14.5031 -1062.6656 157.8759 0.0000 2717.5922 6457.6346 300.1656 3740.0424 6490.9184 299.3399 PRESSURE: 123000 0 0 0 0 0 0 0 0 0 GPRESSURE: 123000 0 0 0 0 0 0 0 0 0 PRESSAVG: 123000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123000 0 0 0 0 0 0 0 0 0 TIMING: 123000 CPU: 490.402, 0.00397266/step Wall: 490.402, 0.00397266/step, 0.416026 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 123000 645.4323 1887.2875 2007.2565 96.8220 -14.5675 -1051.1220 168.2807 0.0000 2728.3298 6467.7192 301.3516 3739.3894 6501.1210 298.8362 PRESSURE: 123100 0 0 0 0 0 0 0 0 0 GPRESSURE: 123100 0 0 0 0 0 0 0 0 0 PRESSAVG: 123100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123100 0 0 0 0 0 0 0 0 0 TIMING: 123100 CPU: 490.801, 0.00398728/step Wall: 490.801, 0.00398728/step, 0.417446 hours remaining, 109.511719 MB of memory in use. ENERGY: 123100 653.9531 1870.8377 2013.2273 105.9205 -14.7881 -1039.4308 161.1409 0.0000 2716.3850 6467.2456 300.0323 3750.8606 6502.2612 299.4100 PRESSURE: 123200 0 0 0 0 0 0 0 0 0 GPRESSURE: 123200 0 0 0 0 0 0 0 0 0 PRESSAVG: 123200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123200 0 0 0 0 0 0 0 0 0 TIMING: 123200 CPU: 491.198, 0.00397317/step Wall: 491.198, 0.00397317/step, 0.415858 hours remaining, 109.511719 MB of memory in use. ENERGY: 123200 676.4484 1906.6014 1996.8252 96.1426 -14.9647 -1079.4534 168.7478 0.0000 2737.3541 6487.7013 302.3484 3750.3472 6522.1904 300.2376 PRESSURE: 123300 0 0 0 0 0 0 0 0 0 GPRESSURE: 123300 0 0 0 0 0 0 0 0 0 PRESSAVG: 123300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123300 0 0 0 0 0 0 0 0 0 TIMING: 123300 CPU: 491.596, 0.00397598/step Wall: 491.596, 0.00397598/step, 0.416042 hours remaining, 109.511719 MB of memory in use. ENERGY: 123300 650.7822 1881.9579 2016.5612 116.4065 -16.1253 -1051.2789 169.0644 0.0000 2695.5536 6462.9216 297.7314 3767.3681 6495.2236 299.3853 PRESSURE: 123400 0 0 0 0 0 0 0 0 0 GPRESSURE: 123400 0 0 0 0 0 0 0 0 0 PRESSAVG: 123400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123400 0 0 0 0 0 0 0 0 0 TIMING: 123400 CPU: 491.994, 0.00398266/step Wall: 491.994, 0.00398266/step, 0.416631 hours remaining, 109.511719 MB of memory in use. ENERGY: 123400 668.5186 1865.3818 2035.6605 110.9733 -14.2654 -1068.6791 163.7602 0.0000 2705.6060 6466.9558 298.8417 3761.3499 6501.8921 299.2503 PRESSURE: 123500 0 0 0 0 0 0 0 0 0 GPRESSURE: 123500 0 0 0 0 0 0 0 0 0 PRESSAVG: 123500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123500 0 0 0 0 0 0 0 0 0 TIMING: 123500 CPU: 492.391, 0.00397406/step Wall: 492.391, 0.00397406/step, 0.41562 hours remaining, 109.511719 MB of memory in use. ENERGY: 123500 651.8878 1893.0846 1991.6762 106.4165 -15.5843 -1038.6040 151.7934 0.0000 2687.1595 6427.8297 296.8043 3740.6702 6460.1466 298.3493 PRESSURE: 123600 0 0 0 0 0 0 0 0 0 GPRESSURE: 123600 0 0 0 0 0 0 0 0 0 PRESSAVG: 123600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123600 0 0 0 0 0 0 0 0 0 TIMING: 123600 CPU: 492.789, 0.00398233/step Wall: 492.789, 0.00398233/step, 0.416375 hours remaining, 109.511719 MB of memory in use. ENERGY: 123600 639.1539 1865.4993 2007.0476 115.5765 -14.0472 -1045.3120 147.8982 0.0000 2696.1775 6411.9939 297.8003 3715.8164 6444.4291 296.2388 PRESSURE: 123700 0 0 0 0 0 0 0 0 0 GPRESSURE: 123700 0 0 0 0 0 0 0 0 0 PRESSAVG: 123700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123700 0 0 0 0 0 0 0 0 0 TIMING: 123700 CPU: 493.186, 0.00396837/step Wall: 493.186, 0.00396837/step, 0.414805 hours remaining, 109.511719 MB of memory in use. ENERGY: 123700 611.0350 1864.4118 2003.8147 113.5432 -13.9335 -1030.7156 163.5496 0.0000 2700.7425 6412.4477 298.3045 3711.7052 6445.7700 297.3522 PRESSURE: 123800 0 0 0 0 0 0 0 0 0 GPRESSURE: 123800 0 0 0 0 0 0 0 0 0 PRESSAVG: 123800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123800 0 0 0 0 0 0 0 0 0 TIMING: 123800 CPU: 493.584, 0.00397462/step Wall: 493.584, 0.00397462/step, 0.415348 hours remaining, 109.511719 MB of memory in use. ENERGY: 123800 641.8007 1905.9370 2013.6196 120.1584 -14.7780 -1073.7990 165.0230 0.0000 2654.0235 6411.9852 293.1443 3757.9617 6444.5709 296.1685 PRESSURE: 123900 0 0 0 0 0 0 0 0 0 GPRESSURE: 123900 0 0 0 0 0 0 0 0 0 PRESSAVG: 123900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 123900 0 0 0 0 0 0 0 0 0 TIMING: 123900 CPU: 493.982, 0.00398055/step Wall: 493.982, 0.00398055/step, 0.415857 hours remaining, 109.511719 MB of memory in use. ENERGY: 123900 623.3883 1899.6206 2036.5499 114.8595 -14.7080 -1049.1172 163.6552 0.0000 2645.4179 6419.6662 292.1938 3774.2483 6449.6848 296.4931 PRESSURE: 124000 0 0 0 0 0 0 0 0 0 GPRESSURE: 124000 0 0 0 0 0 0 0 0 0 PRESSAVG: 124000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124000 0 0 0 0 0 0 0 0 0 TIMING: 124000 CPU: 494.379, 0.00397094/step Wall: 494.379, 0.00397094/step, 0.414743 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 124000 659.2747 1856.6116 1993.7700 102.9878 -15.7435 -1029.5293 167.5286 0.0000 2709.4443 6444.3443 299.2657 3734.8999 6476.5845 298.2926 PRESSURE: 124100 0 0 0 0 0 0 0 0 0 GPRESSURE: 124100 0 0 0 0 0 0 0 0 0 PRESSAVG: 124100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124100 0 0 0 0 0 0 0 0 0 TIMING: 124100 CPU: 494.777, 0.00397971/step Wall: 494.777, 0.00397971/step, 0.415548 hours remaining, 109.511719 MB of memory in use. ENERGY: 124100 670.5719 1857.2425 2041.0626 127.7177 -14.7633 -1052.5899 161.8989 0.0000 2671.5313 6462.6717 295.0781 3791.1404 6492.6466 298.5871 PRESSURE: 124200 0 0 0 0 0 0 0 0 0 GPRESSURE: 124200 0 0 0 0 0 0 0 0 0 PRESSAVG: 124200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124200 0 0 0 0 0 0 0 0 0 TIMING: 124200 CPU: 495.174, 0.00397105/step Wall: 495.174, 0.00397105/step, 0.414533 hours remaining, 109.511719 MB of memory in use. ENERGY: 124200 645.5735 1874.0085 2030.6073 110.4171 -15.1546 -1029.9480 157.5545 0.0000 2727.7924 6500.8506 301.2923 3773.0582 6531.7472 299.1314 LDB: ============= START OF LOAD BALANCING ============== 497.949 LDB: ============== END OF LOAD BALANCING =============== 497.949 LDB: =============== DONE WITH MIGRATION ================ 497.949 PRESSURE: 124300 0 0 0 0 0 0 0 0 0 GPRESSURE: 124300 0 0 0 0 0 0 0 0 0 PRESSAVG: 124300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124300 0 0 0 0 0 0 0 0 0 TIMING: 124300 CPU: 495.572, 0.00397638/step Wall: 495.572, 0.00397638/step, 0.41498 hours remaining, 109.511719 MB of memory in use. ENERGY: 124300 622.5946 1928.3558 1993.7521 109.1215 -13.8079 -1076.7897 164.9612 0.0000 2717.5855 6445.7732 300.1649 3728.1877 6478.4864 298.5267 LDB: ============= START OF LOAD BALANCING ============== 498.348 LDB: ============== END OF LOAD BALANCING =============== 498.348 LDB: =============== DONE WITH MIGRATION ================ 498.348 PRESSURE: 124400 0 0 0 0 0 0 0 0 0 GPRESSURE: 124400 0 0 0 0 0 0 0 0 0 PRESSAVG: 124400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124400 0 0 0 0 0 0 0 0 0 TIMING: 124400 CPU: 495.971, 0.00399033/step Wall: 495.971, 0.00399033/step, 0.416324 hours remaining, 109.511719 MB of memory in use. ENERGY: 124400 626.3166 1858.3030 1988.1344 95.6032 -14.4156 -998.8524 161.4070 0.0000 2743.0310 6459.5272 302.9754 3716.4961 6493.0101 297.2640 PRESSURE: 124500 0 0 0 0 0 0 0 0 0 GPRESSURE: 124500 0 0 0 0 0 0 0 0 0 PRESSAVG: 124500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124500 0 0 0 0 0 0 0 0 0 TIMING: 124500 CPU: 496.368, 0.00397278/step Wall: 496.368, 0.00397277/step, 0.414382 hours remaining, 109.511719 MB of memory in use. ENERGY: 124500 621.5724 1881.3059 2002.4978 117.2800 -14.4480 -1034.6150 170.4285 0.0000 2706.1491 6450.1706 298.9017 3744.0216 6484.4212 298.2460 PRESSURE: 124600 0 0 0 0 0 0 0 0 0 GPRESSURE: 124600 0 0 0 0 0 0 0 0 0 PRESSAVG: 124600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124600 0 0 0 0 0 0 0 0 0 TIMING: 124600 CPU: 496.766, 0.00398362/step Wall: 496.766, 0.00398363/step, 0.415404 hours remaining, 109.511719 MB of memory in use. ENERGY: 124600 659.5621 1871.1987 2028.6366 103.6639 -14.7752 -1028.6621 162.7933 0.0000 2673.2471 6455.6644 295.2676 3782.4173 6487.6459 298.7696 PRESSURE: 124700 0 0 0 0 0 0 0 0 0 GPRESSURE: 124700 0 0 0 0 0 0 0 0 0 PRESSAVG: 124700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124700 0 0 0 0 0 0 0 0 0 TIMING: 124700 CPU: 497.163, 0.00397064/step Wall: 497.163, 0.00397064/step, 0.413939 hours remaining, 109.511719 MB of memory in use. ENERGY: 124700 653.3313 1873.6549 1994.3183 113.2432 -14.3091 -1004.2335 172.2358 0.0000 2663.8565 6452.0974 294.2304 3788.2409 6480.8292 298.8437 PRESSURE: 124800 0 0 0 0 0 0 0 0 0 GPRESSURE: 124800 0 0 0 0 0 0 0 0 0 PRESSAVG: 124800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124800 0 0 0 0 0 0 0 0 0 TIMING: 124800 CPU: 497.561, 0.00397286/step Wall: 497.561, 0.00397286/step, 0.41406 hours remaining, 109.511719 MB of memory in use. ENERGY: 124800 657.2387 1867.8330 2025.8514 104.3340 -14.9223 -1039.0386 164.9204 0.0000 2733.3246 6499.5412 301.9033 3766.2166 6532.4858 300.7536 PRESSURE: 124900 0 0 0 0 0 0 0 0 0 GPRESSURE: 124900 0 0 0 0 0 0 0 0 0 PRESSAVG: 124900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 124900 0 0 0 0 0 0 0 0 0 TIMING: 124900 CPU: 497.959, 0.00397909/step Wall: 497.959, 0.00397909/step, 0.414599 hours remaining, 109.511719 MB of memory in use. ENERGY: 124900 637.1393 1862.8396 2008.1732 115.1190 -15.3337 -1054.7126 152.1979 0.0000 2757.9540 6463.3767 304.6237 3705.4228 6497.5864 299.8305 PRESSURE: 125000 0 0 0 0 0 0 0 0 0 GPRESSURE: 125000 0 0 0 0 0 0 0 0 0 PRESSAVG: 125000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125000 0 0 0 0 0 0 0 0 0 TIMING: 125000 CPU: 498.356, 0.00397063/step Wall: 498.356, 0.00397063/step, 0.413607 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 125000 634.5780 1927.0397 1996.5702 108.8869 -14.5322 -1046.9257 162.4517 0.0000 2768.0936 6536.1623 305.7436 3768.0688 6571.8444 301.5404 PRESSURE: 125100 0 0 0 0 0 0 0 0 0 GPRESSURE: 125100 0 0 0 0 0 0 0 0 0 PRESSAVG: 125100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125100 0 0 0 0 0 0 0 0 0 TIMING: 125100 CPU: 498.753, 0.003972/step Wall: 498.753, 0.003972/step, 0.41364 hours remaining, 109.511719 MB of memory in use. ENERGY: 125100 664.9282 1906.2382 2010.1481 94.0219 -14.0727 -1034.2624 177.3680 0.0000 2765.2833 6569.6527 305.4332 3804.3694 6604.1071 304.1439 PRESSURE: 125200 0 0 0 0 0 0 0 0 0 GPRESSURE: 125200 0 0 0 0 0 0 0 0 0 PRESSAVG: 125200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125200 0 0 0 0 0 0 0 0 0 TIMING: 125200 CPU: 499.151, 0.00398079/step Wall: 499.151, 0.00398079/step, 0.414444 hours remaining, 109.511719 MB of memory in use. ENERGY: 125200 696.5444 1913.2378 2001.7065 101.8854 -13.6989 -1038.6581 169.9137 0.0000 2706.2892 6537.2201 298.9172 3830.9308 6571.9255 304.1982 PRESSURE: 125300 0 0 0 0 0 0 0 0 0 GPRESSURE: 125300 0 0 0 0 0 0 0 0 0 PRESSAVG: 125300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125300 0 0 0 0 0 0 0 0 0 TIMING: 125300 CPU: 499.548, 0.00397471/step Wall: 499.548, 0.00397471/step, 0.413701 hours remaining, 109.511719 MB of memory in use. ENERGY: 125300 640.3312 1918.4267 2041.2100 106.5596 -14.7024 -1057.0729 163.2741 0.0000 2765.6491 6563.6754 305.4737 3798.0263 6596.8034 303.3833 PRESSURE: 125400 0 0 0 0 0 0 0 0 0 GPRESSURE: 125400 0 0 0 0 0 0 0 0 0 PRESSAVG: 125400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125400 0 0 0 0 0 0 0 0 0 TIMING: 125400 CPU: 499.946, 0.00398096/step Wall: 499.946, 0.00398096/step, 0.414241 hours remaining, 109.511719 MB of memory in use. ENERGY: 125400 691.6612 1884.4310 2033.7765 108.7810 -14.5943 -1021.9233 157.7450 0.0000 2721.2921 6561.1693 300.5743 3839.8772 6593.9182 303.8850 PRESSURE: 125500 0 0 0 0 0 0 0 0 0 GPRESSURE: 125500 0 0 0 0 0 0 0 0 0 PRESSAVG: 125500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125500 0 0 0 0 0 0 0 0 0 TIMING: 125500 CPU: 500.344, 0.00397353/step Wall: 500.344, 0.00397353/step, 0.413357 hours remaining, 109.511719 MB of memory in use. ENERGY: 125500 641.9759 1942.0995 2013.2701 111.6243 -14.2900 -1068.9176 163.1525 0.0000 2758.9902 6547.9049 304.7382 3788.9147 6584.1719 304.6195 PRESSURE: 125600 0 0 0 0 0 0 0 0 0 GPRESSURE: 125600 0 0 0 0 0 0 0 0 0 PRESSAVG: 125600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125600 0 0 0 0 0 0 0 0 0 TIMING: 125600 CPU: 500.741, 0.0039703/step Wall: 500.741, 0.0039703/step, 0.412911 hours remaining, 109.511719 MB of memory in use. ENERGY: 125600 633.7863 1926.4957 1992.8491 90.1290 -14.9594 -1023.7175 162.4409 0.0000 2736.6964 6503.7206 302.2757 3767.0242 6535.5030 302.1341 PRESSURE: 125700 0 0 0 0 0 0 0 0 0 GPRESSURE: 125700 0 0 0 0 0 0 0 0 0 PRESSAVG: 125700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125700 0 0 0 0 0 0 0 0 0 TIMING: 125700 CPU: 501.139, 0.00397939/step Wall: 501.139, 0.00397939/step, 0.413746 hours remaining, 109.511719 MB of memory in use. ENERGY: 125700 670.0247 1912.3904 2005.2512 94.3014 -14.9869 -1066.5071 184.4720 0.0000 2736.9670 6521.9127 302.3056 3784.9457 6552.3178 302.2698 PRESSURE: 125800 0 0 0 0 0 0 0 0 0 GPRESSURE: 125800 0 0 0 0 0 0 0 0 0 PRESSAVG: 125800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125800 0 0 0 0 0 0 0 0 0 TIMING: 125800 CPU: 501.536, 0.00397192/step Wall: 501.536, 0.00397192/step, 0.412859 hours remaining, 109.511719 MB of memory in use. ENERGY: 125800 640.8563 1900.1217 2012.8741 99.8386 -14.7849 -1032.9325 161.4786 0.0000 2733.1829 6500.6347 301.8877 3767.4517 6538.0568 301.3472 PRESSURE: 125900 0 0 0 0 0 0 0 0 0 GPRESSURE: 125900 0 0 0 0 0 0 0 0 0 PRESSAVG: 125900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 125900 0 0 0 0 0 0 0 0 0 TIMING: 125900 CPU: 501.934, 0.00398138/step Wall: 501.934, 0.00398138/step, 0.413732 hours remaining, 109.511719 MB of memory in use. ENERGY: 125900 691.7531 1931.5454 2043.4328 98.1740 -15.5395 -1055.7651 158.9105 0.0000 2686.3134 6538.8247 296.7108 3852.5113 6571.1782 301.4605 PRESSURE: 126000 0 0 0 0 0 0 0 0 0 GPRESSURE: 126000 0 0 0 0 0 0 0 0 0 PRESSAVG: 126000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126000 0 0 0 0 0 0 0 0 0 TIMING: 126000 CPU: 502.331, 0.00396986/step Wall: 502.331, 0.00396986/step, 0.412424 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 126000 682.6110 1844.8699 2027.5085 105.1981 -15.0275 -1027.4006 162.4161 0.0000 2714.6799 6494.8554 299.8440 3780.1755 6524.6204 300.9007 PRESSURE: 126100 0 0 0 0 0 0 0 0 0 GPRESSURE: 126100 0 0 0 0 0 0 0 0 0 PRESSAVG: 126100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126100 0 0 0 0 0 0 0 0 0 TIMING: 126100 CPU: 502.728, 0.00397029/step Wall: 502.728, 0.00397029/step, 0.412359 hours remaining, 109.511719 MB of memory in use. ENERGY: 126100 648.8749 1942.8676 2006.2804 104.6523 -15.2484 -1023.8453 152.5670 0.0000 2687.9961 6504.1446 296.8967 3816.1484 6538.2936 300.5368 PRESSURE: 126200 0 0 0 0 0 0 0 0 0 GPRESSURE: 126200 0 0 0 0 0 0 0 0 0 PRESSAVG: 126200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126200 0 0 0 0 0 0 0 0 0 TIMING: 126200 CPU: 503.127, 0.00398463/step Wall: 503.127, 0.00398462/step, 0.413736 hours remaining, 109.511719 MB of memory in use. ENERGY: 126200 626.1626 1893.6337 2014.2087 113.3071 -16.1769 -986.5542 167.1652 0.0000 2748.3475 6560.0937 303.5626 3811.7462 6591.4679 303.1480 PRESSURE: 126300 0 0 0 0 0 0 0 0 0 GPRESSURE: 126300 0 0 0 0 0 0 0 0 0 PRESSAVG: 126300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126300 0 0 0 0 0 0 0 0 0 TIMING: 126300 CPU: 503.524, 0.00397373/step Wall: 503.524, 0.00397374/step, 0.412496 hours remaining, 109.511719 MB of memory in use. ENERGY: 126300 709.5354 1891.3826 2007.4033 102.8630 -14.2474 -1009.4024 168.2217 0.0000 2782.8047 6638.5610 307.3685 3855.7562 6671.5788 306.9467 PRESSURE: 126400 0 0 0 0 0 0 0 0 0 GPRESSURE: 126400 0 0 0 0 0 0 0 0 0 PRESSAVG: 126400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126400 0 0 0 0 0 0 0 0 0 TIMING: 126400 CPU: 503.922, 0.00398038/step Wall: 503.922, 0.00398038/step, 0.413075 hours remaining, 109.511719 MB of memory in use. ENERGY: 126400 647.9579 1953.7936 2017.3348 93.3483 -14.7038 -1038.4973 179.4903 0.0000 2804.9152 6643.6389 309.8107 3838.7237 6680.3677 308.7857 PRESSURE: 126500 0 0 0 0 0 0 0 0 0 GPRESSURE: 126500 0 0 0 0 0 0 0 0 0 PRESSAVG: 126500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126500 0 0 0 0 0 0 0 0 0 TIMING: 126500 CPU: 504.319, 0.00397492/step Wall: 504.319, 0.00397492/step, 0.412398 hours remaining, 109.511719 MB of memory in use. ENERGY: 126500 653.7809 1938.6228 2009.3116 102.2673 -13.6940 -1036.2813 174.3035 0.0000 2789.1730 6617.4838 308.0719 3828.3108 6650.9731 308.2988 PRESSURE: 126600 0 0 0 0 0 0 0 0 0 GPRESSURE: 126600 0 0 0 0 0 0 0 0 0 PRESSAVG: 126600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126600 0 0 0 0 0 0 0 0 0 TIMING: 126600 CPU: 504.717, 0.00397282/step Wall: 504.717, 0.00397282/step, 0.41207 hours remaining, 109.511719 MB of memory in use. ENERGY: 126600 682.4387 1904.9175 2013.3749 121.7734 -16.1314 -1025.7909 171.3069 0.0000 2785.5121 6637.4012 307.6676 3851.8891 6671.2883 308.2243 PRESSURE: 126700 0 0 0 0 0 0 0 0 0 GPRESSURE: 126700 0 0 0 0 0 0 0 0 0 PRESSAVG: 126700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126700 0 0 0 0 0 0 0 0 0 TIMING: 126700 CPU: 505.115, 0.00397976/step Wall: 505.115, 0.00397976/step, 0.412679 hours remaining, 109.511719 MB of memory in use. ENERGY: 126700 690.9005 1924.4029 2030.5865 115.3665 -14.5546 -1061.5795 173.7487 0.0000 2809.4814 6668.3525 310.3150 3858.8711 6701.9352 308.7443 PRESSURE: 126800 0 0 0 0 0 0 0 0 0 GPRESSURE: 126800 0 0 0 0 0 0 0 0 0 PRESSAVG: 126800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126800 0 0 0 0 0 0 0 0 0 TIMING: 126800 CPU: 505.512, 0.0039697/step Wall: 505.512, 0.0039697/step, 0.411526 hours remaining, 109.511719 MB of memory in use. ENERGY: 126800 618.5357 1922.6658 2017.4761 105.2535 -13.4692 -1035.3517 174.4622 0.0000 2853.1105 6642.6828 315.1340 3789.5723 6679.3723 308.6005 PRESSURE: 126900 0 0 0 0 0 0 0 0 0 GPRESSURE: 126900 0 0 0 0 0 0 0 0 0 PRESSAVG: 126900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 126900 0 0 0 0 0 0 0 0 0 TIMING: 126900 CPU: 505.91, 0.00398151/step Wall: 505.91, 0.00398151/step, 0.412639 hours remaining, 109.511719 MB of memory in use. ENERGY: 126900 655.7783 1944.7994 2005.3511 118.7271 -13.7162 -1021.1217 176.3804 0.0000 2776.1236 6642.3221 306.6306 3866.1985 6675.1942 308.5794 PRESSURE: 127000 0 0 0 0 0 0 0 0 0 GPRESSURE: 127000 0 0 0 0 0 0 0 0 0 PRESSAVG: 127000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127000 0 0 0 0 0 0 0 0 0 TIMING: 127000 CPU: 506.307, 0.00397141/step Wall: 506.307, 0.00397141/step, 0.411482 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 127000 694.5046 1928.1371 1987.1606 109.2234 -14.2772 -1032.4694 164.6067 0.0000 2786.3244 6623.2101 307.7573 3836.8857 6657.2119 306.2510 PRESSURE: 127100 0 0 0 0 0 0 0 0 0 GPRESSURE: 127100 0 0 0 0 0 0 0 0 0 PRESSAVG: 127100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127100 0 0 0 0 0 0 0 0 0 TIMING: 127100 CPU: 506.704, 0.00397128/step Wall: 506.704, 0.00397128/step, 0.411358 hours remaining, 109.511719 MB of memory in use. ENERGY: 127100 604.3803 1916.9978 2016.2531 116.2457 -14.7166 -1011.6905 177.1952 0.0000 2806.8273 6611.4924 310.0219 3804.6651 6646.6396 307.8210 PRESSURE: 127200 0 0 0 0 0 0 0 0 0 GPRESSURE: 127200 0 0 0 0 0 0 0 0 0 PRESSAVG: 127200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127200 0 0 0 0 0 0 0 0 0 TIMING: 127200 CPU: 507.102, 0.00398318/step Wall: 507.102, 0.00398318/step, 0.41248 hours remaining, 109.511719 MB of memory in use. ENERGY: 127200 649.4729 1931.3965 2026.8824 100.4664 -14.9653 -1023.4034 170.2328 0.0000 2760.8843 6600.9666 304.9474 3840.0823 6637.4221 306.5219 PRESSURE: 127300 0 0 0 0 0 0 0 0 0 GPRESSURE: 127300 0 0 0 0 0 0 0 0 0 PRESSAVG: 127300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127300 0 0 0 0 0 0 0 0 0 TIMING: 127300 CPU: 507.5, 0.00397271/step Wall: 507.5, 0.00397271/step, 0.411286 hours remaining, 109.511719 MB of memory in use. ENERGY: 127300 646.1206 1907.6968 2047.3109 108.4200 -13.8652 -1024.7551 168.6806 0.0000 2792.7010 6632.3096 308.4616 3839.6086 6664.4749 307.4209 PRESSURE: 127400 0 0 0 0 0 0 0 0 0 GPRESSURE: 127400 0 0 0 0 0 0 0 0 0 PRESSAVG: 127400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127400 0 0 0 0 0 0 0 0 0 TIMING: 127400 CPU: 507.898, 0.00398304/step Wall: 507.898, 0.00398304/step, 0.412245 hours remaining, 109.511719 MB of memory in use. ENERGY: 127400 669.6641 1944.7499 2042.8173 97.7405 -14.6997 -1039.6510 170.5641 0.0000 2784.8564 6656.0416 307.5951 3871.1852 6687.3225 308.5447 PRESSURE: 127500 0 0 0 0 0 0 0 0 0 GPRESSURE: 127500 0 0 0 0 0 0 0 0 0 PRESSAVG: 127500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127500 0 0 0 0 0 0 0 0 0 TIMING: 127500 CPU: 508.295, 0.00397029/step Wall: 508.295, 0.00397028/step, 0.410814 hours remaining, 109.511719 MB of memory in use. ENERGY: 127500 643.0766 1973.8383 2009.9631 104.4567 -14.4461 -1070.1353 166.5428 0.0000 2783.4219 6596.7179 307.4367 3813.2960 6630.2755 306.5539 PRESSURE: 127600 0 0 0 0 0 0 0 0 0 GPRESSURE: 127600 0 0 0 0 0 0 0 0 0 PRESSAVG: 127600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127600 0 0 0 0 0 0 0 0 0 TIMING: 127600 CPU: 508.692, 0.00397238/step Wall: 508.692, 0.00397239/step, 0.410922 hours remaining, 109.511719 MB of memory in use. ENERGY: 127600 664.6693 1901.8754 2009.5164 99.8606 -14.8586 -1021.9276 165.1536 0.0000 2821.0059 6625.2950 311.5880 3804.2891 6657.3155 307.4515 PRESSURE: 127700 0 0 0 0 0 0 0 0 0 GPRESSURE: 127700 0 0 0 0 0 0 0 0 0 PRESSAVG: 127700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127700 0 0 0 0 0 0 0 0 0 TIMING: 127700 CPU: 509.09, 0.00398161/step Wall: 509.09, 0.00398161/step, 0.411765 hours remaining, 109.511719 MB of memory in use. ENERGY: 127700 700.0080 1910.2439 2018.1694 117.0240 -14.9612 -1034.9217 180.2249 0.0000 2757.7747 6633.5620 304.6039 3875.7873 6668.8396 307.9826 PRESSURE: 127800 0 0 0 0 0 0 0 0 0 GPRESSURE: 127800 0 0 0 0 0 0 0 0 0 PRESSAVG: 127800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127800 0 0 0 0 0 0 0 0 0 TIMING: 127800 CPU: 509.488, 0.00397263/step Wall: 509.488, 0.00397263/step, 0.410726 hours remaining, 109.511719 MB of memory in use. ENERGY: 127800 658.0202 1953.6476 2022.3913 102.4059 -15.6819 -1025.8569 148.4844 0.0000 2735.2357 6578.6464 302.1144 3843.4107 6608.9600 305.5961 PRESSURE: 127900 0 0 0 0 0 0 0 0 0 GPRESSURE: 127900 0 0 0 0 0 0 0 0 0 PRESSAVG: 127900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 127900 0 0 0 0 0 0 0 0 0 TIMING: 127900 CPU: 509.886, 0.00398237/step Wall: 509.886, 0.00398237/step, 0.411622 hours remaining, 109.511719 MB of memory in use. ENERGY: 127900 664.5359 1948.1757 2027.8039 108.9286 -14.2870 -1038.2149 155.7970 0.0000 2732.8687 6585.6078 301.8530 3852.7391 6617.9953 304.2198 PRESSURE: 128000 0 0 0 0 0 0 0 0 0 GPRESSURE: 128000 0 0 0 0 0 0 0 0 0 PRESSAVG: 128000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128000 0 0 0 0 0 0 0 0 0 TIMING: 128000 CPU: 510.283, 0.00397264/step Wall: 510.283, 0.00397264/step, 0.410506 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 128000 669.4887 1945.1659 2020.3482 104.0946 -14.3683 -1036.3842 173.2040 0.0000 2722.7546 6584.3036 300.7358 3861.5490 6617.8186 305.9065 PRESSURE: 128100 0 0 0 0 0 0 0 0 0 GPRESSURE: 128100 0 0 0 0 0 0 0 0 0 PRESSAVG: 128100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128100 0 0 0 0 0 0 0 0 0 TIMING: 128100 CPU: 510.68, 0.00397144/step Wall: 510.68, 0.00397144/step, 0.410272 hours remaining, 109.511719 MB of memory in use. ENERGY: 128100 662.5985 1886.9300 2039.4803 102.2188 -13.8406 -1040.2647 168.0995 0.0000 2780.2608 6585.4824 307.0876 3805.2216 6622.7402 305.4197 PRESSURE: 128200 0 0 0 0 0 0 0 0 0 GPRESSURE: 128200 0 0 0 0 0 0 0 0 0 PRESSAVG: 128200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128200 0 0 0 0 0 0 0 0 0 TIMING: 128200 CPU: 511.08, 0.00399678/step Wall: 511.08, 0.00399678/step, 0.412779 hours remaining, 109.511719 MB of memory in use. ENERGY: 128200 643.1722 1955.2072 2020.4161 107.3960 -14.0014 -1037.5463 164.7883 0.0000 2785.4211 6624.8532 307.6575 3839.4322 6659.9931 306.2612 LDB: ============= START OF LOAD BALANCING ============== 513.855 LDB: ============== END OF LOAD BALANCING =============== 513.855 LDB: =============== DONE WITH MIGRATION ================ 513.855 PRESSURE: 128300 0 0 0 0 0 0 0 0 0 GPRESSURE: 128300 0 0 0 0 0 0 0 0 0 PRESSAVG: 128300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128300 0 0 0 0 0 0 0 0 0 TIMING: 128300 CPU: 511.477, 0.00397425/step Wall: 511.477, 0.00397425/step, 0.410341 hours remaining, 109.511719 MB of memory in use. ENERGY: 128300 675.8862 1989.2932 2039.3832 112.6494 -15.9457 -1042.2785 156.2375 0.0000 2716.0011 6631.2264 299.9899 3915.2253 6662.9251 307.4363 LDB: ============= START OF LOAD BALANCING ============== 514.254 LDB: ============== END OF LOAD BALANCING =============== 514.254 LDB: =============== DONE WITH MIGRATION ================ 514.254 PRESSURE: 128400 0 0 0 0 0 0 0 0 0 GPRESSURE: 128400 0 0 0 0 0 0 0 0 0 PRESSAVG: 128400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128400 0 0 0 0 0 0 0 0 0 TIMING: 128400 CPU: 511.876, 0.00398648/step Wall: 511.876, 0.00398648/step, 0.411493 hours remaining, 109.511719 MB of memory in use. ENERGY: 128400 693.8579 1899.7225 2002.7554 113.0631 -15.2796 -1015.2038 158.6036 0.0000 2800.9809 6638.5000 309.3761 3837.5192 6673.2835 307.9061 PRESSURE: 128500 0 0 0 0 0 0 0 0 0 GPRESSURE: 128500 0 0 0 0 0 0 0 0 0 PRESSAVG: 128500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128500 0 0 0 0 0 0 0 0 0 TIMING: 128500 CPU: 512.273, 0.00396985/step Wall: 512.273, 0.00396985/step, 0.409666 hours remaining, 109.511719 MB of memory in use. ENERGY: 128500 685.8042 1934.3510 1986.5453 111.0509 -14.6321 -1042.7688 163.9968 0.0000 2779.9707 6604.3179 307.0555 3824.3472 6635.8504 307.6848 PRESSURE: 128600 0 0 0 0 0 0 0 0 0 GPRESSURE: 128600 0 0 0 0 0 0 0 0 0 PRESSAVG: 128600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128600 0 0 0 0 0 0 0 0 0 TIMING: 128600 CPU: 512.67, 0.00397035/step Wall: 512.67, 0.00397035/step, 0.409608 hours remaining, 109.511719 MB of memory in use. ENERGY: 128600 669.3087 1968.4271 2005.2363 100.3671 -14.7462 -1025.9052 155.3942 0.0000 2739.7087 6597.7907 302.6085 3858.0820 6630.1987 306.1697 PRESSURE: 128700 0 0 0 0 0 0 0 0 0 GPRESSURE: 128700 0 0 0 0 0 0 0 0 0 PRESSAVG: 128700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128700 0 0 0 0 0 0 0 0 0 TIMING: 128700 CPU: 513.068, 0.00398303/step Wall: 513.068, 0.00398303/step, 0.410805 hours remaining, 109.511719 MB of memory in use. ENERGY: 128700 663.0326 1930.7179 2024.6427 110.2819 -14.2106 -1014.2378 163.0259 0.0000 2755.8679 6619.1206 304.3933 3863.2527 6652.0738 306.1767 PRESSURE: 128800 0 0 0 0 0 0 0 0 0 GPRESSURE: 128800 0 0 0 0 0 0 0 0 0 PRESSAVG: 128800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128800 0 0 0 0 0 0 0 0 0 TIMING: 128800 CPU: 513.466, 0.00397622/step Wall: 513.466, 0.00397622/step, 0.409992 hours remaining, 109.511719 MB of memory in use. ENERGY: 128800 666.3675 1902.8982 2010.6446 105.8221 -15.9418 -1035.0202 170.0835 0.0000 2760.1895 6565.0434 304.8706 3804.8539 6596.6723 305.2222 PRESSURE: 128900 0 0 0 0 0 0 0 0 0 GPRESSURE: 128900 0 0 0 0 0 0 0 0 0 PRESSAVG: 128900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 128900 0 0 0 0 0 0 0 0 0 TIMING: 128900 CPU: 513.864, 0.00397943/step Wall: 513.864, 0.00397943/step, 0.410213 hours remaining, 109.511719 MB of memory in use. ENERGY: 128900 674.2241 1900.3363 1991.5076 108.3996 -15.9812 -1030.8485 170.0042 0.0000 2758.9934 6556.6354 304.7385 3797.6419 6592.1210 303.9032 PRESSURE: 129000 0 0 0 0 0 0 0 0 0 GPRESSURE: 129000 0 0 0 0 0 0 0 0 0 PRESSAVG: 129000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129000 0 0 0 0 0 0 0 0 0 TIMING: 129000 CPU: 514.261, 0.00397034/step Wall: 514.261, 0.00397034/step, 0.409166 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 129000 679.9912 1888.3248 1984.0258 98.8741 -14.8282 -1034.8333 173.0996 0.0000 2787.6510 6562.3050 307.9038 3774.6540 6596.8729 304.6068 PRESSURE: 129100 0 0 0 0 0 0 0 0 0 GPRESSURE: 129100 0 0 0 0 0 0 0 0 0 PRESSAVG: 129100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129100 0 0 0 0 0 0 0 0 0 TIMING: 129100 CPU: 514.659, 0.00397555/step Wall: 514.659, 0.00397555/step, 0.409592 hours remaining, 109.511719 MB of memory in use. ENERGY: 129100 688.2216 1932.6473 2011.1261 111.9107 -14.6264 -1057.0998 181.4528 0.0000 2719.2454 6572.8777 300.3482 3853.6323 6605.8016 304.1398 PRESSURE: 129200 0 0 0 0 0 0 0 0 0 GPRESSURE: 129200 0 0 0 0 0 0 0 0 0 PRESSAVG: 129200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129200 0 0 0 0 0 0 0 0 0 TIMING: 129200 CPU: 515.056, 0.00397679/step Wall: 515.056, 0.00397679/step, 0.409609 hours remaining, 109.511719 MB of memory in use. ENERGY: 129200 670.8628 1851.5901 1982.0431 111.1922 -14.0662 -1046.1818 179.6264 0.0000 2785.6584 6520.7251 307.6837 3735.0667 6552.4506 303.6869 PRESSURE: 129300 0 0 0 0 0 0 0 0 0 GPRESSURE: 129300 0 0 0 0 0 0 0 0 0 PRESSAVG: 129300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129300 0 0 0 0 0 0 0 0 0 TIMING: 129300 CPU: 515.454, 0.00397507/step Wall: 515.454, 0.00397507/step, 0.409322 hours remaining, 109.511719 MB of memory in use. ENERGY: 129300 664.8061 1893.2064 2022.0269 100.5226 -14.8276 -1037.0084 148.7287 0.0000 2732.4042 6509.8588 301.8017 3777.4546 6543.2016 302.0228 PRESSURE: 129400 0 0 0 0 0 0 0 0 0 GPRESSURE: 129400 0 0 0 0 0 0 0 0 0 PRESSAVG: 129400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129400 0 0 0 0 0 0 0 0 0 TIMING: 129400 CPU: 515.852, 0.00398093/step Wall: 515.852, 0.00398093/step, 0.409815 hours remaining, 109.511719 MB of memory in use. ENERGY: 129400 629.2731 1879.5466 2008.0709 109.8051 -14.5037 -1027.5855 166.9308 0.0000 2740.3168 6491.8540 302.6756 3751.5372 6527.0717 300.3615 PRESSURE: 129500 0 0 0 0 0 0 0 0 0 GPRESSURE: 129500 0 0 0 0 0 0 0 0 0 PRESSAVG: 129500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129500 0 0 0 0 0 0 0 0 0 TIMING: 129500 CPU: 516.249, 0.00397062/step Wall: 516.249, 0.00397062/step, 0.408643 hours remaining, 109.511719 MB of memory in use. ENERGY: 129500 671.5543 1900.6732 1989.8193 102.6686 -15.5745 -1025.3831 172.8525 0.0000 2713.8628 6510.4731 299.7537 3796.6103 6544.8569 300.0774 PRESSURE: 129600 0 0 0 0 0 0 0 0 0 GPRESSURE: 129600 0 0 0 0 0 0 0 0 0 PRESSAVG: 129600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129600 0 0 0 0 0 0 0 0 0 TIMING: 129600 CPU: 516.646, 0.00396971/step Wall: 516.646, 0.00396971/step, 0.408439 hours remaining, 109.511719 MB of memory in use. ENERGY: 129600 669.4611 1888.7873 1993.6599 98.8561 -14.7555 -1059.2752 171.3420 0.0000 2747.5476 6495.6234 303.4743 3748.0758 6526.3918 299.7608 PRESSURE: 129700 0 0 0 0 0 0 0 0 0 GPRESSURE: 129700 0 0 0 0 0 0 0 0 0 PRESSAVG: 129700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129700 0 0 0 0 0 0 0 0 0 TIMING: 129700 CPU: 517.044, 0.00398047/step Wall: 517.044, 0.00398047/step, 0.409436 hours remaining, 109.511719 MB of memory in use. ENERGY: 129700 632.9215 1897.3682 1997.6637 93.8344 -14.0872 -1001.2002 167.5590 0.0000 2700.3688 6474.4282 298.2633 3774.0594 6506.8035 299.0001 PRESSURE: 129800 0 0 0 0 0 0 0 0 0 GPRESSURE: 129800 0 0 0 0 0 0 0 0 0 PRESSAVG: 129800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129800 0 0 0 0 0 0 0 0 0 TIMING: 129800 CPU: 517.441, 0.00397209/step Wall: 517.441, 0.00397209/step, 0.408463 hours remaining, 109.511719 MB of memory in use. ENERGY: 129800 640.0191 1915.7576 1980.4948 88.3083 -14.6583 -1027.5207 161.2413 0.0000 2728.5452 6472.1874 301.3754 3743.6422 6507.9940 299.2634 PRESSURE: 129900 0 0 0 0 0 0 0 0 0 GPRESSURE: 129900 0 0 0 0 0 0 0 0 0 PRESSAVG: 129900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 129900 0 0 0 0 0 0 0 0 0 TIMING: 129900 CPU: 517.839, 0.00398131/step Wall: 517.839, 0.00398131/step, 0.409301 hours remaining, 109.511719 MB of memory in use. ENERGY: 129900 640.3244 1906.1506 2015.1996 111.7740 -14.2486 -1070.3906 166.5877 0.0000 2729.0914 6484.4885 301.4357 3755.3971 6518.1731 300.5141 PRESSURE: 130000 0 0 0 0 0 0 0 0 0 GPRESSURE: 130000 0 0 0 0 0 0 0 0 0 PRESSAVG: 130000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130000 0 0 0 0 0 0 0 0 0 TIMING: 130000 CPU: 518.236, 0.0039712/step Wall: 518.236, 0.0039712/step, 0.408151 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 130000 637.2583 1899.9610 1998.1477 96.4854 -15.1164 -1056.3845 168.0946 0.0000 2763.5372 6491.9834 305.2404 3728.4462 6529.2350 300.5562 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 130000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 130000 WRITING COORDINATES TO RESTART FILE AT STEP 130000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 130000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 130100 0 0 0 0 0 0 0 0 0 GPRESSURE: 130100 0 0 0 0 0 0 0 0 0 PRESSAVG: 130100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130100 0 0 0 0 0 0 0 0 0 TIMING: 130100 CPU: 518.67, 0.00433178/step Wall: 518.67, 0.00433178/step, 0.44509 hours remaining, 109.511719 MB of memory in use. ENERGY: 130100 667.2415 1885.1215 2024.1457 110.1479 -13.9669 -1054.0363 167.3583 0.0000 2712.4301 6498.4419 299.5955 3786.0118 6533.1277 300.8121 PRESSURE: 130200 0 0 0 0 0 0 0 0 0 GPRESSURE: 130200 0 0 0 0 0 0 0 0 0 PRESSAVG: 130200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130200 0 0 0 0 0 0 0 0 0 TIMING: 130200 CPU: 519.068, 0.00398194/step Wall: 519.068, 0.00398194/step, 0.409034 hours remaining, 109.511719 MB of memory in use. ENERGY: 130200 666.6860 1921.4518 1995.8022 115.5561 -14.6867 -1030.1813 142.6530 0.0000 2666.0810 6463.3621 294.4761 3797.2811 6495.5111 300.3139 PRESSURE: 130300 0 0 0 0 0 0 0 0 0 GPRESSURE: 130300 0 0 0 0 0 0 0 0 0 PRESSAVG: 130300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130300 0 0 0 0 0 0 0 0 0 TIMING: 130300 CPU: 519.465, 0.00397173/step Wall: 519.465, 0.00397173/step, 0.407875 hours remaining, 109.511719 MB of memory in use. ENERGY: 130300 643.1220 1930.4892 1994.8487 104.1154 -13.7610 -1064.1081 168.1916 0.0000 2747.1123 6510.0101 303.4262 3762.8978 6542.1887 300.6108 PRESSURE: 130400 0 0 0 0 0 0 0 0 0 GPRESSURE: 130400 0 0 0 0 0 0 0 0 0 PRESSAVG: 130400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130400 0 0 0 0 0 0 0 0 0 TIMING: 130400 CPU: 519.863, 0.00398099/step Wall: 519.863, 0.00398099/step, 0.408715 hours remaining, 109.511719 MB of memory in use. ENERGY: 130400 668.7822 1937.3617 2008.7064 91.5534 -14.5751 -1032.8923 166.1396 0.0000 2750.4290 6575.5049 303.7925 3825.0759 6608.1783 302.8363 PRESSURE: 130500 0 0 0 0 0 0 0 0 0 GPRESSURE: 130500 0 0 0 0 0 0 0 0 0 PRESSAVG: 130500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130500 0 0 0 0 0 0 0 0 0 TIMING: 130500 CPU: 520.26, 0.00396976/step Wall: 520.26, 0.00396976/step, 0.407452 hours remaining, 109.511719 MB of memory in use. ENERGY: 130500 666.9458 1983.3699 1996.0980 103.8673 -14.0868 -1068.9024 156.7120 0.0000 2692.0316 6516.0352 297.3424 3824.0036 6548.3214 302.4270 PRESSURE: 130600 0 0 0 0 0 0 0 0 0 GPRESSURE: 130600 0 0 0 0 0 0 0 0 0 PRESSAVG: 130600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130600 0 0 0 0 0 0 0 0 0 TIMING: 130600 CPU: 520.657, 0.00397297/step Wall: 520.657, 0.00397297/step, 0.407671 hours remaining, 109.511719 MB of memory in use. ENERGY: 130600 650.7157 1935.3979 1980.3251 104.3115 -15.5182 -1030.8058 156.1173 0.0000 2686.7666 6467.3102 296.7609 3780.5436 6499.5169 300.1261 PRESSURE: 130700 0 0 0 0 0 0 0 0 0 GPRESSURE: 130700 0 0 0 0 0 0 0 0 0 PRESSAVG: 130700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130700 0 0 0 0 0 0 0 0 0 TIMING: 130700 CPU: 521.055, 0.00398162/step Wall: 521.055, 0.00398162/step, 0.408448 hours remaining, 109.511719 MB of memory in use. ENERGY: 130700 639.9516 1881.5686 1989.7680 108.0100 -14.2108 -1068.5612 150.6278 0.0000 2752.9754 6440.1294 304.0738 3687.1540 6475.5824 299.1779 PRESSURE: 130800 0 0 0 0 0 0 0 0 0 GPRESSURE: 130800 0 0 0 0 0 0 0 0 0 PRESSAVG: 130800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130800 0 0 0 0 0 0 0 0 0 TIMING: 130800 CPU: 521.453, 0.00397059/step Wall: 521.453, 0.00397059/step, 0.407206 hours remaining, 109.511719 MB of memory in use. ENERGY: 130800 640.7511 1856.0060 2021.5062 91.0198 -13.5126 -1044.8887 162.9702 0.0000 2740.4902 6454.3422 302.6948 3713.8520 6487.2656 298.1502 PRESSURE: 130900 0 0 0 0 0 0 0 0 0 GPRESSURE: 130900 0 0 0 0 0 0 0 0 0 PRESSAVG: 130900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 130900 0 0 0 0 0 0 0 0 0 TIMING: 130900 CPU: 521.851, 0.00398322/step Wall: 521.851, 0.00398322/step, 0.408391 hours remaining, 109.511719 MB of memory in use. ENERGY: 130900 642.3482 1865.5008 2022.7377 103.9000 -13.7997 -1036.3120 153.6153 0.0000 2719.2628 6457.2531 300.3501 3737.9903 6490.9914 298.3335 PRESSURE: 131000 0 0 0 0 0 0 0 0 0 GPRESSURE: 131000 0 0 0 0 0 0 0 0 0 PRESSAVG: 131000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131000 0 0 0 0 0 0 0 0 0 TIMING: 131000 CPU: 522.248, 0.00397041/step Wall: 522.248, 0.00397041/step, 0.406967 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 131000 673.8342 1860.8888 2019.1214 116.6691 -14.4496 -1075.8189 166.2476 0.0000 2714.5508 6461.0434 299.8297 3746.4926 6495.8299 298.4774 PRESSURE: 131100 0 0 0 0 0 0 0 0 0 GPRESSURE: 131100 0 0 0 0 0 0 0 0 0 PRESSAVG: 131100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131100 0 0 0 0 0 0 0 0 0 TIMING: 131100 CPU: 522.645, 0.00397103/step Wall: 522.645, 0.00397103/step, 0.40692 hours remaining, 109.511719 MB of memory in use. ENERGY: 131100 626.8876 1937.1858 2021.3897 109.6209 -14.7733 -1065.1121 158.1129 0.0000 2684.8881 6458.1995 296.5534 3773.3114 6492.2419 297.7616 PRESSURE: 131200 0 0 0 0 0 0 0 0 0 GPRESSURE: 131200 0 0 0 0 0 0 0 0 0 PRESSAVG: 131200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131200 0 0 0 0 0 0 0 0 0 TIMING: 131200 CPU: 523.043, 0.00398369/step Wall: 523.043, 0.00398369/step, 0.408107 hours remaining, 109.511719 MB of memory in use. ENERGY: 131200 657.7918 1917.5505 2015.5696 105.8438 -14.5732 -1091.5156 160.1958 0.0000 2713.0134 6463.8761 299.6599 3750.8627 6496.9252 297.8753 PRESSURE: 131300 0 0 0 0 0 0 0 0 0 GPRESSURE: 131300 0 0 0 0 0 0 0 0 0 PRESSAVG: 131300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131300 0 0 0 0 0 0 0 0 0 TIMING: 131300 CPU: 523.441, 0.00397394/step Wall: 523.441, 0.00397394/step, 0.406998 hours remaining, 109.511719 MB of memory in use. ENERGY: 131300 690.7226 1899.1506 2030.9405 98.2031 -15.7096 -1088.8889 155.0726 0.0000 2669.4367 6438.9276 294.8467 3769.4909 6468.8205 298.2627 PRESSURE: 131400 0 0 0 0 0 0 0 0 0 GPRESSURE: 131400 0 0 0 0 0 0 0 0 0 PRESSAVG: 131400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131400 0 0 0 0 0 0 0 0 0 TIMING: 131400 CPU: 523.839, 0.00398386/step Wall: 523.839, 0.00398385/step, 0.407902 hours remaining, 109.511719 MB of memory in use. ENERGY: 131400 644.9382 1924.1310 2011.4949 106.7984 -14.1306 -1051.6505 172.9840 0.0000 2684.6653 6479.2308 296.5288 3794.5655 6512.0034 299.4040 PRESSURE: 131500 0 0 0 0 0 0 0 0 0 GPRESSURE: 131500 0 0 0 0 0 0 0 0 0 PRESSAVG: 131500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131500 0 0 0 0 0 0 0 0 0 TIMING: 131500 CPU: 524.236, 0.00396827/step Wall: 524.236, 0.00396828/step, 0.406197 hours remaining, 109.511719 MB of memory in use. ENERGY: 131500 639.3866 1904.2538 2027.8536 105.6189 -12.8203 -1054.0974 148.2238 0.0000 2693.2129 6451.6319 297.4729 3758.4190 6486.4082 298.3540 PRESSURE: 131600 0 0 0 0 0 0 0 0 0 GPRESSURE: 131600 0 0 0 0 0 0 0 0 0 PRESSAVG: 131600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131600 0 0 0 0 0 0 0 0 0 TIMING: 131600 CPU: 524.633, 0.00397045/step Wall: 524.633, 0.00397045/step, 0.406309 hours remaining, 109.511719 MB of memory in use. ENERGY: 131600 650.9640 1893.7319 2008.9425 95.2735 -15.2806 -1054.3258 156.2358 0.0000 2713.8917 6449.4331 299.7569 3735.5414 6485.0255 297.1585 PRESSURE: 131700 0 0 0 0 0 0 0 0 0 GPRESSURE: 131700 0 0 0 0 0 0 0 0 0 PRESSAVG: 131700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131700 0 0 0 0 0 0 0 0 0 TIMING: 131700 CPU: 525.031, 0.00398426/step Wall: 525.031, 0.00398426/step, 0.407612 hours remaining, 109.511719 MB of memory in use. ENERGY: 131700 663.6117 1868.4969 2013.6364 106.4655 -13.8796 -1033.2342 162.7014 0.0000 2695.5374 6463.3357 297.7296 3767.7983 6495.0106 297.8387 PRESSURE: 131800 0 0 0 0 0 0 0 0 0 GPRESSURE: 131800 0 0 0 0 0 0 0 0 0 PRESSAVG: 131800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131800 0 0 0 0 0 0 0 0 0 TIMING: 131800 CPU: 525.429, 0.0039766/step Wall: 525.429, 0.0039766/step, 0.406718 hours remaining, 109.511719 MB of memory in use. ENERGY: 131800 666.4765 1846.7132 1994.2959 101.8309 -15.4879 -1052.7599 169.7198 0.0000 2718.9539 6429.7424 300.3160 3710.7885 6467.0243 298.4464 PRESSURE: 131900 0 0 0 0 0 0 0 0 0 GPRESSURE: 131900 0 0 0 0 0 0 0 0 0 PRESSAVG: 131900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 131900 0 0 0 0 0 0 0 0 0 TIMING: 131900 CPU: 525.827, 0.00398109/step Wall: 525.827, 0.00398109/step, 0.407066 hours remaining, 109.511719 MB of memory in use. ENERGY: 131900 643.7863 1841.1817 2001.8673 100.4548 -15.1679 -1007.0515 160.2237 0.0000 2744.6501 6469.9444 303.1543 3725.2943 6502.7370 297.8325 PRESSURE: 132000 0 0 0 0 0 0 0 0 0 GPRESSURE: 132000 0 0 0 0 0 0 0 0 0 PRESSAVG: 132000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132000 0 0 0 0 0 0 0 0 0 TIMING: 132000 CPU: 526.224, 0.00397049/step Wall: 526.224, 0.00397048/step, 0.405871 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 132000 650.4029 1894.7109 2012.8781 100.9750 -14.4015 -1048.0322 162.7624 0.0000 2748.1753 6507.4710 303.5436 3759.2956 6541.7279 301.1716 PRESSURE: 132100 0 0 0 0 0 0 0 0 0 GPRESSURE: 132100 0 0 0 0 0 0 0 0 0 PRESSAVG: 132100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132100 0 0 0 0 0 0 0 0 0 TIMING: 132100 CPU: 526.621, 0.00397229/step Wall: 526.621, 0.0039723/step, 0.405947 hours remaining, 109.511719 MB of memory in use. ENERGY: 132100 672.8160 1866.0521 2013.9188 105.1163 -15.1457 -1008.8680 153.9243 0.0000 2733.5827 6521.3965 301.9318 3787.8138 6553.4471 300.6338 PRESSURE: 132200 0 0 0 0 0 0 0 0 0 GPRESSURE: 132200 0 0 0 0 0 0 0 0 0 PRESSAVG: 132200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132200 0 0 0 0 0 0 0 0 0 TIMING: 132200 CPU: 527.02, 0.00398256/step Wall: 527.02, 0.00398256/step, 0.406885 hours remaining, 109.511719 MB of memory in use. ENERGY: 132200 659.6057 1910.1766 2015.8204 125.5431 -13.0239 -1020.5876 170.4875 0.0000 2706.0776 6554.0993 298.8938 3848.0217 6586.0086 303.9738 LDB: ============= START OF LOAD BALANCING ============== 529.795 LDB: ============== END OF LOAD BALANCING =============== 529.795 LDB: =============== DONE WITH MIGRATION ================ 529.795 PRESSURE: 132300 0 0 0 0 0 0 0 0 0 GPRESSURE: 132300 0 0 0 0 0 0 0 0 0 PRESSAVG: 132300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132300 0 0 0 0 0 0 0 0 0 TIMING: 132300 CPU: 527.417, 0.00397307/step Wall: 527.417, 0.00397307/step, 0.405805 hours remaining, 109.511719 MB of memory in use. ENERGY: 132300 688.8332 1925.1312 2018.2856 111.5097 -15.7034 -1069.2223 163.4246 0.0000 2772.8164 6595.0750 306.2653 3822.2586 6628.7284 304.6798 LDB: ============= START OF LOAD BALANCING ============== 530.192 LDB: ============== END OF LOAD BALANCING =============== 530.192 LDB: =============== DONE WITH MIGRATION ================ 530.192 PRESSURE: 132400 0 0 0 0 0 0 0 0 0 GPRESSURE: 132400 0 0 0 0 0 0 0 0 0 PRESSAVG: 132400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132400 0 0 0 0 0 0 0 0 0 TIMING: 132400 CPU: 527.815, 0.00397693/step Wall: 527.815, 0.00397693/step, 0.406089 hours remaining, 109.511719 MB of memory in use. ENERGY: 132400 641.0107 1887.0726 2005.0749 103.4525 -14.8198 -1025.8994 166.1604 0.0000 2816.0020 6578.0539 311.0353 3762.0519 6615.9819 305.5842 PRESSURE: 132500 0 0 0 0 0 0 0 0 0 GPRESSURE: 132500 0 0 0 0 0 0 0 0 0 PRESSAVG: 132500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132500 0 0 0 0 0 0 0 0 0 TIMING: 132500 CPU: 528.213, 0.00398265/step Wall: 528.213, 0.00398265/step, 0.406562 hours remaining, 109.511719 MB of memory in use. ENERGY: 132500 660.5613 1879.0046 2010.1809 104.5436 -14.8448 -1030.2599 163.6442 0.0000 2778.8503 6551.6801 306.9318 3772.8298 6587.0461 304.8529 PRESSURE: 132600 0 0 0 0 0 0 0 0 0 GPRESSURE: 132600 0 0 0 0 0 0 0 0 0 PRESSAVG: 132600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132600 0 0 0 0 0 0 0 0 0 TIMING: 132600 CPU: 528.61, 0.00397119/step Wall: 528.61, 0.00397119/step, 0.405282 hours remaining, 109.511719 MB of memory in use. ENERGY: 132600 700.1813 1920.9275 2014.7249 102.3961 -16.0903 -1057.9638 154.7901 0.0000 2767.5325 6586.4983 305.6817 3818.9658 6621.6547 305.2810 PRESSURE: 132700 0 0 0 0 0 0 0 0 0 GPRESSURE: 132700 0 0 0 0 0 0 0 0 0 PRESSAVG: 132700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132700 0 0 0 0 0 0 0 0 0 TIMING: 132700 CPU: 529.008, 0.00398206/step Wall: 529.008, 0.00398206/step, 0.406281 hours remaining, 109.511719 MB of memory in use. ENERGY: 132700 648.6166 1907.0259 2043.1716 108.8241 -15.5290 -1049.8568 159.3859 0.0000 2785.6651 6587.3035 307.6845 3801.6383 6622.7653 306.1968 PRESSURE: 132800 0 0 0 0 0 0 0 0 0 GPRESSURE: 132800 0 0 0 0 0 0 0 0 0 PRESSAVG: 132800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132800 0 0 0 0 0 0 0 0 0 TIMING: 132800 CPU: 529.405, 0.00397128/step Wall: 529.405, 0.00397128/step, 0.405071 hours remaining, 109.511719 MB of memory in use. ENERGY: 132800 622.7469 1901.3578 2019.1876 113.6440 -15.2474 -1026.5923 155.9549 0.0000 2807.7748 6578.8263 310.1265 3771.0515 6613.3666 305.0206 PRESSURE: 132900 0 0 0 0 0 0 0 0 0 GPRESSURE: 132900 0 0 0 0 0 0 0 0 0 PRESSAVG: 132900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 132900 0 0 0 0 0 0 0 0 0 TIMING: 132900 CPU: 529.803, 0.00397066/step Wall: 529.803, 0.00397066/step, 0.404897 hours remaining, 109.511719 MB of memory in use. ENERGY: 132900 689.6369 1935.9613 2030.8669 114.1965 -13.8243 -1025.8753 160.9749 0.0000 2723.3943 6615.3312 300.8065 3891.9369 6648.0110 305.8916 PRESSURE: 133000 0 0 0 0 0 0 0 0 0 GPRESSURE: 133000 0 0 0 0 0 0 0 0 0 PRESSAVG: 133000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133000 0 0 0 0 0 0 0 0 0 TIMING: 133000 CPU: 530.2, 0.00397815/step Wall: 530.2, 0.00397815/step, 0.40555 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 133000 649.3751 1897.2647 2029.6062 110.0700 -12.8222 -1040.3554 172.7639 0.0000 2820.0382 6625.9405 311.4811 3805.9023 6659.9692 306.8994 PRESSURE: 133100 0 0 0 0 0 0 0 0 0 GPRESSURE: 133100 0 0 0 0 0 0 0 0 0 PRESSAVG: 133100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133100 0 0 0 0 0 0 0 0 0 TIMING: 133100 CPU: 530.598, 0.00397206/step Wall: 530.598, 0.00397205/step, 0.404818 hours remaining, 109.511719 MB of memory in use. ENERGY: 133100 684.4494 1922.7132 2021.8070 107.5228 -14.2075 -1039.1178 157.7331 0.0000 2788.5772 6629.4775 308.0061 3840.9003 6663.4994 307.6892 PRESSURE: 133200 0 0 0 0 0 0 0 0 0 GPRESSURE: 133200 0 0 0 0 0 0 0 0 0 PRESSAVG: 133200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133200 0 0 0 0 0 0 0 0 0 TIMING: 133200 CPU: 530.996, 0.0039812/step Wall: 530.996, 0.00398121/step, 0.405641 hours remaining, 109.511719 MB of memory in use. ENERGY: 133200 645.0211 1959.0489 2045.6478 117.5106 -13.9754 -1043.7812 175.6451 0.0000 2707.3617 6592.4787 299.0356 3885.1170 6624.6731 306.3976 PRESSURE: 133300 0 0 0 0 0 0 0 0 0 GPRESSURE: 133300 0 0 0 0 0 0 0 0 0 PRESSAVG: 133300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133300 0 0 0 0 0 0 0 0 0 TIMING: 133300 CPU: 531.393, 0.00397269/step Wall: 531.393, 0.00397269/step, 0.404663 hours remaining, 109.511719 MB of memory in use. ENERGY: 133300 672.0257 1853.3033 2012.0122 121.2471 -14.4590 -1023.0818 157.4010 0.0000 2833.6559 6612.1044 312.9852 3778.4485 6646.9878 305.6993 PRESSURE: 133400 0 0 0 0 0 0 0 0 0 GPRESSURE: 133400 0 0 0 0 0 0 0 0 0 PRESSAVG: 133400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133400 0 0 0 0 0 0 0 0 0 TIMING: 133400 CPU: 531.79, 0.00397129/step Wall: 531.79, 0.00397129/step, 0.40441 hours remaining, 109.511719 MB of memory in use. ENERGY: 133400 645.5587 1884.7533 2009.9048 112.1942 -15.1899 -1002.9539 163.4002 0.0000 2799.3000 6596.9676 309.1905 3797.6676 6631.9104 306.4911 PRESSURE: 133500 0 0 0 0 0 0 0 0 0 GPRESSURE: 133500 0 0 0 0 0 0 0 0 0 PRESSAVG: 133500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133500 0 0 0 0 0 0 0 0 0 TIMING: 133500 CPU: 532.188, 0.00398007/step Wall: 532.188, 0.00398007/step, 0.405193 hours remaining, 109.511719 MB of memory in use. ENERGY: 133500 668.0226 1929.1166 2022.8670 94.4534 -14.2101 -1021.1697 166.5021 0.0000 2749.3939 6594.9758 303.6782 3845.5819 6630.2958 305.5388 PRESSURE: 133600 0 0 0 0 0 0 0 0 0 GPRESSURE: 133600 0 0 0 0 0 0 0 0 0 PRESSAVG: 133600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133600 0 0 0 0 0 0 0 0 0 TIMING: 133600 CPU: 532.585, 0.00397046/step Wall: 532.585, 0.00397046/step, 0.404104 hours remaining, 109.511719 MB of memory in use. ENERGY: 133600 650.1388 1877.0671 2001.0415 94.5697 -14.4213 -989.4628 168.7487 0.0000 2777.6867 6565.3684 306.8032 3787.6817 6597.8248 304.3631 PRESSURE: 133700 0 0 0 0 0 0 0 0 0 GPRESSURE: 133700 0 0 0 0 0 0 0 0 0 PRESSAVG: 133700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133700 0 0 0 0 0 0 0 0 0 TIMING: 133700 CPU: 532.983, 0.00398159/step Wall: 532.983, 0.00398159/step, 0.405127 hours remaining, 109.511719 MB of memory in use. ENERGY: 133700 667.2986 1904.5341 2025.4648 107.1463 -13.9710 -1034.4958 171.5243 0.0000 2738.1667 6565.6680 302.4381 3827.5013 6598.6469 304.3853 PRESSURE: 133800 0 0 0 0 0 0 0 0 0 GPRESSURE: 133800 0 0 0 0 0 0 0 0 0 PRESSAVG: 133800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133800 0 0 0 0 0 0 0 0 0 TIMING: 133800 CPU: 533.381, 0.00397472/step Wall: 533.381, 0.00397472/step, 0.404317 hours remaining, 109.511719 MB of memory in use. ENERGY: 133800 688.8148 1873.2270 2029.0779 89.7647 -15.2624 -1050.3184 171.0510 0.0000 2737.7374 6524.0920 302.3907 3786.3547 6556.4204 303.1773 PRESSURE: 133900 0 0 0 0 0 0 0 0 0 GPRESSURE: 133900 0 0 0 0 0 0 0 0 0 PRESSAVG: 133900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 133900 0 0 0 0 0 0 0 0 0 TIMING: 133900 CPU: 533.778, 0.00397123/step Wall: 533.778, 0.00397123/step, 0.403852 hours remaining, 109.511719 MB of memory in use. ENERGY: 133900 671.3882 1858.3196 1995.4929 103.5177 -14.9962 -1041.7967 164.6832 0.0000 2777.1992 6513.8078 306.7494 3736.6086 6547.1281 301.9392 PRESSURE: 134000 0 0 0 0 0 0 0 0 0 GPRESSURE: 134000 0 0 0 0 0 0 0 0 0 PRESSAVG: 134000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134000 0 0 0 0 0 0 0 0 0 TIMING: 134000 CPU: 534.176, 0.00398139/step Wall: 534.176, 0.00398139/step, 0.404775 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 134000 675.6445 1921.6865 2042.9485 103.7527 -15.1999 -1075.8765 171.5674 0.0000 2713.0357 6537.5589 299.6623 3824.5232 6568.2642 302.5757 PRESSURE: 134100 0 0 0 0 0 0 0 0 0 GPRESSURE: 134100 0 0 0 0 0 0 0 0 0 PRESSAVG: 134100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134100 0 0 0 0 0 0 0 0 0 TIMING: 134100 CPU: 534.573, 0.00397172/step Wall: 534.573, 0.00397172/step, 0.403681 hours remaining, 109.511719 MB of memory in use. ENERGY: 134100 678.1084 1875.5193 2024.2772 104.0721 -13.7988 -1042.3256 155.8317 0.0000 2730.9757 6512.6599 301.6439 3781.6842 6544.3987 302.1407 PRESSURE: 134200 0 0 0 0 0 0 0 0 0 GPRESSURE: 134200 0 0 0 0 0 0 0 0 0 PRESSAVG: 134200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134200 0 0 0 0 0 0 0 0 0 TIMING: 134200 CPU: 534.971, 0.00398098/step Wall: 534.971, 0.00398098/step, 0.404512 hours remaining, 109.511719 MB of memory in use. ENERGY: 134200 629.3570 1898.1976 2035.1462 94.0332 -14.4532 -1021.3303 157.8762 0.0000 2713.6503 6492.4769 299.7302 3778.8266 6525.0233 300.7084 PRESSURE: 134300 0 0 0 0 0 0 0 0 0 GPRESSURE: 134300 0 0 0 0 0 0 0 0 0 PRESSAVG: 134300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134300 0 0 0 0 0 0 0 0 0 TIMING: 134300 CPU: 535.369, 0.00397325/step Wall: 535.369, 0.00397325/step, 0.403616 hours remaining, 109.511719 MB of memory in use. ENERGY: 134300 655.9699 1935.3315 2008.6241 98.9316 -14.0822 -1031.6105 158.7739 0.0000 2674.7162 6486.6545 295.4299 3811.9383 6519.9037 299.1797 PRESSURE: 134400 0 0 0 0 0 0 0 0 0 GPRESSURE: 134400 0 0 0 0 0 0 0 0 0 PRESSAVG: 134400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134400 0 0 0 0 0 0 0 0 0 TIMING: 134400 CPU: 535.766, 0.00397169/step Wall: 535.766, 0.00397169/step, 0.403347 hours remaining, 109.511719 MB of memory in use. ENERGY: 134400 668.8524 1938.8805 2020.2535 101.2335 -13.4911 -1032.5447 172.1258 0.0000 2618.6790 6473.9889 289.2404 3855.3099 6504.6447 298.6909 PRESSURE: 134500 0 0 0 0 0 0 0 0 0 GPRESSURE: 134500 0 0 0 0 0 0 0 0 0 PRESSAVG: 134500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134500 0 0 0 0 0 0 0 0 0 TIMING: 134500 CPU: 536.164, 0.00398091/step Wall: 536.164, 0.00398091/step, 0.404173 hours remaining, 109.511719 MB of memory in use. ENERGY: 134500 669.4115 1924.9229 2026.0971 102.6321 -15.0248 -1084.3441 162.2988 0.0000 2698.8407 6484.8342 298.0945 3785.9935 6518.8884 298.6662 PRESSURE: 134600 0 0 0 0 0 0 0 0 0 GPRESSURE: 134600 0 0 0 0 0 0 0 0 0 PRESSAVG: 134600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134600 0 0 0 0 0 0 0 0 0 TIMING: 134600 CPU: 536.561, 0.0039726/step Wall: 536.561, 0.0039726/step, 0.403219 hours remaining, 109.511719 MB of memory in use. ENERGY: 134600 656.3587 1927.6257 2016.9869 118.7736 -13.7980 -1064.9085 165.9586 0.0000 2708.7121 6515.7093 299.1848 3806.9971 6547.2858 299.7656 PRESSURE: 134700 0 0 0 0 0 0 0 0 0 GPRESSURE: 134700 0 0 0 0 0 0 0 0 0 PRESSAVG: 134700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134700 0 0 0 0 0 0 0 0 0 TIMING: 134700 CPU: 536.959, 0.00398221/step Wall: 536.959, 0.00398221/step, 0.404084 hours remaining, 109.511719 MB of memory in use. ENERGY: 134700 669.8564 1844.9200 2021.3832 98.8219 -13.6795 -1044.9600 165.7192 0.0000 2759.6559 6501.7171 304.8117 3742.0612 6536.6995 301.2436 PRESSURE: 134800 0 0 0 0 0 0 0 0 0 GPRESSURE: 134800 0 0 0 0 0 0 0 0 0 PRESSAVG: 134800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134800 0 0 0 0 0 0 0 0 0 TIMING: 134800 CPU: 537.357, 0.00397373/step Wall: 537.357, 0.00397373/step, 0.403113 hours remaining, 109.511719 MB of memory in use. ENERGY: 134800 667.5555 1884.3326 2004.7456 112.2936 -14.4463 -1050.2205 155.4821 0.0000 2751.1833 6510.9259 303.8759 3759.7427 6545.9077 301.0335 PRESSURE: 134900 0 0 0 0 0 0 0 0 0 GPRESSURE: 134900 0 0 0 0 0 0 0 0 0 PRESSAVG: 134900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 134900 0 0 0 0 0 0 0 0 0 TIMING: 134900 CPU: 537.754, 0.00397158/step Wall: 537.754, 0.00397158/step, 0.402784 hours remaining, 109.511719 MB of memory in use. ENERGY: 134900 663.2629 1881.6085 2026.3158 100.8392 -13.9751 -1022.3244 166.0416 0.0000 2687.1001 6488.8685 296.7977 3801.7684 6524.4782 300.4620 PRESSURE: 135000 0 0 0 0 0 0 0 0 0 GPRESSURE: 135000 0 0 0 0 0 0 0 0 0 PRESSAVG: 135000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135000 0 0 0 0 0 0 0 0 0 TIMING: 135000 CPU: 538.152, 0.00398413/step Wall: 538.152, 0.00398413/step, 0.403946 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 135000 685.0607 1891.8425 2030.5459 108.6604 -14.5126 -1065.1386 165.2677 0.0000 2662.0374 6463.7633 294.0294 3801.7259 6494.9757 298.8021 PRESSURE: 135100 0 0 0 0 0 0 0 0 0 GPRESSURE: 135100 0 0 0 0 0 0 0 0 0 PRESSAVG: 135100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135100 0 0 0 0 0 0 0 0 0 TIMING: 135100 CPU: 538.549, 0.00397032/step Wall: 538.549, 0.00397032/step, 0.402436 hours remaining, 109.511719 MB of memory in use. ENERGY: 135100 649.6145 1865.3672 2015.0864 105.2767 -14.2549 -1062.8019 165.5787 0.0000 2720.4646 6444.3313 300.4829 3723.8667 6478.9196 297.2948 PRESSURE: 135200 0 0 0 0 0 0 0 0 0 GPRESSURE: 135200 0 0 0 0 0 0 0 0 0 PRESSAVG: 135200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135200 0 0 0 0 0 0 0 0 0 TIMING: 135200 CPU: 538.948, 0.0039864/step Wall: 538.948, 0.0039864/step, 0.403955 hours remaining, 109.511719 MB of memory in use. ENERGY: 135200 640.3891 1877.0589 2022.6164 101.3283 -13.8719 -1034.4390 165.8697 0.0000 2687.3410 6446.2925 296.8243 3758.9515 6479.0510 298.3024 PRESSURE: 135300 0 0 0 0 0 0 0 0 0 GPRESSURE: 135300 0 0 0 0 0 0 0 0 0 PRESSAVG: 135300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135300 0 0 0 0 0 0 0 0 0 TIMING: 135300 CPU: 539.345, 0.00397259/step Wall: 539.345, 0.00397259/step, 0.402445 hours remaining, 109.511719 MB of memory in use. ENERGY: 135300 652.8232 1933.9847 1986.3807 91.5582 -13.2056 -1034.4867 163.4797 0.0000 2680.1334 6460.6676 296.0282 3780.5342 6492.5657 296.0090 PRESSURE: 135400 0 0 0 0 0 0 0 0 0 GPRESSURE: 135400 0 0 0 0 0 0 0 0 0 PRESSAVG: 135400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135400 0 0 0 0 0 0 0 0 0 TIMING: 135400 CPU: 539.742, 0.00397193/step Wall: 539.742, 0.00397193/step, 0.402268 hours remaining, 109.511719 MB of memory in use. ENERGY: 135400 648.8156 1866.1054 2007.7659 100.5565 -13.7929 -1058.7897 170.4100 0.0000 2719.4600 6440.5308 300.3719 3721.0708 6475.2720 297.5233 PRESSURE: 135500 0 0 0 0 0 0 0 0 0 GPRESSURE: 135500 0 0 0 0 0 0 0 0 0 PRESSAVG: 135500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135500 0 0 0 0 0 0 0 0 0 TIMING: 135500 CPU: 540.141, 0.0039868/step Wall: 540.141, 0.0039868/step, 0.403663 hours remaining, 109.511719 MB of memory in use. ENERGY: 135500 663.7573 1852.1711 2002.4275 108.4572 -14.5753 -1051.2893 168.5374 0.0000 2710.5649 6440.0508 299.3894 3729.4859 6473.1758 297.8661 PRESSURE: 135600 0 0 0 0 0 0 0 0 0 GPRESSURE: 135600 0 0 0 0 0 0 0 0 0 PRESSAVG: 135600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135600 0 0 0 0 0 0 0 0 0 TIMING: 135600 CPU: 540.538, 0.00396969/step Wall: 540.538, 0.00396969/step, 0.401821 hours remaining, 109.511719 MB of memory in use. ENERGY: 135600 646.1998 1860.6981 2021.5769 105.3316 -14.0842 -1029.8835 165.7145 0.0000 2690.4205 6445.9736 297.1644 3755.5531 6478.0245 296.1308 PRESSURE: 135700 0 0 0 0 0 0 0 0 0 GPRESSURE: 135700 0 0 0 0 0 0 0 0 0 PRESSAVG: 135700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135700 0 0 0 0 0 0 0 0 0 TIMING: 135700 CPU: 540.937, 0.00398572/step Wall: 540.937, 0.00398572/step, 0.403333 hours remaining, 109.511719 MB of memory in use. ENERGY: 135700 666.4977 1875.4048 2018.5702 97.3678 -15.7351 -1057.6812 150.2315 0.0000 2695.2508 6429.9065 297.6980 3734.6557 6461.1402 297.3755 PRESSURE: 135800 0 0 0 0 0 0 0 0 0 GPRESSURE: 135800 0 0 0 0 0 0 0 0 0 PRESSAVG: 135800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135800 0 0 0 0 0 0 0 0 0 TIMING: 135800 CPU: 541.334, 0.00397261/step Wall: 541.334, 0.00397261/step, 0.401896 hours remaining, 109.511719 MB of memory in use. ENERGY: 135800 644.8099 1892.7363 2013.6210 105.9342 -14.4354 -1026.6007 181.1449 0.0000 2647.8904 6445.1006 292.4669 3797.2103 6476.3282 298.4642 PRESSURE: 135900 0 0 0 0 0 0 0 0 0 GPRESSURE: 135900 0 0 0 0 0 0 0 0 0 PRESSAVG: 135900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 135900 0 0 0 0 0 0 0 0 0 TIMING: 135900 CPU: 541.731, 0.00397013/step Wall: 541.731, 0.00397012/step, 0.401534 hours remaining, 109.511719 MB of memory in use. ENERGY: 135900 665.2055 1845.8176 2026.4811 102.4442 -15.0337 -1048.8235 170.4713 0.0000 2713.5005 6460.0630 299.7137 3746.5625 6494.4748 297.2185 PRESSURE: 136000 0 0 0 0 0 0 0 0 0 GPRESSURE: 136000 0 0 0 0 0 0 0 0 0 PRESSAVG: 136000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136000 0 0 0 0 0 0 0 0 0 TIMING: 136000 CPU: 542.13, 0.0039892/step Wall: 542.13, 0.00398921/step, 0.403353 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 136000 703.1146 1867.3612 2017.0429 105.4060 -13.9763 -1043.8925 163.7476 0.0000 2693.1477 6491.9512 297.4657 3798.8035 6524.6543 299.3494 PRESSURE: 136100 0 0 0 0 0 0 0 0 0 GPRESSURE: 136100 0 0 0 0 0 0 0 0 0 PRESSAVG: 136100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136100 0 0 0 0 0 0 0 0 0 TIMING: 136100 CPU: 542.527, 0.00397029/step Wall: 542.527, 0.00397029/step, 0.40133 hours remaining, 109.511719 MB of memory in use. ENERGY: 136100 629.5233 1867.3807 2015.2559 100.6464 -14.8165 -1012.6683 156.5946 0.0000 2721.5492 6463.4653 300.6027 3741.9161 6496.9711 298.1350 PRESSURE: 136200 0 0 0 0 0 0 0 0 0 GPRESSURE: 136200 0 0 0 0 0 0 0 0 0 PRESSAVG: 136200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136200 0 0 0 0 0 0 0 0 0 TIMING: 136200 CPU: 542.925, 0.00398547/step Wall: 542.925, 0.00398547/step, 0.402754 hours remaining, 109.511719 MB of memory in use. ENERGY: 136200 646.1255 1865.3389 2029.8597 112.9670 -13.1372 -1026.3539 164.4407 0.0000 2654.2486 6433.4895 293.1692 3779.2408 6463.9838 296.8527 LDB: ============= START OF LOAD BALANCING ============== 545.7 LDB: ============== END OF LOAD BALANCING =============== 545.7 LDB: =============== DONE WITH MIGRATION ================ 545.7 PRESSURE: 136300 0 0 0 0 0 0 0 0 0 GPRESSURE: 136300 0 0 0 0 0 0 0 0 0 PRESSAVG: 136300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136300 0 0 0 0 0 0 0 0 0 TIMING: 136300 CPU: 543.323, 0.00397416/step Wall: 543.323, 0.00397415/step, 0.4015 hours remaining, 109.511719 MB of memory in use. ENERGY: 136300 653.4866 1901.7400 1992.2069 100.4228 -13.6472 -1070.8480 158.5721 0.0000 2700.5496 6422.4828 298.2832 3721.9332 6452.3549 296.7019 LDB: ============= START OF LOAD BALANCING ============== 546.098 LDB: ============== END OF LOAD BALANCING =============== 546.098 LDB: =============== DONE WITH MIGRATION ================ 546.098 PRESSURE: 136400 0 0 0 0 0 0 0 0 0 GPRESSURE: 136400 0 0 0 0 0 0 0 0 0 PRESSAVG: 136400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136400 0 0 0 0 0 0 0 0 0 TIMING: 136400 CPU: 543.721, 0.0039783/step Wall: 543.721, 0.00397831/step, 0.401809 hours remaining, 109.511719 MB of memory in use. ENERGY: 136400 644.1696 1850.1811 2017.2426 112.4096 -13.5683 -1054.4724 170.5759 0.0000 2731.0166 6457.5546 301.6484 3726.5380 6490.0245 296.8363 PRESSURE: 136500 0 0 0 0 0 0 0 0 0 GPRESSURE: 136500 0 0 0 0 0 0 0 0 0 PRESSAVG: 136500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136500 0 0 0 0 0 0 0 0 0 TIMING: 136500 CPU: 544.119, 0.00398626/step Wall: 544.119, 0.00398625/step, 0.4025 hours remaining, 109.511719 MB of memory in use. ENERGY: 136500 656.2090 1848.0735 2002.7954 106.0833 -13.1880 -1045.5975 154.1782 0.0000 2742.5435 6451.0973 302.9216 3708.5538 6486.9099 296.9675 PRESSURE: 136600 0 0 0 0 0 0 0 0 0 GPRESSURE: 136600 0 0 0 0 0 0 0 0 0 PRESSAVG: 136600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136600 0 0 0 0 0 0 0 0 0 TIMING: 136600 CPU: 544.516, 0.00397029/step Wall: 544.516, 0.00397029/step, 0.400779 hours remaining, 109.511719 MB of memory in use. ENERGY: 136600 664.1002 1892.1443 2007.8549 108.9811 -13.5691 -1059.8628 158.2485 0.0000 2718.5445 6476.4415 300.2708 3757.8970 6509.9360 297.6671 PRESSURE: 136700 0 0 0 0 0 0 0 0 0 GPRESSURE: 136700 0 0 0 0 0 0 0 0 0 PRESSAVG: 136700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136700 0 0 0 0 0 0 0 0 0 TIMING: 136700 CPU: 544.915, 0.00398468/step Wall: 544.915, 0.00398469/step, 0.402122 hours remaining, 109.511719 MB of memory in use. ENERGY: 136700 687.3201 1871.1591 2005.4317 114.5618 -13.9236 -1052.8247 160.8510 0.0000 2704.6783 6477.2538 298.7392 3772.5755 6508.8918 299.2046 PRESSURE: 136800 0 0 0 0 0 0 0 0 0 GPRESSURE: 136800 0 0 0 0 0 0 0 0 0 PRESSAVG: 136800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136800 0 0 0 0 0 0 0 0 0 TIMING: 136800 CPU: 545.312, 0.00397279/step Wall: 545.312, 0.00397279/step, 0.40081 hours remaining, 109.511719 MB of memory in use. ENERGY: 136800 650.6171 1873.8559 2007.9346 96.4653 -13.5969 -1026.0270 169.1386 0.0000 2695.1978 6453.5856 297.6921 3758.3878 6486.8502 298.3312 PRESSURE: 136900 0 0 0 0 0 0 0 0 0 GPRESSURE: 136900 0 0 0 0 0 0 0 0 0 PRESSAVG: 136900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 136900 0 0 0 0 0 0 0 0 0 TIMING: 136900 CPU: 545.709, 0.00397149/step Wall: 545.709, 0.00397149/step, 0.400569 hours remaining, 109.511719 MB of memory in use. ENERGY: 136900 647.3464 1867.0482 1996.6475 103.0627 -13.6997 -1059.1402 153.8195 0.0000 2735.3150 6430.3995 302.1232 3695.0845 6465.8976 297.0218 PRESSURE: 137000 0 0 0 0 0 0 0 0 0 GPRESSURE: 137000 0 0 0 0 0 0 0 0 0 PRESSAVG: 137000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137000 0 0 0 0 0 0 0 0 0 TIMING: 137000 CPU: 546.108, 0.0039866/step Wall: 546.108, 0.0039866/step, 0.401982 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 137000 648.1716 1831.0555 2017.2202 98.8677 -14.5710 -1022.5378 163.6718 0.0000 2711.7153 6433.5933 299.5165 3721.8780 6468.6144 297.8630 PRESSURE: 137100 0 0 0 0 0 0 0 0 0 GPRESSURE: 137100 0 0 0 0 0 0 0 0 0 PRESSAVG: 137100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137100 0 0 0 0 0 0 0 0 0 TIMING: 137100 CPU: 546.505, 0.00397352/step Wall: 546.505, 0.00397352/step, 0.400553 hours remaining, 109.511719 MB of memory in use. ENERGY: 137100 671.6837 1844.2195 2000.5159 107.2295 -13.5619 -1044.1481 162.8538 0.0000 2716.4692 6445.2617 300.0416 3728.7925 6480.6586 297.8559 PRESSURE: 137200 0 0 0 0 0 0 0 0 0 GPRESSURE: 137200 0 0 0 0 0 0 0 0 0 PRESSAVG: 137200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137200 0 0 0 0 0 0 0 0 0 TIMING: 137200 CPU: 546.904, 0.00398541/step Wall: 546.904, 0.0039854/step, 0.40164 hours remaining, 109.511719 MB of memory in use. ENERGY: 137200 659.8648 1904.7105 2007.6163 96.4756 -14.7105 -1056.5984 157.3002 0.0000 2667.5733 6422.2319 294.6409 3754.6585 6452.6209 296.8617 PRESSURE: 137300 0 0 0 0 0 0 0 0 0 GPRESSURE: 137300 0 0 0 0 0 0 0 0 0 PRESSAVG: 137300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137300 0 0 0 0 0 0 0 0 0 TIMING: 137300 CPU: 547.301, 0.00397444/step Wall: 547.301, 0.00397444/step, 0.400425 hours remaining, 109.511719 MB of memory in use. ENERGY: 137300 657.1110 1871.8481 2011.7402 115.8893 -14.3783 -1053.7194 171.5300 0.0000 2672.4541 6432.4750 295.1800 3760.0209 6465.0203 297.1706 PRESSURE: 137400 0 0 0 0 0 0 0 0 0 GPRESSURE: 137400 0 0 0 0 0 0 0 0 0 PRESSAVG: 137400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137400 0 0 0 0 0 0 0 0 0 TIMING: 137400 CPU: 547.698, 0.00396997/step Wall: 547.698, 0.00396998/step, 0.399865 hours remaining, 109.511719 MB of memory in use. ENERGY: 137400 631.5159 1860.3683 2004.5913 108.6440 -13.8142 -1039.5410 163.8164 0.0000 2731.3980 6446.9786 301.6905 3715.5806 6483.4842 296.9084 PRESSURE: 137500 0 0 0 0 0 0 0 0 0 GPRESSURE: 137500 0 0 0 0 0 0 0 0 0 PRESSAVG: 137500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137500 0 0 0 0 0 0 0 0 0 TIMING: 137500 CPU: 548.097, 0.00398441/step Wall: 548.097, 0.00398441/step, 0.401208 hours remaining, 109.511719 MB of memory in use. ENERGY: 137500 678.1048 1876.4503 2014.1707 101.3513 -14.2537 -1034.1309 164.3020 0.0000 2697.9648 6483.9592 297.9977 3785.9944 6515.7947 299.3342 PRESSURE: 137600 0 0 0 0 0 0 0 0 0 GPRESSURE: 137600 0 0 0 0 0 0 0 0 0 PRESSAVG: 137600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137600 0 0 0 0 0 0 0 0 0 TIMING: 137600 CPU: 548.494, 0.00397178/step Wall: 548.494, 0.00397178/step, 0.399826 hours remaining, 109.511719 MB of memory in use. ENERGY: 137600 694.5538 1850.8906 2027.8527 105.3742 -13.6254 -1055.1472 166.3640 0.0000 2754.0148 6530.2775 304.1886 3776.2627 6565.5020 300.6375 PRESSURE: 137700 0 0 0 0 0 0 0 0 0 GPRESSURE: 137700 0 0 0 0 0 0 0 0 0 PRESSAVG: 137700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137700 0 0 0 0 0 0 0 0 0 TIMING: 137700 CPU: 548.892, 0.00398507/step Wall: 548.892, 0.00398507/step, 0.401053 hours remaining, 109.511719 MB of memory in use. ENERGY: 137700 659.8000 1879.7738 1997.5591 108.2238 -14.4054 -1033.7479 148.0732 0.0000 2762.2212 6507.4977 305.0950 3745.2765 6543.3921 301.0653 PRESSURE: 137800 0 0 0 0 0 0 0 0 0 GPRESSURE: 137800 0 0 0 0 0 0 0 0 0 PRESSAVG: 137800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137800 0 0 0 0 0 0 0 0 0 TIMING: 137800 CPU: 549.289, 0.0039711/step Wall: 549.289, 0.0039711/step, 0.399537 hours remaining, 109.511719 MB of memory in use. ENERGY: 137800 653.5428 1921.5757 2061.5884 96.3661 -13.6675 -1070.0424 166.7063 0.0000 2702.2267 6518.2960 298.4685 3816.0693 6548.8093 302.5074 PRESSURE: 137900 0 0 0 0 0 0 0 0 0 GPRESSURE: 137900 0 0 0 0 0 0 0 0 0 PRESSAVG: 137900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 137900 0 0 0 0 0 0 0 0 0 TIMING: 137900 CPU: 549.687, 0.00397096/step Wall: 549.687, 0.00397096/step, 0.399413 hours remaining, 109.511719 MB of memory in use. ENERGY: 137900 682.8357 1867.3905 2023.1923 114.9644 -12.9879 -1051.3739 163.3241 0.0000 2743.4604 6530.8058 303.0228 3787.3454 6563.8208 299.8007 PRESSURE: 138000 0 0 0 0 0 0 0 0 0 GPRESSURE: 138000 0 0 0 0 0 0 0 0 0 PRESSAVG: 138000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138000 0 0 0 0 0 0 0 0 0 TIMING: 138000 CPU: 550.085, 0.00398422/step Wall: 550.085, 0.00398422/step, 0.400635 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 138000 617.8156 1870.9569 2040.5230 122.2957 -13.5517 -1023.7029 157.9547 0.0000 2746.1915 6518.4827 303.3245 3772.2912 6549.9863 301.1380 PRESSURE: 138100 0 0 0 0 0 0 0 0 0 GPRESSURE: 138100 0 0 0 0 0 0 0 0 0 PRESSAVG: 138100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138100 0 0 0 0 0 0 0 0 0 TIMING: 138100 CPU: 550.482, 0.00397177/step Wall: 550.482, 0.00397177/step, 0.399273 hours remaining, 109.511719 MB of memory in use. ENERGY: 138100 632.5332 1956.7872 2014.8663 101.7846 -14.0434 -1052.2488 162.5180 0.0000 2670.8074 6473.0044 294.9981 3802.1970 6501.5095 299.4734 PRESSURE: 138200 0 0 0 0 0 0 0 0 0 GPRESSURE: 138200 0 0 0 0 0 0 0 0 0 PRESSAVG: 138200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138200 0 0 0 0 0 0 0 0 0 TIMING: 138200 CPU: 550.887, 0.00404667/step Wall: 550.887, 0.00404667/step, 0.40669 hours remaining, 109.511719 MB of memory in use. ENERGY: 138200 650.0508 1878.0175 2008.9858 109.8084 -15.1236 -1021.6222 153.4742 0.0000 2708.8149 6472.4057 299.1962 3763.5908 6504.9220 299.0801 PRESSURE: 138300 0 0 0 0 0 0 0 0 0 GPRESSURE: 138300 0 0 0 0 0 0 0 0 0 PRESSAVG: 138300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138300 0 0 0 0 0 0 0 0 0 TIMING: 138300 CPU: 551.285, 0.00398148/step Wall: 551.285, 0.00398148/step, 0.400028 hours remaining, 109.511719 MB of memory in use. ENERGY: 138300 642.8209 1890.5462 1998.5794 116.0516 -14.3162 -1048.8532 175.6496 0.0000 2698.2807 6458.7591 298.0326 3760.4783 6492.4111 298.6740 PRESSURE: 138400 0 0 0 0 0 0 0 0 0 GPRESSURE: 138400 0 0 0 0 0 0 0 0 0 PRESSAVG: 138400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138400 0 0 0 0 0 0 0 0 0 TIMING: 138400 CPU: 551.683, 0.00397608/step Wall: 551.683, 0.00397608/step, 0.399375 hours remaining, 109.511719 MB of memory in use. ENERGY: 138400 645.6547 1861.3470 1994.1520 106.1977 -14.3694 -1032.4152 152.3614 0.0000 2729.5642 6442.4923 301.4880 3712.9282 6474.7433 299.2412 PRESSURE: 138500 0 0 0 0 0 0 0 0 0 GPRESSURE: 138500 0 0 0 0 0 0 0 0 0 PRESSAVG: 138500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138500 0 0 0 0 0 0 0 0 0 TIMING: 138500 CPU: 552.081, 0.00398897/step Wall: 552.081, 0.00398897/step, 0.400559 hours remaining, 109.511719 MB of memory in use. ENERGY: 138500 655.2142 1864.8900 2016.3424 109.5820 -14.3846 -1080.4459 153.8571 0.0000 2715.0759 6420.1311 299.8877 3705.0551 6454.0478 297.5590 PRESSURE: 138600 0 0 0 0 0 0 0 0 0 GPRESSURE: 138600 0 0 0 0 0 0 0 0 0 PRESSAVG: 138600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138600 0 0 0 0 0 0 0 0 0 TIMING: 138600 CPU: 552.479, 0.00397821/step Wall: 552.479, 0.00397821/step, 0.399368 hours remaining, 109.511719 MB of memory in use. ENERGY: 138600 642.1689 1842.9721 2032.2028 100.5516 -13.2009 -1037.2026 175.8654 0.0000 2696.1427 6439.5000 297.7965 3743.3573 6471.6479 297.4901 PRESSURE: 138700 0 0 0 0 0 0 0 0 0 GPRESSURE: 138700 0 0 0 0 0 0 0 0 0 PRESSAVG: 138700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138700 0 0 0 0 0 0 0 0 0 TIMING: 138700 CPU: 552.877, 0.00398002/step Wall: 552.877, 0.00398002/step, 0.399439 hours remaining, 109.511719 MB of memory in use. ENERGY: 138700 626.6475 1904.0539 2003.2705 104.7942 -14.9571 -1034.2211 158.2044 0.0000 2675.7042 6423.4963 295.5390 3747.7921 6454.6281 297.6445 PRESSURE: 138800 0 0 0 0 0 0 0 0 0 GPRESSURE: 138800 0 0 0 0 0 0 0 0 0 PRESSAVG: 138800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138800 0 0 0 0 0 0 0 0 0 TIMING: 138800 CPU: 553.275, 0.0039762/step Wall: 553.275, 0.0039762/step, 0.398945 hours remaining, 109.511719 MB of memory in use. ENERGY: 138800 577.7195 1868.3988 1982.4993 117.3057 -13.6234 -1021.9627 163.3484 0.0000 2772.9060 6446.5916 306.2752 3673.6856 6482.6311 297.5922 PRESSURE: 138900 0 0 0 0 0 0 0 0 0 GPRESSURE: 138900 0 0 0 0 0 0 0 0 0 PRESSAVG: 138900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 138900 0 0 0 0 0 0 0 0 0 TIMING: 138900 CPU: 553.672, 0.0039726/step Wall: 553.672, 0.0039726/step, 0.398474 hours remaining, 109.511719 MB of memory in use. ENERGY: 138900 623.9448 1864.4755 2007.6590 100.5742 -13.8990 -1045.7813 174.0435 0.0000 2725.2294 6436.2462 301.0092 3711.0168 6469.1436 298.4689 PRESSURE: 139000 0 0 0 0 0 0 0 0 0 GPRESSURE: 139000 0 0 0 0 0 0 0 0 0 PRESSAVG: 139000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139000 0 0 0 0 0 0 0 0 0 TIMING: 139000 CPU: 554.07, 0.00398288/step Wall: 554.07, 0.00398288/step, 0.399394 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 139000 668.6376 1804.5573 2014.4268 99.5957 -14.5789 -1047.9205 158.0345 0.0000 2732.5668 6415.3193 301.8196 3682.7525 6447.3784 296.8944 PRESSURE: 139100 0 0 0 0 0 0 0 0 0 GPRESSURE: 139100 0 0 0 0 0 0 0 0 0 PRESSAVG: 139100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139100 0 0 0 0 0 0 0 0 0 TIMING: 139100 CPU: 554.468, 0.0039719/step Wall: 554.468, 0.0039719/step, 0.398183 hours remaining, 109.511719 MB of memory in use. ENERGY: 139100 663.4172 1859.3545 2017.9449 99.8062 -14.2552 -997.0851 154.1696 0.0000 2652.3153 6435.6673 292.9556 3783.3520 6468.6371 296.9761 PRESSURE: 139200 0 0 0 0 0 0 0 0 0 GPRESSURE: 139200 0 0 0 0 0 0 0 0 0 PRESSAVG: 139200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139200 0 0 0 0 0 0 0 0 0 TIMING: 139200 CPU: 554.865, 0.00397145/step Wall: 554.865, 0.00397145/step, 0.398027 hours remaining, 109.511719 MB of memory in use. ENERGY: 139200 677.4662 1896.1314 2000.8667 104.1628 -13.4140 -1083.5651 160.4865 0.0000 2710.9739 6453.1084 299.4346 3742.1345 6485.9911 299.2069 PRESSURE: 139300 0 0 0 0 0 0 0 0 0 GPRESSURE: 139300 0 0 0 0 0 0 0 0 0 PRESSAVG: 139300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139300 0 0 0 0 0 0 0 0 0 TIMING: 139300 CPU: 555.263, 0.00398534/step Wall: 555.263, 0.00398534/step, 0.399309 hours remaining, 109.511719 MB of memory in use. ENERGY: 139300 707.8382 1850.9437 2004.2794 95.4437 -13.8530 -1069.2731 156.6941 0.0000 2703.3514 6435.4245 298.5927 3732.0731 6467.4982 296.7352 PRESSURE: 139400 0 0 0 0 0 0 0 0 0 GPRESSURE: 139400 0 0 0 0 0 0 0 0 0 PRESSAVG: 139400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139400 0 0 0 0 0 0 0 0 0 TIMING: 139400 CPU: 555.661, 0.00397415/step Wall: 555.661, 0.00397415/step, 0.398078 hours remaining, 109.511719 MB of memory in use. ENERGY: 139400 668.1542 1895.3968 2014.7300 111.6182 -14.0674 -1045.9511 160.2848 0.0000 2652.1750 6442.3405 292.9401 3790.1655 6473.4863 296.8482 PRESSURE: 139500 0 0 0 0 0 0 0 0 0 GPRESSURE: 139500 0 0 0 0 0 0 0 0 0 PRESSAVG: 139500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139500 0 0 0 0 0 0 0 0 0 TIMING: 139500 CPU: 556.059, 0.00398357/step Wall: 556.059, 0.00398357/step, 0.39891 hours remaining, 109.511719 MB of memory in use. ENERGY: 139500 649.6797 1870.1698 1995.6092 106.7370 -14.2857 -1057.1884 155.8519 0.0000 2696.7625 6403.3360 297.8649 3706.5736 6438.4537 297.0861 PRESSURE: 139600 0 0 0 0 0 0 0 0 0 GPRESSURE: 139600 0 0 0 0 0 0 0 0 0 PRESSAVG: 139600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139600 0 0 0 0 0 0 0 0 0 TIMING: 139600 CPU: 556.456, 0.00396966/step Wall: 556.456, 0.00396966/step, 0.397407 hours remaining, 109.511719 MB of memory in use. ENERGY: 139600 642.0132 1886.2542 2004.4834 97.6034 -13.8118 -1052.2139 161.9546 0.0000 2675.8670 6402.1499 295.5570 3726.2829 6433.1764 295.4959 PRESSURE: 139700 0 0 0 0 0 0 0 0 0 GPRESSURE: 139700 0 0 0 0 0 0 0 0 0 PRESSAVG: 139700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139700 0 0 0 0 0 0 0 0 0 TIMING: 139700 CPU: 556.853, 0.00397045/step Wall: 556.853, 0.00397045/step, 0.397376 hours remaining, 109.511719 MB of memory in use. ENERGY: 139700 621.1039 1898.0434 2006.8211 101.5158 -14.7999 -1050.3296 157.7332 0.0000 2684.8860 6404.9740 296.5531 3720.0880 6438.5414 295.3837 PRESSURE: 139800 0 0 0 0 0 0 0 0 0 GPRESSURE: 139800 0 0 0 0 0 0 0 0 0 PRESSAVG: 139800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139800 0 0 0 0 0 0 0 0 0 TIMING: 139800 CPU: 557.251, 0.00398201/step Wall: 557.251, 0.00398201/step, 0.398422 hours remaining, 109.511719 MB of memory in use. ENERGY: 139800 652.9432 1904.1394 2007.0659 108.3802 -14.6237 -1055.2206 178.4384 0.0000 2621.8575 6402.9804 289.5915 3781.1229 6434.4321 295.5631 PRESSURE: 139900 0 0 0 0 0 0 0 0 0 GPRESSURE: 139900 0 0 0 0 0 0 0 0 0 PRESSAVG: 139900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 139900 0 0 0 0 0 0 0 0 0 TIMING: 139900 CPU: 557.649, 0.00397279/step Wall: 557.649, 0.00397279/step, 0.397389 hours remaining, 109.511719 MB of memory in use. ENERGY: 139900 660.7645 1845.1926 1995.8653 109.5655 -15.0691 -1053.9911 161.7510 0.0000 2709.4172 6413.4958 299.2627 3704.0786 6447.4335 294.7064 PRESSURE: 140000 0 0 0 0 0 0 0 0 0 GPRESSURE: 140000 0 0 0 0 0 0 0 0 0 PRESSAVG: 140000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140000 0 0 0 0 0 0 0 0 0 TIMING: 140000 CPU: 558.047, 0.00398669/step Wall: 558.047, 0.00398669/step, 0.398669 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 140000 653.9588 1832.5807 1989.9392 111.1847 -14.4447 -1034.6186 151.6049 0.0000 2722.4337 6412.6388 300.7004 3690.2052 6447.2667 295.7781 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 140000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 140000 WRITING COORDINATES TO RESTART FILE AT STEP 140000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 140000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 140100 0 0 0 0 0 0 0 0 0 GPRESSURE: 140100 0 0 0 0 0 0 0 0 0 PRESSAVG: 140100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140100 0 0 0 0 0 0 0 0 0 TIMING: 140100 CPU: 558.472, 0.00424813/step Wall: 558.472, 0.00424813/step, 0.424695 hours remaining, 109.511719 MB of memory in use. ENERGY: 140100 671.5739 1874.5070 1980.7897 106.0037 -15.1174 -1072.4254 156.7663 0.0000 2699.2296 6401.3275 298.1374 3702.0979 6435.5427 296.5417 PRESSURE: 140200 0 0 0 0 0 0 0 0 0 GPRESSURE: 140200 0 0 0 0 0 0 0 0 0 PRESSAVG: 140200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140200 0 0 0 0 0 0 0 0 0 TIMING: 140200 CPU: 558.869, 0.00397191/step Wall: 558.869, 0.00397191/step, 0.39697 hours remaining, 109.511719 MB of memory in use. ENERGY: 140200 643.7125 1884.9712 1991.1552 104.7193 -14.7241 -1048.8390 159.8197 0.0000 2671.2261 6392.0408 295.0444 3720.8148 6423.8683 295.3611 LDB: ============= START OF LOAD BALANCING ============== 561.645 LDB: ============== END OF LOAD BALANCING =============== 561.645 LDB: =============== DONE WITH MIGRATION ================ 561.645 PRESSURE: 140300 0 0 0 0 0 0 0 0 0 GPRESSURE: 140300 0 0 0 0 0 0 0 0 0 PRESSAVG: 140300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140300 0 0 0 0 0 0 0 0 0 TIMING: 140300 CPU: 559.267, 0.00398193/step Wall: 559.267, 0.00398193/step, 0.397861 hours remaining, 109.511719 MB of memory in use. ENERGY: 140300 640.9332 1859.6285 2032.6834 103.3558 -14.8947 -1042.9748 148.1377 0.0000 2634.7873 6361.6564 291.0196 3726.8691 6395.9011 294.2063 LDB: ============= START OF LOAD BALANCING ============== 562.043 LDB: ============== END OF LOAD BALANCING =============== 562.043 LDB: =============== DONE WITH MIGRATION ================ 562.043 PRESSURE: 140400 0 0 0 0 0 0 0 0 0 GPRESSURE: 140400 0 0 0 0 0 0 0 0 0 PRESSAVG: 140400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140400 0 0 0 0 0 0 0 0 0 TIMING: 140400 CPU: 559.665, 0.00397943/step Wall: 559.665, 0.00397943/step, 0.397501 hours remaining, 109.511719 MB of memory in use. ENERGY: 140400 599.1979 1881.5831 2036.6721 117.8182 -14.2010 -1069.7605 154.4535 0.0000 2682.9732 6388.7364 296.3419 3705.7632 6421.0562 293.2957 PRESSURE: 140500 0 0 0 0 0 0 0 0 0 GPRESSURE: 140500 0 0 0 0 0 0 0 0 0 PRESSAVG: 140500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140500 0 0 0 0 0 0 0 0 0 TIMING: 140500 CPU: 560.063, 0.00398107/step Wall: 560.063, 0.00398107/step, 0.397554 hours remaining, 109.511719 MB of memory in use. ENERGY: 140500 608.4597 1859.6558 2027.9990 114.1419 -13.6898 -1047.1295 161.8595 0.0000 2676.7777 6388.0744 295.6576 3711.2966 6421.3799 294.5283 PRESSURE: 140600 0 0 0 0 0 0 0 0 0 GPRESSURE: 140600 0 0 0 0 0 0 0 0 0 PRESSAVG: 140600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140600 0 0 0 0 0 0 0 0 0 TIMING: 140600 CPU: 560.461, 0.00397311/step Wall: 560.461, 0.00397311/step, 0.396649 hours remaining, 109.511719 MB of memory in use. ENERGY: 140600 630.8997 1862.6055 2018.1673 114.7204 -15.1377 -1028.0524 158.7975 0.0000 2646.7268 6388.7271 292.3383 3742.0004 6422.2850 294.9704 PRESSURE: 140700 0 0 0 0 0 0 0 0 0 GPRESSURE: 140700 0 0 0 0 0 0 0 0 0 PRESSAVG: 140700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140700 0 0 0 0 0 0 0 0 0 TIMING: 140700 CPU: 560.858, 0.00396883/step Wall: 560.858, 0.00396883/step, 0.396111 hours remaining, 109.511719 MB of memory in use. ENERGY: 140700 603.1998 1905.2317 1990.6852 103.0028 -15.3987 -1025.7551 159.8167 0.0000 2659.3674 6380.1497 293.7345 3720.7823 6414.3925 293.8536 PRESSURE: 140800 0 0 0 0 0 0 0 0 0 GPRESSURE: 140800 0 0 0 0 0 0 0 0 0 PRESSAVG: 140800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140800 0 0 0 0 0 0 0 0 0 TIMING: 140800 CPU: 561.256, 0.00398491/step Wall: 561.256, 0.00398491/step, 0.397606 hours remaining, 109.511719 MB of memory in use. ENERGY: 140800 667.1373 1897.6436 1995.0664 92.1057 -15.0344 -1041.7215 169.0027 0.0000 2654.5850 6418.7848 293.2063 3764.1998 6447.6119 294.3322 PRESSURE: 140900 0 0 0 0 0 0 0 0 0 GPRESSURE: 140900 0 0 0 0 0 0 0 0 0 PRESSAVG: 140900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 140900 0 0 0 0 0 0 0 0 0 TIMING: 140900 CPU: 561.654, 0.0039766/step Wall: 561.654, 0.0039766/step, 0.396666 hours remaining, 109.511719 MB of memory in use. ENERGY: 140900 635.6932 1884.1767 2001.6678 97.4242 -14.6034 -1077.6130 166.7114 0.0000 2715.0213 6408.4782 299.8817 3693.4569 6444.2204 296.5468 PRESSURE: 141000 0 0 0 0 0 0 0 0 0 GPRESSURE: 141000 0 0 0 0 0 0 0 0 0 PRESSAVG: 141000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141000 0 0 0 0 0 0 0 0 0 TIMING: 141000 CPU: 562.052, 0.00398229/step Wall: 562.052, 0.00398229/step, 0.397123 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 141000 605.2578 1811.6114 2033.8342 110.3591 -13.8259 -1058.3881 166.4575 0.0000 2702.8584 6358.1644 298.5382 3655.3061 6394.6260 294.4924 PRESSURE: 141100 0 0 0 0 0 0 0 0 0 GPRESSURE: 141100 0 0 0 0 0 0 0 0 0 PRESSAVG: 141100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141100 0 0 0 0 0 0 0 0 0 TIMING: 141100 CPU: 562.449, 0.00397282/step Wall: 562.449, 0.00397282/step, 0.396068 hours remaining, 109.511719 MB of memory in use. ENERGY: 141100 658.5291 1841.8770 2003.3319 109.3713 -14.8517 -1056.5579 166.3818 0.0000 2675.2938 6383.3752 295.4937 3708.0814 6415.6951 294.1136 PRESSURE: 141200 0 0 0 0 0 0 0 0 0 GPRESSURE: 141200 0 0 0 0 0 0 0 0 0 PRESSAVG: 141200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141200 0 0 0 0 0 0 0 0 0 TIMING: 141200 CPU: 562.847, 0.00397337/step Wall: 562.847, 0.00397336/step, 0.396011 hours remaining, 109.511719 MB of memory in use. ENERGY: 141200 617.8714 1842.9949 2005.9279 100.9380 -14.5262 -1028.6149 163.8958 0.0000 2676.5126 6364.9994 295.6283 3688.4868 6399.5273 293.1631 PRESSURE: 141300 0 0 0 0 0 0 0 0 0 GPRESSURE: 141300 0 0 0 0 0 0 0 0 0 PRESSAVG: 141300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141300 0 0 0 0 0 0 0 0 0 TIMING: 141300 CPU: 563.245, 0.00398456/step Wall: 563.245, 0.00398457/step, 0.397018 hours remaining, 109.511719 MB of memory in use. ENERGY: 141300 645.6489 1869.4390 2001.9219 102.5510 -14.2826 -1031.5922 163.6152 0.0000 2666.3648 6403.6661 294.5074 3737.3012 6436.1432 294.9118 PRESSURE: 141400 0 0 0 0 0 0 0 0 0 GPRESSURE: 141400 0 0 0 0 0 0 0 0 0 PRESSAVG: 141400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141400 0 0 0 0 0 0 0 0 0 TIMING: 141400 CPU: 563.643, 0.00397396/step Wall: 563.643, 0.00397396/step, 0.395851 hours remaining, 109.511719 MB of memory in use. ENERGY: 141400 654.6234 1828.2218 2012.2847 101.1920 -13.5344 -1031.4591 162.5894 0.0000 2683.4825 6397.4003 296.3981 3713.9178 6431.4845 295.4358 PRESSURE: 141500 0 0 0 0 0 0 0 0 0 GPRESSURE: 141500 0 0 0 0 0 0 0 0 0 PRESSAVG: 141500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141500 0 0 0 0 0 0 0 0 0 TIMING: 141500 CPU: 564.041, 0.00398038/step Wall: 564.041, 0.00398038/step, 0.396379 hours remaining, 109.511719 MB of memory in use. ENERGY: 141500 645.2910 1841.0259 2007.6510 103.0645 -14.5730 -1013.5808 167.8847 0.0000 2670.2169 6406.9801 294.9329 3736.7632 6439.0225 294.8643 PRESSURE: 141600 0 0 0 0 0 0 0 0 0 GPRESSURE: 141600 0 0 0 0 0 0 0 0 0 PRESSAVG: 141600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141600 0 0 0 0 0 0 0 0 0 TIMING: 141600 CPU: 564.438, 0.00397103/step Wall: 564.438, 0.00397103/step, 0.395338 hours remaining, 109.511719 MB of memory in use. ENERGY: 141600 609.1877 1854.5684 2000.9780 102.9086 -14.2781 -1038.6526 165.4383 0.0000 2689.9807 6370.1310 297.1159 3680.1504 6403.0974 295.6525 PRESSURE: 141700 0 0 0 0 0 0 0 0 0 GPRESSURE: 141700 0 0 0 0 0 0 0 0 0 PRESSAVG: 141700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141700 0 0 0 0 0 0 0 0 0 TIMING: 141700 CPU: 564.835, 0.00396924/step Wall: 564.835, 0.00396924/step, 0.39505 hours remaining, 109.511719 MB of memory in use. ENERGY: 141700 652.3160 1834.1734 2001.1952 112.8115 -14.7840 -1065.0789 166.1481 0.0000 2669.2285 6356.0099 294.8237 3686.7814 6390.6166 292.9035 PRESSURE: 141800 0 0 0 0 0 0 0 0 0 GPRESSURE: 141800 0 0 0 0 0 0 0 0 0 PRESSAVG: 141800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141800 0 0 0 0 0 0 0 0 0 TIMING: 141800 CPU: 565.233, 0.00398117/step Wall: 565.233, 0.00398116/step, 0.396125 hours remaining, 109.511719 MB of memory in use. ENERGY: 141800 677.9587 1798.4468 1999.5686 104.3059 -15.0718 -1075.0828 156.2936 0.0000 2726.8630 6373.2820 301.1896 3646.4190 6407.6578 293.8594 PRESSURE: 141900 0 0 0 0 0 0 0 0 0 GPRESSURE: 141900 0 0 0 0 0 0 0 0 0 PRESSAVG: 141900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 141900 0 0 0 0 0 0 0 0 0 TIMING: 141900 CPU: 565.63, 0.00397368/step Wall: 565.63, 0.00397369/step, 0.395272 hours remaining, 109.511719 MB of memory in use. ENERGY: 141900 659.3687 1873.7118 2002.7317 102.6740 -14.5965 -1042.3123 151.7578 0.0000 2703.0408 6436.3760 298.5584 3733.3351 6469.3954 296.0612 PRESSURE: 142000 0 0 0 0 0 0 0 0 0 GPRESSURE: 142000 0 0 0 0 0 0 0 0 0 PRESSAVG: 142000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142000 0 0 0 0 0 0 0 0 0 TIMING: 142000 CPU: 566.028, 0.00398296/step Wall: 566.028, 0.00398296/step, 0.396083 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 142000 662.0879 1843.9346 2008.0192 114.1067 -14.2851 -1057.0618 160.4314 0.0000 2728.9808 6446.2138 301.4235 3717.2330 6479.4192 296.9920 PRESSURE: 142100 0 0 0 0 0 0 0 0 0 GPRESSURE: 142100 0 0 0 0 0 0 0 0 0 PRESSAVG: 142100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142100 0 0 0 0 0 0 0 0 0 TIMING: 142100 CPU: 566.426, 0.00397436/step Wall: 566.426, 0.00397436/step, 0.395118 hours remaining, 109.511719 MB of memory in use. ENERGY: 142100 613.5752 1883.5404 2021.0638 101.2954 -13.7247 -1028.5219 143.8471 0.0000 2706.8058 6427.8811 298.9742 3721.0753 6462.4913 297.0828 PRESSURE: 142200 0 0 0 0 0 0 0 0 0 GPRESSURE: 142200 0 0 0 0 0 0 0 0 0 PRESSAVG: 142200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142200 0 0 0 0 0 0 0 0 0 TIMING: 142200 CPU: 566.823, 0.00397241/step Wall: 566.823, 0.00397241/step, 0.394813 hours remaining, 109.511719 MB of memory in use. ENERGY: 142200 658.1536 1899.8847 2019.1831 100.5398 -14.6744 -1047.9003 160.5510 0.0000 2670.7494 6446.4868 294.9917 3775.7374 6477.4095 297.0734 PRESSURE: 142300 0 0 0 0 0 0 0 0 0 GPRESSURE: 142300 0 0 0 0 0 0 0 0 0 PRESSAVG: 142300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142300 0 0 0 0 0 0 0 0 0 TIMING: 142300 CPU: 567.221, 0.00398104/step Wall: 567.221, 0.00398104/step, 0.395561 hours remaining, 109.511719 MB of memory in use. ENERGY: 142300 674.0001 1891.1968 2013.9450 103.1468 -13.9504 -1066.1367 152.0924 0.0000 2699.1924 6453.4864 298.1333 3754.2940 6486.4715 297.0263 PRESSURE: 142400 0 0 0 0 0 0 0 0 0 GPRESSURE: 142400 0 0 0 0 0 0 0 0 0 PRESSAVG: 142400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142400 0 0 0 0 0 0 0 0 0 TIMING: 142400 CPU: 567.618, 0.00397293/step Wall: 567.618, 0.00397292/step, 0.394644 hours remaining, 109.511719 MB of memory in use. ENERGY: 142400 676.8953 1812.6491 2037.6471 101.4726 -13.2372 -1042.8022 164.8557 0.0000 2769.6570 6507.1374 305.9163 3737.4804 6539.0213 301.0290 PRESSURE: 142500 0 0 0 0 0 0 0 0 0 GPRESSURE: 142500 0 0 0 0 0 0 0 0 0 PRESSAVG: 142500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142500 0 0 0 0 0 0 0 0 0 TIMING: 142500 CPU: 568.017, 0.00398173/step Wall: 568.017, 0.00398174/step, 0.395409 hours remaining, 109.511719 MB of memory in use. ENERGY: 142500 671.9099 1938.2931 1989.8803 108.2692 -13.9758 -1053.1957 190.3233 0.0000 2701.2825 6532.7867 298.3642 3831.5042 6564.7443 300.5364 PRESSURE: 142600 0 0 0 0 0 0 0 0 0 GPRESSURE: 142600 0 0 0 0 0 0 0 0 0 PRESSAVG: 142600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142600 0 0 0 0 0 0 0 0 0 TIMING: 142600 CPU: 568.414, 0.00397106/step Wall: 568.414, 0.00397106/step, 0.394238 hours remaining, 109.511719 MB of memory in use. ENERGY: 142600 680.1360 1882.2594 2012.3878 106.0758 -15.0480 -1051.4138 170.6203 0.0000 2749.8089 6534.8263 303.7240 3785.0175 6569.6389 302.6437 PRESSURE: 142700 0 0 0 0 0 0 0 0 0 GPRESSURE: 142700 0 0 0 0 0 0 0 0 0 PRESSAVG: 142700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142700 0 0 0 0 0 0 0 0 0 TIMING: 142700 CPU: 568.811, 0.0039721/step Wall: 568.811, 0.0039721/step, 0.394231 hours remaining, 109.511719 MB of memory in use. ENERGY: 142700 679.3078 1935.1174 1989.6287 99.0196 -14.6297 -1032.4539 144.0576 0.0000 2753.7768 6553.8242 304.1623 3800.0475 6586.7772 304.0777 PRESSURE: 142800 0 0 0 0 0 0 0 0 0 GPRESSURE: 142800 0 0 0 0 0 0 0 0 0 PRESSAVG: 142800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142800 0 0 0 0 0 0 0 0 0 TIMING: 142800 CPU: 569.209, 0.00398224/step Wall: 569.209, 0.00398224/step, 0.395127 hours remaining, 109.511719 MB of memory in use. ENERGY: 142800 649.5963 1896.8685 2037.9304 113.6976 -14.9463 -1024.3587 155.2153 0.0000 2701.1039 6515.1069 298.3445 3814.0030 6546.4685 301.4688 PRESSURE: 142900 0 0 0 0 0 0 0 0 0 GPRESSURE: 142900 0 0 0 0 0 0 0 0 0 PRESSAVG: 142900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 142900 0 0 0 0 0 0 0 0 0 TIMING: 142900 CPU: 569.607, 0.00397471/step Wall: 569.607, 0.00397471/step, 0.394269 hours remaining, 109.511719 MB of memory in use. ENERGY: 142900 626.4836 1941.3995 1999.3090 105.8418 -14.4708 -1003.9003 150.3646 0.0000 2740.0053 6545.0326 302.6412 3805.0273 6575.4529 303.0757 PRESSURE: 143000 0 0 0 0 0 0 0 0 0 GPRESSURE: 143000 0 0 0 0 0 0 0 0 0 PRESSAVG: 143000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143000 0 0 0 0 0 0 0 0 0 TIMING: 143000 CPU: 570.005, 0.00398422/step Wall: 570.005, 0.00398422/step, 0.395102 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 143000 664.3313 1886.9409 1996.6945 105.4728 -14.7441 -1009.0154 153.2539 0.0000 2751.3670 6534.3009 303.8962 3782.9339 6567.7237 302.8577 PRESSURE: 143100 0 0 0 0 0 0 0 0 0 GPRESSURE: 143100 0 0 0 0 0 0 0 0 0 PRESSAVG: 143100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143100 0 0 0 0 0 0 0 0 0 TIMING: 143100 CPU: 570.402, 0.00397341/step Wall: 570.402, 0.00397341/step, 0.393919 hours remaining, 109.511719 MB of memory in use. ENERGY: 143100 640.1481 1938.0660 1994.6425 107.4777 -14.2752 -1045.5469 163.1270 0.0000 2754.0996 6537.7388 304.1980 3783.6392 6567.6269 303.1654 PRESSURE: 143200 0 0 0 0 0 0 0 0 0 GPRESSURE: 143200 0 0 0 0 0 0 0 0 0 PRESSAVG: 143200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143200 0 0 0 0 0 0 0 0 0 TIMING: 143200 CPU: 570.8, 0.00397322/step Wall: 570.8, 0.00397322/step, 0.39379 hours remaining, 109.511719 MB of memory in use. ENERGY: 143200 646.4928 1907.6557 2000.6462 105.3837 -15.5887 -1074.6796 159.9355 0.0000 2755.2058 6485.0514 304.3202 3729.8456 6522.5929 301.6079 PRESSURE: 143300 0 0 0 0 0 0 0 0 0 GPRESSURE: 143300 0 0 0 0 0 0 0 0 0 PRESSAVG: 143300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143300 0 0 0 0 0 0 0 0 0 TIMING: 143300 CPU: 571.198, 0.00398184/step Wall: 571.198, 0.00398184/step, 0.394534 hours remaining, 109.511719 MB of memory in use. ENERGY: 143300 685.7293 1881.1106 2003.5993 115.8633 -14.2600 -1012.3965 146.0353 0.0000 2684.4455 6490.1268 296.5045 3805.6813 6521.9012 301.4139 PRESSURE: 143400 0 0 0 0 0 0 0 0 0 GPRESSURE: 143400 0 0 0 0 0 0 0 0 0 PRESSAVG: 143400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143400 0 0 0 0 0 0 0 0 0 TIMING: 143400 CPU: 571.595, 0.00397235/step Wall: 571.595, 0.00397235/step, 0.393483 hours remaining, 109.511719 MB of memory in use. ENERGY: 143400 690.0050 1912.7299 2013.5893 113.7460 -14.6718 -1075.4132 171.6943 0.0000 2730.3002 6541.9798 301.5693 3811.6796 6577.9813 300.8737 PRESSURE: 143500 0 0 0 0 0 0 0 0 0 GPRESSURE: 143500 0 0 0 0 0 0 0 0 0 PRESSAVG: 143500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143500 0 0 0 0 0 0 0 0 0 TIMING: 143500 CPU: 571.993, 0.00398214/step Wall: 571.993, 0.00398214/step, 0.394343 hours remaining, 109.511719 MB of memory in use. ENERGY: 143500 673.5904 1903.6507 2020.5894 117.5088 -15.6520 -1053.5463 155.5396 0.0000 2758.9721 6560.6526 304.7361 3801.6805 6594.2613 303.5310 PRESSURE: 143600 0 0 0 0 0 0 0 0 0 GPRESSURE: 143600 0 0 0 0 0 0 0 0 0 PRESSAVG: 143600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143600 0 0 0 0 0 0 0 0 0 TIMING: 143600 CPU: 572.39, 0.00397067/step Wall: 572.39, 0.00397067/step, 0.393096 hours remaining, 109.511719 MB of memory in use. ENERGY: 143600 653.2021 1892.7492 2019.2879 107.7475 -12.8292 -1056.7558 170.8218 0.0000 2751.3070 6525.5304 303.8895 3774.2235 6562.1354 303.9521 PRESSURE: 143700 0 0 0 0 0 0 0 0 0 GPRESSURE: 143700 0 0 0 0 0 0 0 0 0 PRESSAVG: 143700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143700 0 0 0 0 0 0 0 0 0 TIMING: 143700 CPU: 572.787, 0.00396978/step Wall: 572.787, 0.00396977/step, 0.392897 hours remaining, 109.511719 MB of memory in use. ENERGY: 143700 674.2355 1899.8654 2036.3442 111.4001 -14.1786 -1033.4709 152.2930 0.0000 2709.0159 6535.5047 299.2184 3826.4887 6567.7762 301.5650 PRESSURE: 143800 0 0 0 0 0 0 0 0 0 GPRESSURE: 143800 0 0 0 0 0 0 0 0 0 PRESSAVG: 143800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143800 0 0 0 0 0 0 0 0 0 TIMING: 143800 CPU: 573.185, 0.00398049/step Wall: 573.185, 0.0039805/step, 0.393848 hours remaining, 109.511719 MB of memory in use. ENERGY: 143800 650.7116 1924.6711 2031.6005 100.9318 -14.8294 -1016.9411 153.5365 0.0000 2672.9987 6502.6797 295.2401 3829.6810 6535.5435 301.9795 PRESSURE: 143900 0 0 0 0 0 0 0 0 0 GPRESSURE: 143900 0 0 0 0 0 0 0 0 0 PRESSAVG: 143900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 143900 0 0 0 0 0 0 0 0 0 TIMING: 143900 CPU: 573.583, 0.00397479/step Wall: 573.583, 0.00397479/step, 0.393173 hours remaining, 109.511719 MB of memory in use. ENERGY: 143900 643.4419 1890.4638 2018.3946 118.7755 -15.4243 -1085.9933 164.8924 0.0000 2741.2488 6475.7994 302.7786 3734.5506 6508.1984 300.7530 PRESSURE: 144000 0 0 0 0 0 0 0 0 0 GPRESSURE: 144000 0 0 0 0 0 0 0 0 0 PRESSAVG: 144000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144000 0 0 0 0 0 0 0 0 0 TIMING: 144000 CPU: 573.981, 0.00398164/step Wall: 573.981, 0.00398164/step, 0.39374 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 144000 671.7577 1914.3265 2009.2016 93.6080 -14.1949 -1040.7639 172.1310 0.0000 2636.6725 6442.7384 291.2278 3806.0659 6469.8750 298.2907 PRESSURE: 144100 0 0 0 0 0 0 0 0 0 GPRESSURE: 144100 0 0 0 0 0 0 0 0 0 PRESSAVG: 144100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144100 0 0 0 0 0 0 0 0 0 TIMING: 144100 CPU: 574.378, 0.00397187/step Wall: 574.378, 0.00397187/step, 0.392663 hours remaining, 109.511719 MB of memory in use. ENERGY: 144100 687.7966 1882.7560 1996.0021 106.8438 -15.0561 -1048.2208 159.0003 0.0000 2697.4259 6466.5479 297.9382 3769.1220 6497.9326 298.7321 PRESSURE: 144200 0 0 0 0 0 0 0 0 0 GPRESSURE: 144200 0 0 0 0 0 0 0 0 0 PRESSAVG: 144200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144200 0 0 0 0 0 0 0 0 0 TIMING: 144200 CPU: 574.775, 0.0039716/step Wall: 574.775, 0.0039716/step, 0.392527 hours remaining, 109.511719 MB of memory in use. ENERGY: 144200 643.0727 1900.8184 2005.2077 101.1441 -14.9380 -1019.7191 161.4125 0.0000 2691.7864 6468.7848 297.3153 3776.9984 6502.7130 298.6091 LDB: ============= START OF LOAD BALANCING ============== 577.552 LDB: ============== END OF LOAD BALANCING =============== 577.552 LDB: =============== DONE WITH MIGRATION ================ 577.552 PRESSURE: 144300 0 0 0 0 0 0 0 0 0 GPRESSURE: 144300 0 0 0 0 0 0 0 0 0 PRESSAVG: 144300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144300 0 0 0 0 0 0 0 0 0 TIMING: 144300 CPU: 575.174, 0.00398697/step Wall: 575.174, 0.00398697/step, 0.393935 hours remaining, 109.511719 MB of memory in use. ENERGY: 144300 657.4658 1912.5329 2014.9270 101.9120 -15.0019 -1062.3149 164.6198 0.0000 2721.8812 6496.0219 300.6394 3774.1407 6529.3920 300.8156 LDB: ============= START OF LOAD BALANCING ============== 577.95 LDB: ============== END OF LOAD BALANCING =============== 577.95 LDB: =============== DONE WITH MIGRATION ================ 577.95 PRESSURE: 144400 0 0 0 0 0 0 0 0 0 GPRESSURE: 144400 0 0 0 0 0 0 0 0 0 PRESSAVG: 144400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144400 0 0 0 0 0 0 0 0 0 TIMING: 144400 CPU: 575.572, 0.00398272/step Wall: 575.572, 0.00398272/step, 0.393404 hours remaining, 109.511719 MB of memory in use. ENERGY: 144400 647.7822 1872.2325 2041.5119 108.2764 -14.5727 -1012.4832 153.5504 0.0000 2726.3287 6522.6262 301.1306 3796.2975 6556.2104 301.2027 PRESSURE: 144500 0 0 0 0 0 0 0 0 0 GPRESSURE: 144500 0 0 0 0 0 0 0 0 0 PRESSAVG: 144500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144500 0 0 0 0 0 0 0 0 0 TIMING: 144500 CPU: 575.97, 0.00398075/step Wall: 575.97, 0.00398075/step, 0.393099 hours remaining, 109.511719 MB of memory in use. ENERGY: 144500 654.8246 1882.3865 2014.1767 109.2265 -15.1084 -1023.2467 148.7908 0.0000 2729.2218 6500.2718 301.4502 3771.0500 6531.4614 300.7817 PRESSURE: 144600 0 0 0 0 0 0 0 0 0 GPRESSURE: 144600 0 0 0 0 0 0 0 0 0 PRESSAVG: 144600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144600 0 0 0 0 0 0 0 0 0 TIMING: 144600 CPU: 576.368, 0.00397006/step Wall: 576.368, 0.00397006/step, 0.391933 hours remaining, 109.511719 MB of memory in use. ENERGY: 144600 676.9202 1871.8467 2006.0178 103.7895 -15.3171 -1039.4100 161.2749 0.0000 2699.0496 6464.1717 298.1175 3765.1221 6494.8516 300.3730 PRESSURE: 144700 0 0 0 0 0 0 0 0 0 GPRESSURE: 144700 0 0 0 0 0 0 0 0 0 PRESSAVG: 144700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144700 0 0 0 0 0 0 0 0 0 TIMING: 144700 CPU: 576.765, 0.00397053/step Wall: 576.765, 0.00397052/step, 0.391868 hours remaining, 109.511719 MB of memory in use. ENERGY: 144700 644.6760 1832.7686 2013.0925 115.8010 -14.0678 -1023.8186 162.4965 0.0000 2716.0057 6446.9539 299.9904 3730.9482 6480.9246 298.5153 PRESSURE: 144800 0 0 0 0 0 0 0 0 0 GPRESSURE: 144800 0 0 0 0 0 0 0 0 0 PRESSAVG: 144800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144800 0 0 0 0 0 0 0 0 0 TIMING: 144800 CPU: 577.163, 0.00398299/step Wall: 577.163, 0.003983/step, 0.392989 hours remaining, 109.511719 MB of memory in use. ENERGY: 144800 652.1317 1814.7939 2013.6751 105.8090 -15.0775 -1005.2473 149.9542 0.0000 2690.6990 6406.7382 297.1952 3716.0391 6439.7112 297.1578 PRESSURE: 144900 0 0 0 0 0 0 0 0 0 GPRESSURE: 144900 0 0 0 0 0 0 0 0 0 PRESSAVG: 144900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 144900 0 0 0 0 0 0 0 0 0 TIMING: 144900 CPU: 577.56, 0.00397213/step Wall: 577.56, 0.00397213/step, 0.391806 hours remaining, 109.511719 MB of memory in use. ENERGY: 144900 680.3769 1855.0585 2001.6940 111.1627 -14.2362 -1012.2951 168.7614 0.0000 2656.2108 6446.7331 293.3859 3790.5223 6480.1545 296.0245 PRESSURE: 145000 0 0 0 0 0 0 0 0 0 GPRESSURE: 145000 0 0 0 0 0 0 0 0 0 PRESSAVG: 145000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145000 0 0 0 0 0 0 0 0 0 TIMING: 145000 CPU: 577.958, 0.00397999/step Wall: 577.958, 0.00397999/step, 0.392471 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 145000 660.9021 1879.0098 2008.9697 117.9798 -14.2141 -1040.1640 150.7087 0.0000 2684.0263 6447.2183 296.4582 3763.1920 6482.0339 296.9941 PRESSURE: 145100 0 0 0 0 0 0 0 0 0 GPRESSURE: 145100 0 0 0 0 0 0 0 0 0 PRESSAVG: 145100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145100 0 0 0 0 0 0 0 0 0 TIMING: 145100 CPU: 578.355, 0.00396972/step Wall: 578.355, 0.00396972/step, 0.391348 hours remaining, 109.511719 MB of memory in use. ENERGY: 145100 650.4247 1853.8675 2000.0515 105.1518 -13.9430 -1047.9311 164.9137 0.0000 2714.6198 6427.1549 299.8373 3712.5351 6459.9365 297.3340 PRESSURE: 145200 0 0 0 0 0 0 0 0 0 GPRESSURE: 145200 0 0 0 0 0 0 0 0 0 PRESSAVG: 145200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145200 0 0 0 0 0 0 0 0 0 TIMING: 145200 CPU: 578.752, 0.00397132/step Wall: 578.752, 0.00397132/step, 0.391396 hours remaining, 109.511719 MB of memory in use. ENERGY: 145200 655.4803 1879.6993 1995.3020 102.9907 -13.9957 -1016.9275 166.6395 0.0000 2732.1106 6501.2993 301.7692 3769.1887 6533.7776 298.7827 PRESSURE: 145300 0 0 0 0 0 0 0 0 0 GPRESSURE: 145300 0 0 0 0 0 0 0 0 0 PRESSAVG: 145300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145300 0 0 0 0 0 0 0 0 0 TIMING: 145300 CPU: 579.15, 0.00398125/step Wall: 579.15, 0.00398125/step, 0.392264 hours remaining, 109.511719 MB of memory in use. ENERGY: 145300 678.1299 1859.8474 2035.9442 106.5881 -13.8481 -1019.6525 157.4364 0.0000 2712.2027 6516.6482 299.5703 3804.4455 6548.7317 302.0111 PRESSURE: 145400 0 0 0 0 0 0 0 0 0 GPRESSURE: 145400 0 0 0 0 0 0 0 0 0 PRESSAVG: 145400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145400 0 0 0 0 0 0 0 0 0 TIMING: 145400 CPU: 579.547, 0.00397078/step Wall: 579.547, 0.00397078/step, 0.391122 hours remaining, 109.511719 MB of memory in use. ENERGY: 145400 658.9261 1839.2115 2018.0242 118.6255 -14.6837 -1002.9502 170.1282 0.0000 2713.3259 6500.6074 299.6944 3787.2815 6531.3050 301.3013 PRESSURE: 145500 0 0 0 0 0 0 0 0 0 GPRESSURE: 145500 0 0 0 0 0 0 0 0 0 PRESSAVG: 145500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145500 0 0 0 0 0 0 0 0 0 TIMING: 145500 CPU: 579.945, 0.00398003/step Wall: 579.945, 0.00398003/step, 0.391922 hours remaining, 109.511719 MB of memory in use. ENERGY: 145500 636.2310 1931.3604 2028.4447 110.9067 -14.6557 -1045.4250 172.4162 0.0000 2672.4851 6491.7634 295.1834 3819.2783 6524.4373 301.7464 PRESSURE: 145600 0 0 0 0 0 0 0 0 0 GPRESSURE: 145600 0 0 0 0 0 0 0 0 0 PRESSAVG: 145600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145600 0 0 0 0 0 0 0 0 0 TIMING: 145600 CPU: 580.343, 0.00397252/step Wall: 580.343, 0.00397252/step, 0.391073 hours remaining, 109.511719 MB of memory in use. ENERGY: 145600 672.4250 1909.6285 2004.8081 108.1301 -16.1015 -1051.4137 160.9008 0.0000 2670.4859 6458.8631 294.9626 3788.3772 6492.0288 300.5385 PRESSURE: 145700 0 0 0 0 0 0 0 0 0 GPRESSURE: 145700 0 0 0 0 0 0 0 0 0 PRESSAVG: 145700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145700 0 0 0 0 0 0 0 0 0 TIMING: 145700 CPU: 580.74, 0.00396969/step Wall: 580.74, 0.00396969/step, 0.390684 hours remaining, 109.511719 MB of memory in use. ENERGY: 145700 644.8796 1845.6388 2011.6796 97.6198 -14.3279 -1053.0611 166.5502 0.0000 2736.4916 6435.4706 302.2531 3698.9791 6467.7303 296.8383 PRESSURE: 145800 0 0 0 0 0 0 0 0 0 GPRESSURE: 145800 0 0 0 0 0 0 0 0 0 PRESSAVG: 145800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145800 0 0 0 0 0 0 0 0 0 TIMING: 145800 CPU: 581.138, 0.00398129/step Wall: 581.138, 0.00398129/step, 0.391715 hours remaining, 109.511719 MB of memory in use. ENERGY: 145800 648.3880 1905.3876 1990.5799 101.4009 -15.7989 -1026.8204 158.2774 0.0000 2706.8536 6468.2681 298.9795 3761.4144 6498.0998 298.9810 PRESSURE: 145900 0 0 0 0 0 0 0 0 0 GPRESSURE: 145900 0 0 0 0 0 0 0 0 0 PRESSAVG: 145900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 145900 0 0 0 0 0 0 0 0 0 TIMING: 145900 CPU: 581.535, 0.00397396/step Wall: 581.535, 0.00397396/step, 0.390883 hours remaining, 109.511719 MB of memory in use. ENERGY: 145900 656.5750 1894.5192 1995.7526 112.3256 -15.6649 -1037.8375 164.7469 0.0000 2681.6697 6452.0866 296.1979 3770.4169 6485.6276 297.0783 PRESSURE: 146000 0 0 0 0 0 0 0 0 0 GPRESSURE: 146000 0 0 0 0 0 0 0 0 0 PRESSAVG: 146000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146000 0 0 0 0 0 0 0 0 0 TIMING: 146000 CPU: 581.933, 0.00398081/step Wall: 581.933, 0.00398081/step, 0.391446 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 146000 696.8190 1862.0568 2021.4587 94.5833 -14.6050 -1075.5521 162.1837 0.0000 2743.8648 6490.8093 303.0675 3746.9445 6524.3103 298.6363 PRESSURE: 146100 0 0 0 0 0 0 0 0 0 GPRESSURE: 146100 0 0 0 0 0 0 0 0 0 PRESSAVG: 146100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146100 0 0 0 0 0 0 0 0 0 TIMING: 146100 CPU: 582.33, 0.0039712/step Wall: 582.33, 0.0039712/step, 0.390391 hours remaining, 109.511719 MB of memory in use. ENERGY: 146100 646.5268 1870.1864 2007.5292 108.7120 -13.8444 -1046.2404 170.4260 0.0000 2729.5701 6472.8656 301.4886 3743.2955 6506.9897 298.6668 PRESSURE: 146200 0 0 0 0 0 0 0 0 0 GPRESSURE: 146200 0 0 0 0 0 0 0 0 0 PRESSAVG: 146200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146200 0 0 0 0 0 0 0 0 0 TIMING: 146200 CPU: 582.727, 0.0039706/step Wall: 582.727, 0.0039706/step, 0.390222 hours remaining, 109.511719 MB of memory in use. ENERGY: 146200 673.0391 1878.0076 2015.7739 99.9316 -14.2873 -1042.6758 166.4641 0.0000 2690.7420 6466.9951 297.2000 3776.2531 6500.6565 298.7609 PRESSURE: 146300 0 0 0 0 0 0 0 0 0 GPRESSURE: 146300 0 0 0 0 0 0 0 0 0 PRESSAVG: 146300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146300 0 0 0 0 0 0 0 0 0 TIMING: 146300 CPU: 583.126, 0.00398274/step Wall: 583.126, 0.00398274/step, 0.391304 hours remaining, 109.511719 MB of memory in use. ENERGY: 146300 665.9017 1930.3141 2015.8112 92.8153 -14.2954 -1046.9314 139.8811 0.0000 2695.1057 6478.6023 297.6819 3783.4966 6508.7121 299.3494 PRESSURE: 146400 0 0 0 0 0 0 0 0 0 GPRESSURE: 146400 0 0 0 0 0 0 0 0 0 PRESSAVG: 146400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146400 0 0 0 0 0 0 0 0 0 TIMING: 146400 CPU: 583.523, 0.00397437/step Wall: 583.523, 0.00397437/step, 0.390372 hours remaining, 109.511719 MB of memory in use. ENERGY: 146400 628.3943 1919.0615 2015.2077 110.8854 -14.8562 -1065.4572 161.3549 0.0000 2705.9026 6460.4930 298.8745 3754.5904 6494.9531 298.4648 PRESSURE: 146500 0 0 0 0 0 0 0 0 0 GPRESSURE: 146500 0 0 0 0 0 0 0 0 0 PRESSAVG: 146500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146500 0 0 0 0 0 0 0 0 0 TIMING: 146500 CPU: 583.92, 0.00397353/step Wall: 583.92, 0.00397353/step, 0.390179 hours remaining, 109.511719 MB of memory in use. ENERGY: 146500 659.1544 1877.9137 2015.1931 102.6977 -14.6657 -1055.0166 157.6405 0.0000 2744.6919 6487.6090 303.1589 3742.9170 6518.2117 300.1077 PRESSURE: 146600 0 0 0 0 0 0 0 0 0 GPRESSURE: 146600 0 0 0 0 0 0 0 0 0 PRESSAVG: 146600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146600 0 0 0 0 0 0 0 0 0 TIMING: 146600 CPU: 584.319, 0.00398166/step Wall: 584.319, 0.00398166/step, 0.390866 hours remaining, 109.511719 MB of memory in use. ENERGY: 146600 646.4688 1876.7009 2019.1375 95.2572 -14.3826 -1039.0336 168.7011 0.0000 2703.6400 6456.4892 298.6246 3752.8492 6492.7854 298.9214 PRESSURE: 146700 0 0 0 0 0 0 0 0 0 GPRESSURE: 146700 0 0 0 0 0 0 0 0 0 PRESSAVG: 146700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146700 0 0 0 0 0 0 0 0 0 TIMING: 146700 CPU: 584.716, 0.00397199/step Wall: 584.716, 0.00397199/step, 0.389807 hours remaining, 109.511719 MB of memory in use. ENERGY: 146700 642.0014 1801.2826 1986.0284 114.3743 -15.4703 -1024.1269 142.9396 0.0000 2819.0440 6466.0730 311.3713 3647.0290 6502.5311 299.4764 PRESSURE: 146800 0 0 0 0 0 0 0 0 0 GPRESSURE: 146800 0 0 0 0 0 0 0 0 0 PRESSAVG: 146800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146800 0 0 0 0 0 0 0 0 0 TIMING: 146800 CPU: 585.114, 0.0039813/step Wall: 585.114, 0.00398129/step, 0.390609 hours remaining, 109.511719 MB of memory in use. ENERGY: 146800 659.2759 1837.9944 2018.4607 102.9391 -14.4291 -1011.9355 151.9977 0.0000 2731.9508 6476.2540 301.7516 3744.3032 6511.6708 299.4289 PRESSURE: 146900 0 0 0 0 0 0 0 0 0 GPRESSURE: 146900 0 0 0 0 0 0 0 0 0 PRESSAVG: 146900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 146900 0 0 0 0 0 0 0 0 0 TIMING: 146900 CPU: 585.511, 0.00397421/step Wall: 585.511, 0.00397422/step, 0.389805 hours remaining, 109.511719 MB of memory in use. ENERGY: 146900 616.6863 1870.6725 2020.5832 113.0781 -14.9402 -1009.3495 150.9517 0.0000 2723.8682 6471.5502 300.8588 3747.6821 6504.1137 301.1697 PRESSURE: 147000 0 0 0 0 0 0 0 0 0 GPRESSURE: 147000 0 0 0 0 0 0 0 0 0 PRESSAVG: 147000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147000 0 0 0 0 0 0 0 0 0 TIMING: 147000 CPU: 585.909, 0.0039718/step Wall: 585.909, 0.0039718/step, 0.389457 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 147000 625.2430 1931.0319 2027.6015 108.0776 -15.6638 -1066.1956 152.2330 0.0000 2694.9945 6457.3221 297.6696 3762.3276 6492.9262 299.1250 PRESSURE: 147100 0 0 0 0 0 0 0 0 0 GPRESSURE: 147100 0 0 0 0 0 0 0 0 0 PRESSAVG: 147100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147100 0 0 0 0 0 0 0 0 0 TIMING: 147100 CPU: 586.307, 0.00398124/step Wall: 586.307, 0.00398124/step, 0.390272 hours remaining, 109.511719 MB of memory in use. ENERGY: 147100 646.3209 1926.5411 2003.6634 109.2237 -14.7874 -1052.5926 167.6000 0.0000 2693.4430 6479.4120 297.4983 3785.9691 6510.6836 297.5427 PRESSURE: 147200 0 0 0 0 0 0 0 0 0 GPRESSURE: 147200 0 0 0 0 0 0 0 0 0 PRESSAVG: 147200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147200 0 0 0 0 0 0 0 0 0 TIMING: 147200 CPU: 586.704, 0.00397143/step Wall: 586.704, 0.00397143/step, 0.3892 hours remaining, 109.511719 MB of memory in use. ENERGY: 147200 643.8103 1918.1891 2011.5889 105.8697 -14.3642 -1051.3509 148.5161 0.0000 2754.6817 6516.9408 304.2623 3762.2590 6546.1299 301.9956 PRESSURE: 147300 0 0 0 0 0 0 0 0 0 GPRESSURE: 147300 0 0 0 0 0 0 0 0 0 PRESSAVG: 147300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147300 0 0 0 0 0 0 0 0 0 TIMING: 147300 CPU: 587.102, 0.00397972/step Wall: 587.102, 0.00397972/step, 0.389902 hours remaining, 109.511719 MB of memory in use. ENERGY: 147300 614.7480 1926.3825 2024.4134 109.2678 -14.1500 -1038.7675 166.4904 0.0000 2720.6616 6509.0463 300.5047 3788.3846 6543.0002 301.1900 PRESSURE: 147400 0 0 0 0 0 0 0 0 0 GPRESSURE: 147400 0 0 0 0 0 0 0 0 0 PRESSAVG: 147400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147400 0 0 0 0 0 0 0 0 0 TIMING: 147400 CPU: 587.499, 0.00397157/step Wall: 587.499, 0.00397157/step, 0.388993 hours remaining, 109.511719 MB of memory in use. ENERGY: 147400 663.7472 1918.4234 2037.0539 102.8779 -15.7223 -1046.6576 151.2174 0.0000 2683.2713 6494.2112 296.3748 3810.9399 6527.8511 300.8740 PRESSURE: 147500 0 0 0 0 0 0 0 0 0 GPRESSURE: 147500 0 0 0 0 0 0 0 0 0 PRESSAVG: 147500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147500 0 0 0 0 0 0 0 0 0 TIMING: 147500 CPU: 587.896, 0.00396981/step Wall: 587.896, 0.00396981/step, 0.388711 hours remaining, 109.511719 MB of memory in use. ENERGY: 147500 643.2529 1887.0889 2020.7352 106.1811 -13.6762 -1048.1677 167.8000 0.0000 2745.5177 6508.7319 303.2501 3763.2142 6541.6492 302.3620 PRESSURE: 147600 0 0 0 0 0 0 0 0 0 GPRESSURE: 147600 0 0 0 0 0 0 0 0 0 PRESSAVG: 147600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147600 0 0 0 0 0 0 0 0 0 TIMING: 147600 CPU: 588.295, 0.00398612/step Wall: 588.295, 0.00398612/step, 0.390197 hours remaining, 109.511719 MB of memory in use. ENERGY: 147600 648.4093 1842.6447 2035.7659 99.7554 -15.0271 -1031.6486 165.1710 0.0000 2730.5351 6475.6057 301.5952 3745.0706 6505.6718 299.7887 PRESSURE: 147700 0 0 0 0 0 0 0 0 0 GPRESSURE: 147700 0 0 0 0 0 0 0 0 0 PRESSAVG: 147700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147700 0 0 0 0 0 0 0 0 0 TIMING: 147700 CPU: 588.692, 0.0039713/step Wall: 588.692, 0.0039713/step, 0.388636 hours remaining, 109.511719 MB of memory in use. ENERGY: 147700 660.3311 1863.9543 2037.0376 105.9051 -14.9169 -1031.7755 149.8550 0.0000 2708.7600 6479.1507 299.1901 3770.3906 6511.7377 301.0353 PRESSURE: 147800 0 0 0 0 0 0 0 0 0 GPRESSURE: 147800 0 0 0 0 0 0 0 0 0 PRESSAVG: 147800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147800 0 0 0 0 0 0 0 0 0 TIMING: 147800 CPU: 589.09, 0.00398446/step Wall: 589.09, 0.00398446/step, 0.389813 hours remaining, 109.511719 MB of memory in use. ENERGY: 147800 610.9267 1847.5443 2030.5353 97.2708 -14.6630 -992.9572 163.7102 0.0000 2710.7417 6453.1089 299.4090 3742.3672 6485.6605 297.9917 PRESSURE: 147900 0 0 0 0 0 0 0 0 0 GPRESSURE: 147900 0 0 0 0 0 0 0 0 0 PRESSAVG: 147900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 147900 0 0 0 0 0 0 0 0 0 TIMING: 147900 CPU: 589.488, 0.00397444/step Wall: 589.488, 0.00397444/step, 0.388722 hours remaining, 109.511719 MB of memory in use. ENERGY: 147900 618.6754 1887.3263 2038.7922 96.3529 -14.9458 -1062.4799 157.1593 0.0000 2749.6772 6470.5575 303.7095 3720.8804 6504.3716 300.4372 PRESSURE: 148000 0 0 0 0 0 0 0 0 0 GPRESSURE: 148000 0 0 0 0 0 0 0 0 0 PRESSAVG: 148000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148000 0 0 0 0 0 0 0 0 0 TIMING: 148000 CPU: 589.885, 0.00397074/step Wall: 589.885, 0.00397074/step, 0.38825 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 148000 658.9325 1831.5573 2015.0676 98.6521 -14.4153 -1017.4054 167.2131 0.0000 2721.4396 6461.0415 300.5906 3739.6019 6493.0121 298.1923 PRESSURE: 148100 0 0 0 0 0 0 0 0 0 GPRESSURE: 148100 0 0 0 0 0 0 0 0 0 PRESSAVG: 148100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148100 0 0 0 0 0 0 0 0 0 TIMING: 148100 CPU: 590.283, 0.0039858/step Wall: 590.283, 0.0039858/step, 0.389612 hours remaining, 109.511719 MB of memory in use. ENERGY: 148100 634.2272 1867.1806 2044.9718 105.6853 -13.1650 -1029.7395 158.0644 0.0000 2666.3664 6433.5913 294.5076 3767.2249 6466.8226 298.2704 PRESSURE: 148200 0 0 0 0 0 0 0 0 0 GPRESSURE: 148200 0 0 0 0 0 0 0 0 0 PRESSAVG: 148200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148200 0 0 0 0 0 0 0 0 0 TIMING: 148200 CPU: 590.68, 0.00397165/step Wall: 590.68, 0.00397165/step, 0.388118 hours remaining, 109.511719 MB of memory in use. ENERGY: 148200 608.0403 1895.5260 2056.3023 97.8604 -14.6068 -1047.1427 174.7374 0.0000 2709.2606 6479.9777 299.2454 3770.7170 6514.3885 299.3134 LDB: ============= START OF LOAD BALANCING ============== 593.458 LDB: ============== END OF LOAD BALANCING =============== 593.458 LDB: =============== DONE WITH MIGRATION ================ 593.458 PRESSURE: 148300 0 0 0 0 0 0 0 0 0 GPRESSURE: 148300 0 0 0 0 0 0 0 0 0 PRESSAVG: 148300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148300 0 0 0 0 0 0 0 0 0 TIMING: 148300 CPU: 591.081, 0.00400226/step Wall: 591.081, 0.00400226/step, 0.390999 hours remaining, 109.511719 MB of memory in use. ENERGY: 148300 664.3511 1907.5785 2042.0546 104.6114 -15.2301 -1030.7846 162.5781 0.0000 2680.5256 6515.6846 296.0715 3835.1590 6547.6137 301.0199 LDB: ============= START OF LOAD BALANCING ============== 593.856 LDB: ============== END OF LOAD BALANCING =============== 593.856 LDB: =============== DONE WITH MIGRATION ================ 593.856 PRESSURE: 148400 0 0 0 0 0 0 0 0 0 GPRESSURE: 148400 0 0 0 0 0 0 0 0 0 PRESSAVG: 148400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148400 0 0 0 0 0 0 0 0 0 TIMING: 148400 CPU: 591.479, 0.00398224/step Wall: 591.479, 0.00398224/step, 0.388932 hours remaining, 109.511719 MB of memory in use. ENERGY: 148400 640.2181 1856.5890 2066.0378 103.8076 -14.3457 -1061.7061 174.1074 0.0000 2719.4118 6484.1200 300.3666 3764.7082 6518.3985 301.2571 PRESSURE: 148500 0 0 0 0 0 0 0 0 0 GPRESSURE: 148500 0 0 0 0 0 0 0 0 0 PRESSAVG: 148500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148500 0 0 0 0 0 0 0 0 0 TIMING: 148500 CPU: 591.876, 0.003975/step Wall: 591.876, 0.00397499/step, 0.388114 hours remaining, 109.511719 MB of memory in use. ENERGY: 148500 621.5393 1881.9929 2048.5698 117.0524 -15.0746 -1040.2905 164.3484 0.0000 2736.2680 6514.4058 302.2284 3778.1378 6547.0771 300.1694 PRESSURE: 148600 0 0 0 0 0 0 0 0 0 GPRESSURE: 148600 0 0 0 0 0 0 0 0 0 PRESSAVG: 148600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148600 0 0 0 0 0 0 0 0 0 TIMING: 148600 CPU: 592.275, 0.00398199/step Wall: 592.275, 0.003982/step, 0.388687 hours remaining, 109.511719 MB of memory in use. ENERGY: 148600 662.0584 1899.9741 2030.5553 108.1540 -13.8667 -1045.0749 171.8326 0.0000 2719.1358 6532.7685 300.3361 3813.6327 6566.0659 302.5466 PRESSURE: 148700 0 0 0 0 0 0 0 0 0 GPRESSURE: 148700 0 0 0 0 0 0 0 0 0 PRESSAVG: 148700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148700 0 0 0 0 0 0 0 0 0 TIMING: 148700 CPU: 592.672, 0.00397462/step Wall: 592.672, 0.00397462/step, 0.387857 hours remaining, 109.511719 MB of memory in use. ENERGY: 148700 620.3161 1873.8584 2018.1039 108.6682 -14.4298 -1067.0860 161.7862 0.0000 2778.8883 6480.1052 306.9360 3701.2169 6517.3862 301.1693 PRESSURE: 148800 0 0 0 0 0 0 0 0 0 GPRESSURE: 148800 0 0 0 0 0 0 0 0 0 PRESSAVG: 148800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148800 0 0 0 0 0 0 0 0 0 TIMING: 148800 CPU: 593.071, 0.00398623/step Wall: 593.071, 0.00398622/step, 0.388878 hours remaining, 109.511719 MB of memory in use. ENERGY: 148800 681.8448 1908.7667 2022.5922 101.1644 -14.6018 -1050.2377 162.1992 0.0000 2670.0984 6481.8262 294.9198 3811.7278 6517.8366 299.6271 PRESSURE: 148900 0 0 0 0 0 0 0 0 0 GPRESSURE: 148900 0 0 0 0 0 0 0 0 0 PRESSAVG: 148900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 148900 0 0 0 0 0 0 0 0 0 TIMING: 148900 CPU: 593.468, 0.00397502/step Wall: 593.468, 0.00397503/step, 0.387676 hours remaining, 109.511719 MB of memory in use. ENERGY: 148900 655.6897 1928.9556 2021.2887 116.1978 -15.4434 -1034.8290 159.3983 0.0000 2716.7407 6547.9983 300.0716 3831.2576 6580.7722 301.1507 PRESSURE: 149000 0 0 0 0 0 0 0 0 0 GPRESSURE: 149000 0 0 0 0 0 0 0 0 0 PRESSAVG: 149000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149000 0 0 0 0 0 0 0 0 0 TIMING: 149000 CPU: 593.865, 0.00397269/step Wall: 593.865, 0.00397269/step, 0.387337 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 149000 651.9568 1914.8320 2033.9465 90.9191 -14.5677 -1061.4963 172.7258 0.0000 2733.8843 6522.2005 301.9651 3788.3162 6556.9954 300.9093 PRESSURE: 149100 0 0 0 0 0 0 0 0 0 GPRESSURE: 149100 0 0 0 0 0 0 0 0 0 PRESSAVG: 149100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149100 0 0 0 0 0 0 0 0 0 TIMING: 149100 CPU: 594.264, 0.00398778/step Wall: 594.264, 0.00398778/step, 0.388698 hours remaining, 109.511719 MB of memory in use. ENERGY: 149100 646.0036 1909.4652 2010.8379 119.0935 -15.6274 -1039.2218 155.5743 0.0000 2724.1611 6510.2863 300.8912 3786.1252 6542.8264 301.8776 PRESSURE: 149200 0 0 0 0 0 0 0 0 0 GPRESSURE: 149200 0 0 0 0 0 0 0 0 0 PRESSAVG: 149200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149200 0 0 0 0 0 0 0 0 0 TIMING: 149200 CPU: 594.661, 0.00397036/step Wall: 594.661, 0.00397036/step, 0.38689 hours remaining, 109.511719 MB of memory in use. ENERGY: 149200 677.7628 1861.5381 2033.5716 110.9749 -13.7822 -1019.2505 169.4814 0.0000 2712.4070 6532.7031 299.5929 3820.2961 6567.6198 301.4726 PRESSURE: 149300 0 0 0 0 0 0 0 0 0 GPRESSURE: 149300 0 0 0 0 0 0 0 0 0 PRESSAVG: 149300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149300 0 0 0 0 0 0 0 0 0 TIMING: 149300 CPU: 595.06, 0.00398512/step Wall: 595.06, 0.00398512/step, 0.388217 hours remaining, 109.511719 MB of memory in use. ENERGY: 149300 654.5768 1881.4302 2024.8534 95.7986 -14.6563 -1065.0996 167.5767 0.0000 2760.0715 6504.5514 304.8576 3744.4799 6540.2124 300.2577 PRESSURE: 149400 0 0 0 0 0 0 0 0 0 GPRESSURE: 149400 0 0 0 0 0 0 0 0 0 PRESSAVG: 149400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149400 0 0 0 0 0 0 0 0 0 TIMING: 149400 CPU: 595.457, 0.00397264/step Wall: 595.457, 0.00397264/step, 0.386891 hours remaining, 109.511719 MB of memory in use. ENERGY: 149400 645.1617 1864.0880 1997.4631 93.5682 -15.0253 -1021.9184 168.7948 0.0000 2753.9716 6486.1038 304.1838 3732.1322 6522.9590 300.5574 PRESSURE: 149500 0 0 0 0 0 0 0 0 0 GPRESSURE: 149500 0 0 0 0 0 0 0 0 0 PRESSAVG: 149500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149500 0 0 0 0 0 0 0 0 0 TIMING: 149500 CPU: 595.854, 0.00397325/step Wall: 595.854, 0.00397325/step, 0.38684 hours remaining, 109.511719 MB of memory in use. ENERGY: 149500 669.7465 1897.6739 2019.8219 97.4640 -14.2923 -1078.4195 163.0773 0.0000 2728.9155 6483.9872 301.4163 3755.0717 6521.0977 301.2336 PRESSURE: 149600 0 0 0 0 0 0 0 0 0 GPRESSURE: 149600 0 0 0 0 0 0 0 0 0 PRESSAVG: 149600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149600 0 0 0 0 0 0 0 0 0 TIMING: 149600 CPU: 596.253, 0.00398404/step Wall: 596.253, 0.00398404/step, 0.38778 hours remaining, 109.511719 MB of memory in use. ENERGY: 149600 663.2928 1903.9521 1996.9748 108.2796 -14.7863 -1029.4584 173.8434 0.0000 2673.0336 6475.1315 295.2440 3802.0980 6505.6089 300.9907 PRESSURE: 149700 0 0 0 0 0 0 0 0 0 GPRESSURE: 149700 0 0 0 0 0 0 0 0 0 PRESSAVG: 149700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149700 0 0 0 0 0 0 0 0 0 TIMING: 149700 CPU: 596.65, 0.00397303/step Wall: 596.65, 0.00397302/step, 0.386597 hours remaining, 109.511719 MB of memory in use. ENERGY: 149700 652.6120 1909.2731 2009.7166 102.2710 -14.3856 -1019.5056 169.0616 0.0000 2693.6084 6502.6514 297.5165 3809.0431 6537.1192 300.6904 PRESSURE: 149800 0 0 0 0 0 0 0 0 0 GPRESSURE: 149800 0 0 0 0 0 0 0 0 0 PRESSAVG: 149800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149800 0 0 0 0 0 0 0 0 0 TIMING: 149800 CPU: 597.049, 0.00398687/step Wall: 597.049, 0.00398688/step, 0.387835 hours remaining, 109.511719 MB of memory in use. ENERGY: 149800 621.2535 1823.4099 2025.9406 115.9457 -13.3676 -1019.9848 166.6941 0.0000 2742.4421 6462.3335 302.9104 3719.8914 6496.0094 298.0106 PRESSURE: 149900 0 0 0 0 0 0 0 0 0 GPRESSURE: 149900 0 0 0 0 0 0 0 0 0 PRESSAVG: 149900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149900 0 0 0 0 0 0 0 0 0 TIMING: 149900 CPU: 597.446, 0.00397279/step Wall: 597.446, 0.00397279/step, 0.386354 hours remaining, 109.511719 MB of memory in use. ENERGY: 149900 664.2418 1851.5295 2022.6856 105.1785 -13.4804 -1031.8691 167.1213 0.0000 2681.4862 6446.8935 296.1776 3765.4072 6482.1569 298.6378 PRESSURE: 150000 0 0 0 0 0 0 0 0 0 GPRESSURE: 150000 0 0 0 0 0 0 0 0 0 PRESSAVG: 150000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150000 0 0 0 0 0 0 0 0 0 TIMING: 150000 CPU: 597.843, 0.00397206/step Wall: 597.843, 0.00397206/step, 0.386173 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 150000 646.1897 1895.5598 2017.1317 99.8941 -14.1222 -1005.9801 175.4676 0.0000 2655.2706 6469.4114 293.2820 3814.1408 6500.9868 299.1673 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 150000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 150000 WRITING COORDINATES TO RESTART FILE AT STEP 150000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 150000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 150100 0 0 0 0 0 0 0 0 0 GPRESSURE: 150100 0 0 0 0 0 0 0 0 0 PRESSAVG: 150100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150100 0 0 0 0 0 0 0 0 0 TIMING: 150100 CPU: 598.28, 0.00436586/step Wall: 598.28, 0.00436586/step, 0.424337 hours remaining, 109.511719 MB of memory in use. ENERGY: 150100 655.8608 1885.5034 2001.2588 91.2409 -14.5488 -1059.0141 168.4733 0.0000 2692.2679 6421.0423 297.3685 3728.7744 6455.7028 298.1512 PRESSURE: 150200 0 0 0 0 0 0 0 0 0 GPRESSURE: 150200 0 0 0 0 0 0 0 0 0 PRESSAVG: 150200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150200 0 0 0 0 0 0 0 0 0 TIMING: 150200 CPU: 598.677, 0.00397243/step Wall: 598.677, 0.00397243/step, 0.385988 hours remaining, 109.511719 MB of memory in use. ENERGY: 150200 628.1558 1833.8927 2012.4273 108.8960 -14.2229 -1035.2731 166.6191 0.0000 2755.0231 6455.5180 304.3000 3700.4949 6490.9477 296.8364 PRESSURE: 150300 0 0 0 0 0 0 0 0 0 GPRESSURE: 150300 0 0 0 0 0 0 0 0 0 PRESSAVG: 150300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150300 0 0 0 0 0 0 0 0 0 TIMING: 150300 CPU: 599.076, 0.00398773/step Wall: 599.076, 0.00398773/step, 0.387364 hours remaining, 109.511719 MB of memory in use. ENERGY: 150300 640.5046 1887.8233 1992.3668 96.2100 -13.8745 -1039.9779 173.6985 0.0000 2738.2797 6475.0304 302.4506 3736.7507 6507.0807 299.0493 PRESSURE: 150400 0 0 0 0 0 0 0 0 0 GPRESSURE: 150400 0 0 0 0 0 0 0 0 0 PRESSAVG: 150400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150400 0 0 0 0 0 0 0 0 0 TIMING: 150400 CPU: 599.473, 0.00397089/step Wall: 599.473, 0.00397089/step, 0.385618 hours remaining, 109.511719 MB of memory in use. ENERGY: 150400 644.6421 1863.6963 2009.6501 112.8743 -13.6609 -1064.0065 155.8798 0.0000 2732.2991 6441.3744 301.7901 3709.0753 6476.5414 298.1835 PRESSURE: 150500 0 0 0 0 0 0 0 0 0 GPRESSURE: 150500 0 0 0 0 0 0 0 0 0 PRESSAVG: 150500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150500 0 0 0 0 0 0 0 0 0 TIMING: 150500 CPU: 599.87, 0.00397226/step Wall: 599.87, 0.00397226/step, 0.38564 hours remaining, 109.511719 MB of memory in use. ENERGY: 150500 663.7897 1924.7155 2002.2302 94.5859 -14.6072 -1037.5260 175.2320 0.0000 2662.5925 6471.0126 294.0908 3808.4201 6503.5100 297.2125 PRESSURE: 150600 0 0 0 0 0 0 0 0 0 GPRESSURE: 150600 0 0 0 0 0 0 0 0 0 PRESSAVG: 150600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150600 0 0 0 0 0 0 0 0 0 TIMING: 150600 CPU: 600.269, 0.00398671/step Wall: 600.269, 0.00398671/step, 0.386932 hours remaining, 109.511719 MB of memory in use. ENERGY: 150600 640.6165 1899.7719 2020.8961 110.2003 -14.6160 -1024.3433 148.9682 0.0000 2660.9115 6442.4051 293.9051 3781.4936 6474.2251 298.4575 PRESSURE: 150700 0 0 0 0 0 0 0 0 0 GPRESSURE: 150700 0 0 0 0 0 0 0 0 0 PRESSAVG: 150700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150700 0 0 0 0 0 0 0 0 0 TIMING: 150700 CPU: 600.666, 0.00397109/step Wall: 600.666, 0.00397109/step, 0.385306 hours remaining, 109.511719 MB of memory in use. ENERGY: 150700 647.2131 1911.8590 1991.6003 110.1178 -14.4369 -1067.4843 163.3837 0.0000 2682.2490 6424.5018 296.2619 3742.2528 6458.0672 297.4137 PRESSURE: 150800 0 0 0 0 0 0 0 0 0 GPRESSURE: 150800 0 0 0 0 0 0 0 0 0 PRESSAVG: 150800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150800 0 0 0 0 0 0 0 0 0 TIMING: 150800 CPU: 601.065, 0.00398677/step Wall: 601.065, 0.00398677/step, 0.386717 hours remaining, 109.511719 MB of memory in use. ENERGY: 150800 654.6250 1874.4393 2058.6431 108.0154 -14.2972 -1054.2890 160.8664 0.0000 2674.7017 6462.7047 295.4283 3788.0030 6495.5736 298.5884 PRESSURE: 150900 0 0 0 0 0 0 0 0 0 GPRESSURE: 150900 0 0 0 0 0 0 0 0 0 PRESSAVG: 150900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150900 0 0 0 0 0 0 0 0 0 TIMING: 150900 CPU: 601.462, 0.00397416/step Wall: 601.462, 0.00397416/step, 0.385383 hours remaining, 109.511719 MB of memory in use. ENERGY: 150900 693.4164 1858.1810 2010.1698 105.5664 -15.4041 -1033.3233 151.8530 0.0000 2699.5340 6469.9931 298.1710 3770.4592 6502.0864 297.4203 PRESSURE: 151000 0 0 0 0 0 0 0 0 0 GPRESSURE: 151000 0 0 0 0 0 0 0 0 0 PRESSAVG: 151000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151000 0 0 0 0 0 0 0 0 0 TIMING: 151000 CPU: 601.859, 0.00397015/step Wall: 601.859, 0.00397015/step, 0.384884 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 151000 643.8296 1941.5898 2044.2258 109.4753 -15.1811 -1038.6759 161.4445 0.0000 2646.0070 6492.7150 292.2588 3846.7080 6523.7025 298.6603 PRESSURE: 151100 0 0 0 0 0 0 0 0 0 GPRESSURE: 151100 0 0 0 0 0 0 0 0 0 PRESSAVG: 151100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151100 0 0 0 0 0 0 0 0 0 TIMING: 151100 CPU: 602.257, 0.00398394/step Wall: 602.257, 0.00398393/step, 0.386109 hours remaining, 109.511719 MB of memory in use. ENERGY: 151100 633.1709 1905.7810 2053.5546 108.3717 -14.7137 -1035.2577 163.0006 0.0000 2713.6977 6527.6050 299.7355 3813.9073 6558.8119 301.9519 PRESSURE: 151200 0 0 0 0 0 0 0 0 0 GPRESSURE: 151200 0 0 0 0 0 0 0 0 0 PRESSAVG: 151200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151200 0 0 0 0 0 0 0 0 0 TIMING: 151200 CPU: 602.655, 0.00397203/step Wall: 602.655, 0.00397204/step, 0.384847 hours remaining, 109.511719 MB of memory in use. ENERGY: 151200 667.6974 1901.8440 2028.7025 109.7200 -13.8321 -1019.8109 182.0622 0.0000 2688.4728 6544.8560 296.9493 3856.3832 6577.3026 302.9625 PRESSURE: 151300 0 0 0 0 0 0 0 0 0 GPRESSURE: 151300 0 0 0 0 0 0 0 0 0 PRESSAVG: 151300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151300 0 0 0 0 0 0 0 0 0 TIMING: 151300 CPU: 603.053, 0.00398633/step Wall: 603.053, 0.00398633/step, 0.38612 hours remaining, 109.511719 MB of memory in use. ENERGY: 151300 668.5936 1849.2131 2009.0783 105.3528 -13.0750 -1014.6937 171.1786 0.0000 2764.2983 6539.9460 305.3244 3775.6477 6576.3693 302.7453 PRESSURE: 151400 0 0 0 0 0 0 0 0 0 GPRESSURE: 151400 0 0 0 0 0 0 0 0 0 PRESSAVG: 151400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151400 0 0 0 0 0 0 0 0 0 TIMING: 151400 CPU: 603.451, 0.00397582/step Wall: 603.451, 0.00397582/step, 0.384992 hours remaining, 109.511719 MB of memory in use. ENERGY: 151400 658.1679 1907.8060 2006.0046 100.5090 -14.4808 -1053.0826 165.7355 0.0000 2741.7870 6512.4468 302.8380 3770.6598 6544.9009 302.2502 PRESSURE: 151500 0 0 0 0 0 0 0 0 0 GPRESSURE: 151500 0 0 0 0 0 0 0 0 0 PRESSAVG: 151500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151500 0 0 0 0 0 0 0 0 0 TIMING: 151500 CPU: 603.848, 0.00397472/step Wall: 603.848, 0.00397472/step, 0.384775 hours remaining, 109.511719 MB of memory in use. ENERGY: 151500 635.9009 1894.5165 1990.9990 105.1913 -15.1407 -987.5225 148.7046 0.0000 2716.1160 6488.7650 300.0026 3772.6490 6519.1537 300.0568 PRESSURE: 151600 0 0 0 0 0 0 0 0 0 GPRESSURE: 151600 0 0 0 0 0 0 0 0 0 PRESSAVG: 151600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151600 0 0 0 0 0 0 0 0 0 TIMING: 151600 CPU: 604.247, 0.00398481/step Wall: 604.247, 0.00398481/step, 0.385641 hours remaining, 109.511719 MB of memory in use. ENERGY: 151600 632.4272 1856.9667 2036.4810 118.2373 -14.9370 -1029.5138 173.3870 0.0000 2712.8583 6485.9068 299.6428 3773.0485 6519.9310 299.0119 PRESSURE: 151700 0 0 0 0 0 0 0 0 0 GPRESSURE: 151700 0 0 0 0 0 0 0 0 0 PRESSAVG: 151700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151700 0 0 0 0 0 0 0 0 0 TIMING: 151700 CPU: 604.644, 0.00397377/step Wall: 604.644, 0.00397377/step, 0.384462 hours remaining, 109.511719 MB of memory in use. ENERGY: 151700 654.4256 1873.5947 2038.2591 108.1719 -15.2613 -1060.6155 165.2648 0.0000 2713.4918 6477.3313 299.7127 3763.8394 6510.8377 298.6668 PRESSURE: 151800 0 0 0 0 0 0 0 0 0 GPRESSURE: 151800 0 0 0 0 0 0 0 0 0 PRESSAVG: 151800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151800 0 0 0 0 0 0 0 0 0 TIMING: 151800 CPU: 605.043, 0.00398512/step Wall: 605.043, 0.00398512/step, 0.38545 hours remaining, 109.511719 MB of memory in use. ENERGY: 151800 653.5853 1865.7756 2048.0837 95.6476 -15.0967 -1055.2821 151.6597 0.0000 2747.8995 6492.2725 303.5132 3744.3730 6523.1754 299.9725 PRESSURE: 151900 0 0 0 0 0 0 0 0 0 GPRESSURE: 151900 0 0 0 0 0 0 0 0 0 PRESSAVG: 151900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151900 0 0 0 0 0 0 0 0 0 TIMING: 151900 CPU: 605.44, 0.00397459/step Wall: 605.44, 0.00397459/step, 0.384321 hours remaining, 109.511719 MB of memory in use. ENERGY: 151900 649.9745 1934.2482 1998.4493 100.0537 -15.5515 -1069.4095 173.6050 0.0000 2696.9466 6468.3163 297.8853 3771.3697 6499.6017 299.4442 PRESSURE: 152000 0 0 0 0 0 0 0 0 0 GPRESSURE: 152000 0 0 0 0 0 0 0 0 0 PRESSAVG: 152000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152000 0 0 0 0 0 0 0 0 0 TIMING: 152000 CPU: 605.837, 0.00397077/step Wall: 605.837, 0.00397077/step, 0.383841 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 152000 607.7213 1911.6217 2032.8494 98.6480 -14.8859 -1037.9506 163.0363 0.0000 2725.8096 6486.8496 301.0733 3761.0401 6519.2472 300.0364 PRESSURE: 152100 0 0 0 0 0 0 0 0 0 GPRESSURE: 152100 0 0 0 0 0 0 0 0 0 PRESSAVG: 152100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152100 0 0 0 0 0 0 0 0 0 TIMING: 152100 CPU: 606.235, 0.00398276/step Wall: 606.235, 0.00398276/step, 0.38489 hours remaining, 109.511719 MB of memory in use. ENERGY: 152100 662.4511 1850.7695 2052.0787 111.7379 -14.8247 -1013.9436 152.4985 0.0000 2721.1884 6521.9558 300.5628 3800.7674 6556.7149 300.6313 PRESSURE: 152200 0 0 0 0 0 0 0 0 0 GPRESSURE: 152200 0 0 0 0 0 0 0 0 0 PRESSAVG: 152200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152200 0 0 0 0 0 0 0 0 0 TIMING: 152200 CPU: 606.633, 0.00397249/step Wall: 606.633, 0.00397249/step, 0.383787 hours remaining, 109.511719 MB of memory in use. ENERGY: 152200 681.2509 1847.8800 2019.9549 93.5473 -14.9030 -1075.2973 170.3806 0.0000 2795.1650 6517.9785 308.7338 3722.8135 6553.4574 301.0786 LDB: ============= START OF LOAD BALANCING ============== 609.409 LDB: ============== END OF LOAD BALANCING =============== 609.409 LDB: =============== DONE WITH MIGRATION ================ 609.409 PRESSURE: 152300 0 0 0 0 0 0 0 0 0 GPRESSURE: 152300 0 0 0 0 0 0 0 0 0 PRESSAVG: 152300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152300 0 0 0 0 0 0 0 0 0 TIMING: 152300 CPU: 607.031, 0.00398548/step Wall: 607.031, 0.00398548/step, 0.384931 hours remaining, 109.511719 MB of memory in use. ENERGY: 152300 644.9787 1902.7550 2035.4160 98.7583 -14.9330 -1041.0847 165.0614 0.0000 2728.2740 6519.2258 301.3455 3790.9517 6554.1883 301.3988 LDB: ============= START OF LOAD BALANCING ============== 609.807 LDB: ============== END OF LOAD BALANCING =============== 609.807 LDB: =============== DONE WITH MIGRATION ================ 609.807 PRESSURE: 152400 0 0 0 0 0 0 0 0 0 GPRESSURE: 152400 0 0 0 0 0 0 0 0 0 PRESSAVG: 152400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152400 0 0 0 0 0 0 0 0 0 TIMING: 152400 CPU: 607.43, 0.00398296/step Wall: 607.43, 0.00398296/step, 0.384577 hours remaining, 109.511719 MB of memory in use. ENERGY: 152400 650.6193 1933.3391 2019.7815 104.1202 -14.7466 -1052.8035 152.1544 0.0000 2726.0134 6518.4778 301.0958 3792.4644 6554.6261 302.2624 PRESSURE: 152500 0 0 0 0 0 0 0 0 0 GPRESSURE: 152500 0 0 0 0 0 0 0 0 0 PRESSAVG: 152500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152500 0 0 0 0 0 0 0 0 0 TIMING: 152500 CPU: 607.827, 0.00397274/step Wall: 607.827, 0.00397274/step, 0.38348 hours remaining, 109.511719 MB of memory in use. ENERGY: 152500 663.9285 1916.0101 2026.8668 114.5687 -13.0947 -1052.3402 162.1657 0.0000 2715.5759 6533.6807 299.9429 3818.1048 6565.5780 302.6118 PRESSURE: 152600 0 0 0 0 0 0 0 0 0 GPRESSURE: 152600 0 0 0 0 0 0 0 0 0 PRESSAVG: 152600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152600 0 0 0 0 0 0 0 0 0 TIMING: 152600 CPU: 608.225, 0.00398499/step Wall: 608.225, 0.00398499/step, 0.384552 hours remaining, 109.511719 MB of memory in use. ENERGY: 152600 635.0949 1902.4834 2033.8439 97.6650 -13.0094 -1047.7148 164.5406 0.0000 2732.0066 6504.9103 301.7577 3772.9037 6536.6919 303.1487 PRESSURE: 152700 0 0 0 0 0 0 0 0 0 GPRESSURE: 152700 0 0 0 0 0 0 0 0 0 PRESSAVG: 152700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152700 0 0 0 0 0 0 0 0 0 TIMING: 152700 CPU: 608.623, 0.00397268/step Wall: 608.623, 0.00397268/step, 0.383253 hours remaining, 109.511719 MB of memory in use. ENERGY: 152700 658.0858 1814.4471 2027.4245 89.3770 -14.5666 -1013.8847 169.6845 0.0000 2744.6129 6475.1806 303.1501 3730.5676 6509.7605 298.9267 PRESSURE: 152800 0 0 0 0 0 0 0 0 0 GPRESSURE: 152800 0 0 0 0 0 0 0 0 0 PRESSAVG: 152800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152800 0 0 0 0 0 0 0 0 0 TIMING: 152800 CPU: 609.021, 0.00398474/step Wall: 609.021, 0.00398474/step, 0.384306 hours remaining, 109.511719 MB of memory in use. ENERGY: 152800 654.1640 1920.6669 2007.4690 103.7063 -14.5502 -1035.9945 152.7603 0.0000 2710.5105 6498.7324 299.3834 3788.2220 6530.6844 299.6803 PRESSURE: 152900 0 0 0 0 0 0 0 0 0 GPRESSURE: 152900 0 0 0 0 0 0 0 0 0 PRESSAVG: 152900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152900 0 0 0 0 0 0 0 0 0 TIMING: 152900 CPU: 609.418, 0.00397322/step Wall: 609.418, 0.00397322/step, 0.383085 hours remaining, 109.511719 MB of memory in use. ENERGY: 152900 672.2537 1881.0150 2012.6889 89.7784 -14.4216 -1067.8627 160.4583 0.0000 2726.2783 6460.1884 301.1250 3733.9101 6494.9504 299.8021 PRESSURE: 153000 0 0 0 0 0 0 0 0 0 GPRESSURE: 153000 0 0 0 0 0 0 0 0 0 PRESSAVG: 153000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153000 0 0 0 0 0 0 0 0 0 TIMING: 153000 CPU: 609.816, 0.00397182/step Wall: 609.816, 0.00397182/step, 0.382839 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 153000 641.8698 1863.7165 1997.4040 103.1802 -15.4986 -1070.7707 172.8579 0.0000 2758.0881 6450.8473 304.6385 3692.7592 6487.2423 298.1658 PRESSURE: 153100 0 0 0 0 0 0 0 0 0 GPRESSURE: 153100 0 0 0 0 0 0 0 0 0 PRESSAVG: 153100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153100 0 0 0 0 0 0 0 0 0 TIMING: 153100 CPU: 610.214, 0.00398923/step Wall: 610.214, 0.00398923/step, 0.384407 hours remaining, 109.511719 MB of memory in use. ENERGY: 153100 655.2245 1916.1001 2006.6980 107.5918 -14.9407 -1058.5341 171.1133 0.0000 2673.6409 6456.8937 295.3111 3783.2528 6489.7951 298.6234 PRESSURE: 153200 0 0 0 0 0 0 0 0 0 GPRESSURE: 153200 0 0 0 0 0 0 0 0 0 PRESSAVG: 153200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153200 0 0 0 0 0 0 0 0 0 TIMING: 153200 CPU: 610.612, 0.00397229/step Wall: 610.612, 0.00397229/step, 0.382664 hours remaining, 109.511719 MB of memory in use. ENERGY: 153200 668.0105 1894.8763 1995.4996 104.2848 -14.7958 -1056.9828 162.4490 0.0000 2721.0539 6474.3955 300.5480 3753.3416 6506.1006 300.1742 PRESSURE: 153300 0 0 0 0 0 0 0 0 0 GPRESSURE: 153300 0 0 0 0 0 0 0 0 0 PRESSAVG: 153300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153300 0 0 0 0 0 0 0 0 0 TIMING: 153300 CPU: 611.011, 0.00399544/step Wall: 611.011, 0.00399544/step, 0.384783 hours remaining, 109.511719 MB of memory in use. ENERGY: 153300 635.4574 1882.3741 2017.6706 102.2995 -14.4517 -1030.2607 160.7373 0.0000 2765.7691 6519.5955 305.4869 3753.8264 6548.9588 302.2911 PRESSURE: 153400 0 0 0 0 0 0 0 0 0 GPRESSURE: 153400 0 0 0 0 0 0 0 0 0 PRESSAVG: 153400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153400 0 0 0 0 0 0 0 0 0 TIMING: 153400 CPU: 611.409, 0.00397326/step Wall: 611.409, 0.00397326/step, 0.382537 hours remaining, 109.511719 MB of memory in use. ENERGY: 153400 654.3616 1931.7472 2022.3749 110.2097 -15.0513 -1016.0280 173.8904 0.0000 2696.3819 6557.8864 297.8229 3861.5045 6589.8419 304.2987 PRESSURE: 153500 0 0 0 0 0 0 0 0 0 GPRESSURE: 153500 0 0 0 0 0 0 0 0 0 PRESSAVG: 153500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153500 0 0 0 0 0 0 0 0 0 TIMING: 153500 CPU: 611.806, 0.00397643/step Wall: 611.806, 0.00397643/step, 0.382731 hours remaining, 109.511719 MB of memory in use. ENERGY: 153500 643.6883 1872.2300 2008.3839 106.1340 -13.7237 -1003.2173 178.5236 0.0000 2784.7030 6576.7217 307.5782 3792.0187 6608.2094 305.7062 PRESSURE: 153600 0 0 0 0 0 0 0 0 0 GPRESSURE: 153600 0 0 0 0 0 0 0 0 0 PRESSAVG: 153600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153600 0 0 0 0 0 0 0 0 0 TIMING: 153600 CPU: 612.205, 0.00398753/step Wall: 612.205, 0.00398753/step, 0.383689 hours remaining, 109.511719 MB of memory in use. ENERGY: 153600 647.9339 1971.6539 2000.3974 92.9560 -13.9424 -1063.0545 168.8990 0.0000 2746.5985 6551.4417 303.3695 3804.8432 6585.4561 303.1435 PRESSURE: 153700 0 0 0 0 0 0 0 0 0 GPRESSURE: 153700 0 0 0 0 0 0 0 0 0 PRESSAVG: 153700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153700 0 0 0 0 0 0 0 0 0 TIMING: 153700 CPU: 612.603, 0.00397634/step Wall: 612.603, 0.00397634/step, 0.382502 hours remaining, 109.511719 MB of memory in use. ENERGY: 153700 666.4550 1903.8249 2030.0542 115.6179 -15.1202 -1042.8244 170.3677 0.0000 2697.8032 6526.1782 297.9799 3828.3751 6557.5042 303.3194 PRESSURE: 153800 0 0 0 0 0 0 0 0 0 GPRESSURE: 153800 0 0 0 0 0 0 0 0 0 PRESSAVG: 153800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153800 0 0 0 0 0 0 0 0 0 TIMING: 153800 CPU: 613.001, 0.00398718/step Wall: 613.001, 0.00398718/step, 0.383434 hours remaining, 109.511719 MB of memory in use. ENERGY: 153800 677.7561 1928.7647 1995.4648 105.9445 -14.9126 -1036.9068 150.7027 0.0000 2681.8915 6488.7049 296.2224 3806.8134 6521.7156 299.9681 PRESSURE: 153900 0 0 0 0 0 0 0 0 0 GPRESSURE: 153900 0 0 0 0 0 0 0 0 0 PRESSAVG: 153900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153900 0 0 0 0 0 0 0 0 0 TIMING: 153900 CPU: 613.399, 0.00397382/step Wall: 613.399, 0.00397381/step, 0.382038 hours remaining, 109.511719 MB of memory in use. ENERGY: 153900 687.8735 1862.2242 2026.0025 107.0043 -15.1014 -1033.9271 163.8164 0.0000 2722.8242 6520.7166 300.7435 3797.8923 6554.0639 300.4032 PRESSURE: 154000 0 0 0 0 0 0 0 0 0 GPRESSURE: 154000 0 0 0 0 0 0 0 0 0 PRESSAVG: 154000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154000 0 0 0 0 0 0 0 0 0 TIMING: 154000 CPU: 613.796, 0.00397115/step Wall: 613.796, 0.00397116/step, 0.381673 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 154000 639.1786 1901.9297 2021.0845 102.9150 -13.9022 -1029.4929 141.0571 0.0000 2730.8303 6493.6000 301.6278 3762.7698 6525.8362 301.0103 PRESSURE: 154100 0 0 0 0 0 0 0 0 0 GPRESSURE: 154100 0 0 0 0 0 0 0 0 0 PRESSAVG: 154100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154100 0 0 0 0 0 0 0 0 0 TIMING: 154100 CPU: 614.194, 0.0039849/step Wall: 614.194, 0.0039849/step, 0.382882 hours remaining, 109.511719 MB of memory in use. ENERGY: 154100 651.8277 1812.0770 2030.1418 106.1706 -12.4504 -1028.6127 174.8769 0.0000 2782.6615 6516.6923 307.3527 3734.0308 6550.4551 302.0094 PRESSURE: 154200 0 0 0 0 0 0 0 0 0 GPRESSURE: 154200 0 0 0 0 0 0 0 0 0 PRESSAVG: 154200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154200 0 0 0 0 0 0 0 0 0 TIMING: 154200 CPU: 614.592, 0.00397267/step Wall: 614.592, 0.00397267/step, 0.381597 hours remaining, 109.511719 MB of memory in use. ENERGY: 154200 649.6072 1904.2440 2020.7957 109.1831 -15.0222 -1032.5499 160.4289 0.0000 2730.3757 6527.0625 301.5776 3796.6869 6559.5811 302.2489 PRESSURE: 154300 0 0 0 0 0 0 0 0 0 GPRESSURE: 154300 0 0 0 0 0 0 0 0 0 PRESSAVG: 154300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154300 0 0 0 0 0 0 0 0 0 TIMING: 154300 CPU: 614.99, 0.00398059/step Wall: 614.99, 0.00398059/step, 0.382247 hours remaining, 109.511719 MB of memory in use. ENERGY: 154300 653.7387 1904.9118 2039.8117 99.7787 -15.3205 -1023.6843 155.7964 0.0000 2650.1655 6465.1980 292.7182 3815.0325 6496.2643 300.2549 PRESSURE: 154400 0 0 0 0 0 0 0 0 0 GPRESSURE: 154400 0 0 0 0 0 0 0 0 0 PRESSAVG: 154400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154400 0 0 0 0 0 0 0 0 0 TIMING: 154400 CPU: 615.388, 0.00397949/step Wall: 615.388, 0.00397949/step, 0.382031 hours remaining, 109.511719 MB of memory in use. ENERGY: 154400 641.1032 1880.1811 2026.7526 98.6540 -13.6289 -1013.2365 161.0465 0.0000 2709.7055 6490.5774 299.2945 3780.8719 6523.2818 298.8409 PRESSURE: 154500 0 0 0 0 0 0 0 0 0 GPRESSURE: 154500 0 0 0 0 0 0 0 0 0 PRESSAVG: 154500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154500 0 0 0 0 0 0 0 0 0 TIMING: 154500 CPU: 615.785, 0.00397108/step Wall: 615.785, 0.00397107/step, 0.381112 hours remaining, 109.511719 MB of memory in use. ENERGY: 154500 632.4895 1852.8219 2028.8355 111.9179 -14.4723 -1046.8276 166.3335 0.0000 2728.2406 6459.3390 301.3418 3731.0984 6496.4294 297.8747 PRESSURE: 154600 0 0 0 0 0 0 0 0 0 GPRESSURE: 154600 0 0 0 0 0 0 0 0 0 PRESSAVG: 154600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154600 0 0 0 0 0 0 0 0 0 TIMING: 154600 CPU: 616.183, 0.00398525/step Wall: 616.183, 0.00398526/step, 0.382364 hours remaining, 109.511719 MB of memory in use. ENERGY: 154600 628.9908 1845.0987 2022.1763 110.7461 -14.7166 -1046.1599 163.2589 0.0000 2760.0505 6469.4449 304.8553 3709.3944 6505.0070 299.3308 PRESSURE: 154700 0 0 0 0 0 0 0 0 0 GPRESSURE: 154700 0 0 0 0 0 0 0 0 0 PRESSAVG: 154700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154700 0 0 0 0 0 0 0 0 0 TIMING: 154700 CPU: 616.58, 0.00397172/step Wall: 616.58, 0.00397172/step, 0.380954 hours remaining, 109.511719 MB of memory in use. ENERGY: 154700 667.5968 1853.0378 1990.0159 106.5356 -14.7027 -1015.7797 167.1068 0.0000 2715.7797 6469.5901 299.9654 3753.8104 6502.7770 299.7028 PRESSURE: 154800 0 0 0 0 0 0 0 0 0 GPRESSURE: 154800 0 0 0 0 0 0 0 0 0 PRESSAVG: 154800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154800 0 0 0 0 0 0 0 0 0 TIMING: 154800 CPU: 616.978, 0.00397164/step Wall: 616.978, 0.00397164/step, 0.380836 hours remaining, 109.511719 MB of memory in use. ENERGY: 154800 672.8643 1903.2576 2023.5826 122.3907 -14.7420 -1050.2539 160.1747 0.0000 2683.6114 6500.8852 296.4124 3817.2738 6531.2482 298.5913 PRESSURE: 154900 0 0 0 0 0 0 0 0 0 GPRESSURE: 154900 0 0 0 0 0 0 0 0 0 PRESSAVG: 154900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154900 0 0 0 0 0 0 0 0 0 TIMING: 154900 CPU: 617.376, 0.00398712/step Wall: 617.376, 0.00398712/step, 0.38221 hours remaining, 109.511719 MB of memory in use. ENERGY: 154900 691.2503 1903.1498 2005.8988 96.1654 -14.2136 -1058.0857 169.6378 0.0000 2700.7352 6494.5381 298.3037 3793.8029 6527.7840 300.9677 PRESSURE: 155000 0 0 0 0 0 0 0 0 0 GPRESSURE: 155000 0 0 0 0 0 0 0 0 0 PRESSAVG: 155000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155000 0 0 0 0 0 0 0 0 0 TIMING: 155000 CPU: 617.773, 0.00396989/step Wall: 617.773, 0.00396989/step, 0.380448 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 155000 639.7140 1892.3729 2006.4479 110.0800 -14.2768 -1062.2676 160.3785 0.0000 2726.0713 6458.5202 301.1022 3732.4489 6494.3185 299.4942 PRESSURE: 155100 0 0 0 0 0 0 0 0 0 GPRESSURE: 155100 0 0 0 0 0 0 0 0 0 PRESSAVG: 155100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155100 0 0 0 0 0 0 0 0 0 TIMING: 155100 CPU: 618.172, 0.00398375/step Wall: 618.172, 0.00398375/step, 0.381665 hours remaining, 109.511719 MB of memory in use. ENERGY: 155100 663.2083 1914.9577 1997.8431 108.8503 -14.9800 -1030.6718 164.0821 0.0000 2695.8564 6499.1460 297.7648 3803.2897 6532.1592 300.1761 PRESSURE: 155200 0 0 0 0 0 0 0 0 0 GPRESSURE: 155200 0 0 0 0 0 0 0 0 0 PRESSAVG: 155200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155200 0 0 0 0 0 0 0 0 0 TIMING: 155200 CPU: 618.569, 0.00397246/step Wall: 618.569, 0.00397246/step, 0.380474 hours remaining, 109.511719 MB of memory in use. ENERGY: 155200 619.8028 1891.3581 2029.0091 106.5549 -14.9144 -1044.1803 155.2297 0.0000 2722.5092 6465.3690 300.7087 3742.8599 6499.9044 299.7785 PRESSURE: 155300 0 0 0 0 0 0 0 0 0 GPRESSURE: 155300 0 0 0 0 0 0 0 0 0 PRESSAVG: 155300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155300 0 0 0 0 0 0 0 0 0 TIMING: 155300 CPU: 618.966, 0.00397115/step Wall: 618.966, 0.00397115/step, 0.380238 hours remaining, 109.511719 MB of memory in use. ENERGY: 155300 641.4774 1915.4386 2009.5072 110.1987 -14.3888 -1024.2206 161.9902 0.0000 2685.1215 6485.1242 296.5791 3800.0027 6516.4653 299.6165 PRESSURE: 155400 0 0 0 0 0 0 0 0 0 GPRESSURE: 155400 0 0 0 0 0 0 0 0 0 PRESSAVG: 155400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155400 0 0 0 0 0 0 0 0 0 TIMING: 155400 CPU: 619.365, 0.00398611/step Wall: 619.365, 0.00398611/step, 0.381559 hours remaining, 109.511719 MB of memory in use. ENERGY: 155400 641.3569 1917.4795 2025.8361 96.4673 -15.1970 -1051.8210 166.6246 0.0000 2699.5229 6480.2692 298.1698 3780.7463 6516.1557 299.9750 PRESSURE: 155500 0 0 0 0 0 0 0 0 0 GPRESSURE: 155500 0 0 0 0 0 0 0 0 0 PRESSAVG: 155500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155500 0 0 0 0 0 0 0 0 0 TIMING: 155500 CPU: 619.762, 0.00397031/step Wall: 619.762, 0.00397031/step, 0.379937 hours remaining, 109.511719 MB of memory in use. ENERGY: 155500 626.4509 1930.7142 1998.4301 105.5713 -14.9336 -1018.6544 163.6193 0.0000 2657.1578 6448.3556 293.4905 3791.1979 6479.9349 298.1295 PRESSURE: 155600 0 0 0 0 0 0 0 0 0 GPRESSURE: 155600 0 0 0 0 0 0 0 0 0 PRESSAVG: 155600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155600 0 0 0 0 0 0 0 0 0 TIMING: 155600 CPU: 620.16, 0.00398626/step Wall: 620.16, 0.00398626/step, 0.381352 hours remaining, 109.511719 MB of memory in use. ENERGY: 155600 694.3666 1905.6865 2026.2307 100.2621 -14.1668 -1095.9068 166.0701 0.0000 2675.0721 6457.6146 295.4692 3782.5425 6489.5454 297.4248 PRESSURE: 155700 0 0 0 0 0 0 0 0 0 GPRESSURE: 155700 0 0 0 0 0 0 0 0 0 PRESSAVG: 155700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155700 0 0 0 0 0 0 0 0 0 TIMING: 155700 CPU: 620.558, 0.00397489/step Wall: 620.558, 0.00397488/step, 0.380153 hours remaining, 109.511719 MB of memory in use. ENERGY: 155700 662.5607 1878.0221 2011.4407 110.3531 -15.2307 -1043.0428 156.8040 0.0000 2744.4221 6505.3292 303.1291 3760.9072 6539.4327 300.6806 PRESSURE: 155800 0 0 0 0 0 0 0 0 0 GPRESSURE: 155800 0 0 0 0 0 0 0 0 0 PRESSAVG: 155800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155800 0 0 0 0 0 0 0 0 0 TIMING: 155800 CPU: 620.955, 0.00397307/step Wall: 620.955, 0.00397308/step, 0.379871 hours remaining, 109.511719 MB of memory in use. ENERGY: 155800 661.9625 1933.1201 2043.3196 102.8409 -15.7570 -1061.0859 160.6544 0.0000 2698.6812 6523.7358 298.0769 3825.0546 6556.4819 301.4979 PRESSURE: 155900 0 0 0 0 0 0 0 0 0 GPRESSURE: 155900 0 0 0 0 0 0 0 0 0 PRESSAVG: 155900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155900 0 0 0 0 0 0 0 0 0 TIMING: 155900 CPU: 621.354, 0.00398751/step Wall: 621.354, 0.00398751/step, 0.38114 hours remaining, 109.511719 MB of memory in use. ENERGY: 155900 655.3497 1930.8958 2001.8406 109.1898 -14.7417 -1069.3383 178.2285 0.0000 2708.8559 6500.2804 299.2007 3791.4244 6533.7985 301.6829 PRESSURE: 156000 0 0 0 0 0 0 0 0 0 GPRESSURE: 156000 0 0 0 0 0 0 0 0 0 PRESSAVG: 156000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156000 0 0 0 0 0 0 0 0 0 TIMING: 156000 CPU: 621.751, 0.00397147/step Wall: 621.751, 0.00397147/step, 0.379496 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 156000 658.9925 1894.5549 2018.6714 100.6715 -14.5270 -1056.5476 162.9578 0.0000 2753.2459 6518.0193 304.1037 3764.7734 6554.6753 300.2055 PRESSURE: 156100 0 0 0 0 0 0 0 0 0 GPRESSURE: 156100 0 0 0 0 0 0 0 0 0 PRESSAVG: 156100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156100 0 0 0 0 0 0 0 0 0 TIMING: 156100 CPU: 622.149, 0.003985/step Wall: 622.149, 0.003985/step, 0.380678 hours remaining, 109.511719 MB of memory in use. ENERGY: 156100 662.3598 1916.5136 2032.3591 103.4808 -15.0950 -1060.6320 157.6001 0.0000 2704.5549 6501.1412 298.7256 3796.5863 6534.5892 302.9526 PRESSURE: 156200 0 0 0 0 0 0 0 0 0 GPRESSURE: 156200 0 0 0 0 0 0 0 0 0 PRESSAVG: 156200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156200 0 0 0 0 0 0 0 0 0 TIMING: 156200 CPU: 622.546, 0.00396975/step Wall: 622.546, 0.00396975/step, 0.379111 hours remaining, 109.511719 MB of memory in use. ENERGY: 156200 670.5905 1934.5015 2011.7201 101.3555 -15.2856 -1080.2404 155.0970 0.0000 2702.0404 6479.7791 298.4479 3777.7386 6510.3671 299.7794 LDB: ============= START OF LOAD BALANCING ============== 625.321 LDB: ============== END OF LOAD BALANCING =============== 625.321 LDB: =============== DONE WITH MIGRATION ================ 625.321 PRESSURE: 156300 0 0 0 0 0 0 0 0 0 GPRESSURE: 156300 0 0 0 0 0 0 0 0 0 PRESSAVG: 156300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156300 0 0 0 0 0 0 0 0 0 TIMING: 156300 CPU: 622.944, 0.00397338/step Wall: 622.944, 0.00397338/step, 0.379347 hours remaining, 109.511719 MB of memory in use. ENERGY: 156300 647.8968 1918.1837 1988.9274 95.4923 -15.0502 -1042.0299 157.8794 0.0000 2716.4945 6467.7940 300.0444 3751.2995 6500.2216 299.7232 LDB: ============= START OF LOAD BALANCING ============== 625.721 LDB: ============== END OF LOAD BALANCING =============== 625.721 LDB: =============== DONE WITH MIGRATION ================ 625.721 PRESSURE: 156400 0 0 0 0 0 0 0 0 0 GPRESSURE: 156400 0 0 0 0 0 0 0 0 0 PRESSAVG: 156400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156400 0 0 0 0 0 0 0 0 0 TIMING: 156400 CPU: 623.343, 0.00399694/step Wall: 623.343, 0.00399694/step, 0.381486 hours remaining, 109.511719 MB of memory in use. ENERGY: 156400 651.6640 1892.6999 1998.7436 107.9580 -15.2893 -1013.3952 149.0062 0.0000 2689.6422 6461.0294 297.0785 3771.3872 6493.0275 299.1425 PRESSURE: 156500 0 0 0 0 0 0 0 0 0 GPRESSURE: 156500 0 0 0 0 0 0 0 0 0 PRESSAVG: 156500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156500 0 0 0 0 0 0 0 0 0 TIMING: 156500 CPU: 623.741, 0.00397135/step Wall: 623.741, 0.00397135/step, 0.378933 hours remaining, 109.511719 MB of memory in use. ENERGY: 156500 648.2346 1929.5347 2008.6572 106.1392 -15.2592 -1054.3710 163.4928 0.0000 2688.9341 6475.3624 297.0003 3786.4283 6506.9013 298.0383 PRESSURE: 156600 0 0 0 0 0 0 0 0 0 GPRESSURE: 156600 0 0 0 0 0 0 0 0 0 PRESSAVG: 156600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156600 0 0 0 0 0 0 0 0 0 TIMING: 156600 CPU: 624.139, 0.00398368/step Wall: 624.139, 0.00398368/step, 0.379999 hours remaining, 109.511719 MB of memory in use. ENERGY: 156600 627.7780 1913.5012 2010.1981 111.7371 -14.7497 -1007.7257 182.8579 0.0000 2634.7090 6458.3059 291.0109 3823.5969 6492.4963 299.7042 PRESSURE: 156700 0 0 0 0 0 0 0 0 0 GPRESSURE: 156700 0 0 0 0 0 0 0 0 0 PRESSAVG: 156700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156700 0 0 0 0 0 0 0 0 0 TIMING: 156700 CPU: 624.536, 0.00397316/step Wall: 624.536, 0.00397315/step, 0.378884 hours remaining, 109.511719 MB of memory in use. ENERGY: 156700 632.2869 1895.6851 1992.9607 113.5783 -14.9413 -1032.5260 173.0543 0.0000 2699.7687 6459.8667 298.1970 3760.0980 6494.2073 296.3495 PRESSURE: 156800 0 0 0 0 0 0 0 0 0 GPRESSURE: 156800 0 0 0 0 0 0 0 0 0 PRESSAVG: 156800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156800 0 0 0 0 0 0 0 0 0 TIMING: 156800 CPU: 624.934, 0.0039735/step Wall: 624.934, 0.00397351/step, 0.378808 hours remaining, 109.511719 MB of memory in use. ENERGY: 156800 643.0062 1862.7370 1989.2857 108.8847 -15.4535 -1021.1806 170.8118 0.0000 2714.2229 6452.3142 299.7935 3738.0913 6483.6170 298.9667 PRESSURE: 156900 0 0 0 0 0 0 0 0 0 GPRESSURE: 156900 0 0 0 0 0 0 0 0 0 PRESSAVG: 156900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156900 0 0 0 0 0 0 0 0 0 TIMING: 156900 CPU: 625.332, 0.00398689/step Wall: 625.332, 0.00398689/step, 0.379973 hours remaining, 109.511719 MB of memory in use. ENERGY: 156900 690.5027 1940.1101 2000.9191 104.1713 -15.8450 -1061.1303 149.8797 0.0000 2667.7475 6476.3551 294.6601 3808.6076 6507.6571 299.5174 PRESSURE: 157000 0 0 0 0 0 0 0 0 0 GPRESSURE: 157000 0 0 0 0 0 0 0 0 0 PRESSAVG: 157000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157000 0 0 0 0 0 0 0 0 0 TIMING: 157000 CPU: 625.73, 0.00397295/step Wall: 625.73, 0.00397295/step, 0.378534 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 157000 632.9153 1879.8518 2027.2872 108.8573 -15.6293 -1046.0738 171.2981 0.0000 2696.7978 6455.3045 297.8688 3758.5067 6491.8837 299.7458 PRESSURE: 157100 0 0 0 0 0 0 0 0 0 GPRESSURE: 157100 0 0 0 0 0 0 0 0 0 PRESSAVG: 157100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157100 0 0 0 0 0 0 0 0 0 TIMING: 157100 CPU: 626.128, 0.00398861/step Wall: 626.128, 0.00398861/step, 0.379915 hours remaining, 109.511719 MB of memory in use. ENERGY: 157100 626.5447 1917.8550 2013.7133 103.0349 -14.8578 -1039.3774 147.3016 0.0000 2707.2494 6461.4638 299.0232 3754.2144 6493.4316 299.5156 PRESSURE: 157200 0 0 0 0 0 0 0 0 0 GPRESSURE: 157200 0 0 0 0 0 0 0 0 0 PRESSAVG: 157200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157200 0 0 0 0 0 0 0 0 0 TIMING: 157200 CPU: 626.526, 0.0039724/step Wall: 626.526, 0.0039724/step, 0.378261 hours remaining, 109.511719 MB of memory in use. ENERGY: 157200 643.5720 1844.2610 1976.4838 94.9322 -15.1097 -1010.4359 154.9968 0.0000 2760.8859 6449.5862 304.9475 3688.7003 6484.5609 300.2528 PRESSURE: 157300 0 0 0 0 0 0 0 0 0 GPRESSURE: 157300 0 0 0 0 0 0 0 0 0 PRESSAVG: 157300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157300 0 0 0 0 0 0 0 0 0 TIMING: 157300 CPU: 626.923, 0.00397318/step Wall: 626.923, 0.00397318/step, 0.378225 hours remaining, 109.511719 MB of memory in use. ENERGY: 157300 660.2714 1874.5392 2022.5697 111.9229 -15.1940 -1049.7386 169.2492 0.0000 2664.8221 6438.4418 294.3370 3773.6197 6471.5376 297.4224 PRESSURE: 157400 0 0 0 0 0 0 0 0 0 GPRESSURE: 157400 0 0 0 0 0 0 0 0 0 PRESSAVG: 157400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157400 0 0 0 0 0 0 0 0 0 TIMING: 157400 CPU: 627.322, 0.00398691/step Wall: 627.322, 0.00398691/step, 0.379421 hours remaining, 109.511719 MB of memory in use. ENERGY: 157400 651.0271 1877.1497 2017.5693 111.1266 -15.8285 -1050.1150 160.5027 0.0000 2727.8582 6479.2901 301.2995 3751.4320 6514.5775 298.2534 PRESSURE: 157500 0 0 0 0 0 0 0 0 0 GPRESSURE: 157500 0 0 0 0 0 0 0 0 0 PRESSAVG: 157500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157500 0 0 0 0 0 0 0 0 0 TIMING: 157500 CPU: 627.719, 0.00397182/step Wall: 627.719, 0.00397182/step, 0.377875 hours remaining, 109.511719 MB of memory in use. ENERGY: 157500 677.0898 1881.6451 1999.7802 106.3855 -14.0311 -1027.3103 159.6287 0.0000 2659.1284 6442.3165 293.7081 3783.1880 6474.3038 299.9604 PRESSURE: 157600 0 0 0 0 0 0 0 0 0 GPRESSURE: 157600 0 0 0 0 0 0 0 0 0 PRESSAVG: 157600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157600 0 0 0 0 0 0 0 0 0 TIMING: 157600 CPU: 628.117, 0.00398572/step Wall: 628.117, 0.00398571/step, 0.379085 hours remaining, 109.511719 MB of memory in use. ENERGY: 157600 666.2872 1923.2946 2003.3385 94.2652 -14.2000 -1079.8143 169.3630 0.0000 2662.2036 6424.7378 294.0478 3762.5341 6455.6190 296.5131 PRESSURE: 157700 0 0 0 0 0 0 0 0 0 GPRESSURE: 157700 0 0 0 0 0 0 0 0 0 PRESSAVG: 157700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157700 0 0 0 0 0 0 0 0 0 TIMING: 157700 CPU: 628.515, 0.00397323/step Wall: 628.515, 0.00397324/step, 0.377789 hours remaining, 109.511719 MB of memory in use. ENERGY: 157700 642.0845 1872.7048 2021.3113 102.2731 -14.4447 -1026.9613 167.1340 0.0000 2672.3043 6436.4060 295.1635 3764.1017 6469.6150 297.3794 PRESSURE: 157800 0 0 0 0 0 0 0 0 0 GPRESSURE: 157800 0 0 0 0 0 0 0 0 0 PRESSAVG: 157800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157800 0 0 0 0 0 0 0 0 0 TIMING: 157800 CPU: 628.912, 0.00397133/step Wall: 628.912, 0.00397133/step, 0.377497 hours remaining, 109.511719 MB of memory in use. ENERGY: 157800 621.9979 1895.4273 2011.7889 105.3423 -14.6437 -1045.4305 154.6414 0.0000 2686.8118 6415.9354 296.7658 3729.1236 6450.1977 297.2329 PRESSURE: 157900 0 0 0 0 0 0 0 0 0 GPRESSURE: 157900 0 0 0 0 0 0 0 0 0 PRESSAVG: 157900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157900 0 0 0 0 0 0 0 0 0 TIMING: 157900 CPU: 629.311, 0.0039884/step Wall: 629.311, 0.0039884/step, 0.379009 hours remaining, 109.511719 MB of memory in use. ENERGY: 157900 659.1349 1885.6644 1996.6306 110.5129 -15.4930 -1079.9210 165.2497 0.0000 2691.4503 6413.2288 297.2782 3721.7785 6448.3892 296.2347 PRESSURE: 158000 0 0 0 0 0 0 0 0 0 GPRESSURE: 158000 0 0 0 0 0 0 0 0 0 PRESSAVG: 158000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158000 0 0 0 0 0 0 0 0 0 TIMING: 158000 CPU: 629.708, 0.0039707/step Wall: 629.708, 0.0039707/step, 0.377216 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 158000 637.2897 1894.4226 2003.3027 102.8684 -14.0794 -1026.4270 157.6150 0.0000 2651.8808 6406.8728 292.9076 3754.9919 6439.3602 296.2601 PRESSURE: 158100 0 0 0 0 0 0 0 0 0 GPRESSURE: 158100 0 0 0 0 0 0 0 0 0 PRESSAVG: 158100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158100 0 0 0 0 0 0 0 0 0 TIMING: 158100 CPU: 630.106, 0.00398617/step Wall: 630.106, 0.00398617/step, 0.378575 hours remaining, 109.511719 MB of memory in use. ENERGY: 158100 645.0725 1905.4971 2024.0075 112.6326 -15.2639 -1083.7708 164.7073 0.0000 2629.1499 6382.0322 290.3969 3752.8822 6414.2746 296.3540 PRESSURE: 158200 0 0 0 0 0 0 0 0 0 GPRESSURE: 158200 0 0 0 0 0 0 0 0 0 PRESSAVG: 158200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158200 0 0 0 0 0 0 0 0 0 TIMING: 158200 CPU: 630.504, 0.00397235/step Wall: 630.504, 0.00397235/step, 0.377153 hours remaining, 109.511719 MB of memory in use. ENERGY: 158200 622.8343 1939.3607 1995.9708 105.4156 -13.8863 -1055.2513 152.2350 0.0000 2660.5090 6407.1878 293.8606 3746.6788 6440.7777 295.4931 PRESSURE: 158300 0 0 0 0 0 0 0 0 0 GPRESSURE: 158300 0 0 0 0 0 0 0 0 0 PRESSAVG: 158300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158300 0 0 0 0 0 0 0 0 0 TIMING: 158300 CPU: 630.901, 0.00397342/step Wall: 630.901, 0.00397342/step, 0.377144 hours remaining, 109.511719 MB of memory in use. ENERGY: 158300 666.1062 1828.6941 1989.0046 99.9217 -15.0833 -1088.0910 160.4383 0.0000 2762.8404 6403.8310 305.1634 3640.9906 6439.1682 296.0313 PRESSURE: 158400 0 0 0 0 0 0 0 0 0 GPRESSURE: 158400 0 0 0 0 0 0 0 0 0 PRESSAVG: 158400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158400 0 0 0 0 0 0 0 0 0 TIMING: 158400 CPU: 631.302, 0.00400981/step Wall: 631.302, 0.00400981/step, 0.380486 hours remaining, 109.511719 MB of memory in use. ENERGY: 158400 671.9185 1873.7669 1995.0502 100.8276 -14.0956 -1068.2587 164.3156 0.0000 2709.2253 6432.7500 299.2415 3723.5247 6466.0289 297.1739 PRESSURE: 158500 0 0 0 0 0 0 0 0 0 GPRESSURE: 158500 0 0 0 0 0 0 0 0 0 PRESSAVG: 158500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158500 0 0 0 0 0 0 0 0 0 TIMING: 158500 CPU: 631.699, 0.00397256/step Wall: 631.699, 0.00397256/step, 0.376841 hours remaining, 109.511719 MB of memory in use. ENERGY: 158500 643.0812 1856.3404 2009.1412 95.9141 -14.3700 -1062.2359 155.5501 0.0000 2734.8454 6418.2665 302.0713 3683.4211 6453.2551 295.4024 PRESSURE: 158600 0 0 0 0 0 0 0 0 0 GPRESSURE: 158600 0 0 0 0 0 0 0 0 0 PRESSAVG: 158600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158600 0 0 0 0 0 0 0 0 0 TIMING: 158600 CPU: 632.097, 0.00398107/step Wall: 632.097, 0.00398107/step, 0.377538 hours remaining, 109.511719 MB of memory in use. ENERGY: 158600 676.6113 1862.6694 2024.3731 109.5811 -15.2124 -1054.4725 161.8506 0.0000 2653.5508 6418.9513 293.0921 3765.4005 6448.7226 297.7126 PRESSURE: 158700 0 0 0 0 0 0 0 0 0 GPRESSURE: 158700 0 0 0 0 0 0 0 0 0 PRESSAVG: 158700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158700 0 0 0 0 0 0 0 0 0 TIMING: 158700 CPU: 632.495, 0.00397276/step Wall: 632.495, 0.00397276/step, 0.37664 hours remaining, 109.511719 MB of memory in use. ENERGY: 158700 637.1177 1921.2061 2009.2463 99.0286 -16.4727 -1039.4766 150.6343 0.0000 2643.8395 6405.1233 292.0194 3761.2838 6435.0271 296.5744 PRESSURE: 158800 0 0 0 0 0 0 0 0 0 GPRESSURE: 158800 0 0 0 0 0 0 0 0 0 PRESSAVG: 158800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158800 0 0 0 0 0 0 0 0 0 TIMING: 158800 CPU: 632.892, 0.00397313/step Wall: 632.892, 0.00397313/step, 0.376565 hours remaining, 109.511719 MB of memory in use. ENERGY: 158800 633.7738 1921.3237 1988.7843 97.7615 -15.3569 -1045.1957 149.8851 0.0000 2702.3398 6433.3155 298.4810 3730.9757 6466.5631 296.8924 PRESSURE: 158900 0 0 0 0 0 0 0 0 0 GPRESSURE: 158900 0 0 0 0 0 0 0 0 0 PRESSAVG: 158900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158900 0 0 0 0 0 0 0 0 0 TIMING: 158900 CPU: 633.29, 0.00398118/step Wall: 633.29, 0.00398118/step, 0.377217 hours remaining, 109.511719 MB of memory in use. ENERGY: 158900 621.7997 1887.1449 2010.5344 99.7005 -14.4696 -1036.3153 150.1557 0.0000 2688.0035 6406.5539 296.8975 3718.5504 6440.0309 296.9343 PRESSURE: 159000 0 0 0 0 0 0 0 0 0 GPRESSURE: 159000 0 0 0 0 0 0 0 0 0 PRESSAVG: 159000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159000 0 0 0 0 0 0 0 0 0 TIMING: 159000 CPU: 633.687, 0.00397229/step Wall: 633.687, 0.00397229/step, 0.376264 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 159000 646.4121 1891.6849 2014.2077 94.0698 -14.9262 -1067.2232 168.1506 0.0000 2668.5386 6400.9143 294.7475 3732.3758 6433.8130 295.4699 PRESSURE: 159100 0 0 0 0 0 0 0 0 0 GPRESSURE: 159100 0 0 0 0 0 0 0 0 0 PRESSAVG: 159100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159100 0 0 0 0 0 0 0 0 0 TIMING: 159100 CPU: 634.085, 0.00398081/step Wall: 634.085, 0.00398081/step, 0.376961 hours remaining, 109.511719 MB of memory in use. ENERGY: 159100 636.2796 1911.7919 2013.2199 108.7460 -15.9197 -1073.6427 152.6024 0.0000 2718.1570 6451.2344 300.2280 3733.0774 6482.9738 295.0007 PRESSURE: 159200 0 0 0 0 0 0 0 0 0 GPRESSURE: 159200 0 0 0 0 0 0 0 0 0 PRESSAVG: 159200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159200 0 0 0 0 0 0 0 0 0 TIMING: 159200 CPU: 634.483, 0.00397109/step Wall: 634.483, 0.00397109/step, 0.37593 hours remaining, 109.511719 MB of memory in use. ENERGY: 159200 605.2587 1887.3524 2007.9327 112.8629 -15.1962 -1034.7191 165.9772 0.0000 2678.5062 6407.9746 295.8485 3729.4685 6440.3514 297.1042 PRESSURE: 159300 0 0 0 0 0 0 0 0 0 GPRESSURE: 159300 0 0 0 0 0 0 0 0 0 PRESSAVG: 159300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159300 0 0 0 0 0 0 0 0 0 TIMING: 159300 CPU: 634.88, 0.0039719/step Wall: 634.88, 0.0039719/step, 0.375896 hours remaining, 109.511719 MB of memory in use. ENERGY: 159300 661.7520 1859.0745 1981.7590 102.7659 -14.9491 -1082.9117 169.2568 0.0000 2706.2404 6382.9878 298.9118 3676.7474 6417.5552 295.7600 PRESSURE: 159400 0 0 0 0 0 0 0 0 0 GPRESSURE: 159400 0 0 0 0 0 0 0 0 0 PRESSAVG: 159400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159400 0 0 0 0 0 0 0 0 0 TIMING: 159400 CPU: 635.278, 0.00398159/step Wall: 635.278, 0.00398159/step, 0.376703 hours remaining, 109.511719 MB of memory in use. ENERGY: 159400 616.7587 1897.3837 2027.5429 118.2796 -14.5028 -1041.2010 162.0170 0.0000 2622.9778 6389.2558 289.7152 3766.2780 6420.0578 294.9660 PRESSURE: 159500 0 0 0 0 0 0 0 0 0 GPRESSURE: 159500 0 0 0 0 0 0 0 0 0 PRESSAVG: 159500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159500 0 0 0 0 0 0 0 0 0 TIMING: 159500 CPU: 635.675, 0.00397409/step Wall: 635.675, 0.00397409/step, 0.375883 hours remaining, 109.511719 MB of memory in use. ENERGY: 159500 657.0271 1887.7164 1999.7350 86.3550 -14.5251 -1042.7148 163.2905 0.0000 2648.7739 6385.6582 292.5645 3736.8842 6413.5217 294.5271 PRESSURE: 159600 0 0 0 0 0 0 0 0 0 GPRESSURE: 159600 0 0 0 0 0 0 0 0 0 PRESSAVG: 159600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159600 0 0 0 0 0 0 0 0 0 TIMING: 159600 CPU: 636.073, 0.00397943/step Wall: 636.073, 0.00397943/step, 0.376277 hours remaining, 109.511719 MB of memory in use. ENERGY: 159600 622.3982 1884.2635 2022.6770 111.2811 -14.5809 -1040.0614 169.6745 0.0000 2680.5310 6436.1830 296.0721 3755.6520 6467.8781 296.3791 PRESSURE: 159700 0 0 0 0 0 0 0 0 0 GPRESSURE: 159700 0 0 0 0 0 0 0 0 0 PRESSAVG: 159700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159700 0 0 0 0 0 0 0 0 0 TIMING: 159700 CPU: 636.47, 0.00397181/step Wall: 636.47, 0.00397181/step, 0.375446 hours remaining, 109.511719 MB of memory in use. ENERGY: 159700 666.5810 1849.6888 2030.1838 105.2981 -14.9557 -1063.6536 157.1122 0.0000 2703.5810 6433.8357 298.6181 3730.2547 6466.7915 295.9398 PRESSURE: 159800 0 0 0 0 0 0 0 0 0 GPRESSURE: 159800 0 0 0 0 0 0 0 0 0 PRESSAVG: 159800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159800 0 0 0 0 0 0 0 0 0 TIMING: 159800 CPU: 636.868, 0.00397177/step Wall: 636.868, 0.00397177/step, 0.375332 hours remaining, 109.511719 MB of memory in use. ENERGY: 159800 659.9339 1871.5691 2019.8657 90.6804 -14.8259 -1060.1945 155.5815 0.0000 2696.0300 6418.6402 297.7840 3722.6102 6453.8957 297.3457 PRESSURE: 159900 0 0 0 0 0 0 0 0 0 GPRESSURE: 159900 0 0 0 0 0 0 0 0 0 PRESSAVG: 159900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159900 0 0 0 0 0 0 0 0 0 TIMING: 159900 CPU: 637.266, 0.00398139/step Wall: 637.266, 0.00398139/step, 0.376131 hours remaining, 109.511719 MB of memory in use. ENERGY: 159900 642.8757 1928.6093 2022.6725 96.8278 -15.1266 -1045.5804 157.3619 0.0000 2587.0253 6374.6655 285.7442 3787.6402 6406.1856 295.1644 PRESSURE: 160000 0 0 0 0 0 0 0 0 0 GPRESSURE: 160000 0 0 0 0 0 0 0 0 0 PRESSAVG: 160000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160000 0 0 0 0 0 0 0 0 0 TIMING: 160000 CPU: 637.663, 0.00397496/step Wall: 637.663, 0.00397496/step, 0.375413 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 160000 648.6970 1872.0134 1994.2521 92.5326 -15.1187 -1021.0457 148.6238 0.0000 2681.6449 6401.5993 296.1952 3719.9544 6436.4164 294.9276 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 160000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 160000 WRITING COORDINATES TO RESTART FILE AT STEP 160000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 160000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 160100 0 0 0 0 0 0 0 0 0 GPRESSURE: 160100 0 0 0 0 0 0 0 0 0 PRESSAVG: 160100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160100 0 0 0 0 0 0 0 0 0 TIMING: 160100 CPU: 638.144, 0.00480772/step Wall: 638.144, 0.00480772/step, 0.453929 hours remaining, 109.511719 MB of memory in use. ENERGY: 160100 653.4821 1937.6108 2030.7797 108.6046 -12.6024 -1057.9375 167.2173 0.0000 2600.6782 6427.8329 287.2522 3827.1546 6459.1306 296.8049 PRESSURE: 160200 0 0 0 0 0 0 0 0 0 GPRESSURE: 160200 0 0 0 0 0 0 0 0 0 PRESSAVG: 160200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160200 0 0 0 0 0 0 0 0 0 TIMING: 160200 CPU: 638.541, 0.00397163/step Wall: 638.541, 0.00397163/step, 0.374878 hours remaining, 109.511719 MB of memory in use. ENERGY: 160200 672.9268 1895.4796 2020.0312 99.4950 -14.4144 -1081.6133 164.7255 0.0000 2700.4543 6457.0847 298.2727 3756.6304 6488.9640 296.5366 LDB: ============= START OF LOAD BALANCING ============== 641.316 LDB: ============== END OF LOAD BALANCING =============== 641.316 LDB: =============== DONE WITH MIGRATION ================ 641.316 PRESSURE: 160300 0 0 0 0 0 0 0 0 0 GPRESSURE: 160300 0 0 0 0 0 0 0 0 0 PRESSAVG: 160300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160300 0 0 0 0 0 0 0 0 0 TIMING: 160300 CPU: 638.939, 0.00397373/step Wall: 638.939, 0.00397373/step, 0.374966 hours remaining, 109.511719 MB of memory in use. ENERGY: 160300 674.0268 1873.1971 2015.7005 104.6020 -14.8591 -1060.3305 173.3506 0.0000 2714.3845 6480.0719 299.8113 3765.6874 6510.8890 298.4781 LDB: ============= START OF LOAD BALANCING ============== 641.715 LDB: ============== END OF LOAD BALANCING =============== 641.715 LDB: =============== DONE WITH MIGRATION ================ 641.715 PRESSURE: 160400 0 0 0 0 0 0 0 0 0 GPRESSURE: 160400 0 0 0 0 0 0 0 0 0 PRESSAVG: 160400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160400 0 0 0 0 0 0 0 0 0 TIMING: 160400 CPU: 639.338, 0.00399339/step Wall: 639.338, 0.00399339/step, 0.37671 hours remaining, 109.511719 MB of memory in use. ENERGY: 160400 634.2798 1922.3834 2008.4022 94.8022 -14.1980 -1020.8446 159.6752 0.0000 2659.0669 6443.5670 293.7013 3784.5001 6474.7905 298.0205 PRESSURE: 160500 0 0 0 0 0 0 0 0 0 GPRESSURE: 160500 0 0 0 0 0 0 0 0 0 PRESSAVG: 160500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160500 0 0 0 0 0 0 0 0 0 TIMING: 160500 CPU: 639.735, 0.00397074/step Wall: 639.735, 0.00397074/step, 0.374463 hours remaining, 109.511719 MB of memory in use. ENERGY: 160500 648.1590 1890.1895 1992.7960 113.4946 -15.5094 -1087.3881 155.9001 0.0000 2755.3532 6452.9948 304.3364 3697.6416 6488.6258 298.1140 PRESSURE: 160600 0 0 0 0 0 0 0 0 0 GPRESSURE: 160600 0 0 0 0 0 0 0 0 0 PRESSAVG: 160600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160600 0 0 0 0 0 0 0 0 0 TIMING: 160600 CPU: 640.133, 0.00398266/step Wall: 640.133, 0.00398266/step, 0.375476 hours remaining, 109.511719 MB of memory in use. ENERGY: 160600 682.3854 1887.1411 2036.4646 97.5449 -14.6742 -1059.7216 162.7459 0.0000 2627.8392 6419.7253 290.2522 3791.8861 6451.0883 296.8637 PRESSURE: 160700 0 0 0 0 0 0 0 0 0 GPRESSURE: 160700 0 0 0 0 0 0 0 0 0 PRESSAVG: 160700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160700 0 0 0 0 0 0 0 0 0 TIMING: 160700 CPU: 640.531, 0.00397352/step Wall: 640.531, 0.00397352/step, 0.374504 hours remaining, 109.511719 MB of memory in use. ENERGY: 160700 651.5937 1881.0589 2005.5403 109.9456 -14.7118 -1083.1696 168.2832 0.0000 2681.7526 6400.2929 296.2070 3718.5403 6433.1184 297.2896 PRESSURE: 160800 0 0 0 0 0 0 0 0 0 GPRESSURE: 160800 0 0 0 0 0 0 0 0 0 PRESSAVG: 160800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160800 0 0 0 0 0 0 0 0 0 TIMING: 160800 CPU: 640.928, 0.00397256/step Wall: 640.928, 0.00397256/step, 0.374303 hours remaining, 109.511719 MB of memory in use. ENERGY: 160800 648.9455 1873.0026 2006.8589 104.3349 -15.2486 -1022.3933 160.6420 0.0000 2649.6094 6405.7514 292.6567 3756.1420 6436.6895 295.0098 PRESSURE: 160900 0 0 0 0 0 0 0 0 0 GPRESSURE: 160900 0 0 0 0 0 0 0 0 0 PRESSAVG: 160900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160900 0 0 0 0 0 0 0 0 0 TIMING: 160900 CPU: 641.326, 0.0039843/step Wall: 641.326, 0.0039843/step, 0.375299 hours remaining, 109.511719 MB of memory in use. ENERGY: 160900 654.6953 1879.0954 2001.4121 108.8623 -14.7670 -1071.3000 162.6447 0.0000 2663.8016 6384.4443 294.2243 3720.6428 6416.9914 295.9693 PRESSURE: 161000 0 0 0 0 0 0 0 0 0 GPRESSURE: 161000 0 0 0 0 0 0 0 0 0 PRESSAVG: 161000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161000 0 0 0 0 0 0 0 0 0 TIMING: 161000 CPU: 641.723, 0.00397225/step Wall: 641.723, 0.00397225/step, 0.374053 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 161000 662.2979 1843.2468 1997.2838 100.0539 -13.9896 -1054.4308 159.9087 0.0000 2702.1577 6396.5285 298.4608 3694.3707 6428.5829 294.5459 PRESSURE: 161100 0 0 0 0 0 0 0 0 0 GPRESSURE: 161100 0 0 0 0 0 0 0 0 0 PRESSAVG: 161100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161100 0 0 0 0 0 0 0 0 0 TIMING: 161100 CPU: 642.122, 0.00398442/step Wall: 642.122, 0.00398441/step, 0.375088 hours remaining, 109.511719 MB of memory in use. ENERGY: 161100 664.5015 1891.5848 2019.8669 98.1943 -15.9142 -1084.6437 168.3115 0.0000 2645.0001 6386.9012 292.1476 3741.9011 6417.3881 295.6517 PRESSURE: 161200 0 0 0 0 0 0 0 0 0 GPRESSURE: 161200 0 0 0 0 0 0 0 0 0 PRESSAVG: 161200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161200 0 0 0 0 0 0 0 0 0 TIMING: 161200 CPU: 642.519, 0.00397313/step Wall: 642.519, 0.00397313/step, 0.373916 hours remaining, 109.511719 MB of memory in use. ENERGY: 161200 673.2902 1889.4605 1994.4539 114.9621 -15.2684 -1057.3519 170.8209 0.0000 2660.2753 6430.6426 293.8348 3770.3673 6461.9280 296.4567 PRESSURE: 161300 0 0 0 0 0 0 0 0 0 GPRESSURE: 161300 0 0 0 0 0 0 0 0 0 PRESSAVG: 161300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161300 0 0 0 0 0 0 0 0 0 TIMING: 161300 CPU: 642.916, 0.00397087/step Wall: 642.916, 0.00397088/step, 0.373594 hours remaining, 109.511719 MB of memory in use. ENERGY: 161300 669.1918 1884.9594 2011.6895 105.1233 -14.9658 -1070.3293 153.4926 0.0000 2706.3991 6445.5606 298.9293 3739.1615 6481.5805 297.9078 PRESSURE: 161400 0 0 0 0 0 0 0 0 0 GPRESSURE: 161400 0 0 0 0 0 0 0 0 0 PRESSAVG: 161400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161400 0 0 0 0 0 0 0 0 0 TIMING: 161400 CPU: 643.315, 0.00398624/step Wall: 643.315, 0.00398624/step, 0.374928 hours remaining, 109.511719 MB of memory in use. ENERGY: 161400 685.7238 1929.8491 2017.6033 102.1883 -14.8523 -1085.8030 159.4882 0.0000 2679.9222 6474.1197 296.0049 3794.1975 6504.6241 298.3639 PRESSURE: 161500 0 0 0 0 0 0 0 0 0 GPRESSURE: 161500 0 0 0 0 0 0 0 0 0 PRESSAVG: 161500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161500 0 0 0 0 0 0 0 0 0 TIMING: 161500 CPU: 643.712, 0.00397097/step Wall: 643.712, 0.00397097/step, 0.373382 hours remaining, 109.511719 MB of memory in use. ENERGY: 161500 667.2139 1831.3984 2035.6770 107.3595 -14.1715 -1055.7665 175.8566 0.0000 2745.1194 6492.6867 303.2061 3747.5673 6529.3090 299.9987 PRESSURE: 161600 0 0 0 0 0 0 0 0 0 GPRESSURE: 161600 0 0 0 0 0 0 0 0 0 PRESSAVG: 161600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161600 0 0 0 0 0 0 0 0 0 TIMING: 161600 CPU: 644.11, 0.00398425/step Wall: 644.11, 0.00398425/step, 0.374519 hours remaining, 109.511719 MB of memory in use. ENERGY: 161600 657.9071 1882.2049 2030.0634 102.3234 -14.2576 -1031.8203 159.3263 0.0000 2709.8104 6495.5575 299.3061 3785.7472 6531.2691 302.1548 PRESSURE: 161700 0 0 0 0 0 0 0 0 0 GPRESSURE: 161700 0 0 0 0 0 0 0 0 0 PRESSAVG: 161700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161700 0 0 0 0 0 0 0 0 0 TIMING: 161700 CPU: 644.508, 0.00397188/step Wall: 644.508, 0.00397188/step, 0.373247 hours remaining, 109.511719 MB of memory in use. ENERGY: 161700 668.4647 1870.7755 2000.7061 105.5347 -14.3710 -1077.2421 176.2903 0.0000 2735.9875 6466.1457 302.1974 3730.1582 6500.2423 300.2011 PRESSURE: 161800 0 0 0 0 0 0 0 0 0 GPRESSURE: 161800 0 0 0 0 0 0 0 0 0 PRESSAVG: 161800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161800 0 0 0 0 0 0 0 0 0 TIMING: 161800 CPU: 644.905, 0.00397264/step Wall: 644.905, 0.00397264/step, 0.373207 hours remaining, 109.511719 MB of memory in use. ENERGY: 161800 667.4911 1885.5115 2003.1322 106.5527 -14.8489 -1033.4414 161.8392 0.0000 2703.8508 6480.0872 298.6479 3776.2364 6512.9314 299.9154 PRESSURE: 161900 0 0 0 0 0 0 0 0 0 GPRESSURE: 161900 0 0 0 0 0 0 0 0 0 PRESSAVG: 161900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161900 0 0 0 0 0 0 0 0 0 TIMING: 161900 CPU: 645.303, 0.00398473/step Wall: 645.303, 0.00398473/step, 0.374233 hours remaining, 109.511719 MB of memory in use. ENERGY: 161900 689.0632 1848.8742 2023.0516 118.2792 -14.2296 -1055.1702 165.4502 0.0000 2680.4943 6455.8129 296.0681 3775.3186 6487.9490 300.3775 PRESSURE: 162000 0 0 0 0 0 0 0 0 0 GPRESSURE: 162000 0 0 0 0 0 0 0 0 0 PRESSAVG: 162000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162000 0 0 0 0 0 0 0 0 0 TIMING: 162000 CPU: 645.701, 0.00397338/step Wall: 645.701, 0.00397338/step, 0.373056 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 162000 626.3114 1879.8793 2039.6432 101.2232 -15.6567 -1061.4315 167.7356 0.0000 2714.8499 6452.5544 299.8627 3737.7044 6487.8766 298.5755 PRESSURE: 162100 0 0 0 0 0 0 0 0 0 GPRESSURE: 162100 0 0 0 0 0 0 0 0 0 PRESSAVG: 162100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162100 0 0 0 0 0 0 0 0 0 TIMING: 162100 CPU: 646.099, 0.00398445/step Wall: 646.099, 0.00398445/step, 0.373985 hours remaining, 109.511719 MB of memory in use. ENERGY: 162100 634.7797 1865.2157 2004.1684 98.8218 -15.0051 -1011.4630 155.5632 0.0000 2722.4690 6454.5498 300.7043 3732.0807 6484.5946 298.9021 PRESSURE: 162200 0 0 0 0 0 0 0 0 0 GPRESSURE: 162200 0 0 0 0 0 0 0 0 0 PRESSAVG: 162200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162200 0 0 0 0 0 0 0 0 0 TIMING: 162200 CPU: 646.496, 0.00397192/step Wall: 646.496, 0.00397192/step, 0.372698 hours remaining, 109.511719 MB of memory in use. ENERGY: 162200 650.2705 1892.1816 2000.1296 105.9615 -13.8836 -1055.7352 164.7632 0.0000 2685.5618 6429.2493 296.6278 3743.6875 6460.9394 298.6396 PRESSURE: 162300 0 0 0 0 0 0 0 0 0 GPRESSURE: 162300 0 0 0 0 0 0 0 0 0 PRESSAVG: 162300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162300 0 0 0 0 0 0 0 0 0 TIMING: 162300 CPU: 646.893, 0.00397136/step Wall: 646.893, 0.00397136/step, 0.372536 hours remaining, 109.511719 MB of memory in use. ENERGY: 162300 609.6584 1832.1272 2009.5553 93.3547 -14.3409 -1015.2363 168.3847 0.0000 2785.4596 6468.9628 307.6618 3683.5032 6501.7605 297.6635 PRESSURE: 162400 0 0 0 0 0 0 0 0 0 GPRESSURE: 162400 0 0 0 0 0 0 0 0 0 PRESSAVG: 162400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162400 0 0 0 0 0 0 0 0 0 TIMING: 162400 CPU: 647.292, 0.00398564/step Wall: 647.292, 0.00398564/step, 0.373765 hours remaining, 109.511719 MB of memory in use. ENERGY: 162400 675.0657 1881.7065 1999.3354 98.9746 -13.8529 -1051.4535 182.7251 0.0000 2682.6185 6455.1194 296.3027 3772.5009 6485.1040 300.2686 PRESSURE: 162500 0 0 0 0 0 0 0 0 0 GPRESSURE: 162500 0 0 0 0 0 0 0 0 0 PRESSAVG: 162500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162500 0 0 0 0 0 0 0 0 0 TIMING: 162500 CPU: 647.689, 0.00397368/step Wall: 647.689, 0.00397367/step, 0.372532 hours remaining, 109.511719 MB of memory in use. ENERGY: 162500 678.9343 1910.9181 2018.0975 109.9943 -15.3788 -1059.7309 162.9452 0.0000 2669.7793 6475.5589 294.8846 3805.7796 6508.3764 299.6534 PRESSURE: 162600 0 0 0 0 0 0 0 0 0 GPRESSURE: 162600 0 0 0 0 0 0 0 0 0 PRESSAVG: 162600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162600 0 0 0 0 0 0 0 0 0 TIMING: 162600 CPU: 648.088, 0.0039823/step Wall: 648.088, 0.00398231/step, 0.373231 hours remaining, 109.511719 MB of memory in use. ENERGY: 162600 687.6270 1860.0813 2017.6995 91.4364 -15.0961 -1045.7590 165.9609 0.0000 2714.3755 6476.3256 299.8103 3761.9501 6508.3652 299.5681 PRESSURE: 162700 0 0 0 0 0 0 0 0 0 GPRESSURE: 162700 0 0 0 0 0 0 0 0 0 PRESSAVG: 162700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162700 0 0 0 0 0 0 0 0 0 TIMING: 162700 CPU: 648.485, 0.00397242/step Wall: 648.485, 0.00397242/step, 0.372194 hours remaining, 109.511719 MB of memory in use. ENERGY: 162700 661.7350 1902.6227 1994.7451 93.9196 -14.6383 -1070.8231 170.6255 0.0000 2762.8569 6501.0433 305.1652 3738.1864 6534.1544 301.3764 PRESSURE: 162800 0 0 0 0 0 0 0 0 0 GPRESSURE: 162800 0 0 0 0 0 0 0 0 0 PRESSAVG: 162800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162800 0 0 0 0 0 0 0 0 0 TIMING: 162800 CPU: 648.882, 0.00397044/step Wall: 648.882, 0.00397044/step, 0.371898 hours remaining, 109.511719 MB of memory in use. ENERGY: 162800 646.7907 1906.7240 2007.0070 108.6097 -15.4541 -1019.9512 163.2658 0.0000 2696.3453 6493.3374 297.8189 3796.9920 6526.2766 300.7057 PRESSURE: 162900 0 0 0 0 0 0 0 0 0 GPRESSURE: 162900 0 0 0 0 0 0 0 0 0 PRESSAVG: 162900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162900 0 0 0 0 0 0 0 0 0 TIMING: 162900 CPU: 649.28, 0.0039857/step Wall: 649.28, 0.0039857/step, 0.373217 hours remaining, 109.511719 MB of memory in use. ENERGY: 162900 650.9929 1878.5259 2029.2039 92.9030 -15.3473 -1062.7133 157.4898 0.0000 2731.9346 6462.9895 301.7498 3731.0549 6500.6229 298.9882 PRESSURE: 163000 0 0 0 0 0 0 0 0 0 GPRESSURE: 163000 0 0 0 0 0 0 0 0 0 PRESSAVG: 163000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163000 0 0 0 0 0 0 0 0 0 TIMING: 163000 CPU: 649.678, 0.00397416/step Wall: 649.678, 0.00397416/step, 0.372025 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 163000 691.7046 1883.3373 1988.4801 97.1926 -15.1015 -1023.3415 166.1238 0.0000 2716.5677 6504.9632 300.0525 3788.3955 6538.4523 299.6255 PRESSURE: 163100 0 0 0 0 0 0 0 0 0 GPRESSURE: 163100 0 0 0 0 0 0 0 0 0 PRESSAVG: 163100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163100 0 0 0 0 0 0 0 0 0 TIMING: 163100 CPU: 650.077, 0.00398759/step Wall: 650.077, 0.00398759/step, 0.373172 hours remaining, 109.511719 MB of memory in use. ENERGY: 163100 634.9021 1882.8163 2000.1227 92.2068 -15.3972 -1002.8446 170.6316 0.0000 2744.6819 6507.1195 303.1578 3762.4376 6540.6426 301.6973 PRESSURE: 163200 0 0 0 0 0 0 0 0 0 GPRESSURE: 163200 0 0 0 0 0 0 0 0 0 PRESSAVG: 163200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163200 0 0 0 0 0 0 0 0 0 TIMING: 163200 CPU: 650.474, 0.00397442/step Wall: 650.474, 0.00397442/step, 0.371829 hours remaining, 109.511719 MB of memory in use. ENERGY: 163200 633.2984 1873.6648 1993.0648 105.7806 -14.7469 -1018.6483 181.4276 0.0000 2716.7208 6470.5617 300.0694 3753.8410 6503.6604 299.8477 PRESSURE: 163300 0 0 0 0 0 0 0 0 0 GPRESSURE: 163300 0 0 0 0 0 0 0 0 0 PRESSAVG: 163300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163300 0 0 0 0 0 0 0 0 0 TIMING: 163300 CPU: 650.871, 0.00397178/step Wall: 650.871, 0.00397177/step, 0.371471 hours remaining, 109.511719 MB of memory in use. ENERGY: 163300 650.7734 1856.9805 1981.2386 104.6613 -13.1468 -1042.8060 167.2491 0.0000 2691.3769 6396.3269 297.2701 3704.9500 6427.8533 297.1181 PRESSURE: 163400 0 0 0 0 0 0 0 0 0 GPRESSURE: 163400 0 0 0 0 0 0 0 0 0 PRESSAVG: 163400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163400 0 0 0 0 0 0 0 0 0 TIMING: 163400 CPU: 651.27, 0.00398354/step Wall: 651.27, 0.00398355/step, 0.372462 hours remaining, 109.511719 MB of memory in use. ENERGY: 163400 632.5531 1872.1764 2007.6826 107.9054 -13.2584 -1044.6340 162.1141 0.0000 2696.0190 6420.5582 297.7828 3724.5393 6456.0112 296.8775 PRESSURE: 163500 0 0 0 0 0 0 0 0 0 GPRESSURE: 163500 0 0 0 0 0 0 0 0 0 PRESSAVG: 163500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163500 0 0 0 0 0 0 0 0 0 TIMING: 163500 CPU: 651.667, 0.00397355/step Wall: 651.667, 0.00397355/step, 0.371417 hours remaining, 109.511719 MB of memory in use. ENERGY: 163500 622.3498 1831.6032 1987.8889 103.9617 -13.9998 -1021.3354 179.2717 0.0000 2705.2919 6395.0319 298.8070 3689.7400 6427.2713 296.4243 PRESSURE: 163600 0 0 0 0 0 0 0 0 0 GPRESSURE: 163600 0 0 0 0 0 0 0 0 0 PRESSAVG: 163600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163600 0 0 0 0 0 0 0 0 0 TIMING: 163600 CPU: 652.065, 0.00398104/step Wall: 652.065, 0.00398104/step, 0.372006 hours remaining, 109.511719 MB of memory in use. ENERGY: 163600 638.1702 1848.1558 1987.2307 124.1133 -14.1699 -1066.0851 179.6436 0.0000 2696.8706 6393.9292 297.8769 3697.0586 6425.1422 294.6580 PRESSURE: 163700 0 0 0 0 0 0 0 0 0 GPRESSURE: 163700 0 0 0 0 0 0 0 0 0 PRESSAVG: 163700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163700 0 0 0 0 0 0 0 0 0 TIMING: 163700 CPU: 652.463, 0.00397535/step Wall: 652.463, 0.00397535/step, 0.371364 hours remaining, 109.511719 MB of memory in use. ENERGY: 163700 676.2542 1865.5666 2010.8491 107.1241 -14.1424 -1081.9850 150.3514 0.0000 2721.4481 6435.4662 300.5915 3714.0181 6467.7935 296.2859 PRESSURE: 163800 0 0 0 0 0 0 0 0 0 GPRESSURE: 163800 0 0 0 0 0 0 0 0 0 PRESSAVG: 163800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163800 0 0 0 0 0 0 0 0 0 TIMING: 163800 CPU: 652.86, 0.00397109/step Wall: 652.86, 0.00397109/step, 0.370856 hours remaining, 109.511719 MB of memory in use. ENERGY: 163800 633.2612 1868.0402 2021.2568 94.9152 -14.2058 -1008.7189 186.2617 0.0000 2678.1464 6458.9569 295.8087 3780.8105 6491.7028 298.3234 PRESSURE: 163900 0 0 0 0 0 0 0 0 0 GPRESSURE: 163900 0 0 0 0 0 0 0 0 0 PRESSAVG: 163900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163900 0 0 0 0 0 0 0 0 0 TIMING: 163900 CPU: 653.258, 0.0039831/step Wall: 653.258, 0.0039831/step, 0.371867 hours remaining, 109.511719 MB of memory in use. ENERGY: 163900 645.2198 1906.1984 2017.2633 99.5204 -14.6962 -1027.7452 157.5004 0.0000 2663.9025 6447.1636 294.2355 3783.2611 6476.6604 299.3828 PRESSURE: 164000 0 0 0 0 0 0 0 0 0 GPRESSURE: 164000 0 0 0 0 0 0 0 0 0 PRESSAVG: 164000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164000 0 0 0 0 0 0 0 0 0 TIMING: 164000 CPU: 653.655, 0.00397186/step Wall: 653.655, 0.00397186/step, 0.370707 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 164000 650.6497 1869.4868 2041.4387 103.4679 -15.1649 -1057.0634 156.0322 0.0000 2717.0458 6465.8928 300.1053 3748.8470 6499.5880 298.1022 PRESSURE: 164100 0 0 0 0 0 0 0 0 0 GPRESSURE: 164100 0 0 0 0 0 0 0 0 0 PRESSAVG: 164100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164100 0 0 0 0 0 0 0 0 0 TIMING: 164100 CPU: 654.052, 0.00397127/step Wall: 654.052, 0.00397127/step, 0.370541 hours remaining, 109.511719 MB of memory in use. ENERGY: 164100 626.1969 1914.6920 2012.1175 107.0076 -14.4633 -1058.9050 165.2504 0.0000 2737.9135 6489.8097 302.4102 3751.8961 6520.4450 299.9443 PRESSURE: 164200 0 0 0 0 0 0 0 0 0 GPRESSURE: 164200 0 0 0 0 0 0 0 0 0 PRESSAVG: 164200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164200 0 0 0 0 0 0 0 0 0 TIMING: 164200 CPU: 654.451, 0.00398269/step Wall: 654.451, 0.00398269/step, 0.371496 hours remaining, 109.511719 MB of memory in use. ENERGY: 164200 625.9925 1880.1780 2034.3474 94.2287 -14.1884 -1022.8558 166.8894 0.0000 2718.1255 6482.7173 300.2245 3764.5918 6515.3441 300.8285 LDB: ============= START OF LOAD BALANCING ============== 657.225 LDB: ============== END OF LOAD BALANCING =============== 657.225 LDB: =============== DONE WITH MIGRATION ================ 657.225 PRESSURE: 164300 0 0 0 0 0 0 0 0 0 GPRESSURE: 164300 0 0 0 0 0 0 0 0 0 PRESSAVG: 164300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164300 0 0 0 0 0 0 0 0 0 TIMING: 164300 CPU: 654.848, 0.00397176/step Wall: 654.848, 0.00397176/step, 0.370367 hours remaining, 109.511719 MB of memory in use. ENERGY: 164300 653.1305 1871.4679 2007.7705 102.9338 -14.9192 -1041.0543 165.6404 0.0000 2732.9015 6477.8712 301.8566 3744.9697 6512.3596 299.1392 LDB: ============= START OF LOAD BALANCING ============== 657.624 LDB: ============== END OF LOAD BALANCING =============== 657.624 LDB: =============== DONE WITH MIGRATION ================ 657.624 PRESSURE: 164400 0 0 0 0 0 0 0 0 0 GPRESSURE: 164400 0 0 0 0 0 0 0 0 0 PRESSAVG: 164400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164400 0 0 0 0 0 0 0 0 0 TIMING: 164400 CPU: 655.247, 0.00399027/step Wall: 655.247, 0.00399027/step, 0.371982 hours remaining, 109.511719 MB of memory in use. ENERGY: 164400 647.1201 1878.1469 1998.3404 106.4011 -14.4788 -1051.9195 159.2305 0.0000 2724.3443 6447.1850 300.9114 3722.8407 6481.0313 299.0948 PRESSURE: 164500 0 0 0 0 0 0 0 0 0 GPRESSURE: 164500 0 0 0 0 0 0 0 0 0 PRESSAVG: 164500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164500 0 0 0 0 0 0 0 0 0 TIMING: 164500 CPU: 655.644, 0.00397379/step Wall: 655.644, 0.00397379/step, 0.370335 hours remaining, 109.511719 MB of memory in use. ENERGY: 164500 665.8306 1873.9059 2038.8668 114.0256 -14.5374 -1069.6466 168.9242 0.0000 2679.7066 6457.0757 295.9811 3777.3691 6489.9265 299.1306 PRESSURE: 164600 0 0 0 0 0 0 0 0 0 GPRESSURE: 164600 0 0 0 0 0 0 0 0 0 PRESSAVG: 164600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164600 0 0 0 0 0 0 0 0 0 TIMING: 164600 CPU: 656.041, 0.00397155/step Wall: 656.041, 0.00397155/step, 0.370016 hours remaining, 109.511719 MB of memory in use. ENERGY: 164600 643.7470 1880.1369 2024.0082 112.7748 -14.7260 -1035.2531 170.6569 0.0000 2684.5542 6465.8989 296.5165 3781.3447 6497.5207 299.3717 PRESSURE: 164700 0 0 0 0 0 0 0 0 0 GPRESSURE: 164700 0 0 0 0 0 0 0 0 0 PRESSAVG: 164700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164700 0 0 0 0 0 0 0 0 0 TIMING: 164700 CPU: 656.44, 0.00398366/step Wall: 656.44, 0.00398366/step, 0.371034 hours remaining, 109.511719 MB of memory in use. ENERGY: 164700 677.1266 1857.9785 2006.0647 100.3427 -15.7702 -1072.7504 168.3055 0.0000 2711.0630 6432.3604 299.4445 3721.2974 6464.8917 296.8037 PRESSURE: 164800 0 0 0 0 0 0 0 0 0 GPRESSURE: 164800 0 0 0 0 0 0 0 0 0 PRESSAVG: 164800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164800 0 0 0 0 0 0 0 0 0 TIMING: 164800 CPU: 656.837, 0.00397144/step Wall: 656.837, 0.00397144/step, 0.369785 hours remaining, 109.511719 MB of memory in use. ENERGY: 164800 605.1236 1888.2213 1980.6884 115.7584 -14.9819 -1034.2397 155.8270 0.0000 2713.4914 6409.8883 299.7127 3696.3970 6439.7087 297.1670 PRESSURE: 164900 0 0 0 0 0 0 0 0 0 GPRESSURE: 164900 0 0 0 0 0 0 0 0 0 PRESSAVG: 164900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164900 0 0 0 0 0 0 0 0 0 TIMING: 164900 CPU: 657.235, 0.00398332/step Wall: 657.235, 0.00398332/step, 0.370781 hours remaining, 109.511719 MB of memory in use. ENERGY: 164900 619.3507 1886.3386 2001.0900 95.6761 -15.2330 -1020.7908 167.8681 0.0000 2691.4557 6425.7553 297.2788 3734.2996 6457.4782 297.2278 PRESSURE: 165000 0 0 0 0 0 0 0 0 0 GPRESSURE: 165000 0 0 0 0 0 0 0 0 0 PRESSAVG: 165000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165000 0 0 0 0 0 0 0 0 0 TIMING: 165000 CPU: 657.632, 0.00397228/step Wall: 657.632, 0.00397228/step, 0.369643 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 165000 627.7855 1879.8255 1985.9173 101.6912 -14.9633 -1020.3352 170.5727 0.0000 2701.2565 6431.7502 298.3613 3730.4937 6464.2099 297.1735 PRESSURE: 165100 0 0 0 0 0 0 0 0 0 GPRESSURE: 165100 0 0 0 0 0 0 0 0 0 PRESSAVG: 165100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165100 0 0 0 0 0 0 0 0 0 TIMING: 165100 CPU: 658.03, 0.00397445/step Wall: 658.03, 0.00397445/step, 0.369734 hours remaining, 109.511719 MB of memory in use. ENERGY: 165100 646.2944 1903.8005 1979.6167 101.8508 -14.2869 -1030.9595 175.2206 0.0000 2665.6657 6427.2025 294.4302 3761.5367 6457.0811 295.7099 PRESSURE: 165200 0 0 0 0 0 0 0 0 0 GPRESSURE: 165200 0 0 0 0 0 0 0 0 0 PRESSAVG: 165200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165200 0 0 0 0 0 0 0 0 0 TIMING: 165200 CPU: 658.428, 0.00398327/step Wall: 658.428, 0.00398327/step, 0.370444 hours remaining, 109.511719 MB of memory in use. ENERGY: 165200 662.2758 1897.0303 2009.0991 100.5055 -14.1254 -1070.1379 165.7155 0.0000 2680.9304 6431.2933 296.1162 3750.3629 6464.1351 295.5365 PRESSURE: 165300 0 0 0 0 0 0 0 0 0 GPRESSURE: 165300 0 0 0 0 0 0 0 0 0 PRESSAVG: 165300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165300 0 0 0 0 0 0 0 0 0 TIMING: 165300 CPU: 658.825, 0.00397223/step Wall: 658.825, 0.00397223/step, 0.369307 hours remaining, 109.511719 MB of memory in use. ENERGY: 165300 660.3935 1852.1809 1994.2731 97.1793 -15.0705 -1062.9527 169.8963 0.0000 2717.4387 6413.3387 300.1487 3695.9000 6443.3472 294.8616 PRESSURE: 165400 0 0 0 0 0 0 0 0 0 GPRESSURE: 165400 0 0 0 0 0 0 0 0 0 PRESSAVG: 165400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165400 0 0 0 0 0 0 0 0 0 TIMING: 165400 CPU: 659.224, 0.00398268/step Wall: 659.224, 0.00398267/step, 0.370167 hours remaining, 109.511719 MB of memory in use. ENERGY: 165400 689.4002 1864.6326 1996.6780 107.6270 -14.9072 -1054.5893 170.2026 0.0000 2691.2458 6450.2897 297.2556 3759.0438 6483.6009 297.1025 PRESSURE: 165500 0 0 0 0 0 0 0 0 0 GPRESSURE: 165500 0 0 0 0 0 0 0 0 0 PRESSAVG: 165500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165500 0 0 0 0 0 0 0 0 0 TIMING: 165500 CPU: 659.621, 0.00397267/step Wall: 659.621, 0.00397268/step, 0.369128 hours remaining, 109.511719 MB of memory in use. ENERGY: 165500 681.5231 1875.4389 2001.1260 107.6016 -15.8777 -1033.0715 159.3125 0.0000 2706.1428 6482.1956 298.9010 3776.0529 6513.5979 299.5259 PRESSURE: 165600 0 0 0 0 0 0 0 0 0 GPRESSURE: 165600 0 0 0 0 0 0 0 0 0 PRESSAVG: 165600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165600 0 0 0 0 0 0 0 0 0 TIMING: 165600 CPU: 660.018, 0.00397145/step Wall: 660.018, 0.00397145/step, 0.368904 hours remaining, 109.511719 MB of memory in use. ENERGY: 165600 636.8561 1889.5658 2010.3632 106.9822 -13.7000 -1003.0673 167.5081 0.0000 2707.3667 6501.8746 299.0362 3794.5079 6534.9740 300.3278 PRESSURE: 165700 0 0 0 0 0 0 0 0 0 GPRESSURE: 165700 0 0 0 0 0 0 0 0 0 PRESSAVG: 165700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165700 0 0 0 0 0 0 0 0 0 TIMING: 165700 CPU: 660.417, 0.00398391/step Wall: 660.417, 0.00398391/step, 0.36995 hours remaining, 109.511719 MB of memory in use. ENERGY: 165700 710.1460 1803.7584 1999.8538 103.1278 -15.1658 -1037.7196 173.2488 0.0000 2795.9279 6533.1774 308.8180 3737.2495 6570.2205 302.1649 PRESSURE: 165800 0 0 0 0 0 0 0 0 0 GPRESSURE: 165800 0 0 0 0 0 0 0 0 0 PRESSAVG: 165800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165800 0 0 0 0 0 0 0 0 0 TIMING: 165800 CPU: 660.813, 0.00396969/step Wall: 660.813, 0.00396969/step, 0.36852 hours remaining, 109.511719 MB of memory in use. ENERGY: 165800 652.2409 1891.9398 2029.1514 110.1977 -15.4696 -1049.4682 164.3412 0.0000 2705.4866 6488.4197 298.8285 3782.9332 6522.5708 301.6774 PRESSURE: 165900 0 0 0 0 0 0 0 0 0 GPRESSURE: 165900 0 0 0 0 0 0 0 0 0 PRESSAVG: 165900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165900 0 0 0 0 0 0 0 0 0 TIMING: 165900 CPU: 661.212, 0.003984/step Wall: 661.212, 0.003984/step, 0.369737 hours remaining, 109.511719 MB of memory in use. ENERGY: 165900 655.0355 1892.3112 2014.8566 96.7015 -12.9229 -1051.7639 174.6714 0.0000 2713.4438 6482.3332 299.7074 3768.8894 6516.9508 299.8589 PRESSURE: 166000 0 0 0 0 0 0 0 0 0 GPRESSURE: 166000 0 0 0 0 0 0 0 0 0 PRESSAVG: 166000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166000 0 0 0 0 0 0 0 0 0 TIMING: 166000 CPU: 661.609, 0.00397149/step Wall: 661.609, 0.00397149/step, 0.368466 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 166000 639.7162 1849.6252 2013.2671 107.9649 -13.1695 -1033.4007 176.1626 0.0000 2725.7032 6465.8690 301.0615 3740.1659 6498.0883 299.8248 PRESSURE: 166100 0 0 0 0 0 0 0 0 0 GPRESSURE: 166100 0 0 0 0 0 0 0 0 0 PRESSAVG: 166100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166100 0 0 0 0 0 0 0 0 0 TIMING: 166100 CPU: 662.006, 0.00397026/step Wall: 662.006, 0.00397026/step, 0.368242 hours remaining, 109.511719 MB of memory in use. ENERGY: 166100 703.7074 1936.2570 1983.9143 112.3218 -13.3888 -1105.7189 176.3310 0.0000 2684.1860 6477.6099 296.4758 3793.4238 6508.4479 299.1641 PRESSURE: 166200 0 0 0 0 0 0 0 0 0 GPRESSURE: 166200 0 0 0 0 0 0 0 0 0 PRESSAVG: 166200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166200 0 0 0 0 0 0 0 0 0 TIMING: 166200 CPU: 662.404, 0.00398266/step Wall: 662.404, 0.00398266/step, 0.369281 hours remaining, 109.511719 MB of memory in use. ENERGY: 166200 639.6135 1877.9160 2009.9388 104.8288 -14.6154 -1030.6954 152.6065 0.0000 2714.6833 6454.2762 299.8443 3739.5929 6487.7460 299.4901 PRESSURE: 166300 0 0 0 0 0 0 0 0 0 GPRESSURE: 166300 0 0 0 0 0 0 0 0 0 PRESSAVG: 166300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166300 0 0 0 0 0 0 0 0 0 TIMING: 166300 CPU: 662.802, 0.00397302/step Wall: 662.802, 0.00397302/step, 0.368277 hours remaining, 109.511719 MB of memory in use. ENERGY: 166300 656.7854 1910.6053 2017.9657 102.7859 -13.6046 -1053.3558 163.6823 0.0000 2685.6060 6470.4702 296.6327 3784.8642 6503.0817 299.3994 PRESSURE: 166400 0 0 0 0 0 0 0 0 0 GPRESSURE: 166400 0 0 0 0 0 0 0 0 0 PRESSAVG: 166400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166400 0 0 0 0 0 0 0 0 0 TIMING: 166400 CPU: 663.2, 0.00398292/step Wall: 663.2, 0.00398292/step, 0.369084 hours remaining, 109.511719 MB of memory in use. ENERGY: 166400 663.6388 1889.7257 2024.7162 109.3546 -14.0329 -1047.4868 156.0484 0.0000 2702.6089 6484.5730 298.5107 3781.9641 6516.7270 299.7349 PRESSURE: 166500 0 0 0 0 0 0 0 0 0 GPRESSURE: 166500 0 0 0 0 0 0 0 0 0 PRESSAVG: 166500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166500 0 0 0 0 0 0 0 0 0 TIMING: 166500 CPU: 663.597, 0.00397306/step Wall: 663.597, 0.00397306/step, 0.36806 hours remaining, 109.511719 MB of memory in use. ENERGY: 166500 678.3959 1879.9095 2008.8316 104.1752 -13.7962 -1068.9162 151.9581 0.0000 2704.2398 6444.7977 298.6908 3740.5579 6478.7290 298.5986 PRESSURE: 166600 0 0 0 0 0 0 0 0 0 GPRESSURE: 166600 0 0 0 0 0 0 0 0 0 PRESSAVG: 166600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166600 0 0 0 0 0 0 0 0 0 TIMING: 166600 CPU: 663.994, 0.00397107/step Wall: 663.994, 0.00397107/step, 0.367765 hours remaining, 109.511719 MB of memory in use. ENERGY: 166600 630.7208 1948.3792 1993.7560 95.5941 -15.6478 -1036.0787 147.1757 0.0000 2679.1866 6443.0859 295.9236 3763.8992 6474.9406 296.5522 PRESSURE: 166700 0 0 0 0 0 0 0 0 0 GPRESSURE: 166700 0 0 0 0 0 0 0 0 0 PRESSAVG: 166700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166700 0 0 0 0 0 0 0 0 0 TIMING: 166700 CPU: 664.393, 0.00398299/step Wall: 664.393, 0.00398299/step, 0.368758 hours remaining, 109.511719 MB of memory in use. ENERGY: 166700 653.3045 1869.3461 2007.5381 102.6859 -15.2492 -1078.0041 165.2806 0.0000 2753.1891 6458.0908 304.0974 3704.9018 6491.5959 298.9462 PRESSURE: 166800 0 0 0 0 0 0 0 0 0 GPRESSURE: 166800 0 0 0 0 0 0 0 0 0 PRESSAVG: 166800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166800 0 0 0 0 0 0 0 0 0 TIMING: 166800 CPU: 664.79, 0.00397124/step Wall: 664.79, 0.00397124/step, 0.36756 hours remaining, 109.511719 MB of memory in use. ENERGY: 166800 661.2930 1856.4752 2061.3169 102.2516 -14.3575 -1068.4460 152.8688 0.0000 2696.1792 6447.5813 297.8005 3751.4020 6483.4285 297.3435 PRESSURE: 166900 0 0 0 0 0 0 0 0 0 GPRESSURE: 166900 0 0 0 0 0 0 0 0 0 PRESSAVG: 166900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166900 0 0 0 0 0 0 0 0 0 TIMING: 166900 CPU: 665.188, 0.00398293/step Wall: 665.188, 0.00398293/step, 0.368532 hours remaining, 109.511719 MB of memory in use. ENERGY: 166900 674.3565 1849.3308 2023.9954 93.7318 -15.9665 -1048.5010 161.4112 0.0000 2709.5871 6447.9452 299.2814 3738.3581 6482.8278 298.0237 PRESSURE: 167000 0 0 0 0 0 0 0 0 0 GPRESSURE: 167000 0 0 0 0 0 0 0 0 0 PRESSAVG: 167000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167000 0 0 0 0 0 0 0 0 0 TIMING: 167000 CPU: 665.585, 0.00397303/step Wall: 665.585, 0.00397303/step, 0.367505 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 167000 645.1756 1849.5895 2022.4575 96.9512 -15.2153 -1062.0075 178.1365 0.0000 2751.8026 6466.8901 303.9443 3715.0874 6502.1934 299.4225 PRESSURE: 167100 0 0 0 0 0 0 0 0 0 GPRESSURE: 167100 0 0 0 0 0 0 0 0 0 PRESSAVG: 167100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167100 0 0 0 0 0 0 0 0 0 TIMING: 167100 CPU: 665.983, 0.00397258/step Wall: 665.983, 0.00397258/step, 0.367353 hours remaining, 109.511719 MB of memory in use. ENERGY: 167100 664.8930 1883.1855 2006.8447 118.0978 -15.5665 -1011.2847 161.9529 0.0000 2691.5184 6499.6411 297.2857 3808.1227 6530.6473 299.7353 PRESSURE: 167200 0 0 0 0 0 0 0 0 0 GPRESSURE: 167200 0 0 0 0 0 0 0 0 0 PRESSAVG: 167200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167200 0 0 0 0 0 0 0 0 0 TIMING: 167200 CPU: 666.381, 0.00398387/step Wall: 666.381, 0.00398387/step, 0.368287 hours remaining, 109.511719 MB of memory in use. ENERGY: 167200 652.0834 1869.2409 2001.5740 96.5438 -15.2202 -1012.0187 158.1200 0.0000 2752.1936 6502.5167 303.9874 3750.3232 6537.7493 301.8442 PRESSURE: 167300 0 0 0 0 0 0 0 0 0 GPRESSURE: 167300 0 0 0 0 0 0 0 0 0 PRESSAVG: 167300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167300 0 0 0 0 0 0 0 0 0 TIMING: 167300 CPU: 666.778, 0.00397304/step Wall: 666.778, 0.00397304/step, 0.367175 hours remaining, 109.511719 MB of memory in use. ENERGY: 167300 633.6498 1905.0858 2007.1514 109.5616 -14.2770 -1017.9943 162.9093 0.0000 2726.4306 6512.5170 301.1419 3786.0864 6548.1033 301.7109 PRESSURE: 167400 0 0 0 0 0 0 0 0 0 GPRESSURE: 167400 0 0 0 0 0 0 0 0 0 PRESSAVG: 167400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167400 0 0 0 0 0 0 0 0 0 TIMING: 167400 CPU: 667.177, 0.00398274/step Wall: 667.177, 0.00398274/step, 0.367961 hours remaining, 109.511719 MB of memory in use. ENERGY: 167400 638.9034 1920.2149 2020.1156 108.3403 -14.7914 -1052.7146 169.5383 0.0000 2729.0442 6518.6508 301.4305 3789.6065 6549.7127 300.8687 PRESSURE: 167500 0 0 0 0 0 0 0 0 0 GPRESSURE: 167500 0 0 0 0 0 0 0 0 0 PRESSAVG: 167500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167500 0 0 0 0 0 0 0 0 0 TIMING: 167500 CPU: 667.574, 0.00397445/step Wall: 667.574, 0.00397445/step, 0.367085 hours remaining, 109.511719 MB of memory in use. ENERGY: 167500 653.3602 1937.0719 2015.4732 105.7948 -13.5549 -1053.2321 168.9047 0.0000 2693.9217 6507.7395 297.5512 3813.8179 6540.0978 300.0429 PRESSURE: 167600 0 0 0 0 0 0 0 0 0 GPRESSURE: 167600 0 0 0 0 0 0 0 0 0 PRESSAVG: 167600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167600 0 0 0 0 0 0 0 0 0 TIMING: 167600 CPU: 667.971, 0.00397152/step Wall: 667.971, 0.00397151/step, 0.366703 hours remaining, 109.511719 MB of memory in use. ENERGY: 167600 639.0849 1876.5499 2019.5278 93.3396 -15.0334 -1028.3963 163.7528 0.0000 2758.9922 6507.8177 304.7384 3748.8254 6541.6311 300.9773 PRESSURE: 167700 0 0 0 0 0 0 0 0 0 GPRESSURE: 167700 0 0 0 0 0 0 0 0 0 PRESSAVG: 167700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167700 0 0 0 0 0 0 0 0 0 TIMING: 167700 CPU: 668.37, 0.00398635/step Wall: 668.37, 0.00398635/step, 0.367962 hours remaining, 109.511719 MB of memory in use. ENERGY: 167700 671.8370 1891.2415 2005.4713 95.8269 -14.0336 -1027.9441 153.6800 0.0000 2726.4468 6502.5257 301.1436 3776.0790 6537.6950 301.0616 PRESSURE: 167800 0 0 0 0 0 0 0 0 0 GPRESSURE: 167800 0 0 0 0 0 0 0 0 0 PRESSAVG: 167800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167800 0 0 0 0 0 0 0 0 0 TIMING: 167800 CPU: 668.767, 0.00397245/step Wall: 668.767, 0.00397246/step, 0.36657 hours remaining, 109.511719 MB of memory in use. ENERGY: 167800 674.7463 1867.5835 1991.7482 100.1493 -15.2872 -1021.0798 156.4650 0.0000 2761.3481 6515.6733 304.9986 3754.3252 6549.8456 301.4259 PRESSURE: 167900 0 0 0 0 0 0 0 0 0 GPRESSURE: 167900 0 0 0 0 0 0 0 0 0 PRESSAVG: 167900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167900 0 0 0 0 0 0 0 0 0 TIMING: 167900 CPU: 669.165, 0.00398355/step Wall: 669.165, 0.00398355/step, 0.367482 hours remaining, 109.511719 MB of memory in use. ENERGY: 167900 678.5836 1904.8327 2009.3757 103.3873 -14.4223 -1024.0963 183.0370 0.0000 2726.8313 6567.5290 301.1861 3840.6977 6600.1873 304.6098 PRESSURE: 168000 0 0 0 0 0 0 0 0 0 GPRESSURE: 168000 0 0 0 0 0 0 0 0 0 PRESSAVG: 168000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168000 0 0 0 0 0 0 0 0 0 TIMING: 168000 CPU: 669.563, 0.00397233/step Wall: 669.563, 0.00397233/step, 0.366337 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 168000 651.2858 1897.1485 2016.9923 105.5983 -14.6450 -1030.9795 174.1331 0.0000 2749.4648 6548.9984 303.6860 3799.5336 6581.9686 303.8402 PRESSURE: 168100 0 0 0 0 0 0 0 0 0 GPRESSURE: 168100 0 0 0 0 0 0 0 0 0 PRESSAVG: 168100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168100 0 0 0 0 0 0 0 0 0 TIMING: 168100 CPU: 669.96, 0.00397155/step Wall: 669.96, 0.00397155/step, 0.366155 hours remaining, 109.511719 MB of memory in use. ENERGY: 168100 659.1362 1865.6433 2047.0371 106.7537 -15.3264 -1052.8556 181.8536 0.0000 2738.7870 6531.0289 302.5067 3792.2419 6563.2316 301.9059 PRESSURE: 168200 0 0 0 0 0 0 0 0 0 GPRESSURE: 168200 0 0 0 0 0 0 0 0 0 PRESSAVG: 168200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168200 0 0 0 0 0 0 0 0 0 TIMING: 168200 CPU: 670.359, 0.00398748/step Wall: 670.359, 0.00398747/step, 0.367512 hours remaining, 109.511719 MB of memory in use. ENERGY: 168200 646.3918 1906.5319 1986.0514 98.4623 -16.1068 -1036.4959 172.2795 0.0000 2770.6750 6527.7891 306.0288 3757.1141 6561.8615 301.7449 LDB: ============= START OF LOAD BALANCING ============== 673.133 LDB: ============== END OF LOAD BALANCING =============== 673.133 LDB: =============== DONE WITH MIGRATION ================ 673.133 PRESSURE: 168300 0 0 0 0 0 0 0 0 0 GPRESSURE: 168300 0 0 0 0 0 0 0 0 0 PRESSAVG: 168300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168300 0 0 0 0 0 0 0 0 0 TIMING: 168300 CPU: 670.756, 0.00397078/step Wall: 670.756, 0.00397079/step, 0.365864 hours remaining, 109.511719 MB of memory in use. ENERGY: 168300 691.1840 1878.2564 2027.1427 109.0381 -16.1680 -1043.9327 171.5831 0.0000 2684.9164 6502.0200 296.5565 3817.1035 6536.1322 302.0270 LDB: ============= START OF LOAD BALANCING ============== 673.536 LDB: ============== END OF LOAD BALANCING =============== 673.536 LDB: =============== DONE WITH MIGRATION ================ 673.536 PRESSURE: 168400 0 0 0 0 0 0 0 0 0 GPRESSURE: 168400 0 0 0 0 0 0 0 0 0 PRESSAVG: 168400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168400 0 0 0 0 0 0 0 0 0 TIMING: 168400 CPU: 671.158, 0.00402471/step Wall: 671.158, 0.00402471/step, 0.37072 hours remaining, 109.511719 MB of memory in use. ENERGY: 168400 676.3662 1898.2975 1981.3420 98.7092 -15.4786 -1048.1764 179.6723 0.0000 2701.0059 6471.7381 298.3336 3770.7323 6502.5937 300.0389 PRESSURE: 168500 0 0 0 0 0 0 0 0 0 GPRESSURE: 168500 0 0 0 0 0 0 0 0 0 PRESSAVG: 168500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168500 0 0 0 0 0 0 0 0 0 TIMING: 168500 CPU: 671.556, 0.00397571/step Wall: 671.556, 0.00397571/step, 0.366097 hours remaining, 109.511719 MB of memory in use. ENERGY: 168500 676.4162 1882.0677 2008.3149 118.6829 -15.6237 -1017.5691 170.3128 0.0000 2615.0049 6437.6066 288.8346 3822.6017 6470.0964 297.7043 PRESSURE: 168600 0 0 0 0 0 0 0 0 0 GPRESSURE: 168600 0 0 0 0 0 0 0 0 0 PRESSAVG: 168600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168600 0 0 0 0 0 0 0 0 0 TIMING: 168600 CPU: 671.953, 0.00397625/step Wall: 671.953, 0.00397625/step, 0.366036 hours remaining, 109.511719 MB of memory in use. ENERGY: 168600 670.7636 1929.1825 2021.0007 109.1558 -15.4415 -1086.8663 157.3167 0.0000 2689.1997 6474.3111 297.0296 3785.1114 6508.4031 298.9245 PRESSURE: 168700 0 0 0 0 0 0 0 0 0 GPRESSURE: 168700 0 0 0 0 0 0 0 0 0 PRESSAVG: 168700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168700 0 0 0 0 0 0 0 0 0 TIMING: 168700 CPU: 672.352, 0.00398624/step Wall: 672.352, 0.00398624/step, 0.366845 hours remaining, 109.511719 MB of memory in use. ENERGY: 168700 687.0204 1874.3925 2035.8936 104.8411 -16.2580 -1034.4968 156.9916 0.0000 2664.4914 6472.8758 294.3005 3808.3844 6502.5297 299.8368 PRESSURE: 168800 0 0 0 0 0 0 0 0 0 GPRESSURE: 168800 0 0 0 0 0 0 0 0 0 PRESSAVG: 168800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168800 0 0 0 0 0 0 0 0 0 TIMING: 168800 CPU: 672.749, 0.00397359/step Wall: 672.749, 0.00397359/step, 0.36557 hours remaining, 109.511719 MB of memory in use. ENERGY: 168800 644.1325 1901.3208 2004.7586 108.7646 -15.5507 -1026.0926 150.3974 0.0000 2723.4558 6491.1864 300.8133 3767.7306 6524.0391 299.7157 PRESSURE: 168900 0 0 0 0 0 0 0 0 0 GPRESSURE: 168900 0 0 0 0 0 0 0 0 0 PRESSAVG: 168900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168900 0 0 0 0 0 0 0 0 0 TIMING: 168900 CPU: 673.148, 0.00398332/step Wall: 673.148, 0.00398332/step, 0.366355 hours remaining, 109.511719 MB of memory in use. ENERGY: 168900 661.0028 1868.7914 2035.7682 93.4002 -15.2170 -1064.5638 150.8323 0.0000 2745.9637 6475.9778 303.2993 3730.0141 6511.4590 301.1380 PRESSURE: 169000 0 0 0 0 0 0 0 0 0 GPRESSURE: 169000 0 0 0 0 0 0 0 0 0 PRESSAVG: 169000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169000 0 0 0 0 0 0 0 0 0 TIMING: 169000 CPU: 673.545, 0.00397371/step Wall: 673.545, 0.00397371/step, 0.365361 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 169000 675.4934 1924.2576 2004.1903 91.3812 -15.8713 -1058.1767 148.5751 0.0000 2740.0844 6509.9341 302.6500 3769.8497 6545.6250 300.2144 PRESSURE: 169100 0 0 0 0 0 0 0 0 0 GPRESSURE: 169100 0 0 0 0 0 0 0 0 0 PRESSAVG: 169100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169100 0 0 0 0 0 0 0 0 0 TIMING: 169100 CPU: 673.942, 0.00397401/step Wall: 673.942, 0.00397401/step, 0.365278 hours remaining, 109.511719 MB of memory in use. ENERGY: 169100 667.6060 1887.7246 2024.6518 112.6457 -15.2656 -1041.4047 155.9802 0.0000 2715.6696 6507.6077 299.9533 3791.9380 6540.8462 300.7916 PRESSURE: 169200 0 0 0 0 0 0 0 0 0 GPRESSURE: 169200 0 0 0 0 0 0 0 0 0 PRESSAVG: 169200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169200 0 0 0 0 0 0 0 0 0 TIMING: 169200 CPU: 674.341, 0.003984/step Wall: 674.341, 0.003984/step, 0.366085 hours remaining, 109.511719 MB of memory in use. ENERGY: 169200 652.6390 1898.7076 2039.2631 100.2913 -15.0438 -1032.5216 149.5024 0.0000 2711.9179 6504.7559 299.5389 3792.8379 6540.4579 301.5866 PRESSURE: 169300 0 0 0 0 0 0 0 0 0 GPRESSURE: 169300 0 0 0 0 0 0 0 0 0 PRESSAVG: 169300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169300 0 0 0 0 0 0 0 0 0 TIMING: 169300 CPU: 674.738, 0.00397025/step Wall: 674.738, 0.00397025/step, 0.364712 hours remaining, 109.511719 MB of memory in use. ENERGY: 169300 647.7091 1902.6924 2030.3791 102.7026 -13.8572 -1064.9022 161.4036 0.0000 2723.5690 6489.6963 300.8258 3766.1274 6523.2932 299.9517 PRESSURE: 169400 0 0 0 0 0 0 0 0 0 GPRESSURE: 169400 0 0 0 0 0 0 0 0 0 PRESSAVG: 169400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169400 0 0 0 0 0 0 0 0 0 TIMING: 169400 CPU: 675.136, 0.00398135/step Wall: 675.136, 0.00398134/step, 0.36562 hours remaining, 109.511719 MB of memory in use. ENERGY: 169400 659.7010 1871.6530 2039.7439 105.3062 -14.1488 -1083.2051 158.0536 0.0000 2733.1544 6470.2582 301.8845 3737.1038 6504.9264 299.9749 PRESSURE: 169500 0 0 0 0 0 0 0 0 0 GPRESSURE: 169500 0 0 0 0 0 0 0 0 0 PRESSAVG: 169500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169500 0 0 0 0 0 0 0 0 0 TIMING: 169500 CPU: 675.544, 0.00408107/step Wall: 675.544, 0.00408108/step, 0.374666 hours remaining, 109.511719 MB of memory in use. ENERGY: 169500 651.3326 1868.2009 2016.6013 104.3248 -15.0718 -1016.1111 163.4123 0.0000 2693.8491 6466.5382 297.5431 3772.6891 6498.0842 298.7991 PRESSURE: 169600 0 0 0 0 0 0 0 0 0 GPRESSURE: 169600 0 0 0 0 0 0 0 0 0 PRESSAVG: 169600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169600 0 0 0 0 0 0 0 0 0 TIMING: 169600 CPU: 675.953, 0.00408853/step Wall: 675.953, 0.00408853/step, 0.375236 hours remaining, 109.511719 MB of memory in use. ENERGY: 169600 658.1478 1892.4124 2031.0283 99.2873 -14.6262 -1075.5862 148.7643 0.0000 2722.5728 6462.0005 300.7158 3739.4277 6495.2705 297.7813 PRESSURE: 169700 0 0 0 0 0 0 0 0 0 GPRESSURE: 169700 0 0 0 0 0 0 0 0 0 PRESSAVG: 169700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169700 0 0 0 0 0 0 0 0 0 TIMING: 169700 CPU: 676.35, 0.00397581/step Wall: 676.35, 0.00397581/step, 0.36478 hours remaining, 109.511719 MB of memory in use. ENERGY: 169700 651.0956 1926.8330 2018.2697 103.0649 -15.1097 -1057.2513 155.4734 0.0000 2687.0771 6469.4528 296.7952 3782.3757 6501.1190 297.5732 PRESSURE: 169800 0 0 0 0 0 0 0 0 0 GPRESSURE: 169800 0 0 0 0 0 0 0 0 0 PRESSAVG: 169800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169800 0 0 0 0 0 0 0 0 0 TIMING: 169800 CPU: 676.748, 0.00397454/step Wall: 676.748, 0.00397454/step, 0.364554 hours remaining, 109.511719 MB of memory in use. ENERGY: 169800 650.2944 1908.9882 2004.3409 114.3644 -16.3386 -1021.1994 169.2844 0.0000 2707.5755 6517.3098 299.0593 3809.7343 6550.4887 300.8248 PRESSURE: 169900 0 0 0 0 0 0 0 0 0 GPRESSURE: 169900 0 0 0 0 0 0 0 0 0 PRESSAVG: 169900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169900 0 0 0 0 0 0 0 0 0 TIMING: 169900 CPU: 677.145, 0.00397459/step Wall: 677.145, 0.00397459/step, 0.364448 hours remaining, 109.511719 MB of memory in use. ENERGY: 169900 619.3974 1914.2118 2019.8045 109.9830 -15.2558 -1028.8062 147.9453 0.0000 2728.7144 6495.9945 301.3941 3767.2801 6531.3226 301.4199 PRESSURE: 170000 0 0 0 0 0 0 0 0 0 GPRESSURE: 170000 0 0 0 0 0 0 0 0 0 PRESSAVG: 170000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170000 0 0 0 0 0 0 0 0 0 TIMING: 170000 CPU: 677.543, 0.00397688/step Wall: 677.543, 0.00397688/step, 0.364547 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 170000 642.6371 1926.2227 2017.5247 103.1374 -14.9019 -1063.9269 159.7462 0.0000 2715.7323 6486.1716 299.9602 3770.4393 6519.7044 300.7359 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 170000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 170000 WRITING COORDINATES TO RESTART FILE AT STEP 170000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 170000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 170100 0 0 0 0 0 0 0 0 0 GPRESSURE: 170100 0 0 0 0 0 0 0 0 0 PRESSAVG: 170100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170100 0 0 0 0 0 0 0 0 0 TIMING: 170100 CPU: 678, 0.00456644/step Wall: 678, 0.00456644/step, 0.418463 hours remaining, 109.511719 MB of memory in use. ENERGY: 170100 655.4799 1922.6824 2028.7674 102.6181 -14.9033 -1069.6927 158.6617 0.0000 2744.7868 6528.4002 303.1693 3783.6134 6560.0382 301.1872 PRESSURE: 170200 0 0 0 0 0 0 0 0 0 GPRESSURE: 170200 0 0 0 0 0 0 0 0 0 PRESSAVG: 170200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170200 0 0 0 0 0 0 0 0 0 TIMING: 170200 CPU: 678.399, 0.00399244/step Wall: 678.399, 0.00399244/step, 0.365752 hours remaining, 109.511719 MB of memory in use. ENERGY: 170200 631.0378 1928.8453 2013.9639 110.6886 -14.6315 -1046.1199 159.8708 0.0000 2756.3653 6540.0203 304.4482 3783.6550 6573.2144 303.3167 PRESSURE: 170300 0 0 0 0 0 0 0 0 0 GPRESSURE: 170300 0 0 0 0 0 0 0 0 0 PRESSAVG: 170300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170300 0 0 0 0 0 0 0 0 0 TIMING: 170300 CPU: 678.797, 0.00398223/step Wall: 678.797, 0.00398223/step, 0.364706 hours remaining, 109.511719 MB of memory in use. ENERGY: 170300 662.5822 1916.0108 2022.9118 114.1888 -14.8121 -1031.7218 151.3028 0.0000 2723.8698 6544.3321 300.8590 3820.4623 6576.4836 303.2877 PRESSURE: 170400 0 0 0 0 0 0 0 0 0 GPRESSURE: 170400 0 0 0 0 0 0 0 0 0 PRESSAVG: 170400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170400 0 0 0 0 0 0 0 0 0 TIMING: 170400 CPU: 679.196, 0.00398948/step Wall: 679.196, 0.00398948/step, 0.365259 hours remaining, 109.511719 MB of memory in use. ENERGY: 170400 654.4595 1941.8721 2016.7849 94.0491 -14.5461 -1051.6855 165.2428 0.0000 2717.3583 6523.5352 300.1398 3806.1769 6554.0302 302.0593 PRESSURE: 170500 0 0 0 0 0 0 0 0 0 GPRESSURE: 170500 0 0 0 0 0 0 0 0 0 PRESSAVG: 170500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170500 0 0 0 0 0 0 0 0 0 TIMING: 170500 CPU: 679.594, 0.00397768/step Wall: 679.594, 0.00397768/step, 0.364068 hours remaining, 109.511719 MB of memory in use. ENERGY: 170500 660.0450 1889.0564 2016.5020 111.0740 -14.3991 -1037.1970 163.2973 0.0000 2708.7230 6497.1016 299.1860 3788.3785 6529.6378 300.1042 PRESSURE: 170600 0 0 0 0 0 0 0 0 0 GPRESSURE: 170600 0 0 0 0 0 0 0 0 0 PRESSAVG: 170600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170600 0 0 0 0 0 0 0 0 0 TIMING: 170600 CPU: 679.991, 0.00397076/step Wall: 679.991, 0.00397076/step, 0.363325 hours remaining, 109.511719 MB of memory in use. ENERGY: 170600 639.9848 1888.2057 2031.9087 96.3658 -14.8524 -1046.4937 160.7548 0.0000 2725.8633 6481.7369 301.0792 3755.8736 6516.3731 299.9273 PRESSURE: 170700 0 0 0 0 0 0 0 0 0 GPRESSURE: 170700 0 0 0 0 0 0 0 0 0 PRESSAVG: 170700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170700 0 0 0 0 0 0 0 0 0 TIMING: 170700 CPU: 680.389, 0.00398251/step Wall: 680.389, 0.00398251/step, 0.364289 hours remaining, 109.511719 MB of memory in use. ENERGY: 170700 656.6465 1895.2992 2012.8309 97.2434 -15.4085 -1041.4109 149.0449 0.0000 2712.3360 6466.5816 299.5851 3754.2456 6496.8410 300.0380 PRESSURE: 170800 0 0 0 0 0 0 0 0 0 GPRESSURE: 170800 0 0 0 0 0 0 0 0 0 PRESSAVG: 170800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170800 0 0 0 0 0 0 0 0 0 TIMING: 170800 CPU: 680.786, 0.00397272/step Wall: 680.786, 0.00397272/step, 0.363283 hours remaining, 109.511719 MB of memory in use. ENERGY: 170800 647.2134 1862.0110 2058.1543 99.8404 -16.3456 -1075.7041 178.9312 0.0000 2708.3124 6462.4130 299.1406 3754.1006 6497.0611 299.1138 PRESSURE: 170900 0 0 0 0 0 0 0 0 0 GPRESSURE: 170900 0 0 0 0 0 0 0 0 0 PRESSAVG: 170900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170900 0 0 0 0 0 0 0 0 0 TIMING: 170900 CPU: 681.185, 0.00398157/step Wall: 681.185, 0.00398157/step, 0.363982 hours remaining, 109.511719 MB of memory in use. ENERGY: 170900 660.0364 1921.1878 2008.8044 113.8437 -16.3691 -1058.0821 149.5084 0.0000 2724.2338 6503.1634 300.8992 3778.9296 6536.0682 300.0211 PRESSURE: 171000 0 0 0 0 0 0 0 0 0 GPRESSURE: 171000 0 0 0 0 0 0 0 0 0 PRESSAVG: 171000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171000 0 0 0 0 0 0 0 0 0 TIMING: 171000 CPU: 681.582, 0.0039751/step Wall: 681.582, 0.0039751/step, 0.36328 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 171000 668.9069 1927.7311 2022.5925 108.3212 -15.6942 -1080.8731 165.3350 0.0000 2738.5373 6534.8567 302.4791 3796.3194 6566.4676 302.7584 PRESSURE: 171100 0 0 0 0 0 0 0 0 0 GPRESSURE: 171100 0 0 0 0 0 0 0 0 0 PRESSAVG: 171100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171100 0 0 0 0 0 0 0 0 0 TIMING: 171100 CPU: 681.98, 0.0039734/step Wall: 681.98, 0.0039734/step, 0.363014 hours remaining, 109.511719 MB of memory in use. ENERGY: 171100 635.1824 1859.1332 2006.1535 111.3129 -14.8905 -1011.3632 153.5182 0.0000 2772.4662 6511.5128 306.2266 3739.0465 6545.4926 303.7282 PRESSURE: 171200 0 0 0 0 0 0 0 0 0 GPRESSURE: 171200 0 0 0 0 0 0 0 0 0 PRESSAVG: 171200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171200 0 0 0 0 0 0 0 0 0 TIMING: 171200 CPU: 682.378, 0.00398414/step Wall: 682.378, 0.00398414/step, 0.363885 hours remaining, 109.511719 MB of memory in use. ENERGY: 171200 640.4279 1898.4989 2017.8654 121.6718 -14.3027 -1086.4242 172.1278 0.0000 2751.2688 6501.1337 303.8853 3749.8649 6534.4796 302.2961 PRESSURE: 171300 0 0 0 0 0 0 0 0 0 GPRESSURE: 171300 0 0 0 0 0 0 0 0 0 PRESSAVG: 171300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171300 0 0 0 0 0 0 0 0 0 TIMING: 171300 CPU: 682.775, 0.00396959/step Wall: 682.775, 0.00396959/step, 0.362445 hours remaining, 109.511719 MB of memory in use. ENERGY: 171300 637.8079 1924.1594 1994.8497 100.9897 -14.4052 -1044.4554 160.1398 0.0000 2725.3467 6484.4327 301.0221 3759.0859 6518.2341 300.6693 PRESSURE: 171400 0 0 0 0 0 0 0 0 0 GPRESSURE: 171400 0 0 0 0 0 0 0 0 0 PRESSAVG: 171400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171400 0 0 0 0 0 0 0 0 0 TIMING: 171400 CPU: 683.173, 0.00397762/step Wall: 683.173, 0.00397762/step, 0.363068 hours remaining, 109.511719 MB of memory in use. ENERGY: 171400 640.3756 1906.3569 1995.4244 98.2381 -13.4015 -1061.4604 156.7498 0.0000 2770.8711 6493.1540 306.0504 3722.2829 6529.2658 300.0978 PRESSURE: 171500 0 0 0 0 0 0 0 0 0 GPRESSURE: 171500 0 0 0 0 0 0 0 0 0 PRESSAVG: 171500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171500 0 0 0 0 0 0 0 0 0 TIMING: 171500 CPU: 683.57, 0.00397516/step Wall: 683.57, 0.00397516/step, 0.362733 hours remaining, 109.511719 MB of memory in use. ENERGY: 171500 679.5806 1859.3696 2017.8022 113.0824 -15.0896 -1046.4381 159.5355 0.0000 2763.4769 6531.3195 305.2337 3767.8426 6565.9278 300.5778 PRESSURE: 171600 0 0 0 0 0 0 0 0 0 GPRESSURE: 171600 0 0 0 0 0 0 0 0 0 PRESSAVG: 171600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171600 0 0 0 0 0 0 0 0 0 TIMING: 171600 CPU: 683.967, 0.00397335/step Wall: 683.967, 0.00397335/step, 0.362458 hours remaining, 109.511719 MB of memory in use. ENERGY: 171600 669.2113 1873.6508 2015.5764 104.4036 -15.1821 -1031.7046 148.1503 0.0000 2740.7410 6504.8467 302.7225 3764.1057 6541.1724 303.0393 PRESSURE: 171700 0 0 0 0 0 0 0 0 0 GPRESSURE: 171700 0 0 0 0 0 0 0 0 0 PRESSAVG: 171700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171700 0 0 0 0 0 0 0 0 0 TIMING: 171700 CPU: 684.366, 0.00398237/step Wall: 684.366, 0.00398237/step, 0.36317 hours remaining, 109.511719 MB of memory in use. ENERGY: 171700 669.9663 1945.5939 2030.8996 119.7064 -15.3287 -1074.0277 171.8985 0.0000 2712.7542 6561.4625 299.6313 3848.7083 6595.5086 303.0880 PRESSURE: 171800 0 0 0 0 0 0 0 0 0 GPRESSURE: 171800 0 0 0 0 0 0 0 0 0 PRESSAVG: 171800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171800 0 0 0 0 0 0 0 0 0 TIMING: 171800 CPU: 684.763, 0.00397083/step Wall: 684.763, 0.00397083/step, 0.362007 hours remaining, 109.511719 MB of memory in use. ENERGY: 171800 653.0502 1898.0751 2040.5182 110.8534 -14.5742 -1039.7262 159.7920 0.0000 2747.9586 6555.9472 303.5197 3807.9886 6590.0805 304.9699 PRESSURE: 171900 0 0 0 0 0 0 0 0 0 GPRESSURE: 171900 0 0 0 0 0 0 0 0 0 PRESSAVG: 171900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171900 0 0 0 0 0 0 0 0 0 TIMING: 171900 CPU: 685.161, 0.00398268/step Wall: 685.161, 0.00398268/step, 0.362977 hours remaining, 109.511719 MB of memory in use. ENERGY: 171900 647.0061 1950.3509 2030.7683 110.9565 -15.6240 -1051.0127 169.4500 0.0000 2712.9634 6554.8585 299.6544 3841.8951 6589.8842 302.6939 PRESSURE: 172000 0 0 0 0 0 0 0 0 0 GPRESSURE: 172000 0 0 0 0 0 0 0 0 0 PRESSAVG: 172000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172000 0 0 0 0 0 0 0 0 0 TIMING: 172000 CPU: 685.559, 0.00397483/step Wall: 685.559, 0.00397483/step, 0.362151 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 172000 684.2080 1901.9149 2028.2709 113.5971 -14.0656 -1034.0812 162.8265 0.0000 2718.8144 6561.4851 300.3006 3842.6707 6593.9173 304.7712 PRESSURE: 172100 0 0 0 0 0 0 0 0 0 GPRESSURE: 172100 0 0 0 0 0 0 0 0 0 PRESSAVG: 172100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172100 0 0 0 0 0 0 0 0 0 TIMING: 172100 CPU: 685.956, 0.00397381/step Wall: 685.956, 0.0039738/step, 0.361947 hours remaining, 109.511719 MB of memory in use. ENERGY: 172100 666.3603 1905.6551 1986.1584 107.7812 -13.7650 -1070.7699 169.9502 0.0000 2792.2278 6543.5982 308.4093 3751.3703 6581.1904 303.9727 PRESSURE: 172200 0 0 0 0 0 0 0 0 0 GPRESSURE: 172200 0 0 0 0 0 0 0 0 0 PRESSAVG: 172200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172200 0 0 0 0 0 0 0 0 0 TIMING: 172200 CPU: 686.354, 0.0039818/step Wall: 686.354, 0.00398181/step, 0.362566 hours remaining, 109.511719 MB of memory in use. ENERGY: 172200 675.6575 1926.3037 2015.7295 101.0694 -14.3736 -1075.3411 158.1551 0.0000 2748.8785 6536.0791 303.6213 3787.2005 6569.2914 303.1123 LDB: ============= START OF LOAD BALANCING ============== 689.129 LDB: ============== END OF LOAD BALANCING =============== 689.129 LDB: =============== DONE WITH MIGRATION ================ 689.129 PRESSURE: 172300 0 0 0 0 0 0 0 0 0 GPRESSURE: 172300 0 0 0 0 0 0 0 0 0 PRESSAVG: 172300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172300 0 0 0 0 0 0 0 0 0 TIMING: 172300 CPU: 686.752, 0.00397466/step Wall: 686.752, 0.00397466/step, 0.361804 hours remaining, 109.511719 MB of memory in use. ENERGY: 172300 643.6004 1882.5262 2034.7673 113.7134 -14.7328 -1041.7202 172.7890 0.0000 2754.0071 6544.9504 304.1878 3790.9432 6580.6490 301.7355 LDB: ============= START OF LOAD BALANCING ============== 689.528 LDB: ============== END OF LOAD BALANCING =============== 689.528 LDB: =============== DONE WITH MIGRATION ================ 689.528 PRESSURE: 172400 0 0 0 0 0 0 0 0 0 GPRESSURE: 172400 0 0 0 0 0 0 0 0 0 PRESSAVG: 172400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172400 0 0 0 0 0 0 0 0 0 TIMING: 172400 CPU: 687.15, 0.0039869/step Wall: 687.15, 0.0039869/step, 0.362808 hours remaining, 109.511719 MB of memory in use. ENERGY: 172400 649.3880 1908.7820 2023.0997 109.8444 -14.5274 -1038.5129 144.4105 0.0000 2803.6009 6586.0851 309.6655 3782.4843 6624.1466 304.7882 PRESSURE: 172500 0 0 0 0 0 0 0 0 0 GPRESSURE: 172500 0 0 0 0 0 0 0 0 0 PRESSAVG: 172500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172500 0 0 0 0 0 0 0 0 0 TIMING: 172500 CPU: 687.547, 0.00397158/step Wall: 687.547, 0.00397158/step, 0.361304 hours remaining, 109.511719 MB of memory in use. ENERGY: 172500 661.5496 1934.9473 2005.8079 113.2298 -15.4952 -1054.4932 151.5916 0.0000 2776.6675 6573.8053 306.6907 3797.1379 6610.2267 305.6757 PRESSURE: 172600 0 0 0 0 0 0 0 0 0 GPRESSURE: 172600 0 0 0 0 0 0 0 0 0 PRESSAVG: 172600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172600 0 0 0 0 0 0 0 0 0 TIMING: 172600 CPU: 687.945, 0.00397215/step Wall: 687.945, 0.00397215/step, 0.361245 hours remaining, 109.511719 MB of memory in use. ENERGY: 172600 641.4477 1943.9350 2012.5975 106.2876 -15.5507 -1023.9949 177.6160 0.0000 2712.4321 6554.7703 299.5957 3842.3382 6587.7444 303.6764 PRESSURE: 172700 0 0 0 0 0 0 0 0 0 GPRESSURE: 172700 0 0 0 0 0 0 0 0 0 PRESSAVG: 172700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172700 0 0 0 0 0 0 0 0 0 TIMING: 172700 CPU: 688.343, 0.00398478/step Wall: 688.343, 0.00398478/step, 0.362283 hours remaining, 109.511719 MB of memory in use. ENERGY: 172700 665.8569 1887.2403 2017.4827 111.7128 -14.0900 -1028.0325 155.8565 0.0000 2779.1304 6575.1571 306.9627 3796.0268 6609.6718 304.6719 PRESSURE: 172800 0 0 0 0 0 0 0 0 0 GPRESSURE: 172800 0 0 0 0 0 0 0 0 0 PRESSAVG: 172800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172800 0 0 0 0 0 0 0 0 0 TIMING: 172800 CPU: 688.74, 0.00397205/step Wall: 688.74, 0.00397205/step, 0.361015 hours remaining, 109.511719 MB of memory in use. ENERGY: 172800 610.8725 1919.6092 2042.3689 109.2405 -15.2564 -1040.8913 162.0562 0.0000 2754.5727 6542.5723 304.2502 3787.9996 6578.9002 306.2711 PRESSURE: 172900 0 0 0 0 0 0 0 0 0 GPRESSURE: 172900 0 0 0 0 0 0 0 0 0 PRESSAVG: 172900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172900 0 0 0 0 0 0 0 0 0 TIMING: 172900 CPU: 689.138, 0.00398076/step Wall: 689.138, 0.00398076/step, 0.361696 hours remaining, 109.511719 MB of memory in use. ENERGY: 172900 654.2435 1877.4976 2021.4786 103.0065 -13.4219 -1015.0606 161.0129 0.0000 2803.7064 6592.4631 309.6772 3788.7567 6631.5136 304.9873 PRESSURE: 173000 0 0 0 0 0 0 0 0 0 GPRESSURE: 173000 0 0 0 0 0 0 0 0 0 PRESSAVG: 173000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173000 0 0 0 0 0 0 0 0 0 TIMING: 173000 CPU: 689.536, 0.00397303/step Wall: 689.536, 0.00397303/step, 0.360884 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 173000 645.0543 1897.5317 2014.0285 114.6273 -14.8761 -1039.2432 158.3803 0.0000 2784.3492 6559.8520 307.5391 3775.5028 6596.1915 306.4730 PRESSURE: 173100 0 0 0 0 0 0 0 0 0 GPRESSURE: 173100 0 0 0 0 0 0 0 0 0 PRESSAVG: 173100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173100 0 0 0 0 0 0 0 0 0 TIMING: 173100 CPU: 689.933, 0.00397271/step Wall: 689.933, 0.00397271/step, 0.360744 hours remaining, 109.511719 MB of memory in use. ENERGY: 173100 672.0667 1953.8363 2017.3377 103.3484 -13.9630 -1035.6229 137.1723 0.0000 2787.1219 6621.2974 307.8454 3834.1755 6655.5342 306.3012 PRESSURE: 173200 0 0 0 0 0 0 0 0 0 GPRESSURE: 173200 0 0 0 0 0 0 0 0 0 PRESSAVG: 173200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173200 0 0 0 0 0 0 0 0 0 TIMING: 173200 CPU: 690.331, 0.00398298/step Wall: 690.331, 0.00398298/step, 0.361566 hours remaining, 109.511719 MB of memory in use. ENERGY: 173200 673.7578 1924.9277 1993.0946 104.4685 -13.5330 -1042.1838 161.4866 0.0000 2808.3343 6610.3526 310.1883 3802.0183 6647.5392 307.3906 PRESSURE: 173300 0 0 0 0 0 0 0 0 0 GPRESSURE: 173300 0 0 0 0 0 0 0 0 0 PRESSAVG: 173300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173300 0 0 0 0 0 0 0 0 0 TIMING: 173300 CPU: 690.728, 0.00397182/step Wall: 690.728, 0.00397182/step, 0.360443 hours remaining, 109.511719 MB of memory in use. ENERGY: 173300 661.5804 1945.6326 2003.3544 102.3419 -14.7157 -1051.9377 169.6722 0.0000 2763.7746 6579.7026 305.2666 3815.9281 6613.3361 306.1681 PRESSURE: 173400 0 0 0 0 0 0 0 0 0 GPRESSURE: 173400 0 0 0 0 0 0 0 0 0 PRESSAVG: 173400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173400 0 0 0 0 0 0 0 0 0 TIMING: 173400 CPU: 691.126, 0.00397251/step Wall: 691.126, 0.00397251/step, 0.360395 hours remaining, 109.511719 MB of memory in use. ENERGY: 173400 660.4945 1984.0292 1987.8691 113.2253 -13.9490 -1068.5698 172.0090 0.0000 2740.1526 6575.2608 302.6575 3835.1083 6607.3702 305.8676 PRESSURE: 173500 0 0 0 0 0 0 0 0 0 GPRESSURE: 173500 0 0 0 0 0 0 0 0 0 PRESSAVG: 173500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173500 0 0 0 0 0 0 0 0 0 TIMING: 173500 CPU: 691.524, 0.00398073/step Wall: 691.524, 0.00398073/step, 0.36103 hours remaining, 109.511719 MB of memory in use. ENERGY: 173500 681.0728 1893.9744 2023.0812 97.8268 -14.6766 -1052.4946 164.5612 0.0000 2747.6856 6541.0306 303.4895 3793.3451 6573.0978 304.7378 PRESSURE: 173600 0 0 0 0 0 0 0 0 0 GPRESSURE: 173600 0 0 0 0 0 0 0 0 0 PRESSAVG: 173600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173600 0 0 0 0 0 0 0 0 0 TIMING: 173600 CPU: 691.921, 0.00397253/step Wall: 691.921, 0.00397253/step, 0.360176 hours remaining, 109.511719 MB of memory in use. ENERGY: 173600 623.2697 1935.9408 2011.0934 106.5963 -14.0575 -1038.0168 171.3093 0.0000 2731.7920 6527.9272 301.7340 3796.1352 6563.9456 302.0848 PRESSURE: 173700 0 0 0 0 0 0 0 0 0 GPRESSURE: 173700 0 0 0 0 0 0 0 0 0 PRESSAVG: 173700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173700 0 0 0 0 0 0 0 0 0 TIMING: 173700 CPU: 692.319, 0.00397919/step Wall: 692.319, 0.00397919/step, 0.360669 hours remaining, 109.511719 MB of memory in use. ENERGY: 173700 653.9386 1831.6411 2035.1067 94.9584 -14.2054 -1028.4881 162.2929 0.0000 2775.3171 6510.5612 306.5415 3735.2441 6543.2999 302.5115 PRESSURE: 173800 0 0 0 0 0 0 0 0 0 GPRESSURE: 173800 0 0 0 0 0 0 0 0 0 PRESSAVG: 173800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173800 0 0 0 0 0 0 0 0 0 TIMING: 173800 CPU: 692.716, 0.0039686/step Wall: 692.716, 0.00396859/step, 0.359598 hours remaining, 109.511719 MB of memory in use. ENERGY: 173800 655.0474 1891.3101 2018.2230 100.5072 -13.5262 -1045.4274 164.8862 0.0000 2698.2176 6469.2379 298.0257 3771.0203 6502.4187 299.6902 PRESSURE: 173900 0 0 0 0 0 0 0 0 0 GPRESSURE: 173900 0 0 0 0 0 0 0 0 0 PRESSAVG: 173900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173900 0 0 0 0 0 0 0 0 0 TIMING: 173900 CPU: 693.113, 0.00397099/step Wall: 693.113, 0.003971/step, 0.359706 hours remaining, 109.511719 MB of memory in use. ENERGY: 173900 631.9356 1870.5243 2017.0128 97.8905 -14.7304 -1051.6399 160.2716 0.0000 2720.6880 6431.9526 300.5076 3711.2645 6462.3797 299.1826 PRESSURE: 174000 0 0 0 0 0 0 0 0 0 GPRESSURE: 174000 0 0 0 0 0 0 0 0 0 PRESSAVG: 174000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174000 0 0 0 0 0 0 0 0 0 TIMING: 174000 CPU: 693.511, 0.00398137/step Wall: 693.511, 0.00398137/step, 0.360535 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 174000 664.8371 1852.9186 2021.0911 94.4400 -14.1565 -1061.3127 162.8090 0.0000 2747.5249 6468.1514 303.4718 3720.6265 6501.6481 298.4961 PRESSURE: 174100 0 0 0 0 0 0 0 0 0 GPRESSURE: 174100 0 0 0 0 0 0 0 0 0 PRESSAVG: 174100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174100 0 0 0 0 0 0 0 0 0 TIMING: 174100 CPU: 693.908, 0.00396995/step Wall: 693.908, 0.00396995/step, 0.359391 hours remaining, 109.511719 MB of memory in use. ENERGY: 174100 636.5905 1919.8345 2012.6014 96.2618 -15.0242 -1024.9579 158.1352 0.0000 2701.2074 6484.6488 298.3559 3783.4414 6514.0929 300.6457 PRESSURE: 174200 0 0 0 0 0 0 0 0 0 GPRESSURE: 174200 0 0 0 0 0 0 0 0 0 PRESSAVG: 174200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174200 0 0 0 0 0 0 0 0 0 TIMING: 174200 CPU: 694.306, 0.00398296/step Wall: 694.306, 0.00398296/step, 0.360458 hours remaining, 109.511719 MB of memory in use. ENERGY: 174200 659.1766 1877.8813 1998.4015 117.1405 -15.6561 -1030.3585 159.6298 0.0000 2761.0464 6527.2615 304.9653 3766.2151 6558.5383 300.8402 PRESSURE: 174300 0 0 0 0 0 0 0 0 0 GPRESSURE: 174300 0 0 0 0 0 0 0 0 0 PRESSAVG: 174300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174300 0 0 0 0 0 0 0 0 0 TIMING: 174300 CPU: 694.704, 0.00397214/step Wall: 694.704, 0.00397214/step, 0.359368 hours remaining, 109.511719 MB of memory in use. ENERGY: 174300 657.1910 1923.6990 2020.1136 102.2059 -14.2952 -1054.2275 168.5702 0.0000 2684.3356 6487.5928 296.4923 3803.2571 6520.8366 301.5331 PRESSURE: 174400 0 0 0 0 0 0 0 0 0 GPRESSURE: 174400 0 0 0 0 0 0 0 0 0 PRESSAVG: 174400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174400 0 0 0 0 0 0 0 0 0 TIMING: 174400 CPU: 695.101, 0.00397043/step Wall: 695.101, 0.00397043/step, 0.359103 hours remaining, 109.511719 MB of memory in use. ENERGY: 174400 678.8066 1943.6936 2009.9648 102.3012 -16.1303 -1093.7125 149.5153 0.0000 2706.8991 6481.3379 298.9846 3774.4387 6513.2162 300.8979 PRESSURE: 174500 0 0 0 0 0 0 0 0 0 GPRESSURE: 174500 0 0 0 0 0 0 0 0 0 PRESSAVG: 174500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174500 0 0 0 0 0 0 0 0 0 TIMING: 174500 CPU: 695.499, 0.0039824/step Wall: 695.499, 0.0039824/step, 0.360075 hours remaining, 109.511719 MB of memory in use. ENERGY: 174500 675.3661 1894.3283 1993.7091 101.4200 -14.5704 -1040.7331 151.3288 0.0000 2704.6695 6465.5184 298.7383 3760.8489 6498.0169 301.2040 PRESSURE: 174600 0 0 0 0 0 0 0 0 0 GPRESSURE: 174600 0 0 0 0 0 0 0 0 0 PRESSAVG: 174600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174600 0 0 0 0 0 0 0 0 0 TIMING: 174600 CPU: 695.896, 0.00397017/step Wall: 695.896, 0.00397017/step, 0.358859 hours remaining, 109.511719 MB of memory in use. ENERGY: 174600 677.8923 1868.1235 2010.9817 102.6209 -16.1217 -1051.1204 141.4019 0.0000 2707.7898 6441.5679 299.0829 3733.7782 6473.7145 298.5409 PRESSURE: 174700 0 0 0 0 0 0 0 0 0 GPRESSURE: 174700 0 0 0 0 0 0 0 0 0 PRESSAVG: 174700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174700 0 0 0 0 0 0 0 0 0 TIMING: 174700 CPU: 696.294, 0.00398081/step Wall: 696.294, 0.00398081/step, 0.35971 hours remaining, 109.511719 MB of memory in use. ENERGY: 174700 644.5789 1830.7519 2005.5210 110.7934 -15.0622 -1044.2646 155.2541 0.0000 2727.7825 6415.3551 301.2912 3687.5727 6449.3040 297.2255 PRESSURE: 174800 0 0 0 0 0 0 0 0 0 GPRESSURE: 174800 0 0 0 0 0 0 0 0 0 PRESSAVG: 174800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174800 0 0 0 0 0 0 0 0 0 TIMING: 174800 CPU: 696.691, 0.00397147/step Wall: 696.691, 0.00397147/step, 0.358756 hours remaining, 109.511719 MB of memory in use. ENERGY: 174800 668.8689 1881.7934 2025.4710 107.6308 -14.6865 -1048.7986 171.4626 0.0000 2668.8916 6460.6331 294.7865 3791.7415 6493.3074 296.7887 PRESSURE: 174900 0 0 0 0 0 0 0 0 0 GPRESSURE: 174900 0 0 0 0 0 0 0 0 0 PRESSAVG: 174900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174900 0 0 0 0 0 0 0 0 0 TIMING: 174900 CPU: 697.088, 0.00397228/step Wall: 697.088, 0.00397228/step, 0.358719 hours remaining, 109.511719 MB of memory in use. ENERGY: 174900 641.1907 1847.1266 2005.1898 101.6475 -15.9194 -999.5590 160.9905 0.0000 2730.5103 6471.1769 301.5925 3740.6667 6507.4572 300.9051 PRESSURE: 175000 0 0 0 0 0 0 0 0 0 GPRESSURE: 175000 0 0 0 0 0 0 0 0 0 PRESSAVG: 175000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175000 0 0 0 0 0 0 0 0 0 TIMING: 175000 CPU: 697.486, 0.00398138/step Wall: 697.486, 0.00398138/step, 0.35943 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 175000 640.2908 1909.6876 2004.2177 112.7766 -15.0724 -1053.9836 152.2615 0.0000 2745.5611 6495.7394 303.2549 3750.1783 6527.3075 300.9591 PRESSURE: 175100 0 0 0 0 0 0 0 0 0 GPRESSURE: 175100 0 0 0 0 0 0 0 0 0 PRESSAVG: 175100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175100 0 0 0 0 0 0 0 0 0 TIMING: 175100 CPU: 697.883, 0.00396964/step Wall: 697.883, 0.00396964/step, 0.35826 hours remaining, 109.511719 MB of memory in use. ENERGY: 175100 656.6516 1889.6836 2020.8856 107.1382 -14.0250 -1052.7096 173.1278 0.0000 2757.7527 6538.5049 304.6015 3780.7522 6573.0769 302.4229 PRESSURE: 175200 0 0 0 0 0 0 0 0 0 GPRESSURE: 175200 0 0 0 0 0 0 0 0 0 PRESSAVG: 175200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175200 0 0 0 0 0 0 0 0 0 TIMING: 175200 CPU: 698.282, 0.00398114/step Wall: 698.282, 0.00398114/step, 0.359187 hours remaining, 109.511719 MB of memory in use. ENERGY: 175200 696.3669 1878.8623 2013.7622 114.8108 -14.0061 -1066.6888 179.0597 0.0000 2719.3488 6521.5159 300.3596 3802.1671 6554.6972 302.5720 PRESSURE: 175300 0 0 0 0 0 0 0 0 0 GPRESSURE: 175300 0 0 0 0 0 0 0 0 0 PRESSAVG: 175300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175300 0 0 0 0 0 0 0 0 0 TIMING: 175300 CPU: 698.678, 0.00396896/step Wall: 698.678, 0.00396896/step, 0.357978 hours remaining, 109.511719 MB of memory in use. ENERGY: 175300 658.4517 1921.8042 2026.3829 95.6455 -14.0931 -1081.7567 171.2319 0.0000 2754.3074 6531.9738 304.2209 3777.6664 6566.2767 303.2837 PRESSURE: 175400 0 0 0 0 0 0 0 0 0 GPRESSURE: 175400 0 0 0 0 0 0 0 0 0 PRESSAVG: 175400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175400 0 0 0 0 0 0 0 0 0 TIMING: 175400 CPU: 699.076, 0.00397088/step Wall: 699.076, 0.00397088/step, 0.358041 hours remaining, 109.511719 MB of memory in use. ENERGY: 175400 643.7364 1951.3419 2004.7989 101.8912 -14.9703 -1027.9243 147.5816 0.0000 2761.3845 6567.8400 305.0026 3806.4555 6599.3807 305.2160 PRESSURE: 175500 0 0 0 0 0 0 0 0 0 GPRESSURE: 175500 0 0 0 0 0 0 0 0 0 PRESSAVG: 175500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175500 0 0 0 0 0 0 0 0 0 TIMING: 175500 CPU: 699.474, 0.0039806/step Wall: 699.474, 0.0039806/step, 0.358807 hours remaining, 109.511719 MB of memory in use. ENERGY: 175500 680.1892 1879.3306 2021.3020 103.1198 -14.6625 -1038.6228 179.6199 0.0000 2761.8090 6572.0851 305.0495 3810.2761 6605.3411 304.8079 PRESSURE: 175600 0 0 0 0 0 0 0 0 0 GPRESSURE: 175600 0 0 0 0 0 0 0 0 0 PRESSAVG: 175600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175600 0 0 0 0 0 0 0 0 0 TIMING: 175600 CPU: 699.871, 0.00396993/step Wall: 699.871, 0.00396993/step, 0.357735 hours remaining, 109.511719 MB of memory in use. ENERGY: 175600 646.5018 1919.7538 1993.8268 103.4147 -14.9790 -1015.0008 162.4339 0.0000 2788.7900 6584.7412 308.0296 3795.9512 6619.5599 304.4188 PRESSURE: 175700 0 0 0 0 0 0 0 0 0 GPRESSURE: 175700 0 0 0 0 0 0 0 0 0 PRESSAVG: 175700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175700 0 0 0 0 0 0 0 0 0 TIMING: 175700 CPU: 700.269, 0.00398108/step Wall: 700.269, 0.00398108/step, 0.358629 hours remaining, 109.511719 MB of memory in use. ENERGY: 175700 646.1693 1870.5367 2019.3719 111.9132 -14.9029 -1020.0822 158.2214 0.0000 2765.2453 6536.4728 305.4290 3771.2275 6570.8749 303.9124 PRESSURE: 175800 0 0 0 0 0 0 0 0 0 GPRESSURE: 175800 0 0 0 0 0 0 0 0 0 PRESSAVG: 175800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175800 0 0 0 0 0 0 0 0 0 TIMING: 175800 CPU: 700.666, 0.00397014/step Wall: 700.666, 0.00397014/step, 0.357533 hours remaining, 109.511719 MB of memory in use. ENERGY: 175800 652.0341 1888.9685 2002.9849 101.0671 -15.4688 -1019.3714 163.8437 0.0000 2764.0927 6538.1509 305.3017 3774.0581 6573.3498 303.9271 PRESSURE: 175900 0 0 0 0 0 0 0 0 0 GPRESSURE: 175900 0 0 0 0 0 0 0 0 0 PRESSAVG: 175900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175900 0 0 0 0 0 0 0 0 0 TIMING: 175900 CPU: 701.063, 0.00397057/step Wall: 701.063, 0.00397057/step, 0.357462 hours remaining, 109.511719 MB of memory in use. ENERGY: 175900 645.0878 1914.4747 2007.6127 105.0248 -14.5592 -1074.3418 162.6346 0.0000 2805.6012 6551.5348 309.8865 3745.9336 6590.1115 304.1670 PRESSURE: 176000 0 0 0 0 0 0 0 0 0 GPRESSURE: 176000 0 0 0 0 0 0 0 0 0 PRESSAVG: 176000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176000 0 0 0 0 0 0 0 0 0 TIMING: 176000 CPU: 701.461, 0.00398094/step Wall: 701.461, 0.00398094/step, 0.358285 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 176000 698.1029 1881.1468 2029.6024 103.8070 -15.1617 -1029.8926 159.4471 0.0000 2718.0794 6545.1314 300.2194 3827.0520 6578.6768 302.5364 PRESSURE: 176100 0 0 0 0 0 0 0 0 0 GPRESSURE: 176100 0 0 0 0 0 0 0 0 0 PRESSAVG: 176100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176100 0 0 0 0 0 0 0 0 0 TIMING: 176100 CPU: 701.858, 0.00397118/step Wall: 701.858, 0.00397118/step, 0.357296 hours remaining, 109.511719 MB of memory in use. ENERGY: 176100 628.6000 1879.5203 2009.0861 106.3524 -14.8556 -1030.1909 179.6514 0.0000 2798.0342 6556.1979 309.0507 3758.1636 6591.6617 304.6331 PRESSURE: 176200 0 0 0 0 0 0 0 0 0 GPRESSURE: 176200 0 0 0 0 0 0 0 0 0 PRESSAVG: 176200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176200 0 0 0 0 0 0 0 0 0 TIMING: 176200 CPU: 702.256, 0.00398065/step Wall: 702.256, 0.00398065/step, 0.358037 hours remaining, 109.511719 MB of memory in use. ENERGY: 176200 656.4459 1890.5296 2068.6527 109.5293 -13.5677 -1059.3881 159.6298 0.0000 2742.8822 6554.7139 302.9590 3811.8317 6585.8931 304.9613 LDB: ============= START OF LOAD BALANCING ============== 705.031 LDB: ============== END OF LOAD BALANCING =============== 705.031 LDB: =============== DONE WITH MIGRATION ================ 705.031 PRESSURE: 176300 0 0 0 0 0 0 0 0 0 GPRESSURE: 176300 0 0 0 0 0 0 0 0 0 PRESSAVG: 176300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176300 0 0 0 0 0 0 0 0 0 TIMING: 176300 CPU: 702.653, 0.00397274/step Wall: 702.653, 0.00397274/step, 0.357215 hours remaining, 109.511719 MB of memory in use. ENERGY: 176300 631.4969 1916.2839 2013.0986 117.7379 -15.2610 -1043.4119 176.0579 0.0000 2740.9873 6536.9895 302.7497 3796.0022 6570.0997 302.0380 LDB: ============= START OF LOAD BALANCING ============== 705.429 LDB: ============== END OF LOAD BALANCING =============== 705.429 LDB: =============== DONE WITH MIGRATION ================ 705.429 PRESSURE: 176400 0 0 0 0 0 0 0 0 0 GPRESSURE: 176400 0 0 0 0 0 0 0 0 0 PRESSAVG: 176400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176400 0 0 0 0 0 0 0 0 0 TIMING: 176400 CPU: 703.051, 0.0039783/step Wall: 703.051, 0.00397829/step, 0.357604 hours remaining, 109.511719 MB of memory in use. ENERGY: 176400 631.3697 1896.3331 1988.9687 106.8171 -14.2560 -1020.5183 156.8701 0.0000 2762.6010 6508.1854 305.1370 3745.5844 6540.4493 303.3427 PRESSURE: 176500 0 0 0 0 0 0 0 0 0 GPRESSURE: 176500 0 0 0 0 0 0 0 0 0 PRESSAVG: 176500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176500 0 0 0 0 0 0 0 0 0 TIMING: 176500 CPU: 703.449, 0.00398324/step Wall: 703.449, 0.00398325/step, 0.357939 hours remaining, 109.511719 MB of memory in use. ENERGY: 176500 685.0852 1820.8701 2004.8338 103.4186 -15.5648 -1058.6965 158.6974 0.0000 2789.2030 6487.8467 308.0752 3698.6437 6520.5571 301.0570 PRESSURE: 176600 0 0 0 0 0 0 0 0 0 GPRESSURE: 176600 0 0 0 0 0 0 0 0 0 PRESSAVG: 176600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176600 0 0 0 0 0 0 0 0 0 TIMING: 176600 CPU: 703.847, 0.00397129/step Wall: 703.847, 0.00397129/step, 0.356754 hours remaining, 109.511719 MB of memory in use. ENERGY: 176600 700.4986 1829.0443 2050.6623 116.4595 -14.5875 -1037.8806 165.7577 0.0000 2710.2318 6520.1862 299.3527 3809.9544 6554.5781 301.9557 PRESSURE: 176700 0 0 0 0 0 0 0 0 0 GPRESSURE: 176700 0 0 0 0 0 0 0 0 0 PRESSAVG: 176700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176700 0 0 0 0 0 0 0 0 0 TIMING: 176700 CPU: 704.245, 0.00398124/step Wall: 704.245, 0.00398124/step, 0.357537 hours remaining, 109.511719 MB of memory in use. ENERGY: 176700 716.8202 1910.1013 2016.2143 98.0435 -15.4453 -1047.5246 149.1668 0.0000 2699.4951 6526.8713 298.1668 3827.3762 6560.2024 303.1995 PRESSURE: 176800 0 0 0 0 0 0 0 0 0 GPRESSURE: 176800 0 0 0 0 0 0 0 0 0 PRESSAVG: 176800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176800 0 0 0 0 0 0 0 0 0 TIMING: 176800 CPU: 704.642, 0.00397328/step Wall: 704.642, 0.00397328/step, 0.356712 hours remaining, 109.511719 MB of memory in use. ENERGY: 176800 677.1683 1875.1976 2026.2237 101.6956 -15.6248 -1015.3432 162.9519 0.0000 2722.4556 6534.7246 300.7028 3812.2690 6567.5479 302.6503 PRESSURE: 176900 0 0 0 0 0 0 0 0 0 GPRESSURE: 176900 0 0 0 0 0 0 0 0 0 PRESSAVG: 176900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176900 0 0 0 0 0 0 0 0 0 TIMING: 176900 CPU: 705.039, 0.00396974/step Wall: 705.039, 0.00396974/step, 0.356284 hours remaining, 109.511719 MB of memory in use. ENERGY: 176900 666.9336 1897.9923 2020.6158 103.7311 -14.5294 -1049.2754 157.8827 0.0000 2720.0694 6503.4203 300.4392 3783.3508 6538.4702 302.7307 PRESSURE: 177000 0 0 0 0 0 0 0 0 0 GPRESSURE: 177000 0 0 0 0 0 0 0 0 0 PRESSAVG: 177000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177000 0 0 0 0 0 0 0 0 0 TIMING: 177000 CPU: 705.437, 0.0039794/step Wall: 705.437, 0.0039794/step, 0.357041 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 177000 672.6087 1920.6187 1997.3152 108.9961 -15.7280 -1063.5043 158.3239 0.0000 2736.8953 6515.5257 302.2977 3778.6304 6548.1079 302.1256 PRESSURE: 177100 0 0 0 0 0 0 0 0 0 GPRESSURE: 177100 0 0 0 0 0 0 0 0 0 PRESSAVG: 177100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177100 0 0 0 0 0 0 0 0 0 TIMING: 177100 CPU: 705.834, 0.00397096/step Wall: 705.834, 0.00397096/step, 0.356173 hours remaining, 109.511719 MB of memory in use. ENERGY: 177100 649.9881 1919.0932 2010.8435 97.3439 -13.9629 -1038.3625 183.0088 0.0000 2751.9718 6559.9239 303.9629 3807.9522 6594.2274 303.5149 PRESSURE: 177200 0 0 0 0 0 0 0 0 0 GPRESSURE: 177200 0 0 0 0 0 0 0 0 0 PRESSAVG: 177200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177200 0 0 0 0 0 0 0 0 0 TIMING: 177200 CPU: 706.232, 0.00397861/step Wall: 706.232, 0.00397861/step, 0.356749 hours remaining, 109.511719 MB of memory in use. ENERGY: 177200 662.8261 1911.0072 2045.1362 106.1955 -14.5381 -1049.8296 156.9121 0.0000 2730.8711 6548.5806 301.6323 3817.7095 6583.0648 304.9366 PRESSURE: 177300 0 0 0 0 0 0 0 0 0 GPRESSURE: 177300 0 0 0 0 0 0 0 0 0 PRESSAVG: 177300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177300 0 0 0 0 0 0 0 0 0 TIMING: 177300 CPU: 706.629, 0.00397171/step Wall: 706.629, 0.00397171/step, 0.35602 hours remaining, 109.511719 MB of memory in use. ENERGY: 177300 631.6598 1937.7616 2017.2133 95.9799 -15.9874 -1076.3895 155.8066 0.0000 2821.6022 6567.6466 311.6538 3746.0443 6602.1096 304.7748 PRESSURE: 177400 0 0 0 0 0 0 0 0 0 GPRESSURE: 177400 0 0 0 0 0 0 0 0 0 PRESSAVG: 177400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177400 0 0 0 0 0 0 0 0 0 TIMING: 177400 CPU: 707.026, 0.00396942/step Wall: 707.026, 0.00396942/step, 0.355704 hours remaining, 109.511719 MB of memory in use. ENERGY: 177400 654.8695 1803.6773 2035.8124 120.2063 -15.0387 -1027.2553 163.7023 0.0000 2819.1703 6555.1441 311.3852 3735.9738 6591.2110 305.8913 PRESSURE: 177500 0 0 0 0 0 0 0 0 0 GPRESSURE: 177500 0 0 0 0 0 0 0 0 0 PRESSAVG: 177500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177500 0 0 0 0 0 0 0 0 0 TIMING: 177500 CPU: 707.424, 0.00397983/step Wall: 707.424, 0.00397983/step, 0.356527 hours remaining, 109.511719 MB of memory in use. ENERGY: 177500 629.5441 1875.8870 2036.4254 114.3325 -16.0659 -994.1910 157.2454 0.0000 2717.9914 6521.1689 300.2097 3803.1775 6554.0916 302.4770 PRESSURE: 177600 0 0 0 0 0 0 0 0 0 GPRESSURE: 177600 0 0 0 0 0 0 0 0 0 PRESSAVG: 177600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177600 0 0 0 0 0 0 0 0 0 TIMING: 177600 CPU: 707.821, 0.00396958/step Wall: 707.821, 0.00396958/step, 0.355498 hours remaining, 109.511719 MB of memory in use. ENERGY: 177600 656.7909 1893.1038 1999.0679 100.6921 -14.2363 -1043.5523 165.8284 0.0000 2712.9992 6470.6938 299.6583 3757.6946 6504.5483 301.0163 PRESSURE: 177700 0 0 0 0 0 0 0 0 0 GPRESSURE: 177700 0 0 0 0 0 0 0 0 0 PRESSAVG: 177700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177700 0 0 0 0 0 0 0 0 0 TIMING: 177700 CPU: 708.219, 0.00398362/step Wall: 708.219, 0.00398362/step, 0.356645 hours remaining, 109.511719 MB of memory in use. ENERGY: 177700 634.1378 1934.6052 2004.5265 109.5740 -16.1421 -1022.8884 155.3817 0.0000 2686.5707 6485.7654 296.7392 3799.1946 6512.5629 298.8185 PRESSURE: 177800 0 0 0 0 0 0 0 0 0 GPRESSURE: 177800 0 0 0 0 0 0 0 0 0 PRESSAVG: 177800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177800 0 0 0 0 0 0 0 0 0 TIMING: 177800 CPU: 708.616, 0.00397035/step Wall: 708.616, 0.00397035/step, 0.355346 hours remaining, 109.511719 MB of memory in use. ENERGY: 177800 605.3646 1887.2204 2021.5433 100.4691 -14.1870 -1041.9971 166.9614 0.0000 2737.0275 6462.4022 302.3123 3725.3746 6498.3799 301.2253 PRESSURE: 177900 0 0 0 0 0 0 0 0 0 GPRESSURE: 177900 0 0 0 0 0 0 0 0 0 PRESSAVG: 177900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177900 0 0 0 0 0 0 0 0 0 TIMING: 177900 CPU: 709.013, 0.00396749/step Wall: 709.013, 0.00396749/step, 0.35498 hours remaining, 109.511719 MB of memory in use. ENERGY: 177900 627.2327 1878.1252 2017.7833 101.4093 -14.3162 -1044.9955 165.3960 0.0000 2757.4601 6488.0948 304.5691 3730.6347 6525.6901 299.3581 PRESSURE: 178000 0 0 0 0 0 0 0 0 0 GPRESSURE: 178000 0 0 0 0 0 0 0 0 0 PRESSAVG: 178000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178000 0 0 0 0 0 0 0 0 0 TIMING: 178000 CPU: 709.411, 0.00398025/step Wall: 709.411, 0.00398025/step, 0.356011 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 178000 653.1023 1879.4299 2023.3514 112.2107 -15.5163 -998.7463 166.3285 0.0000 2690.2094 6510.3695 297.1411 3820.1601 6539.7355 300.2462 PRESSURE: 178100 0 0 0 0 0 0 0 0 0 GPRESSURE: 178100 0 0 0 0 0 0 0 0 0 PRESSAVG: 178100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178100 0 0 0 0 0 0 0 0 0 TIMING: 178100 CPU: 709.808, 0.00397071/step Wall: 709.808, 0.00397071/step, 0.355048 hours remaining, 109.511719 MB of memory in use. ENERGY: 178100 655.9273 1874.5274 2007.8401 107.4648 -15.2848 -1052.8824 160.4566 0.0000 2822.1501 6560.1992 311.7143 3738.0491 6592.9479 302.5775 PRESSURE: 178200 0 0 0 0 0 0 0 0 0 GPRESSURE: 178200 0 0 0 0 0 0 0 0 0 PRESSAVG: 178200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178200 0 0 0 0 0 0 0 0 0 TIMING: 178200 CPU: 710.206, 0.00397929/step Wall: 710.206, 0.00397929/step, 0.355704 hours remaining, 109.511719 MB of memory in use. ENERGY: 178200 635.2329 1880.7957 2053.4800 125.5710 -16.2180 -1030.7594 169.8135 0.0000 2751.7492 6569.6650 303.9384 3817.9158 6602.0377 304.8241 PRESSURE: 178300 0 0 0 0 0 0 0 0 0 GPRESSURE: 178300 0 0 0 0 0 0 0 0 0 PRESSAVG: 178300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178300 0 0 0 0 0 0 0 0 0 TIMING: 178300 CPU: 710.603, 0.00397336/step Wall: 710.603, 0.00397336/step, 0.355064 hours remaining, 109.511719 MB of memory in use. ENERGY: 178300 637.4797 1875.2458 2024.1082 109.1720 -16.1205 -1055.0139 153.2578 0.0000 2770.5591 6498.6881 306.0160 3728.1290 6530.8922 301.6115 PRESSURE: 178400 0 0 0 0 0 0 0 0 0 GPRESSURE: 178400 0 0 0 0 0 0 0 0 0 PRESSAVG: 178400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178400 0 0 0 0 0 0 0 0 0 TIMING: 178400 CPU: 711.001, 0.00397128/step Wall: 711.001, 0.00397128/step, 0.354768 hours remaining, 109.511719 MB of memory in use. ENERGY: 178400 692.8972 1844.4558 2011.1414 117.3864 -16.2478 -1043.6279 163.4927 0.0000 2744.3412 6513.8390 303.1201 3769.4978 6547.5091 302.6267 PRESSURE: 178500 0 0 0 0 0 0 0 0 0 GPRESSURE: 178500 0 0 0 0 0 0 0 0 0 PRESSAVG: 178500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178500 0 0 0 0 0 0 0 0 0 TIMING: 178500 CPU: 711.401, 0.00400283/step Wall: 711.401, 0.00400283/step, 0.357475 hours remaining, 109.511719 MB of memory in use. ENERGY: 178500 652.4931 1858.4915 2035.9535 94.2930 -16.0768 -1033.3842 163.8686 0.0000 2724.4228 6480.0616 300.9201 3755.6388 6512.5574 300.4071 PRESSURE: 178600 0 0 0 0 0 0 0 0 0 GPRESSURE: 178600 0 0 0 0 0 0 0 0 0 PRESSAVG: 178600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178600 0 0 0 0 0 0 0 0 0 TIMING: 178600 CPU: 711.798, 0.00397043/step Wall: 711.798, 0.00397043/step, 0.354471 hours remaining, 109.511719 MB of memory in use. ENERGY: 178600 635.3017 1854.0351 2028.1119 109.3226 -14.4694 -1030.9816 171.7240 0.0000 2726.7295 6479.7738 301.1749 3753.0443 6514.8680 298.9662 PRESSURE: 178700 0 0 0 0 0 0 0 0 0 GPRESSURE: 178700 0 0 0 0 0 0 0 0 0 PRESSAVG: 178700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178700 0 0 0 0 0 0 0 0 0 TIMING: 178700 CPU: 712.196, 0.00398119/step Wall: 712.196, 0.00398119/step, 0.355321 hours remaining, 109.511719 MB of memory in use. ENERGY: 178700 631.6387 1944.3145 2012.7789 101.3124 -16.1714 -1067.3864 162.2191 0.0000 2696.2702 6464.9760 297.8106 3768.7057 6497.2437 299.6409 PRESSURE: 178800 0 0 0 0 0 0 0 0 0 GPRESSURE: 178800 0 0 0 0 0 0 0 0 0 PRESSAVG: 178800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178800 0 0 0 0 0 0 0 0 0 TIMING: 178800 CPU: 712.593, 0.00397188/step Wall: 712.593, 0.00397188/step, 0.35438 hours remaining, 109.511719 MB of memory in use. ENERGY: 178800 627.9728 1942.9636 2017.2114 89.5583 -14.8718 -1058.2710 169.4230 0.0000 2686.6643 6460.6507 296.7496 3773.9864 6492.7411 298.8403 PRESSURE: 178900 0 0 0 0 0 0 0 0 0 GPRESSURE: 178900 0 0 0 0 0 0 0 0 0 PRESSAVG: 178900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178900 0 0 0 0 0 0 0 0 0 TIMING: 178900 CPU: 712.99, 0.00396994/step Wall: 712.99, 0.00396994/step, 0.354097 hours remaining, 109.511719 MB of memory in use. ENERGY: 178900 639.5278 1895.1930 2001.8665 104.6064 -15.5640 -1009.0318 141.3099 0.0000 2664.7614 6422.6691 294.3303 3757.9077 6456.4727 297.9809 PRESSURE: 179000 0 0 0 0 0 0 0 0 0 GPRESSURE: 179000 0 0 0 0 0 0 0 0 0 PRESSAVG: 179000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179000 0 0 0 0 0 0 0 0 0 TIMING: 179000 CPU: 713.389, 0.00398296/step Wall: 713.389, 0.00398296/step, 0.355147 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 179000 630.5493 1853.0410 2017.9771 101.6112 -14.5743 -1022.4816 158.5145 0.0000 2668.3097 6392.9467 294.7222 3724.6371 6424.5467 296.3342 PRESSURE: 179100 0 0 0 0 0 0 0 0 0 GPRESSURE: 179100 0 0 0 0 0 0 0 0 0 PRESSAVG: 179100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179100 0 0 0 0 0 0 0 0 0 TIMING: 179100 CPU: 713.786, 0.0039712/step Wall: 713.786, 0.00397119/step, 0.353988 hours remaining, 109.511719 MB of memory in use. ENERGY: 179100 672.2181 1879.1855 2014.6328 102.3664 -15.2131 -1061.3906 168.2667 0.0000 2687.6020 6447.6677 296.8531 3760.0658 6476.8688 295.8606 PRESSURE: 179200 0 0 0 0 0 0 0 0 0 GPRESSURE: 179200 0 0 0 0 0 0 0 0 0 PRESSAVG: 179200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179200 0 0 0 0 0 0 0 0 0 TIMING: 179200 CPU: 714.183, 0.00397791/step Wall: 714.183, 0.00397792/step, 0.354477 hours remaining, 109.511719 MB of memory in use. ENERGY: 179200 667.2561 1915.9537 2013.3149 100.3539 -15.9704 -1038.0227 158.0066 0.0000 2678.6596 6479.5516 295.8654 3800.8921 6511.1280 300.9936 PRESSURE: 179300 0 0 0 0 0 0 0 0 0 GPRESSURE: 179300 0 0 0 0 0 0 0 0 0 PRESSAVG: 179300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179300 0 0 0 0 0 0 0 0 0 TIMING: 179300 CPU: 714.581, 0.00397764/step Wall: 714.581, 0.00397764/step, 0.354341 hours remaining, 109.511719 MB of memory in use. ENERGY: 179300 631.6763 1902.1958 2034.0771 94.7301 -14.9404 -1025.1601 158.8028 0.0000 2714.8645 6496.2462 299.8643 3781.3817 6528.8751 301.3265 PRESSURE: 179400 0 0 0 0 0 0 0 0 0 GPRESSURE: 179400 0 0 0 0 0 0 0 0 0 PRESSAVG: 179400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179400 0 0 0 0 0 0 0 0 0 TIMING: 179400 CPU: 714.978, 0.00397186/step Wall: 714.978, 0.00397186/step, 0.353716 hours remaining, 109.511719 MB of memory in use. ENERGY: 179400 651.4332 1860.4224 2014.8730 116.7862 -15.1421 -1058.4187 162.0450 0.0000 2781.6231 6513.6220 307.2380 3731.9989 6547.2506 301.5310 PRESSURE: 179500 0 0 0 0 0 0 0 0 0 GPRESSURE: 179500 0 0 0 0 0 0 0 0 0 PRESSAVG: 179500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179500 0 0 0 0 0 0 0 0 0 TIMING: 179500 CPU: 715.377, 0.0039839/step Wall: 715.377, 0.0039839/step, 0.354678 hours remaining, 109.511719 MB of memory in use. ENERGY: 179500 697.8396 1871.8320 2004.1439 101.0271 -15.5080 -1058.8242 166.7650 0.0000 2726.8638 6494.1392 301.1897 3767.2754 6525.1948 301.5511 PRESSURE: 179600 0 0 0 0 0 0 0 0 0 GPRESSURE: 179600 0 0 0 0 0 0 0 0 0 PRESSAVG: 179600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179600 0 0 0 0 0 0 0 0 0 TIMING: 179600 CPU: 715.774, 0.0039706/step Wall: 715.774, 0.0039706/step, 0.353384 hours remaining, 109.511719 MB of memory in use. ENERGY: 179600 686.0661 1877.3857 2022.9536 107.5789 -15.4297 -1027.1070 154.9367 0.0000 2728.0937 6534.4781 301.3255 3806.3844 6567.0200 301.6846 PRESSURE: 179700 0 0 0 0 0 0 0 0 0 GPRESSURE: 179700 0 0 0 0 0 0 0 0 0 PRESSAVG: 179700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179700 0 0 0 0 0 0 0 0 0 TIMING: 179700 CPU: 716.171, 0.00397237/step Wall: 716.171, 0.00397237/step, 0.35343 hours remaining, 109.511719 MB of memory in use. ENERGY: 179700 624.5242 1870.1214 2013.5165 100.3568 -15.7427 -1028.6645 149.7616 0.0000 2822.3655 6536.2388 311.7381 3713.8733 6571.1997 303.1733 PRESSURE: 179800 0 0 0 0 0 0 0 0 0 GPRESSURE: 179800 0 0 0 0 0 0 0 0 0 PRESSAVG: 179800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179800 0 0 0 0 0 0 0 0 0 TIMING: 179800 CPU: 716.569, 0.00397967/step Wall: 716.569, 0.00397967/step, 0.35397 hours remaining, 109.511719 MB of memory in use. ENERGY: 179800 635.8439 1933.4145 2019.1671 100.1771 -14.5620 -1021.8103 179.2594 0.0000 2731.3188 6562.8086 301.6818 3831.4898 6594.8933 303.1373 PRESSURE: 179900 0 0 0 0 0 0 0 0 0 GPRESSURE: 179900 0 0 0 0 0 0 0 0 0 PRESSAVG: 179900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179900 0 0 0 0 0 0 0 0 0 TIMING: 179900 CPU: 716.966, 0.00397251/step Wall: 716.966, 0.00397251/step, 0.353222 hours remaining, 109.511719 MB of memory in use. ENERGY: 179900 670.9044 1868.5450 2024.2588 97.0554 -15.9141 -1042.1962 166.3538 0.0000 2768.8832 6537.8904 305.8309 3769.0072 6572.2922 304.4852 PRESSURE: 180000 0 0 0 0 0 0 0 0 0 GPRESSURE: 180000 0 0 0 0 0 0 0 0 0 PRESSAVG: 180000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180000 0 0 0 0 0 0 0 0 0 TIMING: 180000 CPU: 717.365, 0.00398682/step Wall: 717.365, 0.00398682/step, 0.354384 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 180000 625.4485 1954.8660 2011.7578 98.1364 -14.7378 -1016.9160 149.6618 0.0000 2716.7975 6525.0143 300.0779 3808.2168 6555.4067 301.4312 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 180000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 180000 WRITING COORDINATES TO RESTART FILE AT STEP 180000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 180000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 180100 0 0 0 0 0 0 0 0 0 GPRESSURE: 180100 0 0 0 0 0 0 0 0 0 PRESSAVG: 180100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180100 0 0 0 0 0 0 0 0 0 TIMING: 180100 CPU: 717.802, 0.00437291/step Wall: 717.802, 0.00437291/step, 0.388582 hours remaining, 109.511719 MB of memory in use. ENERGY: 180100 652.7500 1866.2111 2033.8148 107.6240 -13.5076 -1062.1107 159.4304 0.0000 2758.6464 6502.8584 304.7002 3744.2121 6536.7740 301.5509 PRESSURE: 180200 0 0 0 0 0 0 0 0 0 GPRESSURE: 180200 0 0 0 0 0 0 0 0 0 PRESSAVG: 180200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180200 0 0 0 0 0 0 0 0 0 TIMING: 180200 CPU: 718.2, 0.00397615/step Wall: 718.2, 0.00397615/step, 0.353215 hours remaining, 109.511719 MB of memory in use. ENERGY: 180200 655.0173 1904.4549 2018.9840 121.0202 -14.2500 -1058.4446 167.7599 0.0000 2699.0009 6493.5426 298.1122 3794.5416 6530.2736 300.8895 LDB: ============= START OF LOAD BALANCING ============== 720.975 LDB: ============== END OF LOAD BALANCING =============== 720.975 LDB: =============== DONE WITH MIGRATION ================ 720.975 PRESSURE: 180300 0 0 0 0 0 0 0 0 0 GPRESSURE: 180300 0 0 0 0 0 0 0 0 0 PRESSAVG: 180300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180300 0 0 0 0 0 0 0 0 0 TIMING: 180300 CPU: 718.597, 0.00397286/step Wall: 718.597, 0.00397286/step, 0.352812 hours remaining, 109.511719 MB of memory in use. ENERGY: 180300 640.0387 1930.9376 2003.6865 102.0438 -14.4922 -1014.3494 162.7758 0.0000 2708.0338 6518.6747 299.1099 3810.6408 6550.8349 300.0129 LDB: ============= START OF LOAD BALANCING ============== 721.373 LDB: ============== END OF LOAD BALANCING =============== 721.373 LDB: =============== DONE WITH MIGRATION ================ 721.373 PRESSURE: 180400 0 0 0 0 0 0 0 0 0 GPRESSURE: 180400 0 0 0 0 0 0 0 0 0 PRESSAVG: 180400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180400 0 0 0 0 0 0 0 0 0 TIMING: 180400 CPU: 718.995, 0.00398129/step Wall: 718.995, 0.00398129/step, 0.35345 hours remaining, 109.511719 MB of memory in use. ENERGY: 180400 635.8207 1899.5726 2012.9505 107.9335 -14.8387 -1033.9924 162.5457 0.0000 2708.1278 6478.1197 299.1203 3769.9919 6514.4237 299.6439 PRESSURE: 180500 0 0 0 0 0 0 0 0 0 GPRESSURE: 180500 0 0 0 0 0 0 0 0 0 PRESSAVG: 180500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180500 0 0 0 0 0 0 0 0 0 TIMING: 180500 CPU: 719.393, 0.00398151/step Wall: 719.393, 0.00398151/step, 0.353359 hours remaining, 109.511719 MB of memory in use. ENERGY: 180500 598.0203 1918.2779 2023.1111 111.1201 -14.6024 -1025.4654 167.9919 0.0000 2710.1091 6488.5626 299.3391 3778.4535 6521.1154 300.0427 PRESSURE: 180600 0 0 0 0 0 0 0 0 0 GPRESSURE: 180600 0 0 0 0 0 0 0 0 0 PRESSAVG: 180600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180600 0 0 0 0 0 0 0 0 0 TIMING: 180600 CPU: 719.791, 0.00397182/step Wall: 719.791, 0.00397182/step, 0.352389 hours remaining, 109.511719 MB of memory in use. ENERGY: 180600 693.1192 1909.9377 2035.4613 112.0313 -15.2484 -1066.5989 161.6117 0.0000 2702.1693 6532.4833 298.4621 3830.3140 6562.8978 300.1695 PRESSURE: 180700 0 0 0 0 0 0 0 0 0 GPRESSURE: 180700 0 0 0 0 0 0 0 0 0 PRESSAVG: 180700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180700 0 0 0 0 0 0 0 0 0 TIMING: 180700 CPU: 720.188, 0.00397365/step Wall: 720.188, 0.00397365/step, 0.352441 hours remaining, 109.511719 MB of memory in use. ENERGY: 180700 692.2088 1867.7769 2031.1929 101.3195 -15.4234 -1075.0474 168.3800 0.0000 2736.6912 6507.0984 302.2752 3770.4073 6541.4537 302.0927 PRESSURE: 180800 0 0 0 0 0 0 0 0 0 GPRESSURE: 180800 0 0 0 0 0 0 0 0 0 PRESSAVG: 180800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180800 0 0 0 0 0 0 0 0 0 TIMING: 180800 CPU: 720.586, 0.00397831/step Wall: 720.586, 0.00397831/step, 0.352743 hours remaining, 109.511719 MB of memory in use. ENERGY: 180800 646.9238 1908.4401 2009.0064 106.7742 -14.8171 -1042.0085 157.5940 0.0000 2726.8476 6498.7605 301.1879 3771.9129 6534.0219 300.2940 PRESSURE: 180900 0 0 0 0 0 0 0 0 0 GPRESSURE: 180900 0 0 0 0 0 0 0 0 0 PRESSAVG: 180900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180900 0 0 0 0 0 0 0 0 0 TIMING: 180900 CPU: 720.983, 0.0039693/step Wall: 720.983, 0.0039693/step, 0.351834 hours remaining, 109.511719 MB of memory in use. ENERGY: 180900 687.3528 1883.6728 2006.8917 104.4961 -14.3661 -1067.8748 149.9261 0.0000 2762.2116 6512.3102 305.0940 3750.0986 6547.5894 301.9607 PRESSURE: 181000 0 0 0 0 0 0 0 0 0 GPRESSURE: 181000 0 0 0 0 0 0 0 0 0 PRESSAVG: 181000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181000 0 0 0 0 0 0 0 0 0 TIMING: 181000 CPU: 721.381, 0.00398112/step Wall: 721.381, 0.00398112/step, 0.352772 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 181000 636.3152 1898.3652 1990.9785 112.7051 -15.1890 -1051.0793 152.5443 0.0000 2779.3985 6504.0385 306.9923 3724.6400 6540.2324 302.6648 PRESSURE: 181100 0 0 0 0 0 0 0 0 0 GPRESSURE: 181100 0 0 0 0 0 0 0 0 0 PRESSAVG: 181100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181100 0 0 0 0 0 0 0 0 0 TIMING: 181100 CPU: 721.778, 0.00397132/step Wall: 721.778, 0.00397132/step, 0.351793 hours remaining, 109.511719 MB of memory in use. ENERGY: 181100 663.5138 1855.3371 2023.7007 109.9898 -13.9317 -1031.0541 169.4160 0.0000 2709.6087 6486.5804 299.2838 3776.9716 6520.4018 300.8430 PRESSURE: 181200 0 0 0 0 0 0 0 0 0 GPRESSURE: 181200 0 0 0 0 0 0 0 0 0 PRESSAVG: 181200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181200 0 0 0 0 0 0 0 0 0 TIMING: 181200 CPU: 722.175, 0.0039722/step Wall: 722.175, 0.0039722/step, 0.35176 hours remaining, 109.511719 MB of memory in use. ENERGY: 181200 654.6646 1938.4235 2016.7611 99.4736 -13.9377 -1092.2268 164.7098 0.0000 2697.9011 6465.7691 297.9907 3767.8681 6500.5149 299.2846 PRESSURE: 181300 0 0 0 0 0 0 0 0 0 GPRESSURE: 181300 0 0 0 0 0 0 0 0 0 PRESSAVG: 181300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181300 0 0 0 0 0 0 0 0 0 TIMING: 181300 CPU: 722.573, 0.00397724/step Wall: 722.573, 0.00397724/step, 0.352096 hours remaining, 109.511719 MB of memory in use. ENERGY: 181300 646.0858 1901.1134 1975.3077 105.8962 -15.0751 -1055.7772 157.3859 0.0000 2749.7803 6464.7170 303.7209 3714.9367 6497.0733 299.4565 PRESSURE: 181400 0 0 0 0 0 0 0 0 0 GPRESSURE: 181400 0 0 0 0 0 0 0 0 0 PRESSAVG: 181400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181400 0 0 0 0 0 0 0 0 0 TIMING: 181400 CPU: 722.97, 0.00397148/step Wall: 722.97, 0.00397148/step, 0.351476 hours remaining, 109.511719 MB of memory in use. ENERGY: 181400 663.1604 1906.8566 1994.1026 107.2754 -15.7070 -1078.3917 173.2591 0.0000 2748.9572 6499.5127 303.6300 3750.5554 6531.6075 300.1273 PRESSURE: 181500 0 0 0 0 0 0 0 0 0 GPRESSURE: 181500 0 0 0 0 0 0 0 0 0 PRESSAVG: 181500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181500 0 0 0 0 0 0 0 0 0 TIMING: 181500 CPU: 723.368, 0.00398202/step Wall: 723.368, 0.00398202/step, 0.352298 hours remaining, 109.511719 MB of memory in use. ENERGY: 181500 622.3230 1921.0183 1988.2905 102.3224 -15.0222 -1058.6090 161.0084 0.0000 2754.8639 6476.1952 304.2824 3721.3313 6510.9780 300.9816 PRESSURE: 181600 0 0 0 0 0 0 0 0 0 GPRESSURE: 181600 0 0 0 0 0 0 0 0 0 PRESSAVG: 181600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181600 0 0 0 0 0 0 0 0 0 TIMING: 181600 CPU: 723.765, 0.00397182/step Wall: 723.765, 0.00397182/step, 0.351285 hours remaining, 109.511719 MB of memory in use. ENERGY: 181600 630.3200 1899.9639 2004.2773 96.4297 -14.9105 -1047.8811 154.3027 0.0000 2728.6853 6451.1873 301.3909 3722.5020 6484.3677 299.7392 PRESSURE: 181700 0 0 0 0 0 0 0 0 0 GPRESSURE: 181700 0 0 0 0 0 0 0 0 0 PRESSAVG: 181700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181700 0 0 0 0 0 0 0 0 0 TIMING: 181700 CPU: 724.163, 0.00397158/step Wall: 724.163, 0.00397158/step, 0.351154 hours remaining, 109.511719 MB of memory in use. ENERGY: 181700 674.7865 1912.8897 2030.9426 112.6049 -15.1844 -1015.5189 158.6829 0.0000 2636.5688 6495.7722 291.2164 3859.2034 6525.9902 299.2697 PRESSURE: 181800 0 0 0 0 0 0 0 0 0 GPRESSURE: 181800 0 0 0 0 0 0 0 0 0 PRESSAVG: 181800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181800 0 0 0 0 0 0 0 0 0 TIMING: 181800 CPU: 724.561, 0.00397901/step Wall: 724.561, 0.00397901/step, 0.3517 hours remaining, 109.511719 MB of memory in use. ENERGY: 181800 653.5799 1932.2075 2019.2221 104.7190 -15.5361 -1019.5142 150.0901 0.0000 2694.5446 6519.3129 297.6200 3824.7683 6550.6281 300.7130 PRESSURE: 181900 0 0 0 0 0 0 0 0 0 GPRESSURE: 181900 0 0 0 0 0 0 0 0 0 PRESSAVG: 181900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181900 0 0 0 0 0 0 0 0 0 TIMING: 181900 CPU: 724.957, 0.00396934/step Wall: 724.957, 0.00396934/step, 0.350735 hours remaining, 109.511719 MB of memory in use. ENERGY: 181900 635.7015 1885.4482 2010.7018 107.6874 -14.2249 -1037.0992 168.0052 0.0000 2717.8622 6474.0822 300.1954 3756.2200 6507.4753 300.4062 PRESSURE: 182000 0 0 0 0 0 0 0 0 0 GPRESSURE: 182000 0 0 0 0 0 0 0 0 0 PRESSAVG: 182000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182000 0 0 0 0 0 0 0 0 0 TIMING: 182000 CPU: 725.356, 0.00398195/step Wall: 725.356, 0.00398195/step, 0.351739 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 182000 661.8133 1878.3189 2009.6287 119.9852 -14.6630 -1059.7274 150.7365 0.0000 2713.9550 6460.0471 299.7639 3746.0921 6492.5946 299.9251 PRESSURE: 182100 0 0 0 0 0 0 0 0 0 GPRESSURE: 182100 0 0 0 0 0 0 0 0 0 PRESSAVG: 182100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182100 0 0 0 0 0 0 0 0 0 TIMING: 182100 CPU: 725.753, 0.00397102/step Wall: 725.753, 0.00397102/step, 0.350663 hours remaining, 109.511719 MB of memory in use. ENERGY: 182100 649.5407 1916.1662 2013.1769 104.3575 -14.0230 -1049.1516 165.6122 0.0000 2669.8971 6455.5761 294.8976 3785.6790 6488.7251 297.3735 PRESSURE: 182200 0 0 0 0 0 0 0 0 0 GPRESSURE: 182200 0 0 0 0 0 0 0 0 0 PRESSAVG: 182200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182200 0 0 0 0 0 0 0 0 0 TIMING: 182200 CPU: 726.15, 0.00396939/step Wall: 726.15, 0.00396938/step, 0.350408 hours remaining, 109.511719 MB of memory in use. ENERGY: 182200 651.6295 1894.7219 1983.3513 114.4254 -16.0510 -1026.4918 157.2045 0.0000 2653.9409 6412.7307 293.1352 3758.7898 6443.6795 298.3559 PRESSURE: 182300 0 0 0 0 0 0 0 0 0 GPRESSURE: 182300 0 0 0 0 0 0 0 0 0 PRESSAVG: 182300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182300 0 0 0 0 0 0 0 0 0 TIMING: 182300 CPU: 726.548, 0.00397886/step Wall: 726.548, 0.00397887/step, 0.351135 hours remaining, 109.511719 MB of memory in use. ENERGY: 182300 651.5406 1885.0980 2020.1104 100.0279 -14.5448 -1051.1252 153.3982 0.0000 2703.9195 6448.4247 298.6554 3744.5051 6481.6754 297.5690 PRESSURE: 182400 0 0 0 0 0 0 0 0 0 GPRESSURE: 182400 0 0 0 0 0 0 0 0 0 PRESSAVG: 182400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182400 0 0 0 0 0 0 0 0 0 TIMING: 182400 CPU: 726.945, 0.00397067/step Wall: 726.945, 0.00397067/step, 0.350301 hours remaining, 109.511719 MB of memory in use. ENERGY: 182400 650.5080 1854.2222 2016.4852 103.6206 -12.7991 -1038.0269 167.7035 0.0000 2683.3581 6425.0715 296.3844 3741.7134 6458.1689 296.7617 PRESSURE: 182500 0 0 0 0 0 0 0 0 0 GPRESSURE: 182500 0 0 0 0 0 0 0 0 0 PRESSAVG: 182500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182500 0 0 0 0 0 0 0 0 0 TIMING: 182500 CPU: 727.343, 0.00398152/step Wall: 727.343, 0.00398152/step, 0.351148 hours remaining, 109.511719 MB of memory in use. ENERGY: 182500 630.5307 1837.1673 1999.1084 102.2395 -14.7673 -1034.4389 146.3576 0.0000 2752.4402 6418.6374 304.0147 3666.1972 6454.3431 296.4220 PRESSURE: 182600 0 0 0 0 0 0 0 0 0 GPRESSURE: 182600 0 0 0 0 0 0 0 0 0 PRESSAVG: 182600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182600 0 0 0 0 0 0 0 0 0 TIMING: 182600 CPU: 727.74, 0.00396956/step Wall: 727.74, 0.00396956/step, 0.349983 hours remaining, 109.511719 MB of memory in use. ENERGY: 182600 670.2768 1867.8706 2019.1020 108.0986 -15.2301 -1055.8617 170.7498 0.0000 2658.7392 6423.7451 293.6651 3765.0060 6456.3350 295.7694 PRESSURE: 182700 0 0 0 0 0 0 0 0 0 GPRESSURE: 182700 0 0 0 0 0 0 0 0 0 PRESSAVG: 182700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182700 0 0 0 0 0 0 0 0 0 TIMING: 182700 CPU: 728.137, 0.00397031/step Wall: 728.137, 0.00397031/step, 0.349939 hours remaining, 109.511719 MB of memory in use. ENERGY: 182700 635.5144 1848.0118 2021.0984 103.7732 -15.0523 -1034.4038 156.6632 0.0000 2705.0819 6420.6868 298.7838 3715.6049 6455.1960 296.6415 PRESSURE: 182800 0 0 0 0 0 0 0 0 0 GPRESSURE: 182800 0 0 0 0 0 0 0 0 0 PRESSAVG: 182800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182800 0 0 0 0 0 0 0 0 0 TIMING: 182800 CPU: 728.535, 0.00397838/step Wall: 728.535, 0.00397838/step, 0.350539 hours remaining, 109.511719 MB of memory in use. ENERGY: 182800 653.4446 1915.3965 2009.5348 116.5591 -16.8310 -1076.7505 146.1208 0.0000 2708.0662 6455.5405 299.1135 3747.4743 6487.8115 297.3000 PRESSURE: 182900 0 0 0 0 0 0 0 0 0 GPRESSURE: 182900 0 0 0 0 0 0 0 0 0 PRESSAVG: 182900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182900 0 0 0 0 0 0 0 0 0 TIMING: 182900 CPU: 728.932, 0.00397139/step Wall: 728.932, 0.00397139/step, 0.349813 hours remaining, 109.511719 MB of memory in use. ENERGY: 182900 618.6956 1909.7918 2007.8581 119.9837 -15.3285 -1037.5371 159.0409 0.0000 2711.1871 6473.6917 299.4582 3762.5046 6506.5568 299.3947 PRESSURE: 183000 0 0 0 0 0 0 0 0 0 GPRESSURE: 183000 0 0 0 0 0 0 0 0 0 PRESSAVG: 183000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183000 0 0 0 0 0 0 0 0 0 TIMING: 183000 CPU: 729.33, 0.00398227/step Wall: 729.33, 0.00398227/step, 0.350661 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 183000 665.4438 1857.1232 2040.9833 109.9575 -15.6778 -1066.5199 159.5709 0.0000 2713.9857 6464.8668 299.7673 3750.8811 6499.9112 299.8648 PRESSURE: 183100 0 0 0 0 0 0 0 0 0 GPRESSURE: 183100 0 0 0 0 0 0 0 0 0 PRESSAVG: 183100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183100 0 0 0 0 0 0 0 0 0 TIMING: 183100 CPU: 729.727, 0.00397146/step Wall: 729.727, 0.00397146/step, 0.349599 hours remaining, 109.511719 MB of memory in use. ENERGY: 183100 672.9163 1858.0433 2011.9148 106.3728 -14.0874 -1049.0724 165.9619 0.0000 2717.3577 6469.4070 300.1397 3752.0493 6499.8619 299.5953 PRESSURE: 183200 0 0 0 0 0 0 0 0 0 GPRESSURE: 183200 0 0 0 0 0 0 0 0 0 PRESSAVG: 183200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183200 0 0 0 0 0 0 0 0 0 TIMING: 183200 CPU: 730.124, 0.00397177/step Wall: 730.124, 0.00397177/step, 0.349516 hours remaining, 109.511719 MB of memory in use. ENERGY: 183200 656.9662 1885.3119 2000.7737 98.5784 -13.6437 -1059.0954 158.0640 0.0000 2715.2890 6442.2441 299.9112 3726.9552 6475.4600 298.5611 PRESSURE: 183300 0 0 0 0 0 0 0 0 0 GPRESSURE: 183300 0 0 0 0 0 0 0 0 0 PRESSAVG: 183300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183300 0 0 0 0 0 0 0 0 0 TIMING: 183300 CPU: 730.522, 0.0039794/step Wall: 730.522, 0.0039794/step, 0.350077 hours remaining, 109.511719 MB of memory in use. ENERGY: 183300 675.4475 1836.4242 2036.9095 97.3775 -13.9490 -1036.4631 163.9179 0.0000 2701.7005 6461.3650 298.4103 3759.6645 6492.9795 297.8473 PRESSURE: 183400 0 0 0 0 0 0 0 0 0 GPRESSURE: 183400 0 0 0 0 0 0 0 0 0 PRESSAVG: 183400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183400 0 0 0 0 0 0 0 0 0 TIMING: 183400 CPU: 730.921, 0.00399231/step Wall: 730.921, 0.00399231/step, 0.351101 hours remaining, 109.511719 MB of memory in use. ENERGY: 183400 658.3203 1877.4954 2007.0499 98.9953 -13.8153 -1055.1334 171.8643 0.0000 2717.9126 6462.6890 300.2010 3744.7764 6497.5171 298.2959 PRESSURE: 183500 0 0 0 0 0 0 0 0 0 GPRESSURE: 183500 0 0 0 0 0 0 0 0 0 PRESSAVG: 183500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183500 0 0 0 0 0 0 0 0 0 TIMING: 183500 CPU: 731.32, 0.00398465/step Wall: 731.32, 0.00398465/step, 0.350317 hours remaining, 109.511719 MB of memory in use. ENERGY: 183500 653.5508 1896.1215 2021.7686 114.5850 -14.9300 -1049.3540 152.6135 0.0000 2665.3438 6439.6991 294.3946 3774.3553 6471.2305 298.8833 PRESSURE: 183600 0 0 0 0 0 0 0 0 0 GPRESSURE: 183600 0 0 0 0 0 0 0 0 0 PRESSAVG: 183600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183600 0 0 0 0 0 0 0 0 0 TIMING: 183600 CPU: 731.718, 0.00397694/step Wall: 731.718, 0.00397694/step, 0.349529 hours remaining, 109.511719 MB of memory in use. ENERGY: 183600 684.8357 1843.4631 2018.8296 109.7306 -15.8019 -1034.2551 160.7716 0.0000 2666.1726 6433.7461 294.4862 3767.5736 6467.4913 297.0469 PRESSURE: 183700 0 0 0 0 0 0 0 0 0 GPRESSURE: 183700 0 0 0 0 0 0 0 0 0 PRESSAVG: 183700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183700 0 0 0 0 0 0 0 0 0 TIMING: 183700 CPU: 732.115, 0.00397461/step Wall: 732.115, 0.00397461/step, 0.349214 hours remaining, 109.511719 MB of memory in use. ENERGY: 183700 683.2506 1839.8959 2029.0921 100.2430 -15.7181 -1045.5445 154.8489 0.0000 2672.8940 6418.9621 295.2286 3746.0681 6450.8304 298.1558 PRESSURE: 183800 0 0 0 0 0 0 0 0 0 GPRESSURE: 183800 0 0 0 0 0 0 0 0 0 PRESSAVG: 183800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183800 0 0 0 0 0 0 0 0 0 TIMING: 183800 CPU: 732.514, 0.0039845/step Wall: 732.514, 0.0039845/step, 0.349972 hours remaining, 109.511719 MB of memory in use. ENERGY: 183800 696.5540 1864.7469 1994.7551 109.8151 -15.8184 -1080.2043 170.9593 0.0000 2691.8445 6432.6520 297.3217 3740.8075 6464.9536 297.7367 PRESSURE: 183900 0 0 0 0 0 0 0 0 0 GPRESSURE: 183900 0 0 0 0 0 0 0 0 0 PRESSAVG: 183900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183900 0 0 0 0 0 0 0 0 0 TIMING: 183900 CPU: 732.911, 0.00397291/step Wall: 732.911, 0.00397291/step, 0.348844 hours remaining, 109.511719 MB of memory in use. ENERGY: 183900 648.9427 1848.7494 2000.1852 102.8157 -14.6696 -1036.6498 158.3238 0.0000 2742.6832 6450.3805 302.9370 3707.6973 6486.7485 299.3446 PRESSURE: 184000 0 0 0 0 0 0 0 0 0 GPRESSURE: 184000 0 0 0 0 0 0 0 0 0 PRESSAVG: 184000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184000 0 0 0 0 0 0 0 0 0 TIMING: 184000 CPU: 733.309, 0.00398219/step Wall: 733.309, 0.00398219/step, 0.349548 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 184000 648.8601 1883.4612 1986.8339 111.7085 -13.4498 -1071.3835 167.6576 0.0000 2749.8969 6463.5850 303.7338 3713.6881 6495.7743 298.3540 PRESSURE: 184100 0 0 0 0 0 0 0 0 0 GPRESSURE: 184100 0 0 0 0 0 0 0 0 0 PRESSAVG: 184100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184100 0 0 0 0 0 0 0 0 0 TIMING: 184100 CPU: 733.706, 0.00397106/step Wall: 733.706, 0.00397106/step, 0.348461 hours remaining, 109.511719 MB of memory in use. ENERGY: 184100 642.2933 1874.6494 2009.3356 95.3219 -14.8929 -1055.1218 163.1486 0.0000 2744.0247 6458.7589 303.0852 3714.7342 6492.3248 298.9551 PRESSURE: 184200 0 0 0 0 0 0 0 0 0 GPRESSURE: 184200 0 0 0 0 0 0 0 0 0 PRESSAVG: 184200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184200 0 0 0 0 0 0 0 0 0 TIMING: 184200 CPU: 734.104, 0.00397371/step Wall: 734.104, 0.00397371/step, 0.348583 hours remaining, 109.511719 MB of memory in use. ENERGY: 184200 607.8587 1912.8934 2027.1670 105.4727 -14.7104 -1019.6654 167.2127 0.0000 2653.9564 6440.1851 293.1369 3786.2287 6471.2431 297.1124 LDB: ============= START OF LOAD BALANCING ============== 736.879 LDB: ============== END OF LOAD BALANCING =============== 736.879 LDB: =============== DONE WITH MIGRATION ================ 736.879 PRESSURE: 184300 0 0 0 0 0 0 0 0 0 GPRESSURE: 184300 0 0 0 0 0 0 0 0 0 PRESSAVG: 184300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184300 0 0 0 0 0 0 0 0 0 TIMING: 184300 CPU: 734.502, 0.00398144/step Wall: 734.502, 0.00398144/step, 0.34915 hours remaining, 109.511719 MB of memory in use. ENERGY: 184300 656.9139 1894.0764 2011.3365 93.4796 -13.1074 -1022.7926 163.7420 0.0000 2660.3061 6443.9545 293.8382 3783.6484 6476.5069 297.3379 LDB: ============= START OF LOAD BALANCING ============== 737.277 LDB: ============== END OF LOAD BALANCING =============== 737.277 LDB: =============== DONE WITH MIGRATION ================ 737.277 PRESSURE: 184400 0 0 0 0 0 0 0 0 0 GPRESSURE: 184400 0 0 0 0 0 0 0 0 0 PRESSAVG: 184400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184400 0 0 0 0 0 0 0 0 0 TIMING: 184400 CPU: 734.899, 0.00397717/step Wall: 734.899, 0.00397717/step, 0.348665 hours remaining, 109.511719 MB of memory in use. ENERGY: 184400 640.1224 1895.9584 2008.6431 107.3815 -12.7449 -1050.3895 165.1366 0.0000 2680.9338 6435.0414 296.1166 3754.1076 6470.3272 296.3142 PRESSURE: 184500 0 0 0 0 0 0 0 0 0 GPRESSURE: 184500 0 0 0 0 0 0 0 0 0 PRESSAVG: 184500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184500 0 0 0 0 0 0 0 0 0 TIMING: 184500 CPU: 735.297, 0.00397891/step Wall: 735.297, 0.00397891/step, 0.348707 hours remaining, 109.511719 MB of memory in use. ENERGY: 184500 655.7477 1886.6435 2020.0582 101.8253 -13.7035 -1063.4535 163.9986 0.0000 2691.0312 6442.1475 297.2319 3751.1163 6477.0184 295.8634 PRESSURE: 184600 0 0 0 0 0 0 0 0 0 GPRESSURE: 184600 0 0 0 0 0 0 0 0 0 PRESSAVG: 184600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184600 0 0 0 0 0 0 0 0 0 TIMING: 184600 CPU: 735.695, 0.00397222/step Wall: 735.695, 0.00397222/step, 0.348011 hours remaining, 109.511719 MB of memory in use. ENERGY: 184600 621.2300 1865.0317 2029.4125 112.3856 -14.2706 -1038.8166 150.5397 0.0000 2705.9423 6431.4545 298.8789 3725.5122 6465.6270 297.1294 PRESSURE: 184700 0 0 0 0 0 0 0 0 0 GPRESSURE: 184700 0 0 0 0 0 0 0 0 0 PRESSAVG: 184700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184700 0 0 0 0 0 0 0 0 0 TIMING: 184700 CPU: 736.092, 0.00397192/step Wall: 736.092, 0.00397192/step, 0.347874 hours remaining, 109.511719 MB of memory in use. ENERGY: 184700 629.1166 1904.5586 2013.6179 101.5689 -14.4931 -1063.4281 174.0874 0.0000 2678.5594 6423.5877 295.8544 3745.0283 6457.7704 296.5688 PRESSURE: 184800 0 0 0 0 0 0 0 0 0 GPRESSURE: 184800 0 0 0 0 0 0 0 0 0 PRESSAVG: 184800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184800 0 0 0 0 0 0 0 0 0 TIMING: 184800 CPU: 736.489, 0.00397787/step Wall: 736.489, 0.00397787/step, 0.348284 hours remaining, 109.511719 MB of memory in use. ENERGY: 184800 641.4173 1851.1691 2020.1500 104.9933 -13.9891 -1049.6321 172.6287 0.0000 2706.4906 6433.2279 298.9394 3726.7372 6466.1828 295.7153 PRESSURE: 184900 0 0 0 0 0 0 0 0 0 GPRESSURE: 184900 0 0 0 0 0 0 0 0 0 PRESSAVG: 184900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 184900 0 0 0 0 0 0 0 0 0 TIMING: 184900 CPU: 736.887, 0.00397064/step Wall: 736.887, 0.00397064/step, 0.347541 hours remaining, 109.511719 MB of memory in use. ENERGY: 184900 643.7674 1879.6401 2013.6359 92.4660 -14.3650 -1065.1577 176.2499 0.0000 2685.6955 6411.9321 296.6426 3726.2365 6445.5789 296.7872 PRESSURE: 185000 0 0 0 0 0 0 0 0 0 GPRESSURE: 185000 0 0 0 0 0 0 0 0 0 PRESSAVG: 185000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185000 0 0 0 0 0 0 0 0 0 TIMING: 185000 CPU: 737.285, 0.00397978/step Wall: 737.285, 0.00397978/step, 0.348231 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 185000 646.7369 1885.5813 2003.0316 97.3612 -14.1891 -1037.8484 173.7627 0.0000 2663.0550 6417.4912 294.1418 3754.4362 6449.3296 296.3662 PRESSURE: 185100 0 0 0 0 0 0 0 0 0 GPRESSURE: 185100 0 0 0 0 0 0 0 0 0 PRESSAVG: 185100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185100 0 0 0 0 0 0 0 0 0 TIMING: 185100 CPU: 737.682, 0.00397269/step Wall: 737.682, 0.00397269/step, 0.3475 hours remaining, 109.511719 MB of memory in use. ENERGY: 185100 619.1141 1823.9273 1991.8946 102.3700 -14.5042 -1025.6180 161.3384 0.0000 2734.7794 6393.3016 302.0640 3658.5222 6426.9830 295.1672 PRESSURE: 185200 0 0 0 0 0 0 0 0 0 GPRESSURE: 185200 0 0 0 0 0 0 0 0 0 PRESSAVG: 185200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185200 0 0 0 0 0 0 0 0 0 TIMING: 185200 CPU: 738.079, 0.00396977/step Wall: 738.079, 0.00396977/step, 0.347134 hours remaining, 109.511719 MB of memory in use. ENERGY: 185200 632.2378 1895.1469 2056.1536 104.5504 -15.4073 -1069.3892 170.1079 0.0000 2622.4814 6395.8815 289.6604 3773.4001 6430.6830 294.0854 PRESSURE: 185300 0 0 0 0 0 0 0 0 0 GPRESSURE: 185300 0 0 0 0 0 0 0 0 0 PRESSAVG: 185300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185300 0 0 0 0 0 0 0 0 0 TIMING: 185300 CPU: 738.477, 0.00397908/step Wall: 738.477, 0.00397907/step, 0.347837 hours remaining, 109.511719 MB of memory in use. ENERGY: 185300 620.1003 1881.3914 2024.0027 107.5703 -13.5816 -1040.2042 167.1397 0.0000 2661.7732 6408.1917 294.0003 3746.4185 6440.5505 296.6281 PRESSURE: 185400 0 0 0 0 0 0 0 0 0 GPRESSURE: 185400 0 0 0 0 0 0 0 0 0 PRESSAVG: 185400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185400 0 0 0 0 0 0 0 0 0 TIMING: 185400 CPU: 738.874, 0.00396999/step Wall: 738.874, 0.00397/step, 0.346934 hours remaining, 109.511719 MB of memory in use. ENERGY: 185400 683.6950 1889.4454 2039.6491 112.5608 -14.5958 -1049.4722 168.6679 0.0000 2603.9497 6433.9000 287.6135 3829.9503 6465.1580 295.5895 PRESSURE: 185500 0 0 0 0 0 0 0 0 0 GPRESSURE: 185500 0 0 0 0 0 0 0 0 0 PRESSAVG: 185500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185500 0 0 0 0 0 0 0 0 0 TIMING: 185500 CPU: 739.272, 0.00397859/step Wall: 739.272, 0.00397859/step, 0.347574 hours remaining, 109.511719 MB of memory in use. ENERGY: 185500 641.6742 1893.6874 2012.0831 105.7856 -14.2859 -1006.0405 162.4751 0.0000 2650.1115 6445.4906 292.7122 3795.3791 6478.0125 297.0236 PRESSURE: 185600 0 0 0 0 0 0 0 0 0 GPRESSURE: 185600 0 0 0 0 0 0 0 0 0 PRESSAVG: 185600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185600 0 0 0 0 0 0 0 0 0 TIMING: 185600 CPU: 739.669, 0.00397268/step Wall: 739.669, 0.00397268/step, 0.346947 hours remaining, 109.511719 MB of memory in use. ENERGY: 185600 654.3870 1898.7433 2019.4784 97.1281 -15.3436 -1040.9864 160.1170 0.0000 2712.7072 6486.2310 299.6261 3773.5237 6516.5198 298.5372 PRESSURE: 185700 0 0 0 0 0 0 0 0 0 GPRESSURE: 185700 0 0 0 0 0 0 0 0 0 PRESSAVG: 185700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185700 0 0 0 0 0 0 0 0 0 TIMING: 185700 CPU: 740.066, 0.00397078/step Wall: 740.066, 0.00397078/step, 0.346671 hours remaining, 109.511719 MB of memory in use. ENERGY: 185700 682.8725 1886.0520 2017.0498 103.0227 -15.4009 -1008.7986 162.8143 0.0000 2685.1635 6512.7752 296.5838 3827.6118 6544.6653 300.8379 PRESSURE: 185800 0 0 0 0 0 0 0 0 0 GPRESSURE: 185800 0 0 0 0 0 0 0 0 0 PRESSAVG: 185800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185800 0 0 0 0 0 0 0 0 0 TIMING: 185800 CPU: 740.464, 0.00397862/step Wall: 740.464, 0.00397862/step, 0.347245 hours remaining, 109.511719 MB of memory in use. ENERGY: 185800 652.9466 1924.0644 2000.7663 99.6456 -14.7455 -1061.0611 167.1957 0.0000 2729.7237 6498.5357 301.5056 3768.8120 6529.8146 300.8189 PRESSURE: 185900 0 0 0 0 0 0 0 0 0 GPRESSURE: 185900 0 0 0 0 0 0 0 0 0 PRESSAVG: 185900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 185900 0 0 0 0 0 0 0 0 0 TIMING: 185900 CPU: 740.861, 0.00397111/step Wall: 740.861, 0.00397111/step, 0.346479 hours remaining, 109.511719 MB of memory in use. ENERGY: 185900 654.7509 1840.2460 2002.1174 99.3051 -14.9404 -1035.7645 145.4117 0.0000 2766.8297 6457.9559 305.6040 3691.1262 6491.6097 300.6414 PRESSURE: 186000 0 0 0 0 0 0 0 0 0 GPRESSURE: 186000 0 0 0 0 0 0 0 0 0 PRESSAVG: 186000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186000 0 0 0 0 0 0 0 0 0 TIMING: 186000 CPU: 741.259, 0.00398021/step Wall: 741.259, 0.00398021/step, 0.347163 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 186000 646.1068 1848.8468 2037.9458 108.8736 -14.0378 -1054.2331 167.6612 0.0000 2718.4583 6459.6217 300.2613 3741.1634 6495.4342 299.2023 PRESSURE: 186100 0 0 0 0 0 0 0 0 0 GPRESSURE: 186100 0 0 0 0 0 0 0 0 0 PRESSAVG: 186100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186100 0 0 0 0 0 0 0 0 0 TIMING: 186100 CPU: 741.656, 0.00397283/step Wall: 741.656, 0.00397283/step, 0.346409 hours remaining, 109.511719 MB of memory in use. ENERGY: 186100 676.5194 1908.7976 2036.7167 111.5129 -14.1758 -1064.9151 170.6818 0.0000 2676.9347 6502.0723 295.6749 3825.1376 6533.1586 300.5709 PRESSURE: 186200 0 0 0 0 0 0 0 0 0 GPRESSURE: 186200 0 0 0 0 0 0 0 0 0 PRESSAVG: 186200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186200 0 0 0 0 0 0 0 0 0 TIMING: 186200 CPU: 742.053, 0.00397116/step Wall: 742.053, 0.00397116/step, 0.346153 hours remaining, 109.511719 MB of memory in use. ENERGY: 186200 647.8293 1861.2282 2021.4606 106.1707 -14.6293 -1026.0810 167.9316 0.0000 2707.2426 6471.1528 299.0225 3763.9102 6507.0595 299.6579 PRESSURE: 186300 0 0 0 0 0 0 0 0 0 GPRESSURE: 186300 0 0 0 0 0 0 0 0 0 PRESSAVG: 186300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186300 0 0 0 0 0 0 0 0 0 TIMING: 186300 CPU: 742.451, 0.00397677/step Wall: 742.451, 0.00397677/step, 0.346531 hours remaining, 109.511719 MB of memory in use. ENERGY: 186300 602.7667 1915.7299 2019.2922 109.2531 -15.8002 -1022.7633 156.3037 0.0000 2720.8493 6485.6313 300.5254 3764.7820 6518.6701 300.0216 PRESSURE: 186400 0 0 0 0 0 0 0 0 0 GPRESSURE: 186400 0 0 0 0 0 0 0 0 0 PRESSAVG: 186400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186400 0 0 0 0 0 0 0 0 0 TIMING: 186400 CPU: 742.848, 0.00397111/step Wall: 742.848, 0.00397111/step, 0.345928 hours remaining, 109.511719 MB of memory in use. ENERGY: 186400 612.4321 1924.1017 2005.7949 106.5303 -14.1191 -1077.9579 173.7187 0.0000 2777.8652 6508.3660 306.8230 3730.5008 6545.4907 300.4987 PRESSURE: 186500 0 0 0 0 0 0 0 0 0 GPRESSURE: 186500 0 0 0 0 0 0 0 0 0 PRESSAVG: 186500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186500 0 0 0 0 0 0 0 0 0 TIMING: 186500 CPU: 743.246, 0.00398015/step Wall: 743.246, 0.00398015/step, 0.346605 hours remaining, 109.511719 MB of memory in use. ENERGY: 186500 681.3820 1897.0618 1997.7580 114.7685 -14.5367 -1019.6854 151.2715 0.0000 2749.1209 6557.1406 303.6481 3808.0197 6588.5649 303.7815 PRESSURE: 186600 0 0 0 0 0 0 0 0 0 GPRESSURE: 186600 0 0 0 0 0 0 0 0 0 PRESSAVG: 186600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186600 0 0 0 0 0 0 0 0 0 TIMING: 186600 CPU: 743.643, 0.00397205/step Wall: 743.643, 0.00397204/step, 0.345788 hours remaining, 109.511719 MB of memory in use. ENERGY: 186600 676.1827 1878.4405 2033.2368 98.3947 -13.3213 -1033.2811 162.8540 0.0000 2747.8749 6550.3811 303.5104 3802.5062 6580.7812 303.6965 PRESSURE: 186700 0 0 0 0 0 0 0 0 0 GPRESSURE: 186700 0 0 0 0 0 0 0 0 0 PRESSAVG: 186700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186700 0 0 0 0 0 0 0 0 0 TIMING: 186700 CPU: 744.04, 0.00397201/step Wall: 744.04, 0.00397202/step, 0.345676 hours remaining, 109.511719 MB of memory in use. ENERGY: 186700 663.5724 1927.3057 2033.2232 112.6212 -14.4076 -1066.8403 163.2961 0.0000 2688.2253 6506.9960 296.9220 3818.7707 6538.9362 302.2367 PRESSURE: 186800 0 0 0 0 0 0 0 0 0 GPRESSURE: 186800 0 0 0 0 0 0 0 0 0 PRESSAVG: 186800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186800 0 0 0 0 0 0 0 0 0 TIMING: 186800 CPU: 744.438, 0.00397504/step Wall: 744.438, 0.00397504/step, 0.345829 hours remaining, 109.511719 MB of memory in use. ENERGY: 186800 667.9033 1889.4135 2043.5007 119.3238 -14.8106 -1096.8201 160.8018 0.0000 2732.3961 6501.7084 301.8008 3769.3123 6535.0443 301.5875 PRESSURE: 186900 0 0 0 0 0 0 0 0 0 GPRESSURE: 186900 0 0 0 0 0 0 0 0 0 PRESSAVG: 186900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 186900 0 0 0 0 0 0 0 0 0 TIMING: 186900 CPU: 744.835, 0.00397135/step Wall: 744.835, 0.00397135/step, 0.345397 hours remaining, 109.511719 MB of memory in use. ENERGY: 186900 681.4397 1860.3928 2002.8017 101.0156 -14.6024 -1052.4297 155.1668 0.0000 2736.7616 6470.5460 302.2829 3733.7844 6506.7808 299.7786 PRESSURE: 187000 0 0 0 0 0 0 0 0 0 GPRESSURE: 187000 0 0 0 0 0 0 0 0 0 PRESSAVG: 187000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187000 0 0 0 0 0 0 0 0 0 TIMING: 187000 CPU: 745.232, 0.0039693/step Wall: 745.232, 0.0039693/step, 0.345109 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 187000 655.9723 1890.5831 2029.0273 100.6342 -14.1990 -1046.1010 159.9666 0.0000 2699.1976 6475.0811 298.1339 3775.8834 6507.0519 298.1495 PRESSURE: 187100 0 0 0 0 0 0 0 0 0 GPRESSURE: 187100 0 0 0 0 0 0 0 0 0 PRESSAVG: 187100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187100 0 0 0 0 0 0 0 0 0 TIMING: 187100 CPU: 745.63, 0.00397921/step Wall: 745.63, 0.00397921/step, 0.34586 hours remaining, 109.511719 MB of memory in use. ENERGY: 187100 636.5282 1907.3222 2028.5122 110.7272 -14.0701 -1004.4979 157.9695 0.0000 2648.0838 6470.5751 292.4882 3822.4912 6500.5026 298.7041 PRESSURE: 187200 0 0 0 0 0 0 0 0 0 GPRESSURE: 187200 0 0 0 0 0 0 0 0 0 PRESSAVG: 187200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187200 0 0 0 0 0 0 0 0 0 TIMING: 187200 CPU: 746.027, 0.00397009/step Wall: 746.027, 0.00397009/step, 0.344957 hours remaining, 109.511719 MB of memory in use. ENERGY: 187200 654.6844 1874.1500 2033.2977 100.3298 -14.7116 -1044.9593 164.4224 0.0000 2711.3551 6478.5683 299.4767 3767.2132 6510.8658 299.8646 PRESSURE: 187300 0 0 0 0 0 0 0 0 0 GPRESSURE: 187300 0 0 0 0 0 0 0 0 0 PRESSAVG: 187300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187300 0 0 0 0 0 0 0 0 0 TIMING: 187300 CPU: 746.425, 0.0039759/step Wall: 746.425, 0.0039759/step, 0.345351 hours remaining, 109.511719 MB of memory in use. ENERGY: 187300 643.5667 1926.7203 1993.2468 100.7877 -14.3447 -1039.0897 158.2001 0.0000 2709.0299 6478.1170 299.2199 3769.0870 6511.6320 299.3616 PRESSURE: 187400 0 0 0 0 0 0 0 0 0 GPRESSURE: 187400 0 0 0 0 0 0 0 0 0 PRESSAVG: 187400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187400 0 0 0 0 0 0 0 0 0 TIMING: 187400 CPU: 746.822, 0.0039722/step Wall: 746.822, 0.0039722/step, 0.344919 hours remaining, 109.511719 MB of memory in use. ENERGY: 187400 676.1563 1833.6457 2014.3771 114.1578 -15.2806 -1044.6967 157.7293 0.0000 2718.1269 6454.2157 300.2247 3736.0889 6488.4942 299.5712 PRESSURE: 187500 0 0 0 0 0 0 0 0 0 GPRESSURE: 187500 0 0 0 0 0 0 0 0 0 PRESSAVG: 187500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187500 0 0 0 0 0 0 0 0 0 TIMING: 187500 CPU: 747.219, 0.00396967/step Wall: 747.219, 0.00396967/step, 0.344589 hours remaining, 109.511719 MB of memory in use. ENERGY: 187500 688.3076 1885.1542 2027.1303 114.5550 -15.0446 -1086.9352 165.0017 0.0000 2676.8621 6455.0312 295.6669 3778.1690 6487.6051 299.3657 PRESSURE: 187600 0 0 0 0 0 0 0 0 0 GPRESSURE: 187600 0 0 0 0 0 0 0 0 0 PRESSAVG: 187600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187600 0 0 0 0 0 0 0 0 0 TIMING: 187600 CPU: 747.617, 0.0039786/step Wall: 747.617, 0.0039786/step, 0.345254 hours remaining, 109.511719 MB of memory in use. ENERGY: 187600 682.2744 1868.5682 2024.4097 107.5767 -15.0492 -1078.2692 155.9596 0.0000 2712.7101 6458.1803 299.6264 3745.4703 6490.3950 297.3567 PRESSURE: 187700 0 0 0 0 0 0 0 0 0 GPRESSURE: 187700 0 0 0 0 0 0 0 0 0 PRESSAVG: 187700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187700 0 0 0 0 0 0 0 0 0 TIMING: 187700 CPU: 748.014, 0.00397211/step Wall: 748.014, 0.00397211/step, 0.344581 hours remaining, 109.511719 MB of memory in use. ENERGY: 187700 633.2170 1924.3813 2021.7618 97.4777 -13.9744 -1046.2915 170.0455 0.0000 2679.6823 6466.2997 295.9784 3786.6174 6501.0611 297.5246 PRESSURE: 187800 0 0 0 0 0 0 0 0 0 GPRESSURE: 187800 0 0 0 0 0 0 0 0 0 PRESSAVG: 187800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187800 0 0 0 0 0 0 0 0 0 TIMING: 187800 CPU: 748.411, 0.00397612/step Wall: 748.411, 0.00397612/step, 0.344818 hours remaining, 109.511719 MB of memory in use. ENERGY: 187800 681.7260 1912.5794 2014.0945 99.7607 -15.2634 -1037.3118 156.3027 0.0000 2692.8211 6504.7091 297.4296 3811.8879 6536.3837 299.5992 PRESSURE: 187900 0 0 0 0 0 0 0 0 0 GPRESSURE: 187900 0 0 0 0 0 0 0 0 0 PRESSAVG: 187900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 187900 0 0 0 0 0 0 0 0 0 TIMING: 187900 CPU: 748.809, 0.00397358/step Wall: 748.809, 0.00397357/step, 0.344486 hours remaining, 109.511719 MB of memory in use. ENERGY: 187900 679.3722 1931.5124 2006.3499 115.0056 -14.6432 -1032.5821 155.0018 0.0000 2677.6645 6517.6808 295.7555 3840.0164 6549.3405 300.6653 PRESSURE: 188000 0 0 0 0 0 0 0 0 0 GPRESSURE: 188000 0 0 0 0 0 0 0 0 0 PRESSAVG: 188000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188000 0 0 0 0 0 0 0 0 0 TIMING: 188000 CPU: 749.206, 0.00396926/step Wall: 749.206, 0.00396927/step, 0.344004 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 188000 668.0897 1928.0963 2017.8807 90.9589 -14.9746 -1047.4436 157.8423 0.0000 2702.9736 6503.4233 298.5510 3800.4497 6538.3348 301.2148 PRESSURE: 188100 0 0 0 0 0 0 0 0 0 GPRESSURE: 188100 0 0 0 0 0 0 0 0 0 PRESSAVG: 188100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188100 0 0 0 0 0 0 0 0 0 TIMING: 188100 CPU: 749.604, 0.00398105/step Wall: 749.604, 0.00398105/step, 0.344914 hours remaining, 109.511719 MB of memory in use. ENERGY: 188100 665.5214 1910.0478 2021.2558 102.1111 -14.7600 -1033.9510 167.7216 0.0000 2717.4741 6535.4208 300.1526 3817.9467 6567.5200 300.0543 PRESSURE: 188200 0 0 0 0 0 0 0 0 0 GPRESSURE: 188200 0 0 0 0 0 0 0 0 0 PRESSAVG: 188200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188200 0 0 0 0 0 0 0 0 0 TIMING: 188200 CPU: 750.001, 0.00397106/step Wall: 750.001, 0.00397106/step, 0.343938 hours remaining, 109.511719 MB of memory in use. ENERGY: 188200 640.4939 1906.0946 2005.6380 101.8928 -14.9755 -1022.3887 166.8098 0.0000 2751.7118 6535.2767 303.9342 3783.5649 6567.3746 302.1366 LDB: ============= START OF LOAD BALANCING ============== 752.78 LDB: ============== END OF LOAD BALANCING =============== 752.78 LDB: =============== DONE WITH MIGRATION ================ 752.78 PRESSURE: 188300 0 0 0 0 0 0 0 0 0 GPRESSURE: 188300 0 0 0 0 0 0 0 0 0 PRESSAVG: 188300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188300 0 0 0 0 0 0 0 0 0 TIMING: 188300 CPU: 750.402, 0.0040108/step Wall: 750.402, 0.0040108/step, 0.347269 hours remaining, 109.511719 MB of memory in use. ENERGY: 188300 657.1765 1884.8407 2026.9406 110.5486 -14.2280 -1037.5220 169.1681 0.0000 2733.4874 6530.4118 301.9213 3796.9245 6564.0240 301.7723 LDB: ============= START OF LOAD BALANCING ============== 753.177 LDB: ============== END OF LOAD BALANCING =============== 753.177 LDB: =============== DONE WITH MIGRATION ================ 753.177 PRESSURE: 188400 0 0 0 0 0 0 0 0 0 GPRESSURE: 188400 0 0 0 0 0 0 0 0 0 PRESSAVG: 188400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188400 0 0 0 0 0 0 0 0 0 TIMING: 188400 CPU: 750.8, 0.00397836/step Wall: 750.8, 0.00397836/step, 0.344349 hours remaining, 109.511719 MB of memory in use. ENERGY: 188400 662.4941 1840.0274 2040.0548 97.7794 -14.4068 -1027.5459 176.6545 0.0000 2729.5549 6504.6123 301.4869 3775.0574 6538.1791 301.3217 PRESSURE: 188500 0 0 0 0 0 0 0 0 0 GPRESSURE: 188500 0 0 0 0 0 0 0 0 0 PRESSAVG: 188500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188500 0 0 0 0 0 0 0 0 0 TIMING: 188500 CPU: 751.197, 0.00397292/step Wall: 751.197, 0.00397292/step, 0.343768 hours remaining, 109.511719 MB of memory in use. ENERGY: 188500 699.3901 1883.8865 2007.7581 104.9489 -15.6760 -1090.7393 171.0869 0.0000 2761.4236 6522.0788 305.0069 3760.6552 6554.3949 301.4723 PRESSURE: 188600 0 0 0 0 0 0 0 0 0 GPRESSURE: 188600 0 0 0 0 0 0 0 0 0 PRESSAVG: 188600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188600 0 0 0 0 0 0 0 0 0 TIMING: 188600 CPU: 751.595, 0.0039813/step Wall: 751.595, 0.0039813/step, 0.344383 hours remaining, 109.511719 MB of memory in use. ENERGY: 188600 672.3964 1884.1072 2024.5598 101.8884 -15.0030 -1046.1878 153.7107 0.0000 2714.4857 6489.9574 299.8225 3775.4717 6522.6154 301.8764 PRESSURE: 188700 0 0 0 0 0 0 0 0 0 GPRESSURE: 188700 0 0 0 0 0 0 0 0 0 PRESSAVG: 188700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188700 0 0 0 0 0 0 0 0 0 TIMING: 188700 CPU: 751.992, 0.00397155/step Wall: 751.992, 0.00397155/step, 0.343429 hours remaining, 109.511719 MB of memory in use. ENERGY: 188700 646.5338 1913.4255 2026.1794 95.8888 -16.1556 -1060.0334 160.4257 0.0000 2724.8863 6491.1504 300.9713 3766.2642 6524.5239 299.6880 PRESSURE: 188800 0 0 0 0 0 0 0 0 0 GPRESSURE: 188800 0 0 0 0 0 0 0 0 0 PRESSAVG: 188800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188800 0 0 0 0 0 0 0 0 0 TIMING: 188800 CPU: 752.391, 0.00398386/step Wall: 752.391, 0.00398386/step, 0.344382 hours remaining, 109.511719 MB of memory in use. ENERGY: 188800 678.7290 1872.2014 2010.8007 108.8399 -14.3747 -1015.0495 154.1566 0.0000 2707.8555 6503.1588 299.0902 3795.3033 6537.8419 299.4225 PRESSURE: 188900 0 0 0 0 0 0 0 0 0 GPRESSURE: 188900 0 0 0 0 0 0 0 0 0 PRESSAVG: 188900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 188900 0 0 0 0 0 0 0 0 0 TIMING: 188900 CPU: 752.788, 0.00397068/step Wall: 752.788, 0.00397068/step, 0.343133 hours remaining, 109.511719 MB of memory in use. ENERGY: 188900 643.3408 1892.4625 2017.3311 108.1497 -15.7888 -1040.7861 184.5459 0.0000 2703.8048 6493.0600 298.6428 3789.2552 6529.4147 301.7813 PRESSURE: 189000 0 0 0 0 0 0 0 0 0 GPRESSURE: 189000 0 0 0 0 0 0 0 0 0 PRESSAVG: 189000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189000 0 0 0 0 0 0 0 0 0 TIMING: 189000 CPU: 753.185, 0.00396848/step Wall: 753.185, 0.00396848/step, 0.342833 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 189000 656.3020 1895.5335 2011.0515 106.8088 -14.7068 -1020.0258 161.7822 0.0000 2731.9454 6528.6909 301.7510 3796.7455 6559.1595 301.6215 PRESSURE: 189100 0 0 0 0 0 0 0 0 0 GPRESSURE: 189100 0 0 0 0 0 0 0 0 0 PRESSAVG: 189100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189100 0 0 0 0 0 0 0 0 0 TIMING: 189100 CPU: 753.583, 0.00398299/step Wall: 753.583, 0.00398299/step, 0.343975 hours remaining, 109.511719 MB of memory in use. ENERGY: 189100 671.8892 1865.4544 2001.6701 91.5370 -15.1166 -1044.4291 175.1748 0.0000 2717.9033 6464.0831 300.2000 3746.1798 6499.4198 300.6189 PRESSURE: 189200 0 0 0 0 0 0 0 0 0 GPRESSURE: 189200 0 0 0 0 0 0 0 0 0 PRESSAVG: 189200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189200 0 0 0 0 0 0 0 0 0 TIMING: 189200 CPU: 753.98, 0.00397134/step Wall: 753.98, 0.00397134/step, 0.342859 hours remaining, 109.511719 MB of memory in use. ENERGY: 189200 685.5800 1870.9407 1999.1956 110.5456 -15.4222 -1079.0764 148.2508 0.0000 2730.8040 6450.8181 301.6249 3720.0141 6484.7601 298.8597 PRESSURE: 189300 0 0 0 0 0 0 0 0 0 GPRESSURE: 189300 0 0 0 0 0 0 0 0 0 PRESSAVG: 189300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189300 0 0 0 0 0 0 0 0 0 TIMING: 189300 CPU: 754.378, 0.00397939/step Wall: 754.378, 0.00397939/step, 0.343444 hours remaining, 109.511719 MB of memory in use. ENERGY: 189300 620.9912 1825.6721 2003.0567 106.9212 -14.4867 -1063.0585 178.7281 0.0000 2741.0096 6398.8337 302.7521 3657.8241 6435.0399 295.4130 PRESSURE: 189400 0 0 0 0 0 0 0 0 0 GPRESSURE: 189400 0 0 0 0 0 0 0 0 0 PRESSAVG: 189400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189400 0 0 0 0 0 0 0 0 0 TIMING: 189400 CPU: 754.775, 0.00397141/step Wall: 754.775, 0.00397141/step, 0.342644 hours remaining, 109.511719 MB of memory in use. ENERGY: 189400 659.5843 1845.4449 1992.8926 100.8606 -14.5089 -1059.3345 158.0968 0.0000 2702.3748 6385.4105 298.4848 3683.0357 6419.2141 295.3288 PRESSURE: 189500 0 0 0 0 0 0 0 0 0 GPRESSURE: 189500 0 0 0 0 0 0 0 0 0 PRESSAVG: 189500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189500 0 0 0 0 0 0 0 0 0 TIMING: 189500 CPU: 755.172, 0.00396964/step Wall: 755.172, 0.00396964/step, 0.342381 hours remaining, 109.511719 MB of memory in use. ENERGY: 189500 668.1489 1872.9335 2050.5037 102.2309 -14.1467 -1065.2187 167.4995 0.0000 2639.0318 6420.9829 291.4884 3781.9511 6453.2083 295.4876 PRESSURE: 189600 0 0 0 0 0 0 0 0 0 GPRESSURE: 189600 0 0 0 0 0 0 0 0 0 PRESSAVG: 189600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189600 0 0 0 0 0 0 0 0 0 TIMING: 189600 CPU: 755.57, 0.00397807/step Wall: 755.57, 0.00397807/step, 0.342998 hours remaining, 109.511719 MB of memory in use. ENERGY: 189600 662.7899 1899.9509 2007.5158 100.6448 -13.9843 -1042.7216 155.0205 0.0000 2690.6624 6459.8785 297.1912 3769.2160 6491.0941 298.1450 PRESSURE: 189700 0 0 0 0 0 0 0 0 0 GPRESSURE: 189700 0 0 0 0 0 0 0 0 0 PRESSAVG: 189700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189700 0 0 0 0 0 0 0 0 0 TIMING: 189700 CPU: 755.967, 0.00397063/step Wall: 755.967, 0.00397063/step, 0.342246 hours remaining, 109.511719 MB of memory in use. ENERGY: 189700 648.4673 1898.2836 1996.5805 95.1456 -14.6259 -1021.8813 154.1579 0.0000 2685.5177 6441.6455 296.6229 3756.1278 6474.8429 299.0908 PRESSURE: 189800 0 0 0 0 0 0 0 0 0 GPRESSURE: 189800 0 0 0 0 0 0 0 0 0 PRESSAVG: 189800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189800 0 0 0 0 0 0 0 0 0 TIMING: 189800 CPU: 756.365, 0.00397727/step Wall: 756.365, 0.00397727/step, 0.342708 hours remaining, 109.511719 MB of memory in use. ENERGY: 189800 670.3425 1863.0879 2014.2371 109.1468 -13.9144 -1034.6435 168.3482 0.0000 2664.3218 6440.9263 294.2818 3776.6046 6475.5660 296.5324 PRESSURE: 189900 0 0 0 0 0 0 0 0 0 GPRESSURE: 189900 0 0 0 0 0 0 0 0 0 PRESSAVG: 189900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 189900 0 0 0 0 0 0 0 0 0 TIMING: 189900 CPU: 756.762, 0.0039722/step Wall: 756.762, 0.00397219/step, 0.34216 hours remaining, 109.511719 MB of memory in use. ENERGY: 189900 665.2248 1873.2945 2015.0949 108.0583 -14.4068 -1076.4734 170.9318 0.0000 2670.9255 6412.6496 295.0112 3741.7241 6446.4622 297.3832 PRESSURE: 190000 0 0 0 0 0 0 0 0 0 GPRESSURE: 190000 0 0 0 0 0 0 0 0 0 PRESSAVG: 190000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190000 0 0 0 0 0 0 0 0 0 TIMING: 190000 CPU: 757.159, 0.00397277/step Wall: 757.159, 0.00397278/step, 0.342101 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 190000 658.4392 1824.5466 2015.3624 98.1241 -13.5584 -1025.5417 166.2031 0.0000 2642.8493 6366.4248 291.9101 3723.5755 6398.3928 294.2471 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 190000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 190000 WRITING COORDINATES TO RESTART FILE AT STEP 190000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 190000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 190100 0 0 0 0 0 0 0 0 0 GPRESSURE: 190100 0 0 0 0 0 0 0 0 0 PRESSAVG: 190100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190100 0 0 0 0 0 0 0 0 0 TIMING: 190100 CPU: 757.593, 0.00433297/step Wall: 757.593, 0.00433297/step, 0.372996 hours remaining, 109.511719 MB of memory in use. ENERGY: 190100 634.0220 1827.9919 2015.1010 96.3998 -14.2248 -1064.6877 166.3210 0.0000 2669.7408 6330.6640 294.8803 3660.9232 6363.1861 291.7476 PRESSURE: 190200 0 0 0 0 0 0 0 0 0 GPRESSURE: 190200 0 0 0 0 0 0 0 0 0 PRESSAVG: 190200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190200 0 0 0 0 0 0 0 0 0 TIMING: 190200 CPU: 757.99, 0.00397209/step Wall: 757.99, 0.00397209/step, 0.34182 hours remaining, 109.511719 MB of memory in use. ENERGY: 190200 623.0904 1855.1866 1990.3851 97.4946 -13.8061 -1045.4525 156.2820 0.0000 2671.5563 6334.7364 295.0808 3663.1801 6368.7812 292.1318 PRESSURE: 190300 0 0 0 0 0 0 0 0 0 GPRESSURE: 190300 0 0 0 0 0 0 0 0 0 PRESSAVG: 190300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190300 0 0 0 0 0 0 0 0 0 TIMING: 190300 CPU: 758.388, 0.00398031/step Wall: 758.388, 0.00398031/step, 0.342417 hours remaining, 109.511719 MB of memory in use. ENERGY: 190300 652.8683 1839.3057 2004.8944 107.0500 -13.7208 -1021.1474 169.4806 0.0000 2658.4378 6397.1686 293.6319 3738.7309 6427.6798 293.1099 PRESSURE: 190400 0 0 0 0 0 0 0 0 0 GPRESSURE: 190400 0 0 0 0 0 0 0 0 0 PRESSAVG: 190400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190400 0 0 0 0 0 0 0 0 0 TIMING: 190400 CPU: 758.785, 0.00396995/step Wall: 758.785, 0.00396994/step, 0.341415 hours remaining, 109.511719 MB of memory in use. ENERGY: 190400 661.5837 1848.5628 1992.4063 107.3263 -13.8209 -1038.7876 162.2582 0.0000 2666.9072 6386.4360 294.5673 3719.5288 6419.4136 294.7411 PRESSURE: 190500 0 0 0 0 0 0 0 0 0 GPRESSURE: 190500 0 0 0 0 0 0 0 0 0 PRESSAVG: 190500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190500 0 0 0 0 0 0 0 0 0 TIMING: 190500 CPU: 759.182, 0.00397289/step Wall: 759.182, 0.0039729/step, 0.341559 hours remaining, 109.511719 MB of memory in use. ENERGY: 190500 663.6145 1885.9283 1994.1312 102.6704 -14.2244 -1054.5679 154.5166 0.0000 2701.6309 6433.6997 298.4027 3732.0689 6466.4977 296.1246 PRESSURE: 190600 0 0 0 0 0 0 0 0 0 GPRESSURE: 190600 0 0 0 0 0 0 0 0 0 PRESSAVG: 190600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190600 0 0 0 0 0 0 0 0 0 TIMING: 190600 CPU: 759.58, 0.00398239/step Wall: 759.58, 0.00398238/step, 0.342263 hours remaining, 109.511719 MB of memory in use. ENERGY: 190600 634.4778 1907.3155 2002.8034 111.1197 -14.2825 -1033.0684 164.1936 0.0000 2675.9638 6448.5229 295.5677 3772.5591 6477.8131 297.9340 PRESSURE: 190700 0 0 0 0 0 0 0 0 0 GPRESSURE: 190700 0 0 0 0 0 0 0 0 0 PRESSAVG: 190700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190700 0 0 0 0 0 0 0 0 0 TIMING: 190700 CPU: 759.978, 0.00397236/step Wall: 759.978, 0.00397237/step, 0.341293 hours remaining, 109.511719 MB of memory in use. ENERGY: 190700 644.3941 1887.6633 2025.9383 100.4003 -15.1804 -1049.1439 180.7475 0.0000 2709.1700 6483.9893 299.2354 3774.8193 6516.4142 299.4806 PRESSURE: 190800 0 0 0 0 0 0 0 0 0 GPRESSURE: 190800 0 0 0 0 0 0 0 0 0 PRESSAVG: 190800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190800 0 0 0 0 0 0 0 0 0 TIMING: 190800 CPU: 760.376, 0.00397961/step Wall: 760.376, 0.00397961/step, 0.341804 hours remaining, 109.511719 MB of memory in use. ENERGY: 190800 618.2553 1935.0981 2022.0065 108.1204 -15.1228 -1018.5545 167.3843 0.0000 2670.2450 6487.4323 294.9360 3817.1873 6518.6426 300.2803 PRESSURE: 190900 0 0 0 0 0 0 0 0 0 GPRESSURE: 190900 0 0 0 0 0 0 0 0 0 PRESSAVG: 190900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 190900 0 0 0 0 0 0 0 0 0 TIMING: 190900 CPU: 760.773, 0.0039737/step Wall: 760.773, 0.0039737/step, 0.341186 hours remaining, 109.511719 MB of memory in use. ENERGY: 190900 623.0754 1863.2749 2023.1949 120.4082 -15.0084 -1044.4408 171.2783 0.0000 2711.1722 6452.9547 299.4565 3741.7825 6486.8945 299.1173 PRESSURE: 191000 0 0 0 0 0 0 0 0 0 GPRESSURE: 191000 0 0 0 0 0 0 0 0 0 PRESSAVG: 191000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191000 0 0 0 0 0 0 0 0 0 TIMING: 191000 CPU: 761.17, 0.00397078/step Wall: 761.17, 0.00397078/step, 0.340825 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 191000 633.7993 1867.6708 2025.5209 107.8612 -14.5772 -1033.0170 168.9555 0.0000 2719.0058 6475.2193 300.3218 3756.2135 6510.6901 298.6475 PRESSURE: 191100 0 0 0 0 0 0 0 0 0 GPRESSURE: 191100 0 0 0 0 0 0 0 0 0 PRESSAVG: 191100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191100 0 0 0 0 0 0 0 0 0 TIMING: 191100 CPU: 761.568, 0.00397827/step Wall: 761.568, 0.00397827/step, 0.341358 hours remaining, 109.511719 MB of memory in use. ENERGY: 191100 647.2076 1859.3646 2001.1629 106.1846 -15.1827 -1012.4154 171.5393 0.0000 2718.9946 6476.8556 300.3205 3757.8610 6508.3946 299.1829 PRESSURE: 191200 0 0 0 0 0 0 0 0 0 GPRESSURE: 191200 0 0 0 0 0 0 0 0 0 PRESSAVG: 191200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191200 0 0 0 0 0 0 0 0 0 TIMING: 191200 CPU: 761.965, 0.00397166/step Wall: 761.965, 0.00397166/step, 0.34068 hours remaining, 109.511719 MB of memory in use. ENERGY: 191200 617.5317 1849.9159 2003.3624 116.1756 -14.4276 -1044.1986 159.7657 0.0000 2745.9553 6434.0804 303.2984 3688.1251 6470.1511 299.2224 PRESSURE: 191300 0 0 0 0 0 0 0 0 0 GPRESSURE: 191300 0 0 0 0 0 0 0 0 0 PRESSAVG: 191300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191300 0 0 0 0 0 0 0 0 0 TIMING: 191300 CPU: 762.363, 0.00397728/step Wall: 762.363, 0.00397728/step, 0.341052 hours remaining, 109.511719 MB of memory in use. ENERGY: 191300 655.0207 1947.9918 2028.3143 94.1335 -14.4710 -1065.6392 172.7568 0.0000 2658.0253 6476.1322 293.5863 3818.1069 6508.9407 298.2273 PRESSURE: 191400 0 0 0 0 0 0 0 0 0 GPRESSURE: 191400 0 0 0 0 0 0 0 0 0 PRESSAVG: 191400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191400 0 0 0 0 0 0 0 0 0 TIMING: 191400 CPU: 762.76, 0.00397463/step Wall: 762.76, 0.00397462/step, 0.340713 hours remaining, 109.511719 MB of memory in use. ENERGY: 191400 673.0283 1892.2453 1982.4516 101.7228 -15.1498 -1050.0663 162.6498 0.0000 2741.3929 6488.2746 302.7945 3746.8817 6520.4931 301.1296 PRESSURE: 191500 0 0 0 0 0 0 0 0 0 GPRESSURE: 191500 0 0 0 0 0 0 0 0 0 PRESSAVG: 191500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191500 0 0 0 0 0 0 0 0 0 TIMING: 191500 CPU: 763.157, 0.00397274/step Wall: 763.157, 0.00397275/step, 0.340443 hours remaining, 109.511719 MB of memory in use. ENERGY: 191500 653.7533 1875.1296 1991.3924 95.2129 -14.3206 -1022.7326 164.2704 0.0000 2722.5664 6465.2718 300.7150 3742.7054 6498.8631 299.1568 PRESSURE: 191600 0 0 0 0 0 0 0 0 0 GPRESSURE: 191600 0 0 0 0 0 0 0 0 0 PRESSAVG: 191600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191600 0 0 0 0 0 0 0 0 0 TIMING: 191600 CPU: 763.556, 0.00398196/step Wall: 763.556, 0.00398196/step, 0.341121 hours remaining, 109.511719 MB of memory in use. ENERGY: 191600 696.9684 1886.7420 2011.5734 94.3828 -15.4307 -1058.6794 172.5220 0.0000 2690.3241 6478.4026 297.1538 3788.0784 6511.1456 299.4124 PRESSURE: 191700 0 0 0 0 0 0 0 0 0 GPRESSURE: 191700 0 0 0 0 0 0 0 0 0 PRESSAVG: 191700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191700 0 0 0 0 0 0 0 0 0 TIMING: 191700 CPU: 763.953, 0.00397296/step Wall: 763.953, 0.00397296/step, 0.34024 hours remaining, 109.511719 MB of memory in use. ENERGY: 191700 625.6039 1870.5827 1999.5309 103.1190 -15.6664 -998.8498 146.4775 0.0000 2704.4452 6435.2431 298.7135 3730.7979 6469.6198 298.8290 PRESSURE: 191800 0 0 0 0 0 0 0 0 0 GPRESSURE: 191800 0 0 0 0 0 0 0 0 0 PRESSAVG: 191800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191800 0 0 0 0 0 0 0 0 0 TIMING: 191800 CPU: 764.351, 0.00397919/step Wall: 764.351, 0.00397919/step, 0.340663 hours remaining, 109.511719 MB of memory in use. ENERGY: 191800 654.3465 1875.8666 2038.2886 89.8062 -15.0747 -1046.3382 179.9720 0.0000 2679.9988 6456.8658 296.0133 3776.8670 6488.1157 297.9744 PRESSURE: 191900 0 0 0 0 0 0 0 0 0 GPRESSURE: 191900 0 0 0 0 0 0 0 0 0 PRESSAVG: 191900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 191900 0 0 0 0 0 0 0 0 0 TIMING: 191900 CPU: 764.748, 0.0039726/step Wall: 764.748, 0.0039726/step, 0.339988 hours remaining, 109.511719 MB of memory in use. ENERGY: 191900 638.8493 1924.8463 2007.7443 91.9088 -16.1455 -1012.2025 165.5226 0.0000 2674.8904 6475.4137 295.4491 3800.5233 6508.2305 298.6167 PRESSURE: 192000 0 0 0 0 0 0 0 0 0 GPRESSURE: 192000 0 0 0 0 0 0 0 0 0 PRESSAVG: 192000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192000 0 0 0 0 0 0 0 0 0 TIMING: 192000 CPU: 765.145, 0.00397299/step Wall: 765.145, 0.00397299/step, 0.339911 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 192000 668.8434 1893.0250 2002.1429 110.3091 -14.5806 -995.6915 159.2118 0.0000 2660.9552 6484.2153 293.9099 3823.2601 6513.8291 299.5129 PRESSURE: 192100 0 0 0 0 0 0 0 0 0 GPRESSURE: 192100 0 0 0 0 0 0 0 0 0 PRESSAVG: 192100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192100 0 0 0 0 0 0 0 0 0 TIMING: 192100 CPU: 765.544, 0.00398199/step Wall: 765.544, 0.00398199/step, 0.340571 hours remaining, 109.511719 MB of memory in use. ENERGY: 192100 633.2908 1869.3368 2025.4686 100.9566 -15.0089 -1041.6694 159.8092 0.0000 2750.9233 6483.1070 303.8471 3732.1837 6519.6319 300.9643 PRESSURE: 192200 0 0 0 0 0 0 0 0 0 GPRESSURE: 192200 0 0 0 0 0 0 0 0 0 PRESSAVG: 192200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192200 0 0 0 0 0 0 0 0 0 TIMING: 192200 CPU: 765.941, 0.0039754/step Wall: 765.941, 0.0039754/step, 0.339897 hours remaining, 109.511719 MB of memory in use. ENERGY: 192200 628.2513 1915.8927 2003.5818 102.0646 -16.1871 -1049.0229 173.4368 0.0000 2743.3452 6501.3624 303.0101 3758.0172 6535.3324 299.9540 LDB: ============= START OF LOAD BALANCING ============== 768.717 LDB: ============== END OF LOAD BALANCING =============== 768.717 LDB: =============== DONE WITH MIGRATION ================ 768.717 PRESSURE: 192300 0 0 0 0 0 0 0 0 0 GPRESSURE: 192300 0 0 0 0 0 0 0 0 0 PRESSAVG: 192300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192300 0 0 0 0 0 0 0 0 0 TIMING: 192300 CPU: 766.339, 0.00398105/step Wall: 766.339, 0.00398105/step, 0.340269 hours remaining, 109.511719 MB of memory in use. ENERGY: 192300 634.6336 1897.1003 2028.7118 117.5883 -14.3666 -1021.4410 172.2012 0.0000 2719.2871 6533.7147 300.3528 3814.4276 6566.7908 302.2389 LDB: ============= START OF LOAD BALANCING ============== 769.115 LDB: ============== END OF LOAD BALANCING =============== 769.115 LDB: =============== DONE WITH MIGRATION ================ 769.115 PRESSURE: 192400 0 0 0 0 0 0 0 0 0 GPRESSURE: 192400 0 0 0 0 0 0 0 0 0 PRESSAVG: 192400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192400 0 0 0 0 0 0 0 0 0 TIMING: 192400 CPU: 766.737, 0.00398066/step Wall: 766.737, 0.00398066/step, 0.340125 hours remaining, 109.511719 MB of memory in use. ENERGY: 192400 683.0800 1907.6179 2019.0254 103.6550 -16.6760 -1037.9693 161.8863 0.0000 2717.4760 6538.0954 300.1528 3820.6194 6571.9201 301.2953 PRESSURE: 192500 0 0 0 0 0 0 0 0 0 GPRESSURE: 192500 0 0 0 0 0 0 0 0 0 PRESSAVG: 192500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192500 0 0 0 0 0 0 0 0 0 TIMING: 192500 CPU: 767.134, 0.00396998/step Wall: 767.134, 0.00396998/step, 0.339102 hours remaining, 109.511719 MB of memory in use. ENERGY: 192500 631.3085 1936.2538 2007.0363 101.6098 -14.7202 -1055.2481 170.8412 0.0000 2786.9253 6564.0065 307.8237 3777.0812 6597.0137 303.4783 PRESSURE: 192600 0 0 0 0 0 0 0 0 0 GPRESSURE: 192600 0 0 0 0 0 0 0 0 0 PRESSAVG: 192600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192600 0 0 0 0 0 0 0 0 0 TIMING: 192600 CPU: 767.532, 0.00397861/step Wall: 767.532, 0.00397861/step, 0.339729 hours remaining, 109.511719 MB of memory in use. ENERGY: 192600 684.2789 1938.0214 1982.5355 93.6777 -15.5807 -1033.7013 164.7021 0.0000 2777.2901 6591.2237 306.7594 3813.9336 6622.5268 303.1904 PRESSURE: 192700 0 0 0 0 0 0 0 0 0 GPRESSURE: 192700 0 0 0 0 0 0 0 0 0 PRESSAVG: 192700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192700 0 0 0 0 0 0 0 0 0 TIMING: 192700 CPU: 767.929, 0.00397202/step Wall: 767.929, 0.00397202/step, 0.339056 hours remaining, 109.511719 MB of memory in use. ENERGY: 192700 644.5121 1902.3322 2029.4003 104.9862 -15.5347 -1018.2929 156.0676 0.0000 2751.1410 6554.6120 303.8712 3803.4710 6588.3400 304.2728 PRESSURE: 192800 0 0 0 0 0 0 0 0 0 GPRESSURE: 192800 0 0 0 0 0 0 0 0 0 PRESSAVG: 192800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192800 0 0 0 0 0 0 0 0 0 TIMING: 192800 CPU: 768.327, 0.00397733/step Wall: 768.327, 0.00397733/step, 0.339399 hours remaining, 109.511719 MB of memory in use. ENERGY: 192800 632.4943 1948.3338 2027.3074 106.1861 -15.6030 -1038.4027 153.2812 0.0000 2752.7631 6566.3601 304.0504 3813.5971 6600.7747 304.4366 PRESSURE: 192900 0 0 0 0 0 0 0 0 0 GPRESSURE: 192900 0 0 0 0 0 0 0 0 0 PRESSAVG: 192900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 192900 0 0 0 0 0 0 0 0 0 TIMING: 192900 CPU: 768.724, 0.00397318/step Wall: 768.724, 0.00397318/step, 0.338934 hours remaining, 109.511719 MB of memory in use. ENERGY: 192900 699.9626 1910.3746 2031.8387 116.2906 -15.0714 -1040.5054 162.0650 0.0000 2712.4802 6577.4348 299.6010 3864.9546 6609.3258 303.3360 PRESSURE: 193000 0 0 0 0 0 0 0 0 0 GPRESSURE: 193000 0 0 0 0 0 0 0 0 0 PRESSAVG: 193000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193000 0 0 0 0 0 0 0 0 0 TIMING: 193000 CPU: 769.122, 0.003975/step Wall: 769.122, 0.003975/step, 0.338979 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 193000 696.5240 1873.6727 2066.1456 115.6021 -14.9270 -1054.8465 172.4277 0.0000 2723.7635 6578.3620 300.8473 3854.5985 6610.3980 304.4121 PRESSURE: 193100 0 0 0 0 0 0 0 0 0 GPRESSURE: 193100 0 0 0 0 0 0 0 0 0 PRESSAVG: 193100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193100 0 0 0 0 0 0 0 0 0 TIMING: 193100 CPU: 769.52, 0.00398229/step Wall: 769.52, 0.00398229/step, 0.33949 hours remaining, 109.511719 MB of memory in use. ENERGY: 193100 685.8090 1923.7433 2039.9289 117.4508 -15.7713 -1068.4272 156.3147 0.0000 2710.8342 6549.8825 299.4192 3839.0482 6581.1319 302.9731 PRESSURE: 193200 0 0 0 0 0 0 0 0 0 GPRESSURE: 193200 0 0 0 0 0 0 0 0 0 PRESSAVG: 193200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193200 0 0 0 0 0 0 0 0 0 TIMING: 193200 CPU: 769.918, 0.00397552/step Wall: 769.918, 0.00397552/step, 0.338803 hours remaining, 109.511719 MB of memory in use. ENERGY: 193200 698.4701 1903.8000 2021.5118 110.4106 -15.1577 -1058.0012 158.3171 0.0000 2724.1873 6543.5379 300.8941 3819.3506 6578.5093 303.0510 PRESSURE: 193300 0 0 0 0 0 0 0 0 0 GPRESSURE: 193300 0 0 0 0 0 0 0 0 0 PRESSAVG: 193300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193300 0 0 0 0 0 0 0 0 0 TIMING: 193300 CPU: 770.316, 0.00398105/step Wall: 770.316, 0.00398105/step, 0.339163 hours remaining, 109.511719 MB of memory in use. ENERGY: 193300 681.7079 1884.6200 2036.9911 110.0872 -14.2071 -1030.4608 169.3656 0.0000 2706.6399 6544.7439 298.9559 3838.1040 6577.5832 302.5101 PRESSURE: 193400 0 0 0 0 0 0 0 0 0 GPRESSURE: 193400 0 0 0 0 0 0 0 0 0 PRESSAVG: 193400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193400 0 0 0 0 0 0 0 0 0 TIMING: 193400 CPU: 770.713, 0.0039749/step Wall: 770.713, 0.0039749/step, 0.338529 hours remaining, 109.511719 MB of memory in use. ENERGY: 193400 687.1359 1924.4241 1994.0324 102.3042 -16.2164 -1065.1283 149.3295 0.0000 2759.4167 6535.2981 304.7853 3775.8814 6568.5954 301.9546 PRESSURE: 193500 0 0 0 0 0 0 0 0 0 GPRESSURE: 193500 0 0 0 0 0 0 0 0 0 PRESSAVG: 193500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193500 0 0 0 0 0 0 0 0 0 TIMING: 193500 CPU: 771.11, 0.00397118/step Wall: 771.11, 0.00397118/step, 0.338102 hours remaining, 109.511719 MB of memory in use. ENERGY: 193500 677.0782 1869.3963 2033.6156 106.1787 -13.3172 -1045.5737 157.9579 0.0000 2775.3450 6560.6808 306.5446 3785.3358 6595.4374 304.1122 PRESSURE: 193600 0 0 0 0 0 0 0 0 0 GPRESSURE: 193600 0 0 0 0 0 0 0 0 0 PRESSAVG: 193600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193600 0 0 0 0 0 0 0 0 0 TIMING: 193600 CPU: 771.509, 0.00398291/step Wall: 771.509, 0.00398291/step, 0.33899 hours remaining, 109.511719 MB of memory in use. ENERGY: 193600 644.7273 1921.4793 2039.4374 98.1612 -14.7661 -1064.3058 160.2949 0.0000 2765.8342 6550.8624 305.4941 3785.0281 6584.6678 302.9925 PRESSURE: 193700 0 0 0 0 0 0 0 0 0 GPRESSURE: 193700 0 0 0 0 0 0 0 0 0 PRESSAVG: 193700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193700 0 0 0 0 0 0 0 0 0 TIMING: 193700 CPU: 771.906, 0.00397587/step Wall: 771.906, 0.00397587/step, 0.33828 hours remaining, 109.511719 MB of memory in use. ENERGY: 193700 691.8062 1885.7867 2042.0903 101.4810 -14.2082 -1052.4600 170.7734 0.0000 2759.1655 6584.4349 304.7575 3825.2694 6616.5415 304.5297 PRESSURE: 193800 0 0 0 0 0 0 0 0 0 GPRESSURE: 193800 0 0 0 0 0 0 0 0 0 PRESSAVG: 193800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193800 0 0 0 0 0 0 0 0 0 TIMING: 193800 CPU: 772.304, 0.00397791/step Wall: 772.304, 0.00397791/step, 0.338343 hours remaining, 109.511719 MB of memory in use. ENERGY: 193800 676.3063 1929.6597 2029.8636 108.5186 -15.0684 -1031.9903 164.6964 0.0000 2712.4562 6574.4420 299.5983 3861.9858 6606.7269 304.2460 PRESSURE: 193900 0 0 0 0 0 0 0 0 0 GPRESSURE: 193900 0 0 0 0 0 0 0 0 0 PRESSAVG: 193900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 193900 0 0 0 0 0 0 0 0 0 TIMING: 193900 CPU: 772.702, 0.00397706/step Wall: 772.702, 0.00397706/step, 0.338161 hours remaining, 109.511719 MB of memory in use. ENERGY: 193900 667.2142 1905.8917 2044.1019 106.5734 -14.1426 -1069.2405 159.0005 0.0000 2712.5880 6511.9867 299.6129 3799.3987 6544.5602 303.6168 PRESSURE: 194000 0 0 0 0 0 0 0 0 0 GPRESSURE: 194000 0 0 0 0 0 0 0 0 0 PRESSAVG: 194000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194000 0 0 0 0 0 0 0 0 0 TIMING: 194000 CPU: 773.099, 0.00397576/step Wall: 773.099, 0.00397576/step, 0.33794 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 194000 681.5072 1912.4700 2010.7291 104.3622 -14.5571 -1075.4464 157.3358 0.0000 2731.4157 6507.8165 301.6925 3776.4008 6541.4372 301.5395 PRESSURE: 194100 0 0 0 0 0 0 0 0 0 GPRESSURE: 194100 0 0 0 0 0 0 0 0 0 PRESSAVG: 194100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194100 0 0 0 0 0 0 0 0 0 TIMING: 194100 CPU: 773.498, 0.00398269/step Wall: 773.498, 0.00398269/step, 0.338418 hours remaining, 109.511719 MB of memory in use. ENERGY: 194100 655.2061 1940.7808 2005.4918 114.5429 -14.9666 -1046.1900 161.5261 0.0000 2675.6916 6492.0826 295.5376 3816.3910 6523.6632 300.1932 PRESSURE: 194200 0 0 0 0 0 0 0 0 0 GPRESSURE: 194200 0 0 0 0 0 0 0 0 0 PRESSAVG: 194200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194200 0 0 0 0 0 0 0 0 0 TIMING: 194200 CPU: 773.895, 0.00397365/step Wall: 773.895, 0.00397365/step, 0.33754 hours remaining, 109.511719 MB of memory in use. ENERGY: 194200 684.0080 1896.9308 2016.7496 110.5654 -14.8025 -1053.9649 171.4871 0.0000 2683.3205 6494.2940 296.3802 3810.9736 6526.1851 299.5608 PRESSURE: 194300 0 0 0 0 0 0 0 0 0 GPRESSURE: 194300 0 0 0 0 0 0 0 0 0 PRESSAVG: 194300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194300 0 0 0 0 0 0 0 0 0 TIMING: 194300 CPU: 774.293, 0.00397489/step Wall: 774.293, 0.00397489/step, 0.337534 hours remaining, 109.511719 MB of memory in use. ENERGY: 194300 636.0380 1882.7252 2035.4905 109.0717 -13.4263 -1043.1773 159.6074 0.0000 2722.5095 6488.8387 300.7088 3766.3292 6520.0397 299.0099 PRESSURE: 194400 0 0 0 0 0 0 0 0 0 GPRESSURE: 194400 0 0 0 0 0 0 0 0 0 PRESSAVG: 194400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194400 0 0 0 0 0 0 0 0 0 TIMING: 194400 CPU: 774.691, 0.00398015/step Wall: 774.691, 0.00398014/step, 0.33787 hours remaining, 109.511719 MB of memory in use. ENERGY: 194400 640.3825 1894.2017 2012.3742 96.5675 -14.8420 -1043.7499 167.2031 0.0000 2739.1484 6491.2856 302.5466 3752.1372 6528.1572 298.9772 PRESSURE: 194500 0 0 0 0 0 0 0 0 0 GPRESSURE: 194500 0 0 0 0 0 0 0 0 0 PRESSAVG: 194500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194500 0 0 0 0 0 0 0 0 0 TIMING: 194500 CPU: 775.088, 0.00397405/step Wall: 775.088, 0.00397406/step, 0.337243 hours remaining, 109.511719 MB of memory in use. ENERGY: 194500 681.9992 1895.4811 2045.1972 115.8855 -14.8150 -1041.3206 156.4998 0.0000 2688.6129 6527.5401 296.9648 3838.9272 6558.5864 301.2421 PRESSURE: 194600 0 0 0 0 0 0 0 0 0 GPRESSURE: 194600 0 0 0 0 0 0 0 0 0 PRESSAVG: 194600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194600 0 0 0 0 0 0 0 0 0 TIMING: 194600 CPU: 775.486, 0.00398016/step Wall: 775.486, 0.00398016/step, 0.33765 hours remaining, 109.511719 MB of memory in use. ENERGY: 194600 688.5562 1909.3395 2061.6722 105.3143 -14.2772 -1106.0865 166.8542 0.0000 2717.6779 6529.0506 300.1751 3811.3727 6558.9352 301.2320 PRESSURE: 194700 0 0 0 0 0 0 0 0 0 GPRESSURE: 194700 0 0 0 0 0 0 0 0 0 PRESSAVG: 194700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194700 0 0 0 0 0 0 0 0 0 TIMING: 194700 CPU: 775.884, 0.00397607/step Wall: 775.884, 0.00397607/step, 0.337193 hours remaining, 109.511719 MB of memory in use. ENERGY: 194700 663.5347 1876.4801 2035.5563 112.7849 -14.3099 -1024.4474 154.5884 0.0000 2769.5469 6573.7340 305.9042 3804.1871 6606.9971 303.5796 PRESSURE: 194800 0 0 0 0 0 0 0 0 0 GPRESSURE: 194800 0 0 0 0 0 0 0 0 0 PRESSAVG: 194800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194800 0 0 0 0 0 0 0 0 0 TIMING: 194800 CPU: 776.281, 0.00397578/step Wall: 776.281, 0.00397578/step, 0.337058 hours remaining, 109.511719 MB of memory in use. ENERGY: 194800 677.4581 1931.0977 2031.8016 103.1030 -13.8950 -1065.2609 163.3902 0.0000 2745.4802 6573.1750 303.2459 3827.6947 6606.5071 303.1817 PRESSURE: 194900 0 0 0 0 0 0 0 0 0 GPRESSURE: 194900 0 0 0 0 0 0 0 0 0 PRESSAVG: 194900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 194900 0 0 0 0 0 0 0 0 0 TIMING: 194900 CPU: 776.679, 0.00397549/step Wall: 776.679, 0.00397549/step, 0.336923 hours remaining, 109.511719 MB of memory in use. ENERGY: 194900 641.2120 1872.9498 2018.0342 103.0976 -14.5759 -1060.2150 175.3665 0.0000 2810.9067 6546.7760 310.4725 3735.8693 6586.0127 305.4642 PRESSURE: 195000 0 0 0 0 0 0 0 0 0 GPRESSURE: 195000 0 0 0 0 0 0 0 0 0 PRESSAVG: 195000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195000 0 0 0 0 0 0 0 0 0 TIMING: 195000 CPU: 777.076, 0.00397716/step Wall: 777.076, 0.00397716/step, 0.336954 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 195000 673.7517 1894.7194 2017.6627 117.4249 -14.5708 -1068.2888 171.6941 0.0000 2728.2169 6520.6102 301.3392 3792.3933 6553.8463 302.5574 PRESSURE: 195100 0 0 0 0 0 0 0 0 0 GPRESSURE: 195100 0 0 0 0 0 0 0 0 0 PRESSAVG: 195100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195100 0 0 0 0 0 0 0 0 0 TIMING: 195100 CPU: 777.474, 0.00397677/step Wall: 777.474, 0.00397676/step, 0.336809 hours remaining, 109.511719 MB of memory in use. ENERGY: 195100 659.2539 1915.4415 2012.0723 117.9142 -14.6857 -1058.8029 154.5942 0.0000 2717.5663 6503.3539 300.1628 3785.7876 6538.4027 302.3854 PRESSURE: 195200 0 0 0 0 0 0 0 0 0 GPRESSURE: 195200 0 0 0 0 0 0 0 0 0 PRESSAVG: 195200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195200 0 0 0 0 0 0 0 0 0 TIMING: 195200 CPU: 777.872, 0.00397673/step Wall: 777.872, 0.00397674/step, 0.336697 hours remaining, 109.511719 MB of memory in use. ENERGY: 195200 650.6075 1867.8728 2030.1818 108.2705 -14.1034 -1077.2833 172.9219 0.0000 2711.2184 6449.6863 299.4616 3738.4678 6482.6176 298.3933 PRESSURE: 195300 0 0 0 0 0 0 0 0 0 GPRESSURE: 195300 0 0 0 0 0 0 0 0 0 PRESSAVG: 195300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195300 0 0 0 0 0 0 0 0 0 TIMING: 195300 CPU: 778.269, 0.00397508/step Wall: 778.269, 0.00397508/step, 0.336446 hours remaining, 109.511719 MB of memory in use. ENERGY: 195300 680.3713 1851.1418 2031.8719 112.8416 -15.0044 -1044.0858 145.4855 0.0000 2701.6786 6464.3004 298.4079 3762.6218 6492.9369 298.1340 PRESSURE: 195400 0 0 0 0 0 0 0 0 0 GPRESSURE: 195400 0 0 0 0 0 0 0 0 0 PRESSAVG: 195400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195400 0 0 0 0 0 0 0 0 0 TIMING: 195400 CPU: 778.667, 0.00397865/step Wall: 778.667, 0.00397865/step, 0.336638 hours remaining, 109.511719 MB of memory in use. ENERGY: 195400 638.3126 1877.2568 2046.3625 114.2394 -15.8574 -1100.8332 152.0941 0.0000 2725.4122 6436.9871 301.0294 3711.5750 6473.9427 297.8025 PRESSURE: 195500 0 0 0 0 0 0 0 0 0 GPRESSURE: 195500 0 0 0 0 0 0 0 0 0 PRESSAVG: 195500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195500 0 0 0 0 0 0 0 0 0 TIMING: 195500 CPU: 779.065, 0.00397396/step Wall: 779.065, 0.00397396/step, 0.336131 hours remaining, 109.511719 MB of memory in use. ENERGY: 195500 646.5788 1859.9405 1992.7477 92.6870 -15.2789 -1059.9964 168.4062 0.0000 2720.2194 6405.3042 300.4558 3685.0848 6440.4738 296.3403 PRESSURE: 195600 0 0 0 0 0 0 0 0 0 GPRESSURE: 195600 0 0 0 0 0 0 0 0 0 PRESSAVG: 195600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195600 0 0 0 0 0 0 0 0 0 TIMING: 195600 CPU: 779.462, 0.00397773/step Wall: 779.462, 0.00397773/step, 0.336339 hours remaining, 109.511719 MB of memory in use. ENERGY: 195600 657.6559 1862.8763 1996.8230 108.0175 -15.3987 -1067.3563 157.2450 0.0000 2715.7550 6415.6176 299.9627 3699.8626 6447.9885 296.2748 PRESSURE: 195700 0 0 0 0 0 0 0 0 0 GPRESSURE: 195700 0 0 0 0 0 0 0 0 0 PRESSAVG: 195700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195700 0 0 0 0 0 0 0 0 0 TIMING: 195700 CPU: 779.86, 0.00397477/step Wall: 779.86, 0.00397477/step, 0.335978 hours remaining, 109.511719 MB of memory in use. ENERGY: 195700 629.3355 1886.8967 2010.8608 100.0063 -14.2782 -1037.2517 156.1488 0.0000 2676.2541 6407.9723 295.5997 3731.7182 6444.0680 296.7960 PRESSURE: 195800 0 0 0 0 0 0 0 0 0 GPRESSURE: 195800 0 0 0 0 0 0 0 0 0 PRESSAVG: 195800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195800 0 0 0 0 0 0 0 0 0 TIMING: 195800 CPU: 780.257, 0.00397516/step Wall: 780.257, 0.00397516/step, 0.335901 hours remaining, 109.511719 MB of memory in use. ENERGY: 195800 644.7202 1866.3940 2017.6259 100.3553 -14.5829 -1077.0154 173.1158 0.0000 2702.0896 6412.7026 298.4533 3710.6130 6447.0968 296.7310 PRESSURE: 195900 0 0 0 0 0 0 0 0 0 GPRESSURE: 195900 0 0 0 0 0 0 0 0 0 PRESSAVG: 195900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 195900 0 0 0 0 0 0 0 0 0 TIMING: 195900 CPU: 780.655, 0.00397915/step Wall: 780.655, 0.00397915/step, 0.336128 hours remaining, 109.511719 MB of memory in use. ENERGY: 195900 639.4728 1862.4867 2023.0491 105.8732 -14.6959 -1032.0310 156.1590 0.0000 2691.6381 6431.9522 297.2989 3740.3141 6463.7965 295.5633 PRESSURE: 196000 0 0 0 0 0 0 0 0 0 GPRESSURE: 196000 0 0 0 0 0 0 0 0 0 PRESSAVG: 196000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196000 0 0 0 0 0 0 0 0 0 TIMING: 196000 CPU: 781.053, 0.00397306/step Wall: 781.053, 0.00397306/step, 0.335503 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 196000 653.4935 1875.7826 2048.7932 109.1487 -15.2842 -1055.2802 161.3131 0.0000 2671.0440 6449.0108 295.0243 3777.9668 6484.2694 296.4252 PRESSURE: 196100 0 0 0 0 0 0 0 0 0 GPRESSURE: 196100 0 0 0 0 0 0 0 0 0 PRESSAVG: 196100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196100 0 0 0 0 0 0 0 0 0 TIMING: 196100 CPU: 781.45, 0.00397605/step Wall: 781.45, 0.00397605/step, 0.335645 hours remaining, 109.511719 MB of memory in use. ENERGY: 196100 643.7128 1870.3815 2021.9857 107.3206 -15.1781 -1037.5686 147.5829 0.0000 2687.4947 6425.7315 296.8413 3738.2368 6458.8785 296.7855 PRESSURE: 196200 0 0 0 0 0 0 0 0 0 GPRESSURE: 196200 0 0 0 0 0 0 0 0 0 PRESSAVG: 196200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196200 0 0 0 0 0 0 0 0 0 TIMING: 196200 CPU: 781.848, 0.00397532/step Wall: 781.848, 0.00397532/step, 0.335473 hours remaining, 109.511719 MB of memory in use. ENERGY: 196200 639.5136 1863.7424 2019.6755 109.1017 -15.6668 -1008.5655 163.1577 0.0000 2706.8045 6477.7632 298.9741 3770.9587 6511.8788 297.3024 LDB: ============= START OF LOAD BALANCING ============== 784.623 LDB: ============== END OF LOAD BALANCING =============== 784.623 LDB: =============== DONE WITH MIGRATION ================ 784.623 PRESSURE: 196300 0 0 0 0 0 0 0 0 0 GPRESSURE: 196300 0 0 0 0 0 0 0 0 0 PRESSAVG: 196300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196300 0 0 0 0 0 0 0 0 0 TIMING: 196300 CPU: 782.245, 0.00397514/step Wall: 782.245, 0.00397514/step, 0.335347 hours remaining, 109.511719 MB of memory in use. ENERGY: 196300 630.6692 1883.2323 2040.2044 108.0992 -15.6862 -1036.8573 154.8600 0.0000 2724.7875 6489.3091 300.9604 3764.5216 6522.5756 299.9202 LDB: ============= START OF LOAD BALANCING ============== 785.021 LDB: ============== END OF LOAD BALANCING =============== 785.021 LDB: =============== DONE WITH MIGRATION ================ 785.021 PRESSURE: 196400 0 0 0 0 0 0 0 0 0 GPRESSURE: 196400 0 0 0 0 0 0 0 0 0 PRESSAVG: 196400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196400 0 0 0 0 0 0 0 0 0 TIMING: 196400 CPU: 782.644, 0.00398575/step Wall: 782.644, 0.00398575/step, 0.336131 hours remaining, 109.511719 MB of memory in use. ENERGY: 196400 627.2749 1915.8799 2019.3549 110.0183 -15.0941 -1042.1632 164.4219 0.0000 2753.5740 6533.2667 304.1399 3779.6927 6568.4462 301.9224 PRESSURE: 196500 0 0 0 0 0 0 0 0 0 GPRESSURE: 196500 0 0 0 0 0 0 0 0 0 PRESSAVG: 196500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196500 0 0 0 0 0 0 0 0 0 TIMING: 196500 CPU: 783.041, 0.00397407/step Wall: 783.041, 0.00397407/step, 0.335036 hours remaining, 109.511719 MB of memory in use. ENERGY: 196500 657.6359 1941.2071 2025.6787 104.4628 -13.4078 -1086.4156 165.4657 0.0000 2698.4081 6493.0348 298.0467 3794.6267 6526.8121 301.6899 PRESSURE: 196600 0 0 0 0 0 0 0 0 0 GPRESSURE: 196600 0 0 0 0 0 0 0 0 0 PRESSAVG: 196600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196600 0 0 0 0 0 0 0 0 0 TIMING: 196600 CPU: 783.439, 0.00398049/step Wall: 783.439, 0.00398049/step, 0.335467 hours remaining, 109.511719 MB of memory in use. ENERGY: 196600 682.3314 1863.7422 2018.3895 96.9179 -14.9286 -1050.0725 156.8763 0.0000 2707.5587 6460.8151 299.0574 3753.2564 6493.2744 299.5955 PRESSURE: 196700 0 0 0 0 0 0 0 0 0 GPRESSURE: 196700 0 0 0 0 0 0 0 0 0 PRESSAVG: 196700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196700 0 0 0 0 0 0 0 0 0 TIMING: 196700 CPU: 783.837, 0.00397663/step Wall: 783.837, 0.00397663/step, 0.335031 hours remaining, 109.511719 MB of memory in use. ENERGY: 196700 607.0838 1920.5490 2019.8894 99.9722 -13.5739 -1053.9283 159.9028 0.0000 2747.3663 6487.2611 303.4543 3739.8949 6523.5455 299.5198 PRESSURE: 196800 0 0 0 0 0 0 0 0 0 GPRESSURE: 196800 0 0 0 0 0 0 0 0 0 PRESSAVG: 196800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196800 0 0 0 0 0 0 0 0 0 TIMING: 196800 CPU: 784.234, 0.00397389/step Wall: 784.234, 0.00397389/step, 0.33469 hours remaining, 109.511719 MB of memory in use. ENERGY: 196800 605.0620 1880.8297 2034.7687 93.7004 -14.3483 -1026.1276 156.2053 0.0000 2770.4695 6500.5598 306.0061 3730.0902 6535.7639 299.8739 PRESSURE: 196900 0 0 0 0 0 0 0 0 0 GPRESSURE: 196900 0 0 0 0 0 0 0 0 0 PRESSAVG: 196900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 196900 0 0 0 0 0 0 0 0 0 TIMING: 196900 CPU: 784.632, 0.00397776/step Wall: 784.632, 0.00397776/step, 0.334905 hours remaining, 109.511719 MB of memory in use. ENERGY: 196900 699.2274 1907.7292 2040.2495 110.7491 -14.9935 -1028.8340 141.9742 0.0000 2655.2672 6511.3691 293.2817 3856.1019 6543.2246 301.3103 PRESSURE: 197000 0 0 0 0 0 0 0 0 0 GPRESSURE: 197000 0 0 0 0 0 0 0 0 0 PRESSAVG: 197000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197000 0 0 0 0 0 0 0 0 0 TIMING: 197000 CPU: 785.03, 0.00397603/step Wall: 785.03, 0.00397603/step, 0.334649 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 197000 683.3849 1886.9099 2012.3764 113.0821 -13.0734 -1043.7407 144.8312 0.0000 2736.5849 6520.3552 302.2634 3783.7704 6554.7397 300.5242 PRESSURE: 197100 0 0 0 0 0 0 0 0 0 GPRESSURE: 197100 0 0 0 0 0 0 0 0 0 PRESSAVG: 197100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197100 0 0 0 0 0 0 0 0 0 TIMING: 197100 CPU: 785.427, 0.00397818/step Wall: 785.427, 0.00397818/step, 0.33472 hours remaining, 109.511719 MB of memory in use. ENERGY: 197100 675.1257 1922.2254 2021.3429 113.3481 -15.3465 -1045.4497 167.6214 0.0000 2710.0872 6548.9544 299.3367 3838.8673 6581.1408 303.0124 PRESSURE: 197200 0 0 0 0 0 0 0 0 0 GPRESSURE: 197200 0 0 0 0 0 0 0 0 0 PRESSAVG: 197200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197200 0 0 0 0 0 0 0 0 0 TIMING: 197200 CPU: 785.825, 0.00397678/step Wall: 785.825, 0.00397678/step, 0.334491 hours remaining, 109.511719 MB of memory in use. ENERGY: 197200 658.0399 1878.3223 2020.6352 105.4240 -13.7109 -992.9732 156.5636 0.0000 2722.4901 6534.7909 300.7066 3812.3008 6568.6752 301.6432 PRESSURE: 197300 0 0 0 0 0 0 0 0 0 GPRESSURE: 197300 0 0 0 0 0 0 0 0 0 PRESSAVG: 197300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197300 0 0 0 0 0 0 0 0 0 TIMING: 197300 CPU: 786.223, 0.00397561/step Wall: 786.223, 0.00397561/step, 0.334283 hours remaining, 109.511719 MB of memory in use. ENERGY: 197300 647.3317 1817.2631 1998.2466 113.4133 -14.5301 -1029.9547 169.4559 0.0000 2808.9219 6510.1476 310.2532 3701.2257 6546.5943 301.4399 PRESSURE: 197400 0 0 0 0 0 0 0 0 0 GPRESSURE: 197400 0 0 0 0 0 0 0 0 0 PRESSAVG: 197400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197400 0 0 0 0 0 0 0 0 0 TIMING: 197400 CPU: 786.621, 0.00397945/step Wall: 786.621, 0.00397945/step, 0.334495 hours remaining, 109.511719 MB of memory in use. ENERGY: 197400 633.8513 1868.4582 2009.3247 111.6503 -14.8672 -1038.0754 164.9927 0.0000 2771.2173 6506.5519 306.0887 3735.3346 6537.1125 302.3229 PRESSURE: 197500 0 0 0 0 0 0 0 0 0 GPRESSURE: 197500 0 0 0 0 0 0 0 0 0 PRESSAVG: 197500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197500 0 0 0 0 0 0 0 0 0 TIMING: 197500 CPU: 787.018, 0.00397439/step Wall: 787.018, 0.00397439/step, 0.333959 hours remaining, 109.511719 MB of memory in use. ENERGY: 197500 621.8837 1944.8798 2025.9931 104.1232 -14.6191 -1033.8394 170.9930 0.0000 2695.3993 6514.8134 297.7144 3819.4141 6545.8269 301.6090 PRESSURE: 197600 0 0 0 0 0 0 0 0 0 GPRESSURE: 197600 0 0 0 0 0 0 0 0 0 PRESSAVG: 197600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197600 0 0 0 0 0 0 0 0 0 TIMING: 197600 CPU: 787.416, 0.00397852/step Wall: 787.416, 0.00397852/step, 0.334196 hours remaining, 109.511719 MB of memory in use. ENERGY: 197600 646.1428 1881.3482 2037.5451 125.9344 -14.2613 -1059.5504 153.2538 0.0000 2726.7990 6497.2114 301.1825 3770.4125 6532.8663 300.3120 PRESSURE: 197700 0 0 0 0 0 0 0 0 0 GPRESSURE: 197700 0 0 0 0 0 0 0 0 0 PRESSAVG: 197700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197700 0 0 0 0 0 0 0 0 0 TIMING: 197700 CPU: 787.813, 0.0039741/step Wall: 787.813, 0.0039741/step, 0.333714 hours remaining, 109.511719 MB of memory in use. ENERGY: 197700 652.8070 1851.6461 2014.2110 108.7747 -13.9292 -1040.7073 170.8334 0.0000 2744.1242 6487.7600 303.0962 3743.6358 6520.6118 300.0306 PRESSURE: 197800 0 0 0 0 0 0 0 0 0 GPRESSURE: 197800 0 0 0 0 0 0 0 0 0 PRESSAVG: 197800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197800 0 0 0 0 0 0 0 0 0 TIMING: 197800 CPU: 788.211, 0.00397555/step Wall: 788.211, 0.00397555/step, 0.333725 hours remaining, 109.511719 MB of memory in use. ENERGY: 197800 653.0032 1880.6532 2004.4220 112.2504 -13.9670 -1082.4932 149.2489 0.0000 2748.7759 6451.8934 303.6100 3703.1175 6486.4855 298.5193 PRESSURE: 197900 0 0 0 0 0 0 0 0 0 GPRESSURE: 197900 0 0 0 0 0 0 0 0 0 PRESSAVG: 197900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 197900 0 0 0 0 0 0 0 0 0 TIMING: 197900 CPU: 788.609, 0.00397927/step Wall: 788.609, 0.00397927/step, 0.333927 hours remaining, 109.511719 MB of memory in use. ENERGY: 197900 655.5620 1906.1253 2033.5754 111.0732 -14.2070 -1075.7494 162.9354 0.0000 2683.9612 6463.2759 296.4510 3779.3147 6493.8106 299.3491 PRESSURE: 198000 0 0 0 0 0 0 0 0 0 GPRESSURE: 198000 0 0 0 0 0 0 0 0 0 PRESSAVG: 198000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198000 0 0 0 0 0 0 0 0 0 TIMING: 198000 CPU: 789.006, 0.00397524/step Wall: 789.006, 0.00397524/step, 0.333478 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 198000 672.7062 1899.4676 2046.3508 93.5347 -13.7240 -1070.8801 164.4743 0.0000 2650.7777 6442.7073 292.7858 3791.9296 6472.9988 298.9058 PRESSURE: 198100 0 0 0 0 0 0 0 0 0 GPRESSURE: 198100 0 0 0 0 0 0 0 0 0 PRESSAVG: 198100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198100 0 0 0 0 0 0 0 0 0 TIMING: 198100 CPU: 789.404, 0.00397994/step Wall: 789.404, 0.00397994/step, 0.333762 hours remaining, 109.511719 MB of memory in use. ENERGY: 198100 676.4523 1910.4470 2035.8924 107.6215 -13.8658 -1054.9273 160.4636 0.0000 2656.8036 6478.8874 293.4514 3822.0837 6510.0767 297.8268 PRESSURE: 198200 0 0 0 0 0 0 0 0 0 GPRESSURE: 198200 0 0 0 0 0 0 0 0 0 PRESSAVG: 198200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198200 0 0 0 0 0 0 0 0 0 TIMING: 198200 CPU: 789.802, 0.00397285/step Wall: 789.802, 0.00397285/step, 0.333057 hours remaining, 109.511719 MB of memory in use. ENERGY: 198200 687.5466 1860.6622 2046.8337 110.5343 -13.5371 -1086.6026 179.6136 0.0000 2688.2122 6473.2629 296.9205 3785.0507 6507.8114 298.3105 PRESSURE: 198300 0 0 0 0 0 0 0 0 0 GPRESSURE: 198300 0 0 0 0 0 0 0 0 0 PRESSAVG: 198300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198300 0 0 0 0 0 0 0 0 0 TIMING: 198300 CPU: 790.199, 0.00397547/step Wall: 790.199, 0.00397547/step, 0.333166 hours remaining, 109.511719 MB of memory in use. ENERGY: 198300 662.4252 1881.8345 1998.7789 104.9022 -14.9614 -1025.5668 153.7528 0.0000 2735.1548 6496.3203 302.1055 3761.1655 6528.5259 301.9319 PRESSURE: 198400 0 0 0 0 0 0 0 0 0 GPRESSURE: 198400 0 0 0 0 0 0 0 0 0 PRESSAVG: 198400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198400 0 0 0 0 0 0 0 0 0 TIMING: 198400 CPU: 790.598, 0.00398547/step Wall: 790.598, 0.00398547/step, 0.333894 hours remaining, 109.511719 MB of memory in use. ENERGY: 198400 667.6591 1849.2273 2008.9981 112.0781 -15.6197 -1061.7479 160.0789 0.0000 2743.3352 6464.0091 303.0090 3720.6739 6498.5266 299.7461 PRESSURE: 198500 0 0 0 0 0 0 0 0 0 GPRESSURE: 198500 0 0 0 0 0 0 0 0 0 PRESSAVG: 198500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198500 0 0 0 0 0 0 0 0 0 TIMING: 198500 CPU: 790.998, 0.00399991/step Wall: 790.998, 0.00399991/step, 0.334992 hours remaining, 109.511719 MB of memory in use. ENERGY: 198500 668.2692 1932.6351 2026.9695 106.6998 -14.2931 -1038.0423 154.4465 0.0000 2660.4046 6497.0894 293.8491 3836.6848 6530.3776 298.3335 PRESSURE: 198600 0 0 0 0 0 0 0 0 0 GPRESSURE: 198600 0 0 0 0 0 0 0 0 0 PRESSAVG: 198600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198600 0 0 0 0 0 0 0 0 0 TIMING: 198600 CPU: 791.396, 0.00398302/step Wall: 791.396, 0.00398302/step, 0.333467 hours remaining, 109.511719 MB of memory in use. ENERGY: 198600 661.0876 1935.6809 1989.8284 105.1429 -14.1731 -1059.8246 155.8110 0.0000 2703.0226 6476.5757 298.5564 3773.5531 6507.0932 300.8562 PRESSURE: 198700 0 0 0 0 0 0 0 0 0 GPRESSURE: 198700 0 0 0 0 0 0 0 0 0 PRESSAVG: 198700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198700 0 0 0 0 0 0 0 0 0 TIMING: 198700 CPU: 791.794, 0.00398085/step Wall: 791.794, 0.00398085/step, 0.333175 hours remaining, 109.511719 MB of memory in use. ENERGY: 198700 615.2913 1881.5206 2027.4883 105.8590 -13.2757 -1047.0699 159.6122 0.0000 2738.8755 6468.3013 302.5164 3729.4258 6500.5752 299.3561 PRESSURE: 198800 0 0 0 0 0 0 0 0 0 GPRESSURE: 198800 0 0 0 0 0 0 0 0 0 PRESSAVG: 198800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198800 0 0 0 0 0 0 0 0 0 TIMING: 198800 CPU: 792.192, 0.00398017/step Wall: 792.192, 0.00398017/step, 0.333008 hours remaining, 109.511719 MB of memory in use. ENERGY: 198800 649.9802 1916.0790 2048.6530 106.0897 -13.9510 -1075.4443 147.9273 0.0000 2686.2887 6465.6226 296.7081 3779.3339 6497.5490 298.0765 PRESSURE: 198900 0 0 0 0 0 0 0 0 0 GPRESSURE: 198900 0 0 0 0 0 0 0 0 0 PRESSAVG: 198900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 198900 0 0 0 0 0 0 0 0 0 TIMING: 198900 CPU: 792.59, 0.00397857/step Wall: 792.59, 0.00397857/step, 0.332763 hours remaining, 109.511719 MB of memory in use. ENERGY: 198900 665.3762 1865.3086 2025.2498 103.1170 -14.0084 -1068.4576 154.5038 0.0000 2754.0898 6485.1791 304.1969 3731.0892 6519.4260 298.2100 PRESSURE: 199000 0 0 0 0 0 0 0 0 0 GPRESSURE: 199000 0 0 0 0 0 0 0 0 0 PRESSAVG: 199000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199000 0 0 0 0 0 0 0 0 0 TIMING: 199000 CPU: 792.988, 0.00397576/step Wall: 792.988, 0.00397575/step, 0.332417 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 199000 653.6723 1869.7470 2012.4596 104.0594 -14.8163 -1034.6173 158.4917 0.0000 2752.2856 6501.2821 303.9976 3748.9965 6534.1183 300.6358 PRESSURE: 199100 0 0 0 0 0 0 0 0 0 GPRESSURE: 199100 0 0 0 0 0 0 0 0 0 PRESSAVG: 199100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199100 0 0 0 0 0 0 0 0 0 TIMING: 199100 CPU: 793.386, 0.00397953/step Wall: 793.386, 0.00397954/step, 0.332623 hours remaining, 109.511719 MB of memory in use. ENERGY: 199100 677.3090 1931.1869 1982.6080 115.9237 -13.9205 -1069.2137 162.5793 0.0000 2735.8000 6522.2728 302.1767 3786.4728 6554.7971 301.0230 PRESSURE: 199200 0 0 0 0 0 0 0 0 0 GPRESSURE: 199200 0 0 0 0 0 0 0 0 0 PRESSAVG: 199200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199200 0 0 0 0 0 0 0 0 0 TIMING: 199200 CPU: 793.783, 0.00397103/step Wall: 793.783, 0.00397103/step, 0.331802 hours remaining, 109.511719 MB of memory in use. ENERGY: 199200 642.9026 1940.5634 2019.3903 109.5447 -14.2876 -1048.9529 156.7963 0.0000 2698.4391 6504.3961 298.0501 3805.9570 6537.1355 301.3367 PRESSURE: 199300 0 0 0 0 0 0 0 0 0 GPRESSURE: 199300 0 0 0 0 0 0 0 0 0 PRESSAVG: 199300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199300 0 0 0 0 0 0 0 0 0 TIMING: 199300 CPU: 794.18, 0.00397502/step Wall: 794.18, 0.00397501/step, 0.332024 hours remaining, 109.511719 MB of memory in use. ENERGY: 199300 677.1738 1850.8154 2044.0781 118.8627 -14.8510 -1090.6002 166.7066 0.0000 2731.5629 6483.7482 301.7087 3752.1853 6517.0495 299.9972 PRESSURE: 199400 0 0 0 0 0 0 0 0 0 GPRESSURE: 199400 0 0 0 0 0 0 0 0 0 PRESSAVG: 199400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199400 0 0 0 0 0 0 0 0 0 TIMING: 199400 CPU: 794.578, 0.00397649/step Wall: 794.578, 0.0039765/step, 0.332038 hours remaining, 109.511719 MB of memory in use. ENERGY: 199400 658.5722 1870.7653 2046.1382 114.8664 -14.1066 -1055.8266 164.8950 0.0000 2680.1289 6465.4328 296.0277 3785.3039 6501.2486 300.3022 PRESSURE: 199500 0 0 0 0 0 0 0 0 0 GPRESSURE: 199500 0 0 0 0 0 0 0 0 0 PRESSAVG: 199500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199500 0 0 0 0 0 0 0 0 0 TIMING: 199500 CPU: 794.975, 0.00397318/step Wall: 794.975, 0.00397318/step, 0.33165 hours remaining, 109.511719 MB of memory in use. ENERGY: 199500 661.4833 1886.9638 2023.8248 108.2899 -14.5908 -1062.7334 158.2764 0.0000 2721.5605 6483.0744 300.6039 3761.5139 6516.8368 299.9725 PRESSURE: 199600 0 0 0 0 0 0 0 0 0 GPRESSURE: 199600 0 0 0 0 0 0 0 0 0 PRESSAVG: 199600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199600 0 0 0 0 0 0 0 0 0 TIMING: 199600 CPU: 795.373, 0.00397559/step Wall: 795.373, 0.00397559/step, 0.331741 hours remaining, 109.511719 MB of memory in use. ENERGY: 199600 680.0412 1862.0611 2028.7454 98.1224 -14.1687 -1060.3069 164.8919 0.0000 2710.9314 6470.3177 299.4299 3759.3864 6501.9149 299.1485 PRESSURE: 199700 0 0 0 0 0 0 0 0 0 GPRESSURE: 199700 0 0 0 0 0 0 0 0 0 PRESSAVG: 199700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199700 0 0 0 0 0 0 0 0 0 TIMING: 199700 CPU: 795.77, 0.00397254/step Wall: 795.77, 0.00397254/step, 0.331376 hours remaining, 109.511719 MB of memory in use. ENERGY: 199700 661.8244 1877.4970 2017.7638 124.3284 -13.1418 -1016.9437 156.3417 0.0000 2640.3273 6447.9972 291.6315 3807.6699 6477.3690 298.2649 PRESSURE: 199800 0 0 0 0 0 0 0 0 0 GPRESSURE: 199800 0 0 0 0 0 0 0 0 0 PRESSAVG: 199800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199800 0 0 0 0 0 0 0 0 0 TIMING: 199800 CPU: 796.168, 0.00397608/step Wall: 796.168, 0.00397608/step, 0.331561 hours remaining, 109.511719 MB of memory in use. ENERGY: 199800 668.0326 1862.5286 1998.1567 110.5075 -13.4045 -1047.8176 164.9417 0.0000 2689.5305 6432.4755 297.0661 3742.9451 6464.9577 297.1587 PRESSURE: 199900 0 0 0 0 0 0 0 0 0 GPRESSURE: 199900 0 0 0 0 0 0 0 0 0 PRESSAVG: 199900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 199900 0 0 0 0 0 0 0 0 0 TIMING: 199900 CPU: 796.565, 0.00397742/step Wall: 796.565, 0.00397742/step, 0.331562 hours remaining, 109.511719 MB of memory in use. ENERGY: 199900 636.5866 1855.2188 2028.8803 102.7848 -13.8964 -1022.1759 156.3715 0.0000 2702.1181 6445.8879 298.4565 3743.7698 6480.1689 296.7501 PRESSURE: 200000 0 0 0 0 0 0 0 0 0 GPRESSURE: 200000 0 0 0 0 0 0 0 0 0 PRESSAVG: 200000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200000 0 0 0 0 0 0 0 0 0 TIMING: 200000 CPU: 796.963, 0.00397729/step Wall: 796.963, 0.00397729/step, 0.331441 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 200000 656.1122 1834.7755 2025.2032 119.3747 -14.6874 -1047.9147 166.4473 0.0000 2743.9181 6483.2289 303.0734 3739.3108 6518.5032 298.8625 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 200100 0 0 0 0 0 0 0 0 0 GPRESSURE: 200100 0 0 0 0 0 0 0 0 0 PRESSAVG: 200100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200100 0 0 0 0 0 0 0 0 0 TIMING: 200100 CPU: 797.393, 0.0042976/step Wall: 797.393, 0.0042976/step, 0.358014 hours remaining, 109.511719 MB of memory in use. ENERGY: 200100 649.2935 1856.5861 2004.2417 110.5567 -14.2105 -989.8083 170.5160 0.0000 2689.0148 6476.1900 297.0092 3787.1751 6507.6653 299.8815 PRESSURE: 200200 0 0 0 0 0 0 0 0 0 GPRESSURE: 200200 0 0 0 0 0 0 0 0 0 PRESSAVG: 200200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200200 0 0 0 0 0 0 0 0 0 TIMING: 200200 CPU: 797.79, 0.00397445/step Wall: 797.79, 0.00397445/step, 0.330983 hours remaining, 109.511719 MB of memory in use. ENERGY: 200200 663.3179 1929.7891 1996.8786 119.9264 -14.7160 -1071.6211 152.3446 0.0000 2734.4930 6510.4125 302.0324 3775.9195 6543.3469 300.0647 LDB: ============= START OF LOAD BALANCING ============== 800.565 LDB: ============== END OF LOAD BALANCING =============== 800.565 LDB: =============== DONE WITH MIGRATION ================ 800.565 PRESSURE: 200300 0 0 0 0 0 0 0 0 0 GPRESSURE: 200300 0 0 0 0 0 0 0 0 0 PRESSAVG: 200300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200300 0 0 0 0 0 0 0 0 0 TIMING: 200300 CPU: 798.188, 0.00397345/step Wall: 798.188, 0.00397345/step, 0.33079 hours remaining, 109.511719 MB of memory in use. ENERGY: 200300 658.7355 1933.0246 2036.2031 98.0991 -13.7956 -1044.6342 159.9698 0.0000 2680.1815 6507.7839 296.0335 3827.6024 6539.0089 301.1550 LDB: ============= START OF LOAD BALANCING ============== 800.963 LDB: ============== END OF LOAD BALANCING =============== 800.963 LDB: =============== DONE WITH MIGRATION ================ 800.964 PRESSURE: 200400 0 0 0 0 0 0 0 0 0 GPRESSURE: 200400 0 0 0 0 0 0 0 0 0 PRESSAVG: 200400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200400 0 0 0 0 0 0 0 0 0 TIMING: 200400 CPU: 798.586, 0.00398425/step Wall: 798.586, 0.00398425/step, 0.331578 hours remaining, 109.511719 MB of memory in use. ENERGY: 200400 702.7160 1885.2076 2047.8610 105.5695 -14.2512 -1082.1488 159.0584 0.0000 2757.8317 6561.8442 304.6102 3804.0125 6594.4448 302.1917 PRESSURE: 200500 0 0 0 0 0 0 0 0 0 GPRESSURE: 200500 0 0 0 0 0 0 0 0 0 PRESSAVG: 200500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200500 0 0 0 0 0 0 0 0 0 TIMING: 200500 CPU: 798.984, 0.00397606/step Wall: 798.984, 0.00397606/step, 0.330786 hours remaining, 109.511719 MB of memory in use. ENERGY: 200500 661.0911 1940.1465 1996.1263 106.8280 -13.6201 -1055.3945 174.9759 0.0000 2752.8899 6563.0431 304.0644 3810.1532 6599.1326 303.4137 PRESSURE: 200600 0 0 0 0 0 0 0 0 0 GPRESSURE: 200600 0 0 0 0 0 0 0 0 0 PRESSAVG: 200600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200600 0 0 0 0 0 0 0 0 0 TIMING: 200600 CPU: 799.381, 0.00397869/step Wall: 799.381, 0.00397869/step, 0.330894 hours remaining, 109.511719 MB of memory in use. ENERGY: 200600 664.6035 1951.7709 1988.2072 105.3015 -13.7990 -1040.5977 162.1102 0.0000 2742.5022 6560.0987 302.9170 3817.5966 6592.2897 303.1290 PRESSURE: 200700 0 0 0 0 0 0 0 0 0 GPRESSURE: 200700 0 0 0 0 0 0 0 0 0 PRESSAVG: 200700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200700 0 0 0 0 0 0 0 0 0 TIMING: 200700 CPU: 799.779, 0.00397276/step Wall: 799.779, 0.00397276/step, 0.330291 hours remaining, 109.511719 MB of memory in use. ENERGY: 200700 645.8911 1945.7602 2027.1624 97.3617 -14.0386 -1021.8482 153.7975 0.0000 2777.6937 6611.7797 306.8040 3834.0861 6644.2315 304.0846 PRESSURE: 200800 0 0 0 0 0 0 0 0 0 GPRESSURE: 200800 0 0 0 0 0 0 0 0 0 PRESSAVG: 200800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200800 0 0 0 0 0 0 0 0 0 TIMING: 200800 CPU: 800.176, 0.00397489/step Wall: 800.176, 0.00397489/step, 0.330358 hours remaining, 109.511719 MB of memory in use. ENERGY: 200800 659.0186 1900.3028 2011.3555 117.7372 -14.6512 -1032.9248 167.2363 0.0000 2775.1922 6583.2666 306.5277 3808.0744 6618.9566 307.3278 PRESSURE: 200900 0 0 0 0 0 0 0 0 0 GPRESSURE: 200900 0 0 0 0 0 0 0 0 0 PRESSAVG: 200900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 200900 0 0 0 0 0 0 0 0 0 TIMING: 200900 CPU: 800.574, 0.00397701/step Wall: 800.574, 0.00397701/step, 0.330423 hours remaining, 109.511719 MB of memory in use. ENERGY: 200900 645.4912 1913.1819 2022.4048 106.9791 -14.1958 -1082.1790 179.4663 0.0000 2822.5658 6593.7144 311.7603 3771.1486 6629.9482 303.7566 PRESSURE: 201000 0 0 0 0 0 0 0 0 0 GPRESSURE: 201000 0 0 0 0 0 0 0 0 0 PRESSAVG: 201000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201000 0 0 0 0 0 0 0 0 0 TIMING: 201000 CPU: 800.971, 0.00397527/step Wall: 800.971, 0.00397527/step, 0.330168 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 201000 703.8814 1901.5132 2017.7392 108.9982 -13.1670 -1022.7732 168.8628 0.0000 2762.9226 6627.9771 305.1725 3865.0546 6659.1550 306.9034 PRESSURE: 201100 0 0 0 0 0 0 0 0 0 GPRESSURE: 201100 0 0 0 0 0 0 0 0 0 PRESSAVG: 201100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201100 0 0 0 0 0 0 0 0 0 TIMING: 201100 CPU: 801.369, 0.00397481/step Wall: 801.369, 0.00397481/step, 0.33002 hours remaining, 109.511719 MB of memory in use. ENERGY: 201100 687.6532 1914.0167 1997.0378 99.0148 -14.5605 -1028.4523 151.8093 0.0000 2835.8661 6642.3851 313.2293 3806.5190 6676.2767 308.0375 PRESSURE: 201200 0 0 0 0 0 0 0 0 0 GPRESSURE: 201200 0 0 0 0 0 0 0 0 0 PRESSAVG: 201200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201200 0 0 0 0 0 0 0 0 0 TIMING: 201200 CPU: 801.766, 0.00397508/step Wall: 801.766, 0.00397508/step, 0.329932 hours remaining, 109.511719 MB of memory in use. ENERGY: 201200 682.7945 1876.0454 2019.5319 105.6212 -14.5079 -1043.1145 164.5563 0.0000 2780.5353 6571.4621 307.1179 3790.9268 6607.0939 305.6990 PRESSURE: 201300 0 0 0 0 0 0 0 0 0 GPRESSURE: 201300 0 0 0 0 0 0 0 0 0 PRESSAVG: 201300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201300 0 0 0 0 0 0 0 0 0 TIMING: 201300 CPU: 802.164, 0.00397389/step Wall: 802.164, 0.00397389/step, 0.329722 hours remaining, 109.511719 MB of memory in use. ENERGY: 201300 670.1265 1971.7200 2019.5090 106.3757 -14.4701 -1026.5190 148.6123 0.0000 2719.4035 6594.7580 300.3657 3875.3545 6624.8427 304.4185 PRESSURE: 201400 0 0 0 0 0 0 0 0 0 GPRESSURE: 201400 0 0 0 0 0 0 0 0 0 PRESSAVG: 201400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201400 0 0 0 0 0 0 0 0 0 TIMING: 201400 CPU: 802.561, 0.00397531/step Wall: 802.561, 0.00397531/step, 0.32973 hours remaining, 109.511719 MB of memory in use. ENERGY: 201400 651.6376 1895.0899 2035.7749 85.6693 -14.0079 -1042.8001 168.0265 0.0000 2784.0327 6563.4228 307.5042 3779.3901 6599.2652 304.4866 PRESSURE: 201500 0 0 0 0 0 0 0 0 0 GPRESSURE: 201500 0 0 0 0 0 0 0 0 0 PRESSAVG: 201500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201500 0 0 0 0 0 0 0 0 0 TIMING: 201500 CPU: 802.959, 0.0039743/step Wall: 802.959, 0.0039743/step, 0.329536 hours remaining, 109.511719 MB of memory in use. ENERGY: 201500 655.2637 1922.7634 2015.2460 95.2969 -14.5876 -1059.5229 160.2384 0.0000 2772.7482 6547.4461 306.2578 3774.6979 6583.0272 304.1377 PRESSURE: 201600 0 0 0 0 0 0 0 0 0 GPRESSURE: 201600 0 0 0 0 0 0 0 0 0 PRESSAVG: 201600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201600 0 0 0 0 0 0 0 0 0 TIMING: 201600 CPU: 803.356, 0.00397701/step Wall: 803.356, 0.00397701/step, 0.32965 hours remaining, 109.511719 MB of memory in use. ENERGY: 201600 661.0045 1942.8476 2031.9637 122.6697 -14.5292 -1044.2856 165.2875 0.0000 2701.5542 6566.5124 298.3942 3864.9582 6596.0188 302.4592 PRESSURE: 201700 0 0 0 0 0 0 0 0 0 GPRESSURE: 201700 0 0 0 0 0 0 0 0 0 PRESSAVG: 201700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201700 0 0 0 0 0 0 0 0 0 TIMING: 201700 CPU: 803.754, 0.0039746/step Wall: 803.754, 0.0039746/step, 0.32934 hours remaining, 109.511719 MB of memory in use. ENERGY: 201700 656.0194 1936.0829 2038.8169 112.7957 -15.7135 -1039.6364 158.3305 0.0000 2696.4422 6543.1376 297.8296 3846.6954 6576.7690 302.6860 PRESSURE: 201800 0 0 0 0 0 0 0 0 0 GPRESSURE: 201800 0 0 0 0 0 0 0 0 0 PRESSAVG: 201800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201800 0 0 0 0 0 0 0 0 0 TIMING: 201800 CPU: 804.151, 0.00397444/step Wall: 804.151, 0.00397444/step, 0.329216 hours remaining, 109.511719 MB of memory in use. ENERGY: 201800 672.0734 1949.6394 2017.9515 105.6124 -13.3244 -1082.6663 162.0473 0.0000 2765.0463 6576.3795 305.4071 3811.3333 6608.3911 303.2924 PRESSURE: 201900 0 0 0 0 0 0 0 0 0 GPRESSURE: 201900 0 0 0 0 0 0 0 0 0 PRESSAVG: 201900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 201900 0 0 0 0 0 0 0 0 0 TIMING: 201900 CPU: 804.549, 0.0039769/step Wall: 804.549, 0.0039769/step, 0.329309 hours remaining, 109.511719 MB of memory in use. ENERGY: 201900 647.9646 1978.1640 2012.9352 100.2189 -13.7039 -1038.2462 181.5580 0.0000 2732.9623 6601.8529 301.8633 3868.8906 6634.2992 304.8486 PRESSURE: 202000 0 0 0 0 0 0 0 0 0 GPRESSURE: 202000 0 0 0 0 0 0 0 0 0 PRESSAVG: 202000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202000 0 0 0 0 0 0 0 0 0 TIMING: 202000 CPU: 804.946, 0.00397143/step Wall: 804.946, 0.00397143/step, 0.328746 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 202000 652.1884 1942.0772 2035.7211 118.7693 -13.2036 -1064.5899 172.8463 0.0000 2750.7047 6594.5134 303.8230 3843.8087 6627.7809 305.3874 PRESSURE: 202100 0 0 0 0 0 0 0 0 0 GPRESSURE: 202100 0 0 0 0 0 0 0 0 0 PRESSAVG: 202100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202100 0 0 0 0 0 0 0 0 0 TIMING: 202100 CPU: 805.344, 0.00397546/step Wall: 805.344, 0.00397546/step, 0.328969 hours remaining, 109.511719 MB of memory in use. ENERGY: 202100 663.3857 1908.4114 2023.4300 104.8367 -15.6070 -1041.5218 168.9633 0.0000 2713.1591 6525.0573 299.6760 3811.8982 6556.1334 303.0024 PRESSURE: 202200 0 0 0 0 0 0 0 0 0 GPRESSURE: 202200 0 0 0 0 0 0 0 0 0 PRESSAVG: 202200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202200 0 0 0 0 0 0 0 0 0 TIMING: 202200 CPU: 805.742, 0.00397888/step Wall: 805.742, 0.00397888/step, 0.329142 hours remaining, 109.511719 MB of memory in use. ENERGY: 202200 664.3018 1918.4534 2021.3757 95.7607 -14.6769 -1056.0587 153.6116 0.0000 2715.0797 6497.8473 299.8881 3782.7676 6532.3446 300.1379 PRESSURE: 202300 0 0 0 0 0 0 0 0 0 GPRESSURE: 202300 0 0 0 0 0 0 0 0 0 PRESSAVG: 202300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202300 0 0 0 0 0 0 0 0 0 TIMING: 202300 CPU: 806.139, 0.00397167/step Wall: 806.139, 0.00397167/step, 0.328435 hours remaining, 109.511719 MB of memory in use. ENERGY: 202300 654.7341 1892.4535 1994.6292 95.6432 -15.0050 -1028.0259 156.5445 0.0000 2795.7523 6546.7259 308.7986 3750.9736 6582.2662 303.4702 PRESSURE: 202400 0 0 0 0 0 0 0 0 0 GPRESSURE: 202400 0 0 0 0 0 0 0 0 0 PRESSAVG: 202400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202400 0 0 0 0 0 0 0 0 0 TIMING: 202400 CPU: 806.537, 0.0039771/step Wall: 806.537, 0.0039771/step, 0.328773 hours remaining, 109.511719 MB of memory in use. ENERGY: 202400 676.5843 1982.7539 2021.4380 97.9887 -14.0951 -1066.4618 161.2224 0.0000 2755.5402 6614.9706 304.3571 3859.4304 6648.3906 305.1232 PRESSURE: 202500 0 0 0 0 0 0 0 0 0 GPRESSURE: 202500 0 0 0 0 0 0 0 0 0 PRESSAVG: 202500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202500 0 0 0 0 0 0 0 0 0 TIMING: 202500 CPU: 806.934, 0.00397309/step Wall: 806.934, 0.00397309/step, 0.328332 hours remaining, 109.511719 MB of memory in use. ENERGY: 202500 628.0478 1945.2037 2008.6406 109.8944 -14.9041 -1023.3007 177.3713 0.0000 2767.0033 6597.9563 305.6232 3830.9531 6634.3733 305.9898 PRESSURE: 202600 0 0 0 0 0 0 0 0 0 GPRESSURE: 202600 0 0 0 0 0 0 0 0 0 PRESSAVG: 202600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202600 0 0 0 0 0 0 0 0 0 TIMING: 202600 CPU: 807.331, 0.00397541/step Wall: 807.331, 0.00397541/step, 0.328413 hours remaining, 109.511719 MB of memory in use. ENERGY: 202600 648.7987 1898.3650 2025.0188 111.9919 -14.1659 -1049.9655 170.7341 0.0000 2754.7434 6545.5204 304.2691 3790.7771 6582.0789 304.6417 PRESSURE: 202700 0 0 0 0 0 0 0 0 0 GPRESSURE: 202700 0 0 0 0 0 0 0 0 0 PRESSAVG: 202700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202700 0 0 0 0 0 0 0 0 0 TIMING: 202700 CPU: 807.729, 0.00397519/step Wall: 807.729, 0.00397519/step, 0.328284 hours remaining, 109.511719 MB of memory in use. ENERGY: 202700 648.0172 1907.8384 2037.7494 112.7716 -13.4922 -1032.5718 151.3957 0.0000 2727.0483 6538.7567 301.2101 3811.7084 6572.0366 302.7927 PRESSURE: 202800 0 0 0 0 0 0 0 0 0 GPRESSURE: 202800 0 0 0 0 0 0 0 0 0 PRESSAVG: 202800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202800 0 0 0 0 0 0 0 0 0 TIMING: 202800 CPU: 808.126, 0.00397359/step Wall: 808.126, 0.00397359/step, 0.328042 hours remaining, 109.511719 MB of memory in use. ENERGY: 202800 670.4439 1877.5205 2029.1942 113.5678 -15.1092 -1035.8392 184.8853 0.0000 2757.7428 6582.4060 304.6004 3824.6632 6617.2778 304.1530 PRESSURE: 202900 0 0 0 0 0 0 0 0 0 GPRESSURE: 202900 0 0 0 0 0 0 0 0 0 PRESSAVG: 202900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 202900 0 0 0 0 0 0 0 0 0 TIMING: 202900 CPU: 808.524, 0.00397563/step Wall: 808.524, 0.00397563/step, 0.3281 hours remaining, 109.511719 MB of memory in use. ENERGY: 202900 682.4473 1889.6619 2024.7607 104.8335 -14.1963 -1042.7305 161.3704 0.0000 2729.9750 6536.1220 301.5333 3806.1470 6572.5589 302.7232 PRESSURE: 203000 0 0 0 0 0 0 0 0 0 GPRESSURE: 203000 0 0 0 0 0 0 0 0 0 PRESSAVG: 203000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203000 0 0 0 0 0 0 0 0 0 TIMING: 203000 CPU: 808.921, 0.00397392/step Wall: 808.921, 0.00397392/step, 0.327848 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 203000 681.2843 1846.4122 2018.9476 113.1661 -14.4037 -1013.3095 158.4223 0.0000 2756.9535 6547.4729 304.5132 3790.5194 6581.4336 303.7151 PRESSURE: 203100 0 0 0 0 0 0 0 0 0 GPRESSURE: 203100 0 0 0 0 0 0 0 0 0 PRESSAVG: 203100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203100 0 0 0 0 0 0 0 0 0 TIMING: 203100 CPU: 809.319, 0.00397565/step Wall: 809.319, 0.00397565/step, 0.327881 hours remaining, 109.511719 MB of memory in use. ENERGY: 203100 664.1595 1905.8736 2005.5908 110.0460 -14.1510 -1031.1077 159.4948 0.0000 2733.8536 6533.7596 301.9617 3799.9060 6564.5097 302.2769 PRESSURE: 203200 0 0 0 0 0 0 0 0 0 GPRESSURE: 203200 0 0 0 0 0 0 0 0 0 PRESSAVG: 203200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203200 0 0 0 0 0 0 0 0 0 TIMING: 203200 CPU: 809.716, 0.00397487/step Wall: 809.716, 0.00397487/step, 0.327706 hours remaining, 109.511719 MB of memory in use. ENERGY: 203200 627.5303 1936.6018 2031.4237 108.4595 -13.9022 -1017.8023 151.9993 0.0000 2727.0335 6551.3436 301.2084 3824.3102 6585.4073 303.4366 PRESSURE: 203300 0 0 0 0 0 0 0 0 0 GPRESSURE: 203300 0 0 0 0 0 0 0 0 0 PRESSAVG: 203300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203300 0 0 0 0 0 0 0 0 0 TIMING: 203300 CPU: 810.114, 0.0039754/step Wall: 810.114, 0.0039754/step, 0.327639 hours remaining, 109.511719 MB of memory in use. ENERGY: 203300 667.4425 1911.0647 2048.7439 98.5337 -14.3444 -1054.0940 153.5908 0.0000 2707.9576 6518.8948 299.1015 3810.9372 6551.4486 302.6128 PRESSURE: 203400 0 0 0 0 0 0 0 0 0 GPRESSURE: 203400 0 0 0 0 0 0 0 0 0 PRESSAVG: 203400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203400 0 0 0 0 0 0 0 0 0 TIMING: 203400 CPU: 810.511, 0.00397485/step Wall: 810.511, 0.00397485/step, 0.327483 hours remaining, 109.511719 MB of memory in use. ENERGY: 203400 684.1677 1890.3388 2013.1985 101.9873 -15.2074 -1009.4272 154.1170 0.0000 2698.8545 6518.0292 298.0960 3819.1747 6548.8767 302.0050 PRESSURE: 203500 0 0 0 0 0 0 0 0 0 GPRESSURE: 203500 0 0 0 0 0 0 0 0 0 PRESSAVG: 203500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203500 0 0 0 0 0 0 0 0 0 TIMING: 203500 CPU: 810.909, 0.00397496/step Wall: 810.909, 0.00397496/step, 0.327382 hours remaining, 109.511719 MB of memory in use. ENERGY: 203500 661.8694 1916.9648 2034.5302 107.9076 -14.2059 -1055.8951 170.1012 0.0000 2763.0261 6584.2985 305.1839 3821.2724 6617.2749 302.7215 PRESSURE: 203600 0 0 0 0 0 0 0 0 0 GPRESSURE: 203600 0 0 0 0 0 0 0 0 0 PRESSAVG: 203600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203600 0 0 0 0 0 0 0 0 0 TIMING: 203600 CPU: 811.306, 0.00397563/step Wall: 811.306, 0.00397563/step, 0.327327 hours remaining, 109.511719 MB of memory in use. ENERGY: 203600 649.2169 1853.2038 2037.5963 106.1439 -13.7687 -1010.8311 166.5302 0.0000 2788.5041 6576.5952 307.9980 3788.0911 6613.4332 304.2876 PRESSURE: 203700 0 0 0 0 0 0 0 0 0 GPRESSURE: 203700 0 0 0 0 0 0 0 0 0 PRESSAVG: 203700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203700 0 0 0 0 0 0 0 0 0 TIMING: 203700 CPU: 811.704, 0.00397655/step Wall: 811.704, 0.00397655/step, 0.327292 hours remaining, 109.511719 MB of memory in use. ENERGY: 203700 657.6576 1914.8745 2022.5610 101.0976 -14.7393 -1056.4914 163.6981 0.0000 2760.9193 6549.5774 304.9512 3788.6581 6581.5076 303.9705 PRESSURE: 203800 0 0 0 0 0 0 0 0 0 GPRESSURE: 203800 0 0 0 0 0 0 0 0 0 PRESSAVG: 203800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203800 0 0 0 0 0 0 0 0 0 TIMING: 203800 CPU: 812.101, 0.00397309/step Wall: 812.101, 0.00397309/step, 0.326897 hours remaining, 109.511719 MB of memory in use. ENERGY: 203800 653.4437 1905.3636 2007.3800 107.9412 -15.4343 -1004.9146 169.7524 0.0000 2726.1516 6549.6837 301.1110 3823.5320 6583.4255 303.5783 PRESSURE: 203900 0 0 0 0 0 0 0 0 0 GPRESSURE: 203900 0 0 0 0 0 0 0 0 0 PRESSAVG: 203900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 203900 0 0 0 0 0 0 0 0 0 TIMING: 203900 CPU: 812.499, 0.00397473/step Wall: 812.499, 0.00397473/step, 0.326922 hours remaining, 109.511719 MB of memory in use. ENERGY: 203900 665.9825 1892.8543 2014.7901 103.1396 -14.8991 -1040.5635 159.0125 0.0000 2766.1521 6546.4685 305.5292 3780.3164 6577.5609 302.7897 PRESSURE: 204000 0 0 0 0 0 0 0 0 0 GPRESSURE: 204000 0 0 0 0 0 0 0 0 0 PRESSAVG: 204000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204000 0 0 0 0 0 0 0 0 0 TIMING: 204000 CPU: 812.896, 0.00397496/step Wall: 812.896, 0.00397496/step, 0.32683 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 204000 663.2310 1892.8702 2010.7121 104.6539 -14.1642 -1051.1931 175.1131 0.0000 2723.4514 6504.6743 300.8128 3781.2229 6539.0774 302.3122 PRESSURE: 204100 0 0 0 0 0 0 0 0 0 GPRESSURE: 204100 0 0 0 0 0 0 0 0 0 PRESSAVG: 204100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204100 0 0 0 0 0 0 0 0 0 TIMING: 204100 CPU: 813.294, 0.00397621/step Wall: 813.294, 0.00397621/step, 0.326822 hours remaining, 109.511719 MB of memory in use. ENERGY: 204100 648.5057 1884.3221 2018.5390 108.7271 -14.2251 -1041.0084 149.7163 0.0000 2757.4572 6512.0338 304.5688 3754.5766 6546.7870 301.6816 PRESSURE: 204200 0 0 0 0 0 0 0 0 0 GPRESSURE: 204200 0 0 0 0 0 0 0 0 0 PRESSAVG: 204200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204200 0 0 0 0 0 0 0 0 0 TIMING: 204200 CPU: 813.692, 0.00397801/step Wall: 813.692, 0.00397801/step, 0.32686 hours remaining, 109.511719 MB of memory in use. ENERGY: 204200 654.7328 1879.8014 2011.6017 92.5309 -14.4827 -1014.9445 164.9492 0.0000 2733.1255 6507.3143 301.8813 3774.1889 6540.5505 302.2093 LDB: ============= START OF LOAD BALANCING ============== 816.467 LDB: ============== END OF LOAD BALANCING =============== 816.467 LDB: =============== DONE WITH MIGRATION ================ 816.467 PRESSURE: 204300 0 0 0 0 0 0 0 0 0 GPRESSURE: 204300 0 0 0 0 0 0 0 0 0 PRESSAVG: 204300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204300 0 0 0 0 0 0 0 0 0 TIMING: 204300 CPU: 814.089, 0.00397575/step Wall: 814.089, 0.00397575/step, 0.326564 hours remaining, 109.511719 MB of memory in use. ENERGY: 204300 635.7518 1891.5255 2017.0252 103.8923 -14.0956 -1016.2035 168.2969 0.0000 2725.3161 6511.5087 301.0188 3786.1926 6545.3910 299.6706 LDB: ============= START OF LOAD BALANCING ============== 816.865 LDB: ============== END OF LOAD BALANCING =============== 816.865 LDB: =============== DONE WITH MIGRATION ================ 816.865 PRESSURE: 204400 0 0 0 0 0 0 0 0 0 GPRESSURE: 204400 0 0 0 0 0 0 0 0 0 PRESSAVG: 204400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204400 0 0 0 0 0 0 0 0 0 TIMING: 204400 CPU: 814.488, 0.00398252/step Wall: 814.488, 0.00398252/step, 0.327009 hours remaining, 109.511719 MB of memory in use. ENERGY: 204400 641.6197 1897.6609 1988.6277 95.2196 -14.0690 -998.8173 163.5632 0.0000 2746.6956 6520.5004 303.3802 3773.8048 6552.9325 302.6840 PRESSURE: 204500 0 0 0 0 0 0 0 0 0 GPRESSURE: 204500 0 0 0 0 0 0 0 0 0 PRESSAVG: 204500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204500 0 0 0 0 0 0 0 0 0 TIMING: 204500 CPU: 814.885, 0.00397082/step Wall: 814.885, 0.00397082/step, 0.325938 hours remaining, 109.511719 MB of memory in use. ENERGY: 204500 633.0633 1881.0553 1997.2074 95.1656 -14.2621 -1005.0263 161.3765 0.0000 2786.7638 6535.3433 307.8058 3748.5795 6570.3771 302.1073 PRESSURE: 204600 0 0 0 0 0 0 0 0 0 GPRESSURE: 204600 0 0 0 0 0 0 0 0 0 PRESSAVG: 204600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204600 0 0 0 0 0 0 0 0 0 TIMING: 204600 CPU: 815.282, 0.00397388/step Wall: 815.282, 0.00397388/step, 0.326079 hours remaining, 109.511719 MB of memory in use. ENERGY: 204600 701.4408 1910.8671 1979.5343 112.3405 -13.7669 -1075.7960 159.0524 0.0000 2734.1544 6507.8266 301.9950 3773.6722 6539.8669 301.4899 PRESSURE: 204700 0 0 0 0 0 0 0 0 0 GPRESSURE: 204700 0 0 0 0 0 0 0 0 0 PRESSAVG: 204700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204700 0 0 0 0 0 0 0 0 0 TIMING: 204700 CPU: 815.68, 0.00397828/step Wall: 815.68, 0.00397828/step, 0.32633 hours remaining, 109.511719 MB of memory in use. ENERGY: 204700 641.7584 1889.1012 2032.5154 113.1642 -15.2318 -1048.4746 164.9096 0.0000 2714.0622 6491.8046 299.7757 3777.7425 6524.2165 301.2938 PRESSURE: 204800 0 0 0 0 0 0 0 0 0 GPRESSURE: 204800 0 0 0 0 0 0 0 0 0 PRESSAVG: 204800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204800 0 0 0 0 0 0 0 0 0 TIMING: 204800 CPU: 816.077, 0.00397436/step Wall: 816.077, 0.00397436/step, 0.325897 hours remaining, 109.511719 MB of memory in use. ENERGY: 204800 641.3321 1895.3185 2006.4445 102.1260 -14.7074 -1018.0774 154.4118 0.0000 2732.6257 6499.4737 301.8261 3766.8480 6532.3299 300.9671 PRESSURE: 204900 0 0 0 0 0 0 0 0 0 GPRESSURE: 204900 0 0 0 0 0 0 0 0 0 PRESSAVG: 204900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 204900 0 0 0 0 0 0 0 0 0 TIMING: 204900 CPU: 816.475, 0.00397737/step Wall: 816.475, 0.00397737/step, 0.326034 hours remaining, 109.511719 MB of memory in use. ENERGY: 204900 673.2218 1914.5264 2014.1776 111.8617 -13.7963 -1012.5650 161.8818 0.0000 2623.0201 6472.3281 289.7199 3849.3079 6499.4588 299.4332 PRESSURE: 205000 0 0 0 0 0 0 0 0 0 GPRESSURE: 205000 0 0 0 0 0 0 0 0 0 PRESSAVG: 205000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205000 0 0 0 0 0 0 0 0 0 TIMING: 205000 CPU: 816.872, 0.00397234/step Wall: 816.872, 0.00397234/step, 0.325511 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 205000 632.6544 1851.9811 2012.1123 105.3626 -13.6462 -1000.0908 155.7086 0.0000 2744.4921 6488.5742 303.1368 3744.0821 6523.1859 299.3849 PRESSURE: 205100 0 0 0 0 0 0 0 0 0 GPRESSURE: 205100 0 0 0 0 0 0 0 0 0 PRESSAVG: 205100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205100 0 0 0 0 0 0 0 0 0 TIMING: 205100 CPU: 817.27, 0.00397699/step Wall: 817.27, 0.00397699/step, 0.325782 hours remaining, 109.511719 MB of memory in use. ENERGY: 205100 658.6688 1878.7291 2031.5739 96.1686 -14.0945 -1037.3698 147.6735 0.0000 2697.8308 6459.1804 297.9829 3761.3496 6493.4860 300.4067 PRESSURE: 205200 0 0 0 0 0 0 0 0 0 GPRESSURE: 205200 0 0 0 0 0 0 0 0 0 PRESSAVG: 205200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205200 0 0 0 0 0 0 0 0 0 TIMING: 205200 CPU: 817.667, 0.00397368/step Wall: 817.667, 0.00397368/step, 0.3254 hours remaining, 109.511719 MB of memory in use. ENERGY: 205200 633.7276 1897.3291 2014.2400 100.1098 -14.0404 -1056.4911 169.6733 0.0000 2699.3060 6443.8543 298.1459 3744.5482 6475.9940 299.1212 PRESSURE: 205300 0 0 0 0 0 0 0 0 0 GPRESSURE: 205300 0 0 0 0 0 0 0 0 0 PRESSAVG: 205300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205300 0 0 0 0 0 0 0 0 0 TIMING: 205300 CPU: 818.065, 0.00397364/step Wall: 818.065, 0.00397364/step, 0.325287 hours remaining, 109.511719 MB of memory in use. ENERGY: 205300 651.0747 1915.9794 2025.0603 96.7777 -13.5132 -1062.6437 159.7063 0.0000 2655.6319 6428.0735 293.3219 3772.4416 6456.0753 296.2117 PRESSURE: 205400 0 0 0 0 0 0 0 0 0 GPRESSURE: 205400 0 0 0 0 0 0 0 0 0 PRESSAVG: 205400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205400 0 0 0 0 0 0 0 0 0 TIMING: 205400 CPU: 818.462, 0.00397554/step Wall: 818.462, 0.00397554/step, 0.325332 hours remaining, 109.511719 MB of memory in use. ENERGY: 205400 639.3686 1852.1397 2040.8333 105.2129 -14.4981 -1025.3055 153.4186 0.0000 2668.8779 6420.0473 294.7850 3751.1694 6449.1679 295.7741 PRESSURE: 205500 0 0 0 0 0 0 0 0 0 GPRESSURE: 205500 0 0 0 0 0 0 0 0 0 PRESSAVG: 205500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205500 0 0 0 0 0 0 0 0 0 TIMING: 205500 CPU: 818.86, 0.0039753/step Wall: 818.86, 0.0039753/step, 0.325201 hours remaining, 109.511719 MB of memory in use. ENERGY: 205500 657.9027 1887.9529 2036.4430 106.1238 -14.4728 -1045.5213 164.3458 0.0000 2626.6428 6419.4169 290.1200 3792.7741 6451.2041 296.9886 PRESSURE: 205600 0 0 0 0 0 0 0 0 0 GPRESSURE: 205600 0 0 0 0 0 0 0 0 0 PRESSAVG: 205600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205600 0 0 0 0 0 0 0 0 0 TIMING: 205600 CPU: 819.257, 0.00397341/step Wall: 819.257, 0.00397341/step, 0.324937 hours remaining, 109.511719 MB of memory in use. ENERGY: 205600 613.5679 1856.1630 2050.9560 103.9722 -13.9638 -1036.5804 167.1903 0.0000 2679.5399 6420.8450 295.9626 3741.3051 6456.8737 295.7979 PRESSURE: 205700 0 0 0 0 0 0 0 0 0 GPRESSURE: 205700 0 0 0 0 0 0 0 0 0 PRESSAVG: 205700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205700 0 0 0 0 0 0 0 0 0 TIMING: 205700 CPU: 819.654, 0.00397435/step Wall: 819.654, 0.00397435/step, 0.324903 hours remaining, 109.511719 MB of memory in use. ENERGY: 205700 657.4023 1917.3238 2001.7460 100.3455 -14.5180 -1063.1296 155.5066 0.0000 2705.4161 6460.0926 298.8207 3754.6765 6493.0072 297.3504 PRESSURE: 205800 0 0 0 0 0 0 0 0 0 GPRESSURE: 205800 0 0 0 0 0 0 0 0 0 PRESSAVG: 205800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205800 0 0 0 0 0 0 0 0 0 TIMING: 205800 CPU: 820.052, 0.0039745/step Wall: 820.052, 0.0039745/step, 0.324805 hours remaining, 109.511719 MB of memory in use. ENERGY: 205800 658.1979 1863.4631 2021.2795 98.4008 -14.6968 -1038.8736 160.5705 0.0000 2689.8898 6438.2313 297.1058 3748.3414 6470.0330 298.5563 PRESSURE: 205900 0 0 0 0 0 0 0 0 0 GPRESSURE: 205900 0 0 0 0 0 0 0 0 0 PRESSAVG: 205900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 205900 0 0 0 0 0 0 0 0 0 TIMING: 205900 CPU: 820.45, 0.0039781/step Wall: 820.45, 0.0039781/step, 0.324989 hours remaining, 109.511719 MB of memory in use. ENERGY: 205900 678.7831 1860.3576 1999.9480 109.9598 -14.3625 -1040.9610 169.0272 0.0000 2688.1329 6450.8852 296.9118 3762.7523 6483.7327 299.1287 PRESSURE: 206000 0 0 0 0 0 0 0 0 0 GPRESSURE: 206000 0 0 0 0 0 0 0 0 0 PRESSAVG: 206000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206000 0 0 0 0 0 0 0 0 0 TIMING: 206000 CPU: 820.847, 0.00397416/step Wall: 820.847, 0.00397416/step, 0.324556 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 206000 687.4270 1845.2887 2015.8582 112.9506 -14.7424 -1044.9340 179.1130 0.0000 2671.5370 6452.4981 295.0787 3780.9611 6484.5019 297.1745 PRESSURE: 206100 0 0 0 0 0 0 0 0 0 GPRESSURE: 206100 0 0 0 0 0 0 0 0 0 PRESSAVG: 206100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206100 0 0 0 0 0 0 0 0 0 TIMING: 206100 CPU: 821.245, 0.00397472/step Wall: 821.245, 0.00397472/step, 0.324492 hours remaining, 109.511719 MB of memory in use. ENERGY: 206100 652.6533 1870.3659 2016.9771 107.5524 -14.7242 -1045.6412 155.2989 0.0000 2704.1907 6446.6729 298.6854 3742.4822 6480.8271 296.9926 PRESSURE: 206200 0 0 0 0 0 0 0 0 0 GPRESSURE: 206200 0 0 0 0 0 0 0 0 0 PRESSAVG: 206200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206200 0 0 0 0 0 0 0 0 0 TIMING: 206200 CPU: 821.642, 0.0039776/step Wall: 821.642, 0.0039776/step, 0.324616 hours remaining, 109.511719 MB of memory in use. ENERGY: 206200 645.6058 1923.8365 2036.4400 107.1436 -14.7606 -1048.1804 149.9385 0.0000 2673.0849 6473.1083 295.2497 3800.0234 6503.3719 298.4774 PRESSURE: 206300 0 0 0 0 0 0 0 0 0 GPRESSURE: 206300 0 0 0 0 0 0 0 0 0 PRESSAVG: 206300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206300 0 0 0 0 0 0 0 0 0 TIMING: 206300 CPU: 822.04, 0.00397369/step Wall: 822.04, 0.00397369/step, 0.324187 hours remaining, 109.511719 MB of memory in use. ENERGY: 206300 636.2855 1888.5586 2034.5055 97.1926 -14.2842 -1042.2591 162.4783 0.0000 2669.7587 6432.2358 294.8823 3762.4771 6465.4234 298.1457 PRESSURE: 206400 0 0 0 0 0 0 0 0 0 GPRESSURE: 206400 0 0 0 0 0 0 0 0 0 PRESSAVG: 206400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206400 0 0 0 0 0 0 0 0 0 TIMING: 206400 CPU: 822.437, 0.00397582/step Wall: 822.437, 0.00397582/step, 0.32425 hours remaining, 109.511719 MB of memory in use. ENERGY: 206400 672.1454 1850.4538 2006.6856 98.5977 -14.5367 -1023.9923 151.1258 0.0000 2696.8174 6437.2967 297.8710 3740.4792 6474.0606 297.6026 PRESSURE: 206500 0 0 0 0 0 0 0 0 0 GPRESSURE: 206500 0 0 0 0 0 0 0 0 0 PRESSAVG: 206500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206500 0 0 0 0 0 0 0 0 0 TIMING: 206500 CPU: 822.835, 0.00397276/step Wall: 822.835, 0.00397275/step, 0.323889 hours remaining, 109.511719 MB of memory in use. ENERGY: 206500 659.5064 1882.5488 2020.4050 116.3734 -13.3617 -1060.1262 177.0360 0.0000 2681.6834 6464.0653 296.1994 3782.3819 6495.8261 297.2231 PRESSURE: 206600 0 0 0 0 0 0 0 0 0 GPRESSURE: 206600 0 0 0 0 0 0 0 0 0 PRESSAVG: 206600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206600 0 0 0 0 0 0 0 0 0 TIMING: 206600 CPU: 823.232, 0.00397375/step Wall: 823.232, 0.00397376/step, 0.323861 hours remaining, 109.511719 MB of memory in use. ENERGY: 206600 645.7986 1885.7532 2024.3991 101.6866 -13.6285 -1038.9931 149.8721 0.0000 2688.3204 6443.2084 296.9325 3754.8880 6476.5263 298.3793 PRESSURE: 206700 0 0 0 0 0 0 0 0 0 GPRESSURE: 206700 0 0 0 0 0 0 0 0 0 PRESSAVG: 206700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206700 0 0 0 0 0 0 0 0 0 TIMING: 206700 CPU: 823.63, 0.00397857/step Wall: 823.63, 0.00397857/step, 0.324143 hours remaining, 109.511719 MB of memory in use. ENERGY: 206700 671.1684 1870.4066 2013.2540 115.1689 -14.6023 -1057.0811 160.2813 0.0000 2727.8636 6486.4594 301.3001 3758.5958 6517.4906 299.1024 PRESSURE: 206800 0 0 0 0 0 0 0 0 0 GPRESSURE: 206800 0 0 0 0 0 0 0 0 0 PRESSAVG: 206800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206800 0 0 0 0 0 0 0 0 0 TIMING: 206800 CPU: 824.027, 0.00397425/step Wall: 824.027, 0.00397425/step, 0.323681 hours remaining, 109.511719 MB of memory in use. ENERGY: 206800 631.3736 1931.6089 1987.8069 99.2180 -14.0257 -1048.3717 159.2762 0.0000 2711.0490 6457.9352 299.4429 3746.8861 6492.5772 297.9525 PRESSURE: 206900 0 0 0 0 0 0 0 0 0 GPRESSURE: 206900 0 0 0 0 0 0 0 0 0 PRESSAVG: 206900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 206900 0 0 0 0 0 0 0 0 0 TIMING: 206900 CPU: 824.425, 0.00397704/step Wall: 824.425, 0.00397703/step, 0.323796 hours remaining, 109.511719 MB of memory in use. ENERGY: 206900 658.1526 1897.8576 2014.9518 95.4708 -13.9790 -1061.4296 161.9136 0.0000 2714.4011 6467.3387 299.8132 3752.9377 6499.6218 297.4373 PRESSURE: 207000 0 0 0 0 0 0 0 0 0 GPRESSURE: 207000 0 0 0 0 0 0 0 0 0 PRESSAVG: 207000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207000 0 0 0 0 0 0 0 0 0 TIMING: 207000 CPU: 824.822, 0.00397411/step Wall: 824.822, 0.00397412/step, 0.323449 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 207000 646.1300 1874.7152 2027.0342 105.5252 -14.8165 -1052.5027 160.9893 0.0000 2679.4932 6426.5680 295.9575 3747.0748 6462.5646 296.7997 PRESSURE: 207100 0 0 0 0 0 0 0 0 0 GPRESSURE: 207100 0 0 0 0 0 0 0 0 0 PRESSAVG: 207100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207100 0 0 0 0 0 0 0 0 0 TIMING: 207100 CPU: 825.22, 0.00397521/step Wall: 825.22, 0.00397521/step, 0.323428 hours remaining, 109.511719 MB of memory in use. ENERGY: 207100 651.2761 1911.2752 2032.1706 121.4234 -14.3613 -1066.8934 159.4777 0.0000 2619.9193 6414.2876 289.3774 3794.3683 6442.6115 294.9199 PRESSURE: 207200 0 0 0 0 0 0 0 0 0 GPRESSURE: 207200 0 0 0 0 0 0 0 0 0 PRESSAVG: 207200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207200 0 0 0 0 0 0 0 0 0 TIMING: 207200 CPU: 825.617, 0.00397508/step Wall: 825.617, 0.00397508/step, 0.323306 hours remaining, 109.511719 MB of memory in use. ENERGY: 207200 643.4027 1881.0757 2014.3539 114.0475 -13.4080 -1054.8039 159.8305 0.0000 2678.9497 6423.4482 295.8975 3744.4985 6455.4007 294.9249 PRESSURE: 207300 0 0 0 0 0 0 0 0 0 GPRESSURE: 207300 0 0 0 0 0 0 0 0 0 PRESSAVG: 207300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207300 0 0 0 0 0 0 0 0 0 TIMING: 207300 CPU: 826.015, 0.00397681/step Wall: 826.015, 0.00397681/step, 0.323337 hours remaining, 109.511719 MB of memory in use. ENERGY: 207300 648.0929 1862.8629 2044.9695 104.9464 -13.2124 -1031.8485 160.3960 0.0000 2591.2574 6367.4640 286.2116 3776.2067 6396.5442 294.1885 PRESSURE: 207400 0 0 0 0 0 0 0 0 0 GPRESSURE: 207400 0 0 0 0 0 0 0 0 0 PRESSAVG: 207400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207400 0 0 0 0 0 0 0 0 0 TIMING: 207400 CPU: 826.413, 0.0039782/step Wall: 826.413, 0.0039782/step, 0.323339 hours remaining, 109.511719 MB of memory in use. ENERGY: 207400 656.5919 1906.7642 2010.0601 101.9652 -14.1573 -1052.6052 158.3110 0.0000 2648.0067 6414.9366 292.4797 3766.9299 6446.1015 292.5703 PRESSURE: 207500 0 0 0 0 0 0 0 0 0 GPRESSURE: 207500 0 0 0 0 0 0 0 0 0 PRESSAVG: 207500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207500 0 0 0 0 0 0 0 0 0 TIMING: 207500 CPU: 826.81, 0.00397251/step Wall: 826.81, 0.00397251/step, 0.322766 hours remaining, 109.511719 MB of memory in use. ENERGY: 207500 637.0077 1878.4055 2009.7580 97.8386 -13.5443 -1058.5623 163.3617 0.0000 2694.4200 6408.6849 297.6062 3714.2649 6441.5402 294.6986 PRESSURE: 207600 0 0 0 0 0 0 0 0 0 GPRESSURE: 207600 0 0 0 0 0 0 0 0 0 PRESSAVG: 207600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207600 0 0 0 0 0 0 0 0 0 TIMING: 207600 CPU: 827.208, 0.00397616/step Wall: 827.208, 0.00397616/step, 0.322953 hours remaining, 109.511719 MB of memory in use. ENERGY: 207600 665.0412 1864.8203 2000.5843 103.5778 -14.1062 -1040.2259 156.6758 0.0000 2733.0601 6469.4275 301.8741 3736.3674 6500.5176 295.6964 PRESSURE: 207700 0 0 0 0 0 0 0 0 0 GPRESSURE: 207700 0 0 0 0 0 0 0 0 0 PRESSAVG: 207700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207700 0 0 0 0 0 0 0 0 0 TIMING: 207700 CPU: 827.605, 0.0039766/step Wall: 827.605, 0.0039766/step, 0.322878 hours remaining, 109.511719 MB of memory in use. ENERGY: 207700 638.3627 1869.1532 1998.8262 97.9199 -14.2911 -1040.0500 169.4630 0.0000 2764.0713 6483.4551 305.2994 3719.3838 6517.9961 299.7333 PRESSURE: 207800 0 0 0 0 0 0 0 0 0 GPRESSURE: 207800 0 0 0 0 0 0 0 0 0 PRESSAVG: 207800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207800 0 0 0 0 0 0 0 0 0 TIMING: 207800 CPU: 828.003, 0.00397345/step Wall: 828.003, 0.00397345/step, 0.322512 hours remaining, 109.511719 MB of memory in use. ENERGY: 207800 684.8311 1852.4084 2024.9789 107.6911 -13.3907 -1092.4185 170.4768 0.0000 2750.0059 6484.5832 303.7458 3734.5772 6518.4095 299.2656 PRESSURE: 207900 0 0 0 0 0 0 0 0 0 GPRESSURE: 207900 0 0 0 0 0 0 0 0 0 PRESSAVG: 207900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 207900 0 0 0 0 0 0 0 0 0 TIMING: 207900 CPU: 828.401, 0.00398011/step Wall: 828.401, 0.00398011/step, 0.322942 hours remaining, 109.511719 MB of memory in use. ENERGY: 207900 631.6294 1883.5197 2009.7253 104.6721 -14.1727 -1012.9402 165.1688 0.0000 2668.2421 6435.8445 294.7148 3767.6023 6467.6745 297.7252 PRESSURE: 208000 0 0 0 0 0 0 0 0 0 GPRESSURE: 208000 0 0 0 0 0 0 0 0 0 PRESSAVG: 208000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208000 0 0 0 0 0 0 0 0 0 TIMING: 208000 CPU: 828.798, 0.00397663/step Wall: 828.798, 0.00397663/step, 0.322549 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 208000 666.5915 1891.9742 2017.2038 93.7780 -13.3805 -1078.1899 174.5225 0.0000 2709.4792 6461.9787 299.2695 3752.4996 6495.4014 297.3251 PRESSURE: 208100 0 0 0 0 0 0 0 0 0 GPRESSURE: 208100 0 0 0 0 0 0 0 0 0 PRESSAVG: 208100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208100 0 0 0 0 0 0 0 0 0 TIMING: 208100 CPU: 829.196, 0.00397229/step Wall: 829.196, 0.00397229/step, 0.322086 hours remaining, 109.511719 MB of memory in use. ENERGY: 208100 662.1212 1858.1476 2033.9215 102.5172 -13.0696 -1043.8394 167.7398 0.0000 2705.6658 6473.2043 298.8483 3767.5385 6504.0124 298.5184 PRESSURE: 208200 0 0 0 0 0 0 0 0 0 GPRESSURE: 208200 0 0 0 0 0 0 0 0 0 PRESSAVG: 208200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208200 0 0 0 0 0 0 0 0 0 TIMING: 208200 CPU: 829.594, 0.0039789/step Wall: 829.594, 0.0039789/step, 0.322512 hours remaining, 109.511719 MB of memory in use. ENERGY: 208200 659.9495 1874.4231 2040.1369 131.3539 -13.0724 -1066.7432 160.2240 0.0000 2687.8112 6474.0830 296.8762 3786.2718 6507.9933 298.3347 LDB: ============= START OF LOAD BALANCING ============== 832.369 LDB: ============== END OF LOAD BALANCING =============== 832.369 LDB: =============== DONE WITH MIGRATION ================ 832.369 PRESSURE: 208300 0 0 0 0 0 0 0 0 0 GPRESSURE: 208300 0 0 0 0 0 0 0 0 0 PRESSAVG: 208300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208300 0 0 0 0 0 0 0 0 0 TIMING: 208300 CPU: 829.991, 0.00397658/step Wall: 829.991, 0.00397658/step, 0.322213 hours remaining, 109.511719 MB of memory in use. ENERGY: 208300 615.2349 1904.0204 2016.8658 103.0449 -14.3340 -1061.4916 166.2009 0.0000 2740.6183 6470.1596 302.7089 3729.5414 6504.4298 298.8001 LDB: ============= START OF LOAD BALANCING ============== 832.767 LDB: ============== END OF LOAD BALANCING =============== 832.767 LDB: =============== DONE WITH MIGRATION ================ 832.767 PRESSURE: 208400 0 0 0 0 0 0 0 0 0 GPRESSURE: 208400 0 0 0 0 0 0 0 0 0 PRESSAVG: 208400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208400 0 0 0 0 0 0 0 0 0 TIMING: 208400 CPU: 830.39, 0.0039843/step Wall: 830.39, 0.0039843/step, 0.322728 hours remaining, 109.511719 MB of memory in use. ENERGY: 208400 649.0446 1894.8006 2004.4727 120.1397 -14.0047 -1049.6975 159.9172 0.0000 2692.6997 6457.3724 297.4162 3764.6726 6491.1639 297.8816 PRESSURE: 208500 0 0 0 0 0 0 0 0 0 GPRESSURE: 208500 0 0 0 0 0 0 0 0 0 PRESSAVG: 208500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208500 0 0 0 0 0 0 0 0 0 TIMING: 208500 CPU: 830.789, 0.00398835/step Wall: 830.789, 0.00398835/step, 0.322946 hours remaining, 109.511719 MB of memory in use. ENERGY: 208500 665.5655 1890.0382 2031.4082 96.3328 -13.9113 -1051.8794 166.9892 0.0000 2658.0737 6442.6168 293.5916 3784.5431 6475.6483 296.8271 PRESSURE: 208600 0 0 0 0 0 0 0 0 0 GPRESSURE: 208600 0 0 0 0 0 0 0 0 0 PRESSAVG: 208600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208600 0 0 0 0 0 0 0 0 0 TIMING: 208600 CPU: 831.186, 0.00397278/step Wall: 831.186, 0.00397278/step, 0.321575 hours remaining, 109.511719 MB of memory in use. ENERGY: 208600 644.3247 1858.9600 2016.1891 118.5642 -13.5954 -1055.4708 161.4783 0.0000 2706.2997 6436.7496 298.9183 3730.4499 6468.8578 297.4586 PRESSURE: 208700 0 0 0 0 0 0 0 0 0 GPRESSURE: 208700 0 0 0 0 0 0 0 0 0 PRESSAVG: 208700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208700 0 0 0 0 0 0 0 0 0 TIMING: 208700 CPU: 831.584, 0.00397959/step Wall: 831.584, 0.00397959/step, 0.322015 hours remaining, 109.511719 MB of memory in use. ENERGY: 208700 650.0023 1923.4186 1981.5922 101.6394 -13.5618 -1061.5789 161.6034 0.0000 2725.8742 6468.9895 301.0804 3743.1153 6504.7941 297.5762 PRESSURE: 208800 0 0 0 0 0 0 0 0 0 GPRESSURE: 208800 0 0 0 0 0 0 0 0 0 PRESSAVG: 208800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208800 0 0 0 0 0 0 0 0 0 TIMING: 208800 CPU: 831.981, 0.00397512/step Wall: 831.981, 0.00397512/step, 0.321543 hours remaining, 109.511719 MB of memory in use. ENERGY: 208800 689.3933 1882.5176 2013.0694 99.5219 -14.5091 -1045.0724 152.0088 0.0000 2702.1890 6479.1185 298.4643 3776.9295 6511.2974 299.4336 PRESSURE: 208900 0 0 0 0 0 0 0 0 0 GPRESSURE: 208900 0 0 0 0 0 0 0 0 0 PRESSAVG: 208900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 208900 0 0 0 0 0 0 0 0 0 TIMING: 208900 CPU: 832.379, 0.0039767/step Wall: 832.379, 0.0039767/step, 0.32156 hours remaining, 109.511719 MB of memory in use. ENERGY: 208900 643.6477 1915.0194 2018.3888 107.5429 -13.9758 -1017.3801 165.0935 0.0000 2671.2272 6489.5636 295.0445 3818.3364 6520.9520 298.9748 PRESSURE: 209000 0 0 0 0 0 0 0 0 0 GPRESSURE: 209000 0 0 0 0 0 0 0 0 0 PRESSAVG: 209000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209000 0 0 0 0 0 0 0 0 0 TIMING: 209000 CPU: 832.777, 0.00398084/step Wall: 832.777, 0.00398084/step, 0.321785 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 209000 635.6865 1866.5728 2010.3699 97.6331 -13.4934 -1057.1867 157.9987 0.0000 2745.9546 6443.5355 303.2983 3697.5810 6477.4211 298.6121 PRESSURE: 209100 0 0 0 0 0 0 0 0 0 GPRESSURE: 209100 0 0 0 0 0 0 0 0 0 PRESSAVG: 209100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209100 0 0 0 0 0 0 0 0 0 TIMING: 209100 CPU: 833.174, 0.00397455/step Wall: 833.174, 0.00397455/step, 0.321166 hours remaining, 109.511719 MB of memory in use. ENERGY: 209100 660.0431 1893.6316 2017.7790 100.3459 -15.6739 -1039.0107 164.9166 0.0000 2678.0510 6460.0826 295.7982 3782.0316 6492.0748 297.0378 PRESSURE: 209200 0 0 0 0 0 0 0 0 0 GPRESSURE: 209200 0 0 0 0 0 0 0 0 0 PRESSAVG: 209200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209200 0 0 0 0 0 0 0 0 0 TIMING: 209200 CPU: 833.573, 0.00398515/step Wall: 833.573, 0.00398515/step, 0.321912 hours remaining, 109.511719 MB of memory in use. ENERGY: 209200 674.2780 1935.9140 2027.3009 103.3996 -13.7618 -1060.0588 158.4064 0.0000 2645.3821 6470.8606 292.1898 3825.4785 6500.7687 297.8418 PRESSURE: 209300 0 0 0 0 0 0 0 0 0 GPRESSURE: 209300 0 0 0 0 0 0 0 0 0 PRESSAVG: 209300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209300 0 0 0 0 0 0 0 0 0 TIMING: 209300 CPU: 833.97, 0.00397348/step Wall: 833.97, 0.00397348/step, 0.320859 hours remaining, 109.511719 MB of memory in use. ENERGY: 209300 668.0284 1884.7114 2028.1327 101.8766 -14.1895 -1048.3442 169.9306 0.0000 2699.3011 6489.4470 298.1453 3790.1459 6522.6143 300.6787 PRESSURE: 209400 0 0 0 0 0 0 0 0 0 GPRESSURE: 209400 0 0 0 0 0 0 0 0 0 PRESSAVG: 209400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209400 0 0 0 0 0 0 0 0 0 TIMING: 209400 CPU: 834.368, 0.00397702/step Wall: 834.368, 0.00397702/step, 0.321034 hours remaining, 109.511719 MB of memory in use. ENERGY: 209400 637.8067 1913.2184 1998.4091 98.4582 -13.8310 -1037.0734 161.8099 0.0000 2702.1892 6460.9870 298.4643 3758.7978 6494.3679 298.1912 PRESSURE: 209500 0 0 0 0 0 0 0 0 0 GPRESSURE: 209500 0 0 0 0 0 0 0 0 0 PRESSAVG: 209500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209500 0 0 0 0 0 0 0 0 0 TIMING: 209500 CPU: 834.766, 0.00397984/step Wall: 834.766, 0.00397984/step, 0.321151 hours remaining, 109.511719 MB of memory in use. ENERGY: 209500 650.6574 1881.2667 2005.7787 108.5320 -13.1881 -1023.5626 150.2236 0.0000 2695.2949 6455.0027 297.7028 3759.7078 6485.4539 298.5863 PRESSURE: 209600 0 0 0 0 0 0 0 0 0 GPRESSURE: 209600 0 0 0 0 0 0 0 0 0 PRESSAVG: 209600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209600 0 0 0 0 0 0 0 0 0 TIMING: 209600 CPU: 835.163, 0.00397197/step Wall: 835.163, 0.00397197/step, 0.320406 hours remaining, 109.511719 MB of memory in use. ENERGY: 209600 644.7452 1835.5595 2027.3914 105.4377 -14.3702 -1058.2936 156.1078 0.0000 2738.9871 6435.5648 302.5288 3696.5777 6469.3872 297.4315 PRESSURE: 209700 0 0 0 0 0 0 0 0 0 GPRESSURE: 209700 0 0 0 0 0 0 0 0 0 PRESSAVG: 209700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209700 0 0 0 0 0 0 0 0 0 TIMING: 209700 CPU: 835.561, 0.00398082/step Wall: 835.561, 0.00398081/step, 0.321008 hours remaining, 109.511719 MB of memory in use. ENERGY: 209700 659.4941 1847.6591 2024.9031 96.9265 -12.3686 -1071.0054 163.1071 0.0000 2714.1808 6422.8966 299.7888 3708.7158 6457.5986 295.9603 PRESSURE: 209800 0 0 0 0 0 0 0 0 0 GPRESSURE: 209800 0 0 0 0 0 0 0 0 0 PRESSAVG: 209800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209800 0 0 0 0 0 0 0 0 0 TIMING: 209800 CPU: 835.959, 0.00397569/step Wall: 835.959, 0.0039757/step, 0.320486 hours remaining, 109.511719 MB of memory in use. ENERGY: 209800 631.2542 1858.4030 2025.7752 107.5786 -13.5119 -1048.4231 158.5018 0.0000 2711.6133 6431.1909 299.5052 3719.5776 6468.6344 297.7745 PRESSURE: 209900 0 0 0 0 0 0 0 0 0 GPRESSURE: 209900 0 0 0 0 0 0 0 0 0 PRESSAVG: 209900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 209900 0 0 0 0 0 0 0 0 0 TIMING: 209900 CPU: 836.356, 0.00397536/step Wall: 836.356, 0.00397536/step, 0.320348 hours remaining, 109.511719 MB of memory in use. ENERGY: 209900 678.1240 1811.4540 2014.5366 101.7625 -15.4785 -1064.3566 157.3891 0.0000 2754.8555 6438.2865 304.2815 3683.4310 6474.9088 298.0821 PRESSURE: 210000 0 0 0 0 0 0 0 0 0 GPRESSURE: 210000 0 0 0 0 0 0 0 0 0 PRESSAVG: 210000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210000 0 0 0 0 0 0 0 0 0 TIMING: 210000 CPU: 836.755, 0.0039831/step Wall: 836.755, 0.00398309/step, 0.32086 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 210000 626.9828 1864.0391 2017.0412 112.7989 -13.7611 -1048.7694 161.2871 0.0000 2720.2343 6439.8528 300.4575 3719.6185 6474.7344 296.4747 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 210000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 210000 WRITING COORDINATES TO RESTART FILE AT STEP 210000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 210000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 210100 0 0 0 0 0 0 0 0 0 GPRESSURE: 210100 0 0 0 0 0 0 0 0 0 PRESSAVG: 210100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210100 0 0 0 0 0 0 0 0 0 TIMING: 210100 CPU: 837.212, 0.00456836/step Wall: 837.212, 0.00456837/step, 0.367881 hours remaining, 109.511719 MB of memory in use. ENERGY: 210100 630.1818 1852.2071 2014.7088 110.5148 -14.3533 -1028.8682 159.1112 0.0000 2731.6473 6455.1494 301.7181 3723.5021 6489.1534 296.8495 PRESSURE: 210200 0 0 0 0 0 0 0 0 0 GPRESSURE: 210200 0 0 0 0 0 0 0 0 0 PRESSAVG: 210200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210200 0 0 0 0 0 0 0 0 0 TIMING: 210200 CPU: 837.61, 0.00398427/step Wall: 837.61, 0.00398427/step, 0.320734 hours remaining, 109.511719 MB of memory in use. ENERGY: 210200 612.4316 1906.2728 2007.6077 117.2796 -14.7758 -1047.1107 163.5312 0.0000 2715.8548 6461.0911 299.9737 3745.2363 6495.7959 299.2041 PRESSURE: 210300 0 0 0 0 0 0 0 0 0 GPRESSURE: 210300 0 0 0 0 0 0 0 0 0 PRESSAVG: 210300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210300 0 0 0 0 0 0 0 0 0 TIMING: 210300 CPU: 838.048, 0.00437859/step Wall: 838.048, 0.00437859/step, 0.352355 hours remaining, 109.511719 MB of memory in use. ENERGY: 210300 668.2212 1896.5867 2042.1286 106.6676 -15.1092 -1063.5867 185.0215 0.0000 2657.1502 6477.0799 293.4896 3819.9297 6506.2675 298.8033 PRESSURE: 210400 0 0 0 0 0 0 0 0 0 GPRESSURE: 210400 0 0 0 0 0 0 0 0 0 PRESSAVG: 210400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210400 0 0 0 0 0 0 0 0 0 TIMING: 210400 CPU: 838.446, 0.00398244/step Wall: 838.446, 0.00398244/step, 0.320365 hours remaining, 109.511719 MB of memory in use. ENERGY: 210400 658.7533 1858.4495 2022.4310 101.9195 -15.5101 -1016.8131 154.0990 0.0000 2698.2109 6461.5401 298.0249 3763.3292 6493.8269 299.1534 PRESSURE: 210500 0 0 0 0 0 0 0 0 0 GPRESSURE: 210500 0 0 0 0 0 0 0 0 0 PRESSAVG: 210500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210500 0 0 0 0 0 0 0 0 0 TIMING: 210500 CPU: 838.844, 0.00397592/step Wall: 838.844, 0.00397592/step, 0.31973 hours remaining, 109.511719 MB of memory in use. ENERGY: 210500 656.0140 1855.7632 2013.4137 101.6597 -13.0920 -1052.6138 162.2445 0.0000 2710.2213 6433.6107 299.3515 3723.3894 6466.4260 297.8251 PRESSURE: 210600 0 0 0 0 0 0 0 0 0 GPRESSURE: 210600 0 0 0 0 0 0 0 0 0 PRESSAVG: 210600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210600 0 0 0 0 0 0 0 0 0 TIMING: 210600 CPU: 839.241, 0.00397318/step Wall: 839.241, 0.00397317/step, 0.319399 hours remaining, 109.511719 MB of memory in use. ENERGY: 210600 614.5484 1883.7212 2013.7448 108.2211 -14.7547 -1016.3433 153.3827 0.0000 2691.1403 6433.6606 297.2439 3742.5203 6467.7092 296.2699 PRESSURE: 210700 0 0 0 0 0 0 0 0 0 GPRESSURE: 210700 0 0 0 0 0 0 0 0 0 PRESSAVG: 210700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210700 0 0 0 0 0 0 0 0 0 TIMING: 210700 CPU: 839.639, 0.00398055/step Wall: 839.639, 0.00398056/step, 0.319882 hours remaining, 109.511719 MB of memory in use. ENERGY: 210700 643.2264 1898.7211 2030.0258 100.2291 -12.8183 -1030.4827 166.4808 0.0000 2661.6228 6457.0050 293.9836 3795.3822 6490.5328 297.6953 PRESSURE: 210800 0 0 0 0 0 0 0 0 0 GPRESSURE: 210800 0 0 0 0 0 0 0 0 0 PRESSAVG: 210800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210800 0 0 0 0 0 0 0 0 0 TIMING: 210800 CPU: 840.036, 0.00397082/step Wall: 840.036, 0.00397082/step, 0.318989 hours remaining, 109.511719 MB of memory in use. ENERGY: 210800 649.2832 1894.8178 2017.7170 99.5805 -14.3341 -1021.3885 183.1562 0.0000 2688.2827 6497.1147 296.9283 3808.8320 6530.9133 297.6922 PRESSURE: 210900 0 0 0 0 0 0 0 0 0 GPRESSURE: 210900 0 0 0 0 0 0 0 0 0 PRESSAVG: 210900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 210900 0 0 0 0 0 0 0 0 0 TIMING: 210900 CPU: 840.434, 0.00397594/step Wall: 840.434, 0.00397594/step, 0.31929 hours remaining, 109.511719 MB of memory in use. ENERGY: 210900 644.2057 1932.1199 2009.1702 108.8696 -13.7804 -1075.5214 180.0285 0.0000 2712.7788 6497.8708 299.6340 3785.0920 6531.5945 299.8922 PRESSURE: 211000 0 0 0 0 0 0 0 0 0 GPRESSURE: 211000 0 0 0 0 0 0 0 0 0 PRESSAVG: 211000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211000 0 0 0 0 0 0 0 0 0 TIMING: 211000 CPU: 840.832, 0.00397995/step Wall: 840.832, 0.00397995/step, 0.319502 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 211000 671.8225 1922.9651 2025.0100 95.4288 -13.7524 -1053.1750 161.9061 0.0000 2703.1473 6513.3525 298.5702 3810.2052 6545.2758 300.8683 PRESSURE: 211100 0 0 0 0 0 0 0 0 0 GPRESSURE: 211100 0 0 0 0 0 0 0 0 0 PRESSAVG: 211100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211100 0 0 0 0 0 0 0 0 0 TIMING: 211100 CPU: 841.229, 0.0039728/step Wall: 841.229, 0.0039728/step, 0.318817 hours remaining, 109.511719 MB of memory in use. ENERGY: 211100 637.0455 1930.8729 2034.6793 107.6569 -13.5242 -1010.2500 162.2289 0.0000 2688.9076 6537.6168 296.9973 3848.7092 6569.4338 300.9022 PRESSURE: 211200 0 0 0 0 0 0 0 0 0 GPRESSURE: 211200 0 0 0 0 0 0 0 0 0 PRESSAVG: 211200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211200 0 0 0 0 0 0 0 0 0 TIMING: 211200 CPU: 841.627, 0.0039822/step Wall: 841.627, 0.0039822/step, 0.319461 hours remaining, 109.511719 MB of memory in use. ENERGY: 211200 670.6204 1860.5053 2038.2568 111.2995 -14.0546 -1027.7549 183.7353 0.0000 2731.5361 6554.1438 301.7058 3822.6078 6589.2539 302.4417 PRESSURE: 211300 0 0 0 0 0 0 0 0 0 GPRESSURE: 211300 0 0 0 0 0 0 0 0 0 PRESSAVG: 211300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211300 0 0 0 0 0 0 0 0 0 TIMING: 211300 CPU: 842.024, 0.00397188/step Wall: 842.024, 0.00397188/step, 0.318523 hours remaining, 109.511719 MB of memory in use. ENERGY: 211300 702.1573 1892.3903 2050.7282 101.6227 -13.8339 -1037.2732 176.4271 0.0000 2681.5277 6553.7463 296.1822 3872.2186 6581.5574 301.2633 PRESSURE: 211400 0 0 0 0 0 0 0 0 0 GPRESSURE: 211400 0 0 0 0 0 0 0 0 0 PRESSAVG: 211400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211400 0 0 0 0 0 0 0 0 0 TIMING: 211400 CPU: 842.422, 0.00397483/step Wall: 842.422, 0.00397483/step, 0.318649 hours remaining, 109.511719 MB of memory in use. ENERGY: 211400 659.3417 1891.1176 2037.3493 103.6310 -14.7148 -1038.1771 172.2464 0.0000 2741.3223 6552.1164 302.7867 3810.7941 6585.8271 302.4352 PRESSURE: 211500 0 0 0 0 0 0 0 0 0 GPRESSURE: 211500 0 0 0 0 0 0 0 0 0 PRESSAVG: 211500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211500 0 0 0 0 0 0 0 0 0 TIMING: 211500 CPU: 842.82, 0.0039798/step Wall: 842.82, 0.0039798/step, 0.318937 hours remaining, 109.511719 MB of memory in use. ENERGY: 211500 666.4272 1890.3806 2052.6951 106.0571 -14.4783 -1027.9228 180.3274 0.0000 2693.4009 6546.8873 297.4936 3853.4864 6576.4450 303.0977 PRESSURE: 211600 0 0 0 0 0 0 0 0 0 GPRESSURE: 211600 0 0 0 0 0 0 0 0 0 PRESSAVG: 211600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211600 0 0 0 0 0 0 0 0 0 TIMING: 211600 CPU: 843.217, 0.00397355/step Wall: 843.217, 0.00397355/step, 0.318326 hours remaining, 109.511719 MB of memory in use. ENERGY: 211600 685.9571 1953.7451 2027.5736 112.0667 -14.1699 -1086.3832 165.8771 0.0000 2695.0616 6539.7281 297.6771 3844.6665 6569.1512 302.1500 PRESSURE: 211700 0 0 0 0 0 0 0 0 0 GPRESSURE: 211700 0 0 0 0 0 0 0 0 0 PRESSAVG: 211700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211700 0 0 0 0 0 0 0 0 0 TIMING: 211700 CPU: 843.616, 0.00398313/step Wall: 843.616, 0.00398313/step, 0.318982 hours remaining, 109.511719 MB of memory in use. ENERGY: 211700 705.7912 1830.1602 2047.5397 99.0035 -14.5936 -1061.9274 170.4017 0.0000 2729.1705 6505.5458 301.4445 3776.3753 6539.7849 300.6284 PRESSURE: 211800 0 0 0 0 0 0 0 0 0 GPRESSURE: 211800 0 0 0 0 0 0 0 0 0 PRESSAVG: 211800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211800 0 0 0 0 0 0 0 0 0 TIMING: 211800 CPU: 844.013, 0.00397589/step Wall: 844.013, 0.00397589/step, 0.318292 hours remaining, 109.511719 MB of memory in use. ENERGY: 211800 679.5067 1866.7767 2049.4372 108.8990 -14.5289 -1075.4950 165.2731 0.0000 2743.3924 6523.2612 303.0153 3779.8688 6557.3569 300.4004 PRESSURE: 211900 0 0 0 0 0 0 0 0 0 GPRESSURE: 211900 0 0 0 0 0 0 0 0 0 PRESSAVG: 211900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 211900 0 0 0 0 0 0 0 0 0 TIMING: 211900 CPU: 844.411, 0.00397441/step Wall: 844.411, 0.00397441/step, 0.318063 hours remaining, 109.511719 MB of memory in use. ENERGY: 211900 669.2184 1851.7454 2047.8162 103.3195 -14.2252 -1044.0133 168.1616 0.0000 2716.5774 6498.5999 300.0535 3782.0226 6533.2963 301.9059 PRESSURE: 212000 0 0 0 0 0 0 0 0 0 GPRESSURE: 212000 0 0 0 0 0 0 0 0 0 PRESSAVG: 212000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212000 0 0 0 0 0 0 0 0 0 TIMING: 212000 CPU: 844.809, 0.00398003/step Wall: 844.809, 0.00398003/step, 0.318402 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 212000 627.6071 1870.2067 2024.8035 115.7145 -14.6103 -1033.4718 158.0920 0.0000 2778.5801 6526.9217 306.9019 3748.3417 6561.6965 301.0348 PRESSURE: 212100 0 0 0 0 0 0 0 0 0 GPRESSURE: 212100 0 0 0 0 0 0 0 0 0 PRESSAVG: 212100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212100 0 0 0 0 0 0 0 0 0 TIMING: 212100 CPU: 845.206, 0.00397344/step Wall: 845.206, 0.00397343/step, 0.317764 hours remaining, 109.511719 MB of memory in use. ENERGY: 212100 647.3427 1851.6769 2033.3218 93.8500 -14.8659 -1018.1932 171.9063 0.0000 2735.8199 6500.8584 302.1789 3765.0385 6533.4136 300.3707 PRESSURE: 212200 0 0 0 0 0 0 0 0 0 GPRESSURE: 212200 0 0 0 0 0 0 0 0 0 PRESSAVG: 212200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212200 0 0 0 0 0 0 0 0 0 TIMING: 212200 CPU: 845.604, 0.0039831/step Wall: 845.604, 0.00398311/step, 0.318428 hours remaining, 109.511719 MB of memory in use. ENERGY: 212200 660.0895 1873.5258 2033.6149 107.0459 -14.4687 -1048.3572 168.1409 0.0000 2715.1728 6494.7638 299.8984 3779.5910 6529.2451 300.7260 LDB: ============= START OF LOAD BALANCING ============== 848.379 LDB: ============== END OF LOAD BALANCING =============== 848.379 LDB: =============== DONE WITH MIGRATION ================ 848.379 PRESSURE: 212300 0 0 0 0 0 0 0 0 0 GPRESSURE: 212300 0 0 0 0 0 0 0 0 0 PRESSAVG: 212300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212300 0 0 0 0 0 0 0 0 0 TIMING: 212300 CPU: 846.002, 0.00397493/step Wall: 846.002, 0.00397493/step, 0.317663 hours remaining, 109.511719 MB of memory in use. ENERGY: 212300 667.9985 1879.1267 2033.1848 102.0587 -14.0399 -1050.9147 180.5734 0.0000 2703.0226 6501.0102 298.5564 3797.9876 6532.1802 300.3593 LDB: ============= START OF LOAD BALANCING ============== 848.778 LDB: ============== END OF LOAD BALANCING =============== 848.778 LDB: =============== DONE WITH MIGRATION ================ 848.778 PRESSURE: 212400 0 0 0 0 0 0 0 0 0 GPRESSURE: 212400 0 0 0 0 0 0 0 0 0 PRESSAVG: 212400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212400 0 0 0 0 0 0 0 0 0 TIMING: 212400 CPU: 846.4, 0.00398558/step Wall: 846.4, 0.00398558/step, 0.318404 hours remaining, 109.511719 MB of memory in use. ENERGY: 212400 661.8807 1885.2639 2023.7366 120.3560 -15.2606 -1045.3494 181.1556 0.0000 2699.6629 6511.4458 298.1853 3811.7829 6546.2845 300.8321 PRESSURE: 212500 0 0 0 0 0 0 0 0 0 GPRESSURE: 212500 0 0 0 0 0 0 0 0 0 PRESSAVG: 212500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212500 0 0 0 0 0 0 0 0 0 TIMING: 212500 CPU: 846.798, 0.00397938/step Wall: 846.798, 0.00397938/step, 0.317798 hours remaining, 109.511719 MB of memory in use. ENERGY: 212500 650.5440 1888.2309 2030.0679 99.4897 -13.8284 -1056.5162 170.3676 0.0000 2736.9981 6505.3538 302.3091 3768.3557 6539.6712 301.4938 PRESSURE: 212600 0 0 0 0 0 0 0 0 0 GPRESSURE: 212600 0 0 0 0 0 0 0 0 0 PRESSAVG: 212600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212600 0 0 0 0 0 0 0 0 0 TIMING: 212600 CPU: 847.196, 0.00397442/step Wall: 847.196, 0.00397442/step, 0.317291 hours remaining, 109.511719 MB of memory in use. ENERGY: 212600 677.9926 1874.5076 2008.8279 100.6949 -14.1263 -1045.2324 171.2122 0.0000 2728.3018 6502.1783 301.3485 3773.8765 6536.7678 300.7676 PRESSURE: 212700 0 0 0 0 0 0 0 0 0 GPRESSURE: 212700 0 0 0 0 0 0 0 0 0 PRESSAVG: 212700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212700 0 0 0 0 0 0 0 0 0 TIMING: 212700 CPU: 847.594, 0.00398506/step Wall: 847.594, 0.00398506/step, 0.31803 hours remaining, 109.511719 MB of memory in use. ENERGY: 212700 640.0860 1895.6097 2020.8136 101.7164 -13.9086 -1083.0637 174.4137 0.0000 2770.7550 6506.4222 306.0376 3735.6671 6537.9977 300.2681 PRESSURE: 212800 0 0 0 0 0 0 0 0 0 GPRESSURE: 212800 0 0 0 0 0 0 0 0 0 PRESSAVG: 212800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212800 0 0 0 0 0 0 0 0 0 TIMING: 212800 CPU: 847.992, 0.0039744/step Wall: 847.992, 0.0039744/step, 0.317069 hours remaining, 109.511719 MB of memory in use. ENERGY: 212800 666.1089 1875.4677 2020.8302 105.7012 -14.4855 -1019.3760 162.6643 0.0000 2704.6521 6501.5628 298.7364 3796.9107 6530.5561 301.1674 PRESSURE: 212900 0 0 0 0 0 0 0 0 0 GPRESSURE: 212900 0 0 0 0 0 0 0 0 0 PRESSAVG: 212900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 212900 0 0 0 0 0 0 0 0 0 TIMING: 212900 CPU: 848.389, 0.00397657/step Wall: 848.389, 0.00397657/step, 0.317131 hours remaining, 109.511719 MB of memory in use. ENERGY: 212900 681.3017 1856.3527 2012.0441 98.2508 -14.6068 -1046.4687 165.8817 0.0000 2741.0184 6493.7739 302.7531 3752.7555 6528.9218 300.4814 PRESSURE: 213000 0 0 0 0 0 0 0 0 0 GPRESSURE: 213000 0 0 0 0 0 0 0 0 0 PRESSAVG: 213000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213000 0 0 0 0 0 0 0 0 0 TIMING: 213000 CPU: 848.787, 0.00398029/step Wall: 848.787, 0.00398029/step, 0.317318 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 213000 709.5907 1877.0651 2029.8672 102.1151 -13.7604 -1076.1621 160.0930 0.0000 2697.3507 6486.1594 297.9299 3788.8086 6520.5745 299.3569 PRESSURE: 213100 0 0 0 0 0 0 0 0 0 GPRESSURE: 213100 0 0 0 0 0 0 0 0 0 PRESSAVG: 213100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213100 0 0 0 0 0 0 0 0 0 TIMING: 213100 CPU: 849.185, 0.00397551/step Wall: 849.185, 0.00397551/step, 0.316826 hours remaining, 109.511719 MB of memory in use. ENERGY: 213100 675.7022 1902.3090 2031.6079 105.1691 -14.0715 -1073.6111 170.2830 0.0000 2715.4285 6512.8170 299.9266 3797.3885 6545.0826 300.6437 PRESSURE: 213200 0 0 0 0 0 0 0 0 0 GPRESSURE: 213200 0 0 0 0 0 0 0 0 0 PRESSAVG: 213200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213200 0 0 0 0 0 0 0 0 0 TIMING: 213200 CPU: 849.583, 0.00398508/step Wall: 849.583, 0.00398508/step, 0.317478 hours remaining, 109.511719 MB of memory in use. ENERGY: 213200 643.1888 1864.4164 2023.2298 97.3308 -13.5809 -1028.6651 169.0013 0.0000 2691.1410 6446.0621 297.2440 3754.9211 6478.4997 297.8462 PRESSURE: 213300 0 0 0 0 0 0 0 0 0 GPRESSURE: 213300 0 0 0 0 0 0 0 0 0 PRESSAVG: 213300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213300 0 0 0 0 0 0 0 0 0 TIMING: 213300 CPU: 849.981, 0.00397468/step Wall: 849.981, 0.00397468/step, 0.316539 hours remaining, 109.511719 MB of memory in use. ENERGY: 213300 639.7971 1911.9697 2006.4446 103.9396 -13.7817 -1034.8009 161.6421 0.0000 2672.3072 6447.5176 295.1638 3775.2104 6479.2598 296.2806 PRESSURE: 213400 0 0 0 0 0 0 0 0 0 GPRESSURE: 213400 0 0 0 0 0 0 0 0 0 PRESSAVG: 213400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213400 0 0 0 0 0 0 0 0 0 TIMING: 213400 CPU: 850.379, 0.00397947/step Wall: 850.379, 0.00397946/step, 0.316809 hours remaining, 109.511719 MB of memory in use. ENERGY: 213400 649.8080 1888.7304 2032.1788 115.6159 -14.4053 -1055.2658 158.3056 0.0000 2694.7805 6469.7480 297.6460 3774.9675 6502.2521 298.4681 PRESSURE: 213500 0 0 0 0 0 0 0 0 0 GPRESSURE: 213500 0 0 0 0 0 0 0 0 0 PRESSAVG: 213500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213500 0 0 0 0 0 0 0 0 0 TIMING: 213500 CPU: 850.777, 0.00398234/step Wall: 850.777, 0.00398235/step, 0.316929 hours remaining, 109.511719 MB of memory in use. ENERGY: 213500 628.1111 1920.1418 1994.1167 109.2651 -14.7363 -1054.4682 151.9878 0.0000 2717.1707 6451.5887 300.1191 3734.4181 6485.1288 298.0043 PRESSURE: 213600 0 0 0 0 0 0 0 0 0 GPRESSURE: 213600 0 0 0 0 0 0 0 0 0 PRESSAVG: 213600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213600 0 0 0 0 0 0 0 0 0 TIMING: 213600 CPU: 851.178, 0.00400959/step Wall: 851.178, 0.00400959/step, 0.318985 hours remaining, 109.511719 MB of memory in use. ENERGY: 213600 659.1624 1862.0181 2023.7122 93.2023 -15.4197 -1071.2380 153.0466 0.0000 2769.2614 6473.7453 305.8726 3704.4839 6509.4465 299.2556 PRESSURE: 213700 0 0 0 0 0 0 0 0 0 GPRESSURE: 213700 0 0 0 0 0 0 0 0 0 PRESSAVG: 213700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213700 0 0 0 0 0 0 0 0 0 TIMING: 213700 CPU: 851.577, 0.00398663/step Wall: 851.577, 0.00398663/step, 0.317048 hours remaining, 109.511719 MB of memory in use. ENERGY: 213700 644.8488 1932.7094 1970.6115 96.5698 -14.8633 -1077.6643 148.7875 0.0000 2747.4778 6448.4771 303.4666 3700.9993 6483.7511 298.2776 PRESSURE: 213800 0 0 0 0 0 0 0 0 0 GPRESSURE: 213800 0 0 0 0 0 0 0 0 0 PRESSAVG: 213800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213800 0 0 0 0 0 0 0 0 0 TIMING: 213800 CPU: 851.974, 0.00397804/step Wall: 851.974, 0.00397804/step, 0.316254 hours remaining, 109.511719 MB of memory in use. ENERGY: 213800 680.0050 1914.6951 2007.7715 99.3818 -14.6021 -1069.2599 153.2132 0.0000 2658.1168 6429.3214 293.5964 3771.2046 6465.2626 298.8191 PRESSURE: 213900 0 0 0 0 0 0 0 0 0 GPRESSURE: 213900 0 0 0 0 0 0 0 0 0 PRESSAVG: 213900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 213900 0 0 0 0 0 0 0 0 0 TIMING: 213900 CPU: 852.372, 0.00397461/step Wall: 852.372, 0.0039746/step, 0.31587 hours remaining, 109.511719 MB of memory in use. ENERGY: 213900 678.8606 1907.4366 2007.0032 114.6935 -15.4374 -1041.2253 145.4330 0.0000 2628.5630 6425.3273 290.3321 3796.7643 6454.0026 296.2120 PRESSURE: 214000 0 0 0 0 0 0 0 0 0 GPRESSURE: 214000 0 0 0 0 0 0 0 0 0 PRESSAVG: 214000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214000 0 0 0 0 0 0 0 0 0 TIMING: 214000 CPU: 852.771, 0.00398624/step Wall: 852.771, 0.00398625/step, 0.316685 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 214000 659.3586 1889.0389 2035.5481 100.4402 -14.4351 -1053.8007 160.7633 0.0000 2638.6343 6415.5475 291.4445 3776.9132 6446.1440 296.2835 PRESSURE: 214100 0 0 0 0 0 0 0 0 0 GPRESSURE: 214100 0 0 0 0 0 0 0 0 0 PRESSAVG: 214100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214100 0 0 0 0 0 0 0 0 0 TIMING: 214100 CPU: 853.168, 0.00397509/step Wall: 853.168, 0.00397509/step, 0.315688 hours remaining, 109.511719 MB of memory in use. ENERGY: 214100 660.9523 1878.2076 1974.1762 108.0619 -14.4151 -1026.0524 165.4501 0.0000 2686.9662 6433.3467 296.7829 3746.3805 6466.7977 295.7832 PRESSURE: 214200 0 0 0 0 0 0 0 0 0 GPRESSURE: 214200 0 0 0 0 0 0 0 0 0 PRESSAVG: 214200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214200 0 0 0 0 0 0 0 0 0 TIMING: 214200 CPU: 853.567, 0.00398577/step Wall: 853.567, 0.00398577/step, 0.316426 hours remaining, 109.511719 MB of memory in use. ENERGY: 214200 645.1641 1947.1107 1979.6080 101.0193 -14.7404 -1036.2211 160.1569 0.0000 2657.5160 6439.6136 293.5300 3782.0976 6473.8667 296.8725 PRESSURE: 214300 0 0 0 0 0 0 0 0 0 GPRESSURE: 214300 0 0 0 0 0 0 0 0 0 PRESSAVG: 214300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214300 0 0 0 0 0 0 0 0 0 TIMING: 214300 CPU: 853.964, 0.00397545/step Wall: 853.964, 0.00397545/step, 0.315496 hours remaining, 109.511719 MB of memory in use. ENERGY: 214300 622.3033 1885.3502 2014.7528 106.0332 -14.0995 -1035.6541 159.0143 0.0000 2688.1197 6425.8200 296.9103 3737.7003 6458.1327 296.1071 PRESSURE: 214400 0 0 0 0 0 0 0 0 0 GPRESSURE: 214400 0 0 0 0 0 0 0 0 0 PRESSAVG: 214400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214400 0 0 0 0 0 0 0 0 0 TIMING: 214400 CPU: 854.362, 0.00397512/step Wall: 854.362, 0.00397512/step, 0.315359 hours remaining, 109.511719 MB of memory in use. ENERGY: 214400 659.4504 1834.6385 2010.5283 102.3719 -14.0537 -1032.2647 169.2693 0.0000 2704.9147 6434.8547 298.7654 3729.9400 6467.3937 296.9776 PRESSURE: 214500 0 0 0 0 0 0 0 0 0 GPRESSURE: 214500 0 0 0 0 0 0 0 0 0 PRESSAVG: 214500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214500 0 0 0 0 0 0 0 0 0 TIMING: 214500 CPU: 854.76, 0.00398239/step Wall: 854.76, 0.00398239/step, 0.315826 hours remaining, 109.511719 MB of memory in use. ENERGY: 214500 676.0004 1912.3997 2030.0239 114.5440 -13.4039 -1107.4644 169.7154 0.0000 2697.5602 6479.3752 297.9530 3781.8150 6511.7793 298.2314 PRESSURE: 214600 0 0 0 0 0 0 0 0 0 GPRESSURE: 214600 0 0 0 0 0 0 0 0 0 PRESSAVG: 214600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214600 0 0 0 0 0 0 0 0 0 TIMING: 214600 CPU: 855.157, 0.00397292/step Wall: 855.157, 0.00397292/step, 0.314964 hours remaining, 109.511719 MB of memory in use. ENERGY: 214600 678.0736 1858.2034 2019.0285 95.5310 -14.7771 -1032.6139 171.1714 0.0000 2754.5091 6529.1259 304.2432 3774.6168 6564.7953 301.1594 PRESSURE: 214700 0 0 0 0 0 0 0 0 0 GPRESSURE: 214700 0 0 0 0 0 0 0 0 0 PRESSAVG: 214700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214700 0 0 0 0 0 0 0 0 0 TIMING: 214700 CPU: 855.556, 0.00398332/step Wall: 855.556, 0.00398332/step, 0.315678 hours remaining, 109.511719 MB of memory in use. ENERGY: 214700 637.1092 1858.2676 2007.2420 100.6812 -14.3651 -1048.3134 170.7578 0.0000 2787.2470 6498.6261 307.8592 3711.3792 6532.5631 301.4738 PRESSURE: 214800 0 0 0 0 0 0 0 0 0 GPRESSURE: 214800 0 0 0 0 0 0 0 0 0 PRESSAVG: 214800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214800 0 0 0 0 0 0 0 0 0 TIMING: 214800 CPU: 855.953, 0.00397604/step Wall: 855.953, 0.00397604/step, 0.314991 hours remaining, 109.511719 MB of memory in use. ENERGY: 214800 637.9659 1912.7983 2017.0025 100.7946 -13.0645 -1044.4537 179.1355 0.0000 2686.7830 6476.9617 296.7627 3790.1786 6509.5161 299.3269 PRESSURE: 214900 0 0 0 0 0 0 0 0 0 GPRESSURE: 214900 0 0 0 0 0 0 0 0 0 PRESSAVG: 214900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 214900 0 0 0 0 0 0 0 0 0 TIMING: 214900 CPU: 856.351, 0.00397598/step Wall: 856.351, 0.00397598/step, 0.314876 hours remaining, 109.511719 MB of memory in use. ENERGY: 214900 678.0728 1869.6850 2025.9057 107.6091 -14.6874 -1029.7122 163.4071 0.0000 2675.4853 6475.7654 295.5148 3800.2801 6508.1648 298.3817 PRESSURE: 215000 0 0 0 0 0 0 0 0 0 GPRESSURE: 215000 0 0 0 0 0 0 0 0 0 PRESSAVG: 215000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215000 0 0 0 0 0 0 0 0 0 TIMING: 215000 CPU: 856.749, 0.00398089/step Wall: 856.749, 0.00398089/step, 0.315154 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 215000 672.8054 1898.5762 2011.2978 96.2113 -13.5244 -1038.3470 177.5732 0.0000 2724.9077 6529.5000 300.9736 3804.5923 6561.4841 300.2236 PRESSURE: 215100 0 0 0 0 0 0 0 0 0 GPRESSURE: 215100 0 0 0 0 0 0 0 0 0 PRESSAVG: 215100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215100 0 0 0 0 0 0 0 0 0 TIMING: 215100 CPU: 857.146, 0.00397352/step Wall: 857.146, 0.00397352/step, 0.31446 hours remaining, 109.511719 MB of memory in use. ENERGY: 215100 690.6296 1952.5259 2009.1976 105.0512 -14.7003 -1028.4559 159.3445 0.0000 2646.8025 6520.3952 292.3467 3873.5927 6552.9898 302.2080 PRESSURE: 215200 0 0 0 0 0 0 0 0 0 GPRESSURE: 215200 0 0 0 0 0 0 0 0 0 PRESSAVG: 215200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215200 0 0 0 0 0 0 0 0 0 TIMING: 215200 CPU: 857.544, 0.00398265/step Wall: 857.544, 0.00398265/step, 0.315072 hours remaining, 109.511719 MB of memory in use. ENERGY: 215200 651.5642 1900.2380 2012.5196 89.8775 -13.7771 -1038.9994 145.3250 0.0000 2755.9275 6502.6753 304.3999 3746.7478 6535.8112 301.2974 PRESSURE: 215300 0 0 0 0 0 0 0 0 0 GPRESSURE: 215300 0 0 0 0 0 0 0 0 0 PRESSAVG: 215300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215300 0 0 0 0 0 0 0 0 0 TIMING: 215300 CPU: 857.942, 0.00397431/step Wall: 857.942, 0.00397431/step, 0.314302 hours remaining, 109.511719 MB of memory in use. ENERGY: 215300 645.8362 1875.2761 2033.5099 107.2556 -13.9511 -1043.7517 169.7839 0.0000 2714.4326 6488.3915 299.8166 3773.9589 6519.9168 300.4990 PRESSURE: 215400 0 0 0 0 0 0 0 0 0 GPRESSURE: 215400 0 0 0 0 0 0 0 0 0 PRESSAVG: 215400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215400 0 0 0 0 0 0 0 0 0 TIMING: 215400 CPU: 858.339, 0.00397444/step Wall: 858.339, 0.00397444/step, 0.314202 hours remaining, 109.511719 MB of memory in use. ENERGY: 215400 673.0149 1847.3346 2032.2112 104.0956 -12.6764 -997.3710 163.0080 0.0000 2633.1425 6442.7594 290.8379 3809.6169 6473.6980 297.5376 PRESSURE: 215500 0 0 0 0 0 0 0 0 0 GPRESSURE: 215500 0 0 0 0 0 0 0 0 0 PRESSAVG: 215500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215500 0 0 0 0 0 0 0 0 0 TIMING: 215500 CPU: 858.738, 0.00398552/step Wall: 858.738, 0.00398552/step, 0.314967 hours remaining, 109.511719 MB of memory in use. ENERGY: 215500 644.9322 1876.3028 2008.2319 104.9988 -13.6583 -1008.3543 152.3151 0.0000 2722.6496 6487.4179 300.7242 3764.7683 6523.3582 298.7753 PRESSURE: 215600 0 0 0 0 0 0 0 0 0 GPRESSURE: 215600 0 0 0 0 0 0 0 0 0 PRESSAVG: 215600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215600 0 0 0 0 0 0 0 0 0 TIMING: 215600 CPU: 859.136, 0.00397796/step Wall: 859.136, 0.00397796/step, 0.314259 hours remaining, 109.511719 MB of memory in use. ENERGY: 215600 653.4321 1905.4565 2014.9881 110.8067 -13.5610 -1013.3229 160.2209 0.0000 2693.7583 6511.7787 297.5331 3818.0204 6543.5755 300.4069 PRESSURE: 215700 0 0 0 0 0 0 0 0 0 GPRESSURE: 215700 0 0 0 0 0 0 0 0 0 PRESSAVG: 215700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215700 0 0 0 0 0 0 0 0 0 TIMING: 215700 CPU: 859.534, 0.00398494/step Wall: 859.534, 0.00398494/step, 0.3147 hours remaining, 109.511719 MB of memory in use. ENERGY: 215700 676.7229 1920.8037 2033.4769 101.0389 -14.3682 -1026.2300 167.6472 0.0000 2638.5207 6497.6121 291.4320 3859.0914 6527.9669 299.8212 PRESSURE: 215800 0 0 0 0 0 0 0 0 0 GPRESSURE: 215800 0 0 0 0 0 0 0 0 0 PRESSAVG: 215800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215800 0 0 0 0 0 0 0 0 0 TIMING: 215800 CPU: 859.932, 0.00397393/step Wall: 859.932, 0.00397393/step, 0.31372 hours remaining, 109.511719 MB of memory in use. ENERGY: 215800 649.5076 1848.8130 2058.8416 97.2952 -14.8292 -1004.1393 140.7202 0.0000 2764.9892 6541.1983 305.4008 3776.2091 6574.2932 300.2591 PRESSURE: 215900 0 0 0 0 0 0 0 0 0 GPRESSURE: 215900 0 0 0 0 0 0 0 0 0 PRESSAVG: 215900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 215900 0 0 0 0 0 0 0 0 0 TIMING: 215900 CPU: 860.329, 0.0039751/step Wall: 860.329, 0.0039751/step, 0.313701 hours remaining, 109.511719 MB of memory in use. ENERGY: 215900 640.2489 1903.5453 2030.2667 103.7409 -14.6503 -1014.9085 168.8687 0.0000 2732.6723 6549.7841 301.8313 3817.1117 6582.9840 303.1027 PRESSURE: 216000 0 0 0 0 0 0 0 0 0 GPRESSURE: 216000 0 0 0 0 0 0 0 0 0 PRESSAVG: 216000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216000 0 0 0 0 0 0 0 0 0 TIMING: 216000 CPU: 860.728, 0.00398493/step Wall: 860.728, 0.00398492/step, 0.314366 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 216000 657.0634 1856.1951 2022.2559 100.0633 -14.4234 -1025.0604 154.7087 0.0000 2783.2711 6534.0738 307.4200 3750.8027 6568.1270 302.5341 PRESSURE: 216100 0 0 0 0 0 0 0 0 0 GPRESSURE: 216100 0 0 0 0 0 0 0 0 0 PRESSAVG: 216100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216100 0 0 0 0 0 0 0 0 0 TIMING: 216100 CPU: 861.125, 0.00397552/step Wall: 861.125, 0.00397553/step, 0.313515 hours remaining, 109.511719 MB of memory in use. ENERGY: 216100 660.4661 1854.8325 2020.5084 115.0383 -13.3833 -1041.9481 179.7248 0.0000 2770.3121 6545.5508 305.9887 3775.2387 6579.7348 303.4701 PRESSURE: 216200 0 0 0 0 0 0 0 0 0 GPRESSURE: 216200 0 0 0 0 0 0 0 0 0 PRESSAVG: 216200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216200 0 0 0 0 0 0 0 0 0 TIMING: 216200 CPU: 861.524, 0.00398554/step Wall: 861.524, 0.00398554/step, 0.314193 hours remaining, 109.511719 MB of memory in use. ENERGY: 216200 657.6420 1864.4298 2025.2895 98.2892 -13.7126 -1025.5485 172.7129 0.0000 2738.0112 6517.1135 302.4210 3779.1023 6551.0379 302.0437 LDB: ============= START OF LOAD BALANCING ============== 864.299 LDB: ============== END OF LOAD BALANCING =============== 864.299 LDB: =============== DONE WITH MIGRATION ================ 864.299 PRESSURE: 216300 0 0 0 0 0 0 0 0 0 GPRESSURE: 216300 0 0 0 0 0 0 0 0 0 PRESSAVG: 216300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216300 0 0 0 0 0 0 0 0 0 TIMING: 216300 CPU: 861.921, 0.00397773/step Wall: 861.921, 0.00397773/step, 0.313467 hours remaining, 109.511719 MB of memory in use. ENERGY: 216300 657.1459 1824.8779 2040.2116 105.6591 -13.6373 -1033.3685 167.7404 0.0000 2707.8613 6456.4906 299.0908 3748.6292 6489.8934 299.1951 LDB: ============= START OF LOAD BALANCING ============== 864.697 LDB: ============== END OF LOAD BALANCING =============== 864.697 LDB: =============== DONE WITH MIGRATION ================ 864.697 PRESSURE: 216400 0 0 0 0 0 0 0 0 0 GPRESSURE: 216400 0 0 0 0 0 0 0 0 0 PRESSAVG: 216400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216400 0 0 0 0 0 0 0 0 0 TIMING: 216400 CPU: 862.32, 0.0039837/step Wall: 862.32, 0.0039837/step, 0.313827 hours remaining, 109.511719 MB of memory in use. ENERGY: 216400 668.4148 1862.6956 2022.7517 103.6000 -13.6211 -1055.0285 158.8504 0.0000 2678.3881 6426.0509 295.8354 3747.6629 6456.8358 296.7516 PRESSURE: 216500 0 0 0 0 0 0 0 0 0 GPRESSURE: 216500 0 0 0 0 0 0 0 0 0 PRESSAVG: 216500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216500 0 0 0 0 0 0 0 0 0 TIMING: 216500 CPU: 862.718, 0.00398502/step Wall: 862.718, 0.00398502/step, 0.31382 hours remaining, 109.511719 MB of memory in use. ENERGY: 216500 654.9849 1860.9199 2015.2933 110.7059 -14.6891 -1051.1758 150.0764 0.0000 2714.5269 6440.6424 299.8271 3726.1155 6476.3018 297.2006 PRESSURE: 216600 0 0 0 0 0 0 0 0 0 GPRESSURE: 216600 0 0 0 0 0 0 0 0 0 PRESSAVG: 216600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216600 0 0 0 0 0 0 0 0 0 TIMING: 216600 CPU: 863.116, 0.00397484/step Wall: 863.116, 0.00397484/step, 0.312908 hours remaining, 109.511719 MB of memory in use. ENERGY: 216600 667.9614 1936.4574 2012.6599 97.4236 -14.6765 -1078.5773 154.9601 0.0000 2735.4150 6511.6234 302.1342 3776.2085 6543.0191 298.7852 PRESSURE: 216700 0 0 0 0 0 0 0 0 0 GPRESSURE: 216700 0 0 0 0 0 0 0 0 0 PRESSAVG: 216700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216700 0 0 0 0 0 0 0 0 0 TIMING: 216700 CPU: 863.515, 0.00398872/step Wall: 863.515, 0.00398872/step, 0.31389 hours remaining, 109.511719 MB of memory in use. ENERGY: 216700 666.6569 1912.1419 1995.6698 99.7733 -14.6156 -1065.4408 176.7586 0.0000 2697.5340 6468.4780 297.9501 3770.9440 6500.3656 299.3655 PRESSURE: 216800 0 0 0 0 0 0 0 0 0 GPRESSURE: 216800 0 0 0 0 0 0 0 0 0 PRESSAVG: 216800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216800 0 0 0 0 0 0 0 0 0 TIMING: 216800 CPU: 863.912, 0.00397628/step Wall: 863.912, 0.00397628/step, 0.312801 hours remaining, 109.511719 MB of memory in use. ENERGY: 216800 639.8409 1872.5600 2008.0994 90.4567 -14.9400 -1037.2410 158.6586 0.0000 2694.9870 6412.4217 297.6688 3717.4347 6445.2062 297.1833 PRESSURE: 216900 0 0 0 0 0 0 0 0 0 GPRESSURE: 216900 0 0 0 0 0 0 0 0 0 PRESSAVG: 216900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 216900 0 0 0 0 0 0 0 0 0 TIMING: 216900 CPU: 864.31, 0.00397484/step Wall: 864.31, 0.00397484/step, 0.312577 hours remaining, 109.511719 MB of memory in use. ENERGY: 216900 649.3919 1887.2734 2012.3125 95.7509 -13.5796 -1073.2394 155.9830 0.0000 2730.3002 6444.1930 301.5693 3713.8928 6477.8328 297.6936 PRESSURE: 217000 0 0 0 0 0 0 0 0 0 GPRESSURE: 217000 0 0 0 0 0 0 0 0 0 PRESSAVG: 217000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217000 0 0 0 0 0 0 0 0 0 TIMING: 217000 CPU: 864.708, 0.00398318/step Wall: 864.708, 0.00398317/step, 0.313121 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 217000 631.6669 1898.5348 1998.0280 107.8930 -14.3451 -1034.6178 163.4739 0.0000 2683.9777 6434.6114 296.4528 3750.6337 6465.6368 298.5318 PRESSURE: 217100 0 0 0 0 0 0 0 0 0 GPRESSURE: 217100 0 0 0 0 0 0 0 0 0 PRESSAVG: 217100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217100 0 0 0 0 0 0 0 0 0 TIMING: 217100 CPU: 865.106, 0.00397558/step Wall: 865.106, 0.00397559/step, 0.312415 hours remaining, 109.511719 MB of memory in use. ENERGY: 217100 671.8451 1851.0628 2009.7909 112.0550 -13.6920 -1054.1480 164.2900 0.0000 2725.8125 6467.0162 301.0736 3741.2038 6500.6022 297.7061 PRESSURE: 217200 0 0 0 0 0 0 0 0 0 GPRESSURE: 217200 0 0 0 0 0 0 0 0 0 PRESSAVG: 217200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217200 0 0 0 0 0 0 0 0 0 TIMING: 217200 CPU: 865.504, 0.00398669/step Wall: 865.504, 0.00398669/step, 0.313177 hours remaining, 109.511719 MB of memory in use. ENERGY: 217200 665.8444 1901.7094 1977.0934 110.5949 -13.4843 -1060.0891 159.3691 0.0000 2702.1746 6443.2125 298.4627 3741.0379 6477.7910 297.8676 PRESSURE: 217300 0 0 0 0 0 0 0 0 0 GPRESSURE: 217300 0 0 0 0 0 0 0 0 0 PRESSAVG: 217300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217300 0 0 0 0 0 0 0 0 0 TIMING: 217300 CPU: 865.902, 0.00397348/step Wall: 865.902, 0.00397348/step, 0.312028 hours remaining, 109.511719 MB of memory in use. ENERGY: 217300 627.7293 1906.4138 2008.6261 102.7032 -14.7132 -1062.6940 163.9265 0.0000 2712.6334 6444.6251 299.6179 3731.9918 6478.0493 298.7282 PRESSURE: 217400 0 0 0 0 0 0 0 0 0 GPRESSURE: 217400 0 0 0 0 0 0 0 0 0 PRESSAVG: 217400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217400 0 0 0 0 0 0 0 0 0 TIMING: 217400 CPU: 866.299, 0.00397507/step Wall: 866.299, 0.00397507/step, 0.312043 hours remaining, 109.511719 MB of memory in use. ENERGY: 217400 624.8777 1942.5277 1995.3989 106.1683 -13.9241 -1057.4506 157.2928 0.0000 2679.9810 6434.8717 296.0114 3754.8907 6468.1046 298.2833 PRESSURE: 217500 0 0 0 0 0 0 0 0 0 GPRESSURE: 217500 0 0 0 0 0 0 0 0 0 PRESSAVG: 217500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217500 0 0 0 0 0 0 0 0 0 TIMING: 217500 CPU: 866.698, 0.0039859/step Wall: 866.698, 0.0039859/step, 0.312782 hours remaining, 109.511719 MB of memory in use. ENERGY: 217500 692.5925 1860.7454 2007.7812 95.6695 -14.5894 -1061.9325 155.8497 0.0000 2721.1523 6457.2687 300.5589 3736.1164 6491.8916 298.1272 PRESSURE: 217600 0 0 0 0 0 0 0 0 0 GPRESSURE: 217600 0 0 0 0 0 0 0 0 0 PRESSAVG: 217600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217600 0 0 0 0 0 0 0 0 0 TIMING: 217600 CPU: 867.095, 0.00397364/step Wall: 867.095, 0.00397364/step, 0.31171 hours remaining, 109.511719 MB of memory in use. ENERGY: 217600 642.7258 1896.5381 1999.1619 106.6184 -15.3733 -1038.4881 154.8219 0.0000 2705.0657 6451.0703 298.7820 3746.0046 6483.1285 299.2925 PRESSURE: 217700 0 0 0 0 0 0 0 0 0 GPRESSURE: 217700 0 0 0 0 0 0 0 0 0 PRESSAVG: 217700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217700 0 0 0 0 0 0 0 0 0 TIMING: 217700 CPU: 867.494, 0.00398393/step Wall: 867.494, 0.00398393/step, 0.312406 hours remaining, 109.511719 MB of memory in use. ENERGY: 217700 631.5248 1832.1473 2023.8595 103.1489 -13.0685 -1057.1365 167.1523 0.0000 2757.8230 6445.4508 304.6092 3687.6278 6483.5415 298.2939 PRESSURE: 217800 0 0 0 0 0 0 0 0 0 GPRESSURE: 217800 0 0 0 0 0 0 0 0 0 PRESSAVG: 217800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217800 0 0 0 0 0 0 0 0 0 TIMING: 217800 CPU: 867.891, 0.00397431/step Wall: 867.891, 0.00397431/step, 0.311542 hours remaining, 109.511719 MB of memory in use. ENERGY: 217800 643.2228 1838.3270 2031.3152 118.8339 -13.9533 -1064.5433 178.7667 0.0000 2678.3568 6410.3258 295.8320 3731.9690 6445.2898 294.6453 PRESSURE: 217900 0 0 0 0 0 0 0 0 0 GPRESSURE: 217900 0 0 0 0 0 0 0 0 0 PRESSAVG: 217900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 217900 0 0 0 0 0 0 0 0 0 TIMING: 217900 CPU: 868.289, 0.00397611/step Wall: 868.289, 0.00397611/step, 0.311572 hours remaining, 109.511719 MB of memory in use. ENERGY: 217900 662.4002 1870.2977 2024.9584 104.9589 -13.9241 -1039.6096 152.3119 0.0000 2677.6961 6439.0896 295.7590 3761.3934 6470.5243 297.8375 PRESSURE: 218000 0 0 0 0 0 0 0 0 0 GPRESSURE: 218000 0 0 0 0 0 0 0 0 0 PRESSAVG: 218000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218000 0 0 0 0 0 0 0 0 0 TIMING: 218000 CPU: 868.687, 0.00398387/step Wall: 868.687, 0.00398387/step, 0.31207 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 218000 653.8507 1891.2872 2010.3935 106.4019 -13.6278 -1042.7372 162.3228 0.0000 2697.8150 6465.7062 297.9812 3767.8912 6497.4554 298.4987 PRESSURE: 218100 0 0 0 0 0 0 0 0 0 GPRESSURE: 218100 0 0 0 0 0 0 0 0 0 PRESSAVG: 218100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218100 0 0 0 0 0 0 0 0 0 TIMING: 218100 CPU: 869.084, 0.00397329/step Wall: 869.084, 0.00397328/step, 0.31113 hours remaining, 109.511719 MB of memory in use. ENERGY: 218100 645.1908 1864.4944 2005.4945 104.0556 -13.9395 -1034.8287 156.0227 0.0000 2723.7840 6450.2738 300.8495 3726.4898 6483.8906 296.7320 PRESSURE: 218200 0 0 0 0 0 0 0 0 0 GPRESSURE: 218200 0 0 0 0 0 0 0 0 0 PRESSAVG: 218200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218200 0 0 0 0 0 0 0 0 0 TIMING: 218200 CPU: 869.482, 0.00397853/step Wall: 869.482, 0.00397854/step, 0.311431 hours remaining, 109.511719 MB of memory in use. ENERGY: 218200 631.1207 1885.1962 2038.4787 97.2064 -13.6550 -1042.8953 172.7252 0.0000 2643.9471 6412.1240 292.0313 3768.1768 6442.3847 298.2150 PRESSURE: 218300 0 0 0 0 0 0 0 0 0 GPRESSURE: 218300 0 0 0 0 0 0 0 0 0 PRESSAVG: 218300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218300 0 0 0 0 0 0 0 0 0 TIMING: 218300 CPU: 869.881, 0.00398571/step Wall: 869.881, 0.00398571/step, 0.311882 hours remaining, 109.511719 MB of memory in use. ENERGY: 218300 616.3592 1860.3835 2002.8160 113.4226 -13.6865 -999.1974 168.0568 0.0000 2682.9500 6431.1042 296.3393 3748.1542 6463.4465 295.7762 PRESSURE: 218400 0 0 0 0 0 0 0 0 0 GPRESSURE: 218400 0 0 0 0 0 0 0 0 0 PRESSAVG: 218400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218400 0 0 0 0 0 0 0 0 0 TIMING: 218400 CPU: 870.278, 0.00397627/step Wall: 870.278, 0.00397627/step, 0.311033 hours remaining, 109.511719 MB of memory in use. ENERGY: 218400 652.8889 1805.7088 2013.7250 99.7159 -13.5996 -1006.0082 178.3484 0.0000 2751.4022 6482.1813 303.9000 3730.7792 6516.6809 298.8134 PRESSURE: 218500 0 0 0 0 0 0 0 0 0 GPRESSURE: 218500 0 0 0 0 0 0 0 0 0 PRESSAVG: 218500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218500 0 0 0 0 0 0 0 0 0 TIMING: 218500 CPU: 870.678, 0.00399625/step Wall: 870.678, 0.00399625/step, 0.312485 hours remaining, 109.511719 MB of memory in use. ENERGY: 218500 672.3748 1850.0924 2010.1212 91.6525 -14.8301 -1019.8019 156.9845 0.0000 2729.6636 6476.2569 301.4989 3746.5933 6510.4801 300.7048 PRESSURE: 218600 0 0 0 0 0 0 0 0 0 GPRESSURE: 218600 0 0 0 0 0 0 0 0 0 PRESSAVG: 218600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218600 0 0 0 0 0 0 0 0 0 TIMING: 218600 CPU: 871.076, 0.00397645/step Wall: 871.076, 0.00397645/step, 0.310826 hours remaining, 109.511719 MB of memory in use. ENERGY: 218600 675.8863 1881.3587 2005.4561 111.0189 -14.6141 -1047.4956 166.6910 0.0000 2708.9038 6487.2052 299.2060 3778.3013 6519.7568 299.2682 PRESSURE: 218700 0 0 0 0 0 0 0 0 0 GPRESSURE: 218700 0 0 0 0 0 0 0 0 0 PRESSAVG: 218700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218700 0 0 0 0 0 0 0 0 0 TIMING: 218700 CPU: 871.473, 0.00397507/step Wall: 871.473, 0.00397507/step, 0.310608 hours remaining, 109.511719 MB of memory in use. ENERGY: 218700 684.8047 1897.1311 2011.5583 113.2837 -16.2471 -1037.1786 156.2752 0.0000 2666.1661 6475.7935 294.4855 3809.6274 6505.9226 298.2671 PRESSURE: 218800 0 0 0 0 0 0 0 0 0 GPRESSURE: 218800 0 0 0 0 0 0 0 0 0 PRESSAVG: 218800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218800 0 0 0 0 0 0 0 0 0 TIMING: 218800 CPU: 871.871, 0.00398127/step Wall: 871.871, 0.00398127/step, 0.310981 hours remaining, 109.511719 MB of memory in use. ENERGY: 218800 677.2238 1843.5747 2024.2601 100.7153 -14.0610 -1044.2181 165.6794 0.0000 2742.6581 6495.8322 302.9342 3753.1742 6529.2199 299.2486 PRESSURE: 218900 0 0 0 0 0 0 0 0 0 GPRESSURE: 218900 0 0 0 0 0 0 0 0 0 PRESSAVG: 218900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 218900 0 0 0 0 0 0 0 0 0 TIMING: 218900 CPU: 872.269, 0.00397523/step Wall: 872.269, 0.00397523/step, 0.310399 hours remaining, 109.511719 MB of memory in use. ENERGY: 218900 681.4448 1892.0174 2018.1153 100.4402 -14.4711 -1036.0343 159.2935 0.0000 2684.8235 6485.6293 296.5462 3800.8058 6519.9392 301.0498 PRESSURE: 219000 0 0 0 0 0 0 0 0 0 GPRESSURE: 219000 0 0 0 0 0 0 0 0 0 PRESSAVG: 219000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219000 0 0 0 0 0 0 0 0 0 TIMING: 219000 CPU: 872.667, 0.00398137/step Wall: 872.667, 0.00398137/step, 0.310768 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 219000 680.0306 1920.2120 2004.5286 102.7482 -14.2565 -1060.4242 158.5183 0.0000 2708.8685 6500.2254 299.2021 3791.3569 6533.6662 300.7402 PRESSURE: 219100 0 0 0 0 0 0 0 0 0 GPRESSURE: 219100 0 0 0 0 0 0 0 0 0 PRESSAVG: 219100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219100 0 0 0 0 0 0 0 0 0 TIMING: 219100 CPU: 873.065, 0.00397733/step Wall: 873.065, 0.00397733/step, 0.310342 hours remaining, 109.511719 MB of memory in use. ENERGY: 219100 693.3846 1888.5703 2009.0032 113.1007 -13.6281 -1065.2090 167.2835 0.0000 2741.2918 6533.7971 302.7833 3792.5052 6566.4362 301.4138 PRESSURE: 219200 0 0 0 0 0 0 0 0 0 GPRESSURE: 219200 0 0 0 0 0 0 0 0 0 PRESSAVG: 219200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219200 0 0 0 0 0 0 0 0 0 TIMING: 219200 CPU: 873.462, 0.00397857/step Wall: 873.462, 0.00397857/step, 0.310328 hours remaining, 109.511719 MB of memory in use. ENERGY: 219200 669.3547 1878.8032 2036.5750 115.6901 -13.4335 -1018.7004 162.8241 0.0000 2697.5067 6528.6200 297.9471 3831.1132 6563.0671 303.6911 PRESSURE: 219300 0 0 0 0 0 0 0 0 0 GPRESSURE: 219300 0 0 0 0 0 0 0 0 0 PRESSAVG: 219300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219300 0 0 0 0 0 0 0 0 0 TIMING: 219300 CPU: 873.861, 0.00398353/step Wall: 873.861, 0.00398353/step, 0.310605 hours remaining, 109.511719 MB of memory in use. ENERGY: 219300 624.6056 1932.0646 2036.9976 101.9897 -15.1045 -1056.8015 162.0658 0.0000 2723.9479 6509.7653 300.8676 3785.8174 6544.1163 300.8560 PRESSURE: 219400 0 0 0 0 0 0 0 0 0 GPRESSURE: 219400 0 0 0 0 0 0 0 0 0 PRESSAVG: 219400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219400 0 0 0 0 0 0 0 0 0 TIMING: 219400 CPU: 874.258, 0.00397477/step Wall: 874.258, 0.00397477/step, 0.309811 hours remaining, 109.511719 MB of memory in use. ENERGY: 219400 679.6091 1863.8043 1998.4116 107.4437 -14.0887 -1031.5934 165.2948 0.0000 2736.5580 6505.4393 302.2605 3768.8813 6537.1761 302.3792 PRESSURE: 219500 0 0 0 0 0 0 0 0 0 GPRESSURE: 219500 0 0 0 0 0 0 0 0 0 PRESSAVG: 219500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219500 0 0 0 0 0 0 0 0 0 TIMING: 219500 CPU: 874.657, 0.00398823/step Wall: 874.657, 0.00398823/step, 0.31075 hours remaining, 109.511719 MB of memory in use. ENERGY: 219500 669.5646 1900.3672 1995.3336 103.1026 -13.8662 -1056.2939 144.7020 0.0000 2733.5945 6476.5044 301.9331 3742.9099 6509.3818 301.5856 PRESSURE: 219600 0 0 0 0 0 0 0 0 0 GPRESSURE: 219600 0 0 0 0 0 0 0 0 0 PRESSAVG: 219600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219600 0 0 0 0 0 0 0 0 0 TIMING: 219600 CPU: 875.055, 0.00397508/step Wall: 875.055, 0.00397508/step, 0.309614 hours remaining, 109.511719 MB of memory in use. ENERGY: 219600 699.5426 1863.4082 1993.2218 109.5702 -14.8936 -1053.4608 170.7146 0.0000 2715.5694 6483.6724 299.9422 3768.1030 6518.1633 301.2754 PRESSURE: 219700 0 0 0 0 0 0 0 0 0 GPRESSURE: 219700 0 0 0 0 0 0 0 0 0 PRESSAVG: 219700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219700 0 0 0 0 0 0 0 0 0 TIMING: 219700 CPU: 875.452, 0.00397505/step Wall: 875.452, 0.00397505/step, 0.309502 hours remaining, 109.511719 MB of memory in use. ENERGY: 219700 647.1557 1918.8096 2016.3815 109.1110 -14.2728 -1029.1888 152.9545 0.0000 2671.0532 6472.0039 295.0253 3800.9507 6502.0271 299.3466 PRESSURE: 219800 0 0 0 0 0 0 0 0 0 GPRESSURE: 219800 0 0 0 0 0 0 0 0 0 PRESSAVG: 219800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219800 0 0 0 0 0 0 0 0 0 TIMING: 219800 CPU: 875.851, 0.00398417/step Wall: 875.851, 0.00398417/step, 0.310101 hours remaining, 109.511719 MB of memory in use. ENERGY: 219800 651.9396 1875.3717 2035.6639 103.2829 -15.1978 -1015.0519 153.1677 0.0000 2722.5023 6511.6785 300.7080 3789.1762 6543.9724 300.2982 PRESSURE: 219900 0 0 0 0 0 0 0 0 0 GPRESSURE: 219900 0 0 0 0 0 0 0 0 0 PRESSAVG: 219900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 219900 0 0 0 0 0 0 0 0 0 TIMING: 219900 CPU: 876.248, 0.00397378/step Wall: 876.248, 0.00397378/step, 0.309182 hours remaining, 109.511719 MB of memory in use. ENERGY: 219900 662.2161 1883.2368 2011.6725 108.9895 -14.3559 -1010.4605 160.0784 0.0000 2716.4116 6517.7886 300.0352 3801.3770 6549.6430 301.7040 PRESSURE: 220000 0 0 0 0 0 0 0 0 0 GPRESSURE: 220000 0 0 0 0 0 0 0 0 0 PRESSAVG: 220000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220000 0 0 0 0 0 0 0 0 0 TIMING: 220000 CPU: 876.647, 0.00398748/step Wall: 876.647, 0.00398748/step, 0.310137 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 220000 681.8953 1920.3086 2008.9166 94.7522 -14.7153 -1047.0439 155.5810 0.0000 2703.8510 6503.5455 298.6479 3799.6945 6536.2003 300.7128 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 220000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 220000 WRITING COORDINATES TO RESTART FILE AT STEP 220000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 220000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 220100 0 0 0 0 0 0 0 0 0 GPRESSURE: 220100 0 0 0 0 0 0 0 0 0 PRESSAVG: 220100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220100 0 0 0 0 0 0 0 0 0 TIMING: 220100 CPU: 877.08, 0.00433132/step Wall: 877.08, 0.00433132/step, 0.33676 hours remaining, 109.511719 MB of memory in use. ENERGY: 220100 630.8239 1908.6210 2003.4856 105.6088 -15.0798 -1039.2134 154.0520 0.0000 2726.8675 6475.1657 301.1901 3748.2982 6509.6377 300.2099 PRESSURE: 220200 0 0 0 0 0 0 0 0 0 GPRESSURE: 220200 0 0 0 0 0 0 0 0 0 PRESSAVG: 220200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220200 0 0 0 0 0 0 0 0 0 TIMING: 220200 CPU: 877.477, 0.00397622/step Wall: 877.477, 0.00397622/step, 0.309041 hours remaining, 109.511719 MB of memory in use. ENERGY: 220200 653.5886 1862.7487 2022.1974 111.2809 -16.7499 -1053.4498 159.5588 0.0000 2716.2163 6455.3909 300.0137 3739.1747 6489.1879 300.2186 LDB: ============= START OF LOAD BALANCING ============== 880.253 LDB: ============== END OF LOAD BALANCING =============== 880.253 LDB: =============== DONE WITH MIGRATION ================ 880.254 PRESSURE: 220300 0 0 0 0 0 0 0 0 0 GPRESSURE: 220300 0 0 0 0 0 0 0 0 0 PRESSAVG: 220300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220300 0 0 0 0 0 0 0 0 0 TIMING: 220300 CPU: 877.876, 0.00398536/step Wall: 877.876, 0.00398536/step, 0.30964 hours remaining, 109.511719 MB of memory in use. ENERGY: 220300 656.9945 1899.3029 2006.0753 111.4345 -15.2310 -1053.9381 161.6798 0.0000 2698.5281 6464.8460 298.0599 3766.3179 6494.7341 298.8372 LDB: ============= START OF LOAD BALANCING ============== 880.652 LDB: ============== END OF LOAD BALANCING =============== 880.652 LDB: =============== DONE WITH MIGRATION ================ 880.652 PRESSURE: 220400 0 0 0 0 0 0 0 0 0 GPRESSURE: 220400 0 0 0 0 0 0 0 0 0 PRESSAVG: 220400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220400 0 0 0 0 0 0 0 0 0 TIMING: 220400 CPU: 878.274, 0.00398307/step Wall: 878.274, 0.00398307/step, 0.309352 hours remaining, 109.511719 MB of memory in use. ENERGY: 220400 638.8349 1839.7046 2019.7154 100.5192 -15.7432 -1008.9278 154.9312 0.0000 2717.7990 6446.8333 300.1885 3729.0343 6480.1094 298.0901 PRESSURE: 220500 0 0 0 0 0 0 0 0 0 GPRESSURE: 220500 0 0 0 0 0 0 0 0 0 PRESSAVG: 220500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220500 0 0 0 0 0 0 0 0 0 TIMING: 220500 CPU: 878.673, 0.00398573/step Wall: 878.673, 0.00398573/step, 0.309448 hours remaining, 109.511719 MB of memory in use. ENERGY: 220500 616.9519 1921.6961 2036.8151 102.1080 -15.2770 -1070.7201 181.8071 0.0000 2678.2454 6451.6264 295.8197 3773.3810 6483.5088 298.5784 PRESSURE: 220600 0 0 0 0 0 0 0 0 0 GPRESSURE: 220600 0 0 0 0 0 0 0 0 0 PRESSAVG: 220600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220600 0 0 0 0 0 0 0 0 0 TIMING: 220600 CPU: 879.07, 0.00397193/step Wall: 879.07, 0.00397193/step, 0.308266 hours remaining, 109.511719 MB of memory in use. ENERGY: 220600 667.2540 1918.2751 1984.0831 104.6324 -14.3583 -1030.7522 155.8532 0.0000 2659.9263 6444.9137 293.7963 3784.9874 6477.4500 298.0627 PRESSURE: 220700 0 0 0 0 0 0 0 0 0 GPRESSURE: 220700 0 0 0 0 0 0 0 0 0 PRESSAVG: 220700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220700 0 0 0 0 0 0 0 0 0 TIMING: 220700 CPU: 879.467, 0.00397433/step Wall: 879.467, 0.00397433/step, 0.308342 hours remaining, 109.511719 MB of memory in use. ENERGY: 220700 682.3295 1896.2228 2021.3686 103.2931 -13.6582 -1050.3409 173.1315 0.0000 2621.8746 6434.2210 289.5933 3812.3465 6461.5702 297.0100 PRESSURE: 220800 0 0 0 0 0 0 0 0 0 GPRESSURE: 220800 0 0 0 0 0 0 0 0 0 PRESSAVG: 220800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220800 0 0 0 0 0 0 0 0 0 TIMING: 220800 CPU: 879.866, 0.00398494/step Wall: 879.866, 0.00398494/step, 0.309054 hours remaining, 109.511719 MB of memory in use. ENERGY: 220800 680.2577 1888.4595 2012.3820 112.1616 -14.5503 -1062.2843 161.1304 0.0000 2698.5575 6476.1141 298.0632 3777.5567 6507.0725 298.4741 PRESSURE: 220900 0 0 0 0 0 0 0 0 0 GPRESSURE: 220900 0 0 0 0 0 0 0 0 0 PRESSAVG: 220900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 220900 0 0 0 0 0 0 0 0 0 TIMING: 220900 CPU: 880.263, 0.00397368/step Wall: 880.263, 0.00397368/step, 0.308071 hours remaining, 109.511719 MB of memory in use. ENERGY: 220900 659.2836 1903.0716 2028.5148 99.5169 -14.7565 -1050.7391 157.4944 0.0000 2729.8082 6512.1940 301.5149 3782.3857 6546.2734 300.8843 PRESSURE: 221000 0 0 0 0 0 0 0 0 0 GPRESSURE: 221000 0 0 0 0 0 0 0 0 0 PRESSAVG: 221000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221000 0 0 0 0 0 0 0 0 0 TIMING: 221000 CPU: 880.662, 0.00398579/step Wall: 880.662, 0.00398579/step, 0.308899 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 221000 659.5205 1910.5685 2017.7970 100.6701 -14.6628 -1031.3982 185.5390 0.0000 2710.3570 6538.3911 299.3665 3828.0341 6570.2670 301.5206 PRESSURE: 221100 0 0 0 0 0 0 0 0 0 GPRESSURE: 221100 0 0 0 0 0 0 0 0 0 PRESSAVG: 221100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221100 0 0 0 0 0 0 0 0 0 TIMING: 221100 CPU: 881.059, 0.00397354/step Wall: 881.059, 0.00397354/step, 0.307839 hours remaining, 109.511719 MB of memory in use. ENERGY: 221100 657.5154 1928.7901 2023.1587 107.7076 -15.1220 -1039.9517 161.7442 0.0000 2707.6984 6531.5407 299.0728 3823.8423 6561.2675 301.7380 PRESSURE: 221200 0 0 0 0 0 0 0 0 0 GPRESSURE: 221200 0 0 0 0 0 0 0 0 0 PRESSAVG: 221200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221200 0 0 0 0 0 0 0 0 0 TIMING: 221200 CPU: 881.457, 0.00397584/step Wall: 881.457, 0.00397584/step, 0.307907 hours remaining, 109.511719 MB of memory in use. ENERGY: 221200 666.6117 1897.1767 2063.3723 93.3405 -14.5357 -1060.6942 162.2394 0.0000 2710.6886 6518.1994 299.4031 3807.5108 6549.9832 302.1169 PRESSURE: 221300 0 0 0 0 0 0 0 0 0 GPRESSURE: 221300 0 0 0 0 0 0 0 0 0 PRESSAVG: 221300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221300 0 0 0 0 0 0 0 0 0 TIMING: 221300 CPU: 881.855, 0.00398644/step Wall: 881.855, 0.00398644/step, 0.308617 hours remaining, 109.511719 MB of memory in use. ENERGY: 221300 641.9233 1937.9268 2023.6202 91.7092 -16.0364 -1071.3441 161.4419 0.0000 2713.3206 6482.5615 299.6938 3769.2409 6515.0748 300.9867 PRESSURE: 221400 0 0 0 0 0 0 0 0 0 GPRESSURE: 221400 0 0 0 0 0 0 0 0 0 PRESSAVG: 221400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221400 0 0 0 0 0 0 0 0 0 TIMING: 221400 CPU: 882.253, 0.00397635/step Wall: 882.253, 0.00397635/step, 0.307725 hours remaining, 109.511719 MB of memory in use. ENERGY: 221400 675.1319 1891.1664 2025.0009 99.3920 -15.2288 -1058.3420 161.0327 0.0000 2727.1445 6505.2975 301.2207 3778.1530 6538.6641 301.7972 PRESSURE: 221500 0 0 0 0 0 0 0 0 0 GPRESSURE: 221500 0 0 0 0 0 0 0 0 0 PRESSAVG: 221500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221500 0 0 0 0 0 0 0 0 0 TIMING: 221500 CPU: 882.652, 0.00398778/step Wall: 882.652, 0.00398778/step, 0.308499 hours remaining, 109.511719 MB of memory in use. ENERGY: 221500 675.5948 1874.5202 2058.0257 117.0302 -15.6726 -1035.8987 156.6446 0.0000 2689.1717 6519.4158 297.0265 3830.2442 6550.6731 301.0574 PRESSURE: 221600 0 0 0 0 0 0 0 0 0 GPRESSURE: 221600 0 0 0 0 0 0 0 0 0 PRESSAVG: 221600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221600 0 0 0 0 0 0 0 0 0 TIMING: 221600 CPU: 883.05, 0.00397722/step Wall: 883.05, 0.00397722/step, 0.307572 hours remaining, 109.511719 MB of memory in use. ENERGY: 221600 659.7260 1889.6827 2018.2605 116.8351 -15.2437 -1023.7695 154.3143 0.0000 2732.7326 6532.5380 301.8379 3799.8054 6566.8471 301.8844 PRESSURE: 221700 0 0 0 0 0 0 0 0 0 GPRESSURE: 221700 0 0 0 0 0 0 0 0 0 PRESSAVG: 221700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221700 0 0 0 0 0 0 0 0 0 TIMING: 221700 CPU: 883.447, 0.00397549/step Wall: 883.447, 0.00397549/step, 0.307327 hours remaining, 109.511719 MB of memory in use. ENERGY: 221700 662.9726 1857.2126 2042.0061 124.8430 -14.7486 -1062.7963 151.9888 0.0000 2718.8791 6480.3573 300.3078 3761.4782 6516.4505 301.2720 PRESSURE: 221800 0 0 0 0 0 0 0 0 0 GPRESSURE: 221800 0 0 0 0 0 0 0 0 0 PRESSAVG: 221800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221800 0 0 0 0 0 0 0 0 0 TIMING: 221800 CPU: 883.846, 0.00398487/step Wall: 883.846, 0.00398487/step, 0.307942 hours remaining, 109.511719 MB of memory in use. ENERGY: 221800 671.7945 1877.3364 2051.5390 103.9881 -14.9157 -1037.5001 161.3364 0.0000 2644.0793 6457.6580 292.0459 3813.5787 6489.6388 298.2682 PRESSURE: 221900 0 0 0 0 0 0 0 0 0 GPRESSURE: 221900 0 0 0 0 0 0 0 0 0 PRESSAVG: 221900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 221900 0 0 0 0 0 0 0 0 0 TIMING: 221900 CPU: 884.243, 0.00397602/step Wall: 884.243, 0.00397602/step, 0.307148 hours remaining, 109.511719 MB of memory in use. ENERGY: 221900 612.5112 1915.3636 2029.3722 114.1621 -15.0290 -1062.9255 153.1826 0.0000 2732.6224 6479.2597 301.8258 3746.6373 6511.6582 299.1970 PRESSURE: 222000 0 0 0 0 0 0 0 0 0 GPRESSURE: 222000 0 0 0 0 0 0 0 0 0 PRESSAVG: 222000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222000 0 0 0 0 0 0 0 0 0 TIMING: 222000 CPU: 884.642, 0.0039852/step Wall: 884.642, 0.0039852/step, 0.307746 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 222000 624.2568 1916.0316 2033.2110 115.3720 -14.9750 -1035.6810 160.4260 0.0000 2722.1788 6520.8201 300.6722 3798.6413 6552.5132 301.5288 PRESSURE: 222100 0 0 0 0 0 0 0 0 0 GPRESSURE: 222100 0 0 0 0 0 0 0 0 0 PRESSAVG: 222100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222100 0 0 0 0 0 0 0 0 0 TIMING: 222100 CPU: 885.039, 0.00397597/step Wall: 885.039, 0.00397597/step, 0.306923 hours remaining, 109.511719 MB of memory in use. ENERGY: 222100 697.7878 1889.1922 2036.6706 117.1160 -13.9697 -1062.7542 170.6678 0.0000 2703.1990 6537.9095 298.5759 3834.7106 6566.4877 302.7079 PRESSURE: 222200 0 0 0 0 0 0 0 0 0 GPRESSURE: 222200 0 0 0 0 0 0 0 0 0 PRESSAVG: 222200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222200 0 0 0 0 0 0 0 0 0 TIMING: 222200 CPU: 885.437, 0.00397438/step Wall: 885.437, 0.00397438/step, 0.30669 hours remaining, 109.511719 MB of memory in use. ENERGY: 222200 671.7709 1900.7464 2034.1701 113.9454 -15.3877 -1040.8572 168.5538 0.0000 2694.6799 6527.6215 297.6349 3832.9416 6559.3759 301.7926 PRESSURE: 222300 0 0 0 0 0 0 0 0 0 GPRESSURE: 222300 0 0 0 0 0 0 0 0 0 PRESSAVG: 222300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222300 0 0 0 0 0 0 0 0 0 TIMING: 222300 CPU: 885.835, 0.0039854/step Wall: 885.835, 0.0039854/step, 0.307429 hours remaining, 109.511719 MB of memory in use. ENERGY: 222300 638.6101 1936.4149 2007.1735 112.8649 -14.1456 -1059.7625 183.3647 0.0000 2673.3339 6477.8539 295.2772 3804.5201 6511.1768 300.5721 PRESSURE: 222400 0 0 0 0 0 0 0 0 0 GPRESSURE: 222400 0 0 0 0 0 0 0 0 0 PRESSAVG: 222400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222400 0 0 0 0 0 0 0 0 0 TIMING: 222400 CPU: 886.233, 0.00397153/step Wall: 886.233, 0.00397153/step, 0.306249 hours remaining, 109.511719 MB of memory in use. ENERGY: 222400 641.2011 1860.7357 2009.3837 106.6136 -15.3735 -1066.3586 167.9788 0.0000 2770.0446 6474.2253 305.9591 3704.1808 6507.9638 300.7291 PRESSURE: 222500 0 0 0 0 0 0 0 0 0 GPRESSURE: 222500 0 0 0 0 0 0 0 0 0 PRESSAVG: 222500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222500 0 0 0 0 0 0 0 0 0 TIMING: 222500 CPU: 886.631, 0.0039865/step Wall: 886.631, 0.0039865/step, 0.307293 hours remaining, 109.511719 MB of memory in use. ENERGY: 222500 640.1265 1877.0941 2040.8808 109.8083 -14.4748 -1061.9422 158.5815 0.0000 2705.3077 6455.3817 298.8088 3750.0740 6486.9080 299.3364 PRESSURE: 222600 0 0 0 0 0 0 0 0 0 GPRESSURE: 222600 0 0 0 0 0 0 0 0 0 PRESSAVG: 222600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222600 0 0 0 0 0 0 0 0 0 TIMING: 222600 CPU: 887.029, 0.00397347/step Wall: 887.029, 0.00397347/step, 0.306178 hours remaining, 109.511719 MB of memory in use. ENERGY: 222600 665.2099 1845.8097 2027.3425 105.7913 -14.3510 -1044.4046 166.5513 0.0000 2733.9918 6485.9410 301.9770 3751.9491 6517.3382 299.3871 PRESSURE: 222700 0 0 0 0 0 0 0 0 0 GPRESSURE: 222700 0 0 0 0 0 0 0 0 0 PRESSAVG: 222700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222700 0 0 0 0 0 0 0 0 0 TIMING: 222700 CPU: 887.426, 0.00397599/step Wall: 887.426, 0.00397599/step, 0.306262 hours remaining, 109.511719 MB of memory in use. ENERGY: 222700 664.1318 1892.1084 2032.2178 100.9244 -15.9351 -1061.4440 160.9067 0.0000 2718.6921 6491.6020 300.2871 3772.9099 6524.0281 300.0683 PRESSURE: 222800 0 0 0 0 0 0 0 0 0 GPRESSURE: 222800 0 0 0 0 0 0 0 0 0 PRESSAVG: 222800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222800 0 0 0 0 0 0 0 0 0 TIMING: 222800 CPU: 887.825, 0.0039867/step Wall: 887.825, 0.0039867/step, 0.306976 hours remaining, 109.511719 MB of memory in use. ENERGY: 222800 597.2305 1856.8604 2030.2327 104.4611 -14.7491 -1037.6118 163.9918 0.0000 2753.0856 6453.5011 304.0860 3700.4155 6490.4812 300.0360 PRESSURE: 222900 0 0 0 0 0 0 0 0 0 GPRESSURE: 222900 0 0 0 0 0 0 0 0 0 PRESSAVG: 222900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 222900 0 0 0 0 0 0 0 0 0 TIMING: 222900 CPU: 888.222, 0.00397615/step Wall: 888.222, 0.00397615/step, 0.306053 hours remaining, 109.511719 MB of memory in use. ENERGY: 222900 655.6035 1826.5583 1997.5499 115.0843 -14.2572 -1041.1200 168.1570 0.0000 2722.0540 6429.6298 300.6584 3707.5758 6465.7330 297.9221 PRESSURE: 223000 0 0 0 0 0 0 0 0 0 GPRESSURE: 223000 0 0 0 0 0 0 0 0 0 PRESSAVG: 223000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223000 0 0 0 0 0 0 0 0 0 TIMING: 223000 CPU: 888.621, 0.00398872/step Wall: 888.621, 0.00398872/step, 0.30691 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 223000 655.8623 1873.9861 2018.5866 98.5970 -14.7827 -1051.0777 171.7345 0.0000 2699.1901 6452.0961 298.1331 3752.9060 6488.7976 296.9745 PRESSURE: 223100 0 0 0 0 0 0 0 0 0 GPRESSURE: 223100 0 0 0 0 0 0 0 0 0 PRESSAVG: 223100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223100 0 0 0 0 0 0 0 0 0 TIMING: 223100 CPU: 889.019, 0.00397325/step Wall: 889.019, 0.00397325/step, 0.305609 hours remaining, 109.511719 MB of memory in use. ENERGY: 223100 647.6366 1879.2041 2000.5517 109.4746 -14.8009 -1050.1707 167.2187 0.0000 2687.3344 6426.4486 296.8236 3739.1142 6459.6641 298.1310 PRESSURE: 223200 0 0 0 0 0 0 0 0 0 GPRESSURE: 223200 0 0 0 0 0 0 0 0 0 PRESSAVG: 223200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223200 0 0 0 0 0 0 0 0 0 TIMING: 223200 CPU: 889.416, 0.00397571/step Wall: 889.416, 0.00397571/step, 0.305688 hours remaining, 109.511719 MB of memory in use. ENERGY: 223200 651.8554 1934.2164 2022.1527 101.7138 -14.7343 -1080.8709 182.6197 0.0000 2680.8076 6477.7605 296.1027 3796.9529 6510.8712 298.4268 PRESSURE: 223300 0 0 0 0 0 0 0 0 0 GPRESSURE: 223300 0 0 0 0 0 0 0 0 0 PRESSAVG: 223300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223300 0 0 0 0 0 0 0 0 0 TIMING: 223300 CPU: 889.815, 0.00398534/step Wall: 889.815, 0.00398534/step, 0.306318 hours remaining, 109.511719 MB of memory in use. ENERGY: 223300 682.1664 1874.5285 2016.7284 106.4664 -15.4409 -1057.0265 162.9764 0.0000 2708.8423 6479.2411 299.1992 3770.3988 6512.2051 299.6849 PRESSURE: 223400 0 0 0 0 0 0 0 0 0 GPRESSURE: 223400 0 0 0 0 0 0 0 0 0 PRESSAVG: 223400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223400 0 0 0 0 0 0 0 0 0 TIMING: 223400 CPU: 890.212, 0.00397437/step Wall: 890.212, 0.00397437/step, 0.305364 hours remaining, 109.511719 MB of memory in use. ENERGY: 223400 654.5426 1872.8721 2021.7063 105.1020 -15.1732 -1048.6677 159.9945 0.0000 2751.1622 6501.5388 303.8735 3750.3766 6535.3043 301.8842 PRESSURE: 223500 0 0 0 0 0 0 0 0 0 GPRESSURE: 223500 0 0 0 0 0 0 0 0 0 PRESSAVG: 223500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223500 0 0 0 0 0 0 0 0 0 TIMING: 223500 CPU: 890.611, 0.00398668/step Wall: 890.611, 0.00398668/step, 0.306199 hours remaining, 109.511719 MB of memory in use. ENERGY: 223500 688.1405 1874.7606 2012.1930 98.7024 -15.9097 -1061.2407 156.3791 0.0000 2755.8532 6508.8784 304.3917 3753.0253 6542.3254 302.0520 PRESSURE: 223600 0 0 0 0 0 0 0 0 0 GPRESSURE: 223600 0 0 0 0 0 0 0 0 0 PRESSAVG: 223600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223600 0 0 0 0 0 0 0 0 0 TIMING: 223600 CPU: 891.008, 0.00397421/step Wall: 891.008, 0.00397421/step, 0.305131 hours remaining, 109.511719 MB of memory in use. ENERGY: 223600 637.2567 1894.9075 2030.4790 92.3135 -13.8273 -1053.7045 169.4778 0.0000 2748.3961 6505.2987 303.5680 3756.9027 6539.7774 301.3396 PRESSURE: 223700 0 0 0 0 0 0 0 0 0 GPRESSURE: 223700 0 0 0 0 0 0 0 0 0 PRESSAVG: 223700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223700 0 0 0 0 0 0 0 0 0 TIMING: 223700 CPU: 891.406, 0.00397637/step Wall: 891.406, 0.00397637/step, 0.305186 hours remaining, 109.511719 MB of memory in use. ENERGY: 223700 638.9499 1865.8387 2002.5638 113.2845 -14.0959 -1045.2855 163.1554 0.0000 2788.1206 6512.5316 307.9557 3724.4110 6545.9588 302.1911 PRESSURE: 223800 0 0 0 0 0 0 0 0 0 GPRESSURE: 223800 0 0 0 0 0 0 0 0 0 PRESSAVG: 223800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223800 0 0 0 0 0 0 0 0 0 TIMING: 223800 CPU: 891.804, 0.00398493/step Wall: 891.804, 0.00398493/step, 0.305733 hours remaining, 109.511719 MB of memory in use. ENERGY: 223800 650.7177 1892.8363 2039.5191 105.4092 -14.3158 -1053.8233 177.0005 0.0000 2705.0264 6502.3700 298.7777 3797.3436 6535.0772 300.6593 PRESSURE: 223900 0 0 0 0 0 0 0 0 0 GPRESSURE: 223900 0 0 0 0 0 0 0 0 0 PRESSAVG: 223900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 223900 0 0 0 0 0 0 0 0 0 TIMING: 223900 CPU: 892.201, 0.00397123/step Wall: 892.201, 0.00397123/step, 0.304571 hours remaining, 109.511719 MB of memory in use. ENERGY: 223900 641.9141 1962.0992 2012.8923 103.6682 -15.2242 -1049.5718 155.4350 0.0000 2754.0162 6565.2289 304.1888 3811.2127 6598.0245 303.6589 PRESSURE: 224000 0 0 0 0 0 0 0 0 0 GPRESSURE: 224000 0 0 0 0 0 0 0 0 0 PRESSAVG: 224000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224000 0 0 0 0 0 0 0 0 0 TIMING: 224000 CPU: 892.6, 0.00398632/step Wall: 892.6, 0.00398632/step, 0.305618 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 224000 630.0431 1910.8919 2010.9951 103.3594 -13.9174 -1024.0076 179.1391 0.0000 2764.1356 6560.6393 305.3065 3796.5037 6593.8716 304.2982 PRESSURE: 224100 0 0 0 0 0 0 0 0 0 GPRESSURE: 224100 0 0 0 0 0 0 0 0 0 PRESSAVG: 224100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224100 0 0 0 0 0 0 0 0 0 TIMING: 224100 CPU: 892.998, 0.00397542/step Wall: 892.998, 0.00397542/step, 0.304672 hours remaining, 109.511719 MB of memory in use. ENERGY: 224100 675.4187 1902.4863 2011.8156 98.1993 -15.2076 -1023.8774 168.2000 0.0000 2755.8145 6572.8493 304.3874 3817.0349 6608.5025 303.2939 PRESSURE: 224200 0 0 0 0 0 0 0 0 0 GPRESSURE: 224200 0 0 0 0 0 0 0 0 0 PRESSAVG: 224200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224200 0 0 0 0 0 0 0 0 0 TIMING: 224200 CPU: 893.395, 0.003974/step Wall: 893.395, 0.00397399/step, 0.304452 hours remaining, 109.511719 MB of memory in use. ENERGY: 224200 667.7823 1896.8970 2026.3993 90.7353 -14.6447 -1036.7677 169.2140 0.0000 2768.4738 6568.0893 305.7856 3799.6156 6601.3839 305.0055 LDB: ============= START OF LOAD BALANCING ============== 896.171 LDB: ============== END OF LOAD BALANCING =============== 896.171 LDB: =============== DONE WITH MIGRATION ================ 896.171 PRESSURE: 224300 0 0 0 0 0 0 0 0 0 GPRESSURE: 224300 0 0 0 0 0 0 0 0 0 PRESSAVG: 224300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224300 0 0 0 0 0 0 0 0 0 TIMING: 224300 CPU: 893.794, 0.00398796/step Wall: 893.794, 0.00398797/step, 0.305412 hours remaining, 109.511719 MB of memory in use. ENERGY: 224300 620.4246 1888.5877 1998.3831 92.8748 -15.0698 -1021.4648 162.8812 0.0000 2855.9350 6582.5519 315.4460 3726.6169 6618.2575 304.9269 LDB: ============= START OF LOAD BALANCING ============== 896.569 LDB: ============== END OF LOAD BALANCING =============== 896.57 LDB: =============== DONE WITH MIGRATION ================ 896.57 PRESSURE: 224400 0 0 0 0 0 0 0 0 0 GPRESSURE: 224400 0 0 0 0 0 0 0 0 0 PRESSAVG: 224400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224400 0 0 0 0 0 0 0 0 0 TIMING: 224400 CPU: 894.192, 0.00398122/step Wall: 894.192, 0.00398122/step, 0.304785 hours remaining, 109.511719 MB of memory in use. ENERGY: 224400 649.9673 1932.6106 2012.5535 119.8066 -15.7732 -1072.9509 168.4038 0.0000 2768.8522 6563.4699 305.8274 3794.6177 6597.1560 306.4886 PRESSURE: 224500 0 0 0 0 0 0 0 0 0 GPRESSURE: 224500 0 0 0 0 0 0 0 0 0 PRESSAVG: 224500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224500 0 0 0 0 0 0 0 0 0 TIMING: 224500 CPU: 894.591, 0.00398719/step Wall: 894.591, 0.00398719/step, 0.305131 hours remaining, 109.511719 MB of memory in use. ENERGY: 224500 668.1990 1903.4542 2006.8477 103.8627 -15.0348 -1026.5576 168.9803 0.0000 2694.5887 6504.3402 297.6248 3809.7515 6535.7629 301.7154 PRESSURE: 224600 0 0 0 0 0 0 0 0 0 GPRESSURE: 224600 0 0 0 0 0 0 0 0 0 PRESSAVG: 224600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224600 0 0 0 0 0 0 0 0 0 TIMING: 224600 CPU: 894.988, 0.00397288/step Wall: 894.988, 0.00397288/step, 0.303925 hours remaining, 109.511719 MB of memory in use. ENERGY: 224600 665.9277 1849.0107 2034.8159 99.1219 -15.0973 -1036.1631 166.7526 0.0000 2740.5590 6504.9274 302.7024 3764.3684 6539.3766 300.3514 PRESSURE: 224700 0 0 0 0 0 0 0 0 0 GPRESSURE: 224700 0 0 0 0 0 0 0 0 0 PRESSAVG: 224700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224700 0 0 0 0 0 0 0 0 0 TIMING: 224700 CPU: 895.386, 0.00397594/step Wall: 895.386, 0.00397594/step, 0.304049 hours remaining, 109.511719 MB of memory in use. ENERGY: 224700 620.2817 1898.5688 2045.4936 112.9409 -14.8277 -1040.9633 158.9625 0.0000 2744.4433 6524.8997 303.1314 3780.4564 6557.8250 302.2873 PRESSURE: 224800 0 0 0 0 0 0 0 0 0 GPRESSURE: 224800 0 0 0 0 0 0 0 0 0 PRESSAVG: 224800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224800 0 0 0 0 0 0 0 0 0 TIMING: 224800 CPU: 895.784, 0.00398573/step Wall: 895.784, 0.00398573/step, 0.304687 hours remaining, 109.511719 MB of memory in use. ENERGY: 224800 663.3951 1840.1049 2034.9960 96.3558 -14.5867 -1053.7165 162.8459 0.0000 2762.4720 6491.8666 305.1227 3729.3946 6527.3488 301.1140 PRESSURE: 224900 0 0 0 0 0 0 0 0 0 GPRESSURE: 224900 0 0 0 0 0 0 0 0 0 PRESSAVG: 224900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 224900 0 0 0 0 0 0 0 0 0 TIMING: 224900 CPU: 896.181, 0.00397217/step Wall: 896.181, 0.00397217/step, 0.30354 hours remaining, 109.511719 MB of memory in use. ENERGY: 224900 646.4385 1881.4930 2038.2520 96.2659 -14.6884 -1031.8462 170.0239 0.0000 2710.5207 6496.4594 299.3846 3785.9387 6531.0199 301.2950 PRESSURE: 225000 0 0 0 0 0 0 0 0 0 GPRESSURE: 225000 0 0 0 0 0 0 0 0 0 PRESSAVG: 225000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225000 0 0 0 0 0 0 0 0 0 TIMING: 225000 CPU: 896.58, 0.00398857/step Wall: 896.58, 0.00398857/step, 0.304682 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 225000 659.3323 1886.4179 2023.6444 107.0883 -14.4268 -1058.8796 157.1360 0.0000 2743.4202 6503.7327 303.0184 3760.3125 6538.7630 299.7995 PRESSURE: 225100 0 0 0 0 0 0 0 0 0 GPRESSURE: 225100 0 0 0 0 0 0 0 0 0 PRESSAVG: 225100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225100 0 0 0 0 0 0 0 0 0 TIMING: 225100 CPU: 896.977, 0.00397166/step Wall: 896.977, 0.00397166/step, 0.30328 hours remaining, 109.511719 MB of memory in use. ENERGY: 225100 663.2417 1839.5672 2023.8920 101.5325 -14.4535 -1000.0440 166.9832 0.0000 2704.4122 6485.1313 298.7099 3780.7191 6516.8448 300.3154 PRESSURE: 225200 0 0 0 0 0 0 0 0 0 GPRESSURE: 225200 0 0 0 0 0 0 0 0 0 PRESSAVG: 225200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225200 0 0 0 0 0 0 0 0 0 TIMING: 225200 CPU: 897.375, 0.0039742/step Wall: 897.375, 0.0039742/step, 0.303364 hours remaining, 109.511719 MB of memory in use. ENERGY: 225200 661.8421 1855.9040 2023.4616 101.1346 -13.7837 -1004.7951 165.0012 0.0000 2716.1912 6504.9557 300.0109 3788.7645 6537.8684 299.5279 PRESSURE: 225300 0 0 0 0 0 0 0 0 0 GPRESSURE: 225300 0 0 0 0 0 0 0 0 0 PRESSAVG: 225300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225300 0 0 0 0 0 0 0 0 0 TIMING: 225300 CPU: 897.774, 0.00398721/step Wall: 897.774, 0.00398721/step, 0.304246 hours remaining, 109.511719 MB of memory in use. ENERGY: 225300 651.2135 1928.1187 2017.6423 105.1812 -14.6422 -1063.9653 163.0612 0.0000 2745.6591 6532.2686 303.2657 3786.6096 6570.2764 302.1900 PRESSURE: 225400 0 0 0 0 0 0 0 0 0 GPRESSURE: 225400 0 0 0 0 0 0 0 0 0 PRESSAVG: 225400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225400 0 0 0 0 0 0 0 0 0 TIMING: 225400 CPU: 898.171, 0.00397418/step Wall: 898.171, 0.00397418/step, 0.303142 hours remaining, 109.511719 MB of memory in use. ENERGY: 225400 659.4682 1865.7270 2025.9144 105.5245 -15.0931 -1049.7820 163.0931 0.0000 2720.4258 6475.2778 300.4786 3754.8520 6508.6054 300.5770 PRESSURE: 225500 0 0 0 0 0 0 0 0 0 GPRESSURE: 225500 0 0 0 0 0 0 0 0 0 PRESSAVG: 225500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225500 0 0 0 0 0 0 0 0 0 TIMING: 225500 CPU: 898.57, 0.00398557/step Wall: 898.57, 0.00398557/step, 0.3039 hours remaining, 109.511719 MB of memory in use. ENERGY: 225500 664.1296 1866.8435 2003.4242 107.2814 -15.0703 -1050.3248 155.8727 0.0000 2706.4555 6438.6119 298.9356 3732.1563 6470.9645 298.5700 PRESSURE: 225600 0 0 0 0 0 0 0 0 0 GPRESSURE: 225600 0 0 0 0 0 0 0 0 0 PRESSAVG: 225600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225600 0 0 0 0 0 0 0 0 0 TIMING: 225600 CPU: 898.967, 0.00397523/step Wall: 898.967, 0.00397523/step, 0.303001 hours remaining, 109.511719 MB of memory in use. ENERGY: 225600 614.1561 1882.1347 1980.3375 102.8622 -14.4125 -1053.3637 167.8449 0.0000 2707.0149 6386.5740 298.9973 3679.5591 6420.4787 295.5102 PRESSURE: 225700 0 0 0 0 0 0 0 0 0 GPRESSURE: 225700 0 0 0 0 0 0 0 0 0 PRESSAVG: 225700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225700 0 0 0 0 0 0 0 0 0 TIMING: 225700 CPU: 899.365, 0.00397557/step Wall: 899.365, 0.00397557/step, 0.302916 hours remaining, 109.511719 MB of memory in use. ENERGY: 225700 609.8916 1881.4148 2013.4752 107.6954 -14.1200 -1050.9113 168.1929 0.0000 2639.4438 6355.0824 291.5339 3715.6386 6385.3241 294.2701 PRESSURE: 225800 0 0 0 0 0 0 0 0 0 GPRESSURE: 225800 0 0 0 0 0 0 0 0 0 PRESSAVG: 225800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225800 0 0 0 0 0 0 0 0 0 TIMING: 225800 CPU: 899.763, 0.00398583/step Wall: 899.763, 0.00398583/step, 0.303587 hours remaining, 109.511719 MB of memory in use. ENERGY: 225800 629.7563 1847.0572 2002.2821 102.3753 -14.7730 -1012.1352 149.5133 0.0000 2683.5594 6387.6354 296.4066 3704.0760 6417.8027 292.2186 PRESSURE: 225900 0 0 0 0 0 0 0 0 0 GPRESSURE: 225900 0 0 0 0 0 0 0 0 0 PRESSAVG: 225900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 225900 0 0 0 0 0 0 0 0 0 TIMING: 225900 CPU: 900.161, 0.00397578/step Wall: 900.161, 0.00397578/step, 0.302711 hours remaining, 109.511719 MB of memory in use. ENERGY: 225900 646.2330 1850.1124 2008.1528 104.9648 -14.1875 -1037.7259 162.0913 0.0000 2660.6826 6380.3235 293.8798 3719.6408 6409.6617 295.2396 PRESSURE: 226000 0 0 0 0 0 0 0 0 0 GPRESSURE: 226000 0 0 0 0 0 0 0 0 0 PRESSAVG: 226000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226000 0 0 0 0 0 0 0 0 0 TIMING: 226000 CPU: 900.559, 0.00398693/step Wall: 900.559, 0.00398693/step, 0.30345 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 226000 663.1627 1824.8605 2026.2502 99.2074 -15.4530 -993.2226 159.9276 0.0000 2669.2174 6433.9501 294.8225 3764.7327 6464.9766 294.4906 PRESSURE: 226100 0 0 0 0 0 0 0 0 0 GPRESSURE: 226100 0 0 0 0 0 0 0 0 0 PRESSAVG: 226100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226100 0 0 0 0 0 0 0 0 0 TIMING: 226100 CPU: 900.957, 0.00397594/step Wall: 900.957, 0.00397594/step, 0.302503 hours remaining, 109.511719 MB of memory in use. ENERGY: 226100 657.7426 1895.6931 2022.5049 106.5475 -14.1365 -1030.5931 163.6481 0.0000 2679.4199 6480.8265 295.9494 3801.4066 6511.9189 296.8271 PRESSURE: 226200 0 0 0 0 0 0 0 0 0 GPRESSURE: 226200 0 0 0 0 0 0 0 0 0 PRESSAVG: 226200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226200 0 0 0 0 0 0 0 0 0 TIMING: 226200 CPU: 901.354, 0.00397367/step Wall: 901.354, 0.00397367/step, 0.30222 hours remaining, 109.511719 MB of memory in use. ENERGY: 226200 669.0113 1899.2760 2006.4183 105.7305 -15.3439 -1029.1193 171.5024 0.0000 2684.6053 6492.0804 296.5221 3807.4752 6523.5384 299.3889 PRESSURE: 226300 0 0 0 0 0 0 0 0 0 GPRESSURE: 226300 0 0 0 0 0 0 0 0 0 PRESSAVG: 226300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226300 0 0 0 0 0 0 0 0 0 TIMING: 226300 CPU: 901.753, 0.00398757/step Wall: 901.753, 0.00398757/step, 0.303166 hours remaining, 109.511719 MB of memory in use. ENERGY: 226300 692.2889 1853.7018 2036.5173 108.9883 -13.4721 -1070.5684 163.6072 0.0000 2683.2892 6454.3522 296.3768 3771.0630 6488.0947 298.0848 PRESSURE: 226400 0 0 0 0 0 0 0 0 0 GPRESSURE: 226400 0 0 0 0 0 0 0 0 0 PRESSAVG: 226400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226400 0 0 0 0 0 0 0 0 0 TIMING: 226400 CPU: 902.15, 0.00397143/step Wall: 902.15, 0.00397143/step, 0.301829 hours remaining, 109.511719 MB of memory in use. ENERGY: 226400 632.3438 1901.5267 2003.7677 97.8135 -14.8617 -1059.4020 162.2717 0.0000 2747.9106 6471.3703 303.5144 3723.4597 6503.6561 299.6610 PRESSURE: 226500 0 0 0 0 0 0 0 0 0 GPRESSURE: 226500 0 0 0 0 0 0 0 0 0 PRESSAVG: 226500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226500 0 0 0 0 0 0 0 0 0 TIMING: 226500 CPU: 902.548, 0.00397443/step Wall: 902.548, 0.00397443/step, 0.301946 hours remaining, 109.511719 MB of memory in use. ENERGY: 226500 627.3652 1892.9267 2027.4987 102.7680 -15.2524 -1044.9598 166.9410 0.0000 2724.6729 6481.9603 300.9477 3757.2874 6512.4167 299.4080 PRESSURE: 226600 0 0 0 0 0 0 0 0 0 GPRESSURE: 226600 0 0 0 0 0 0 0 0 0 PRESSAVG: 226600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226600 0 0 0 0 0 0 0 0 0 TIMING: 226600 CPU: 902.946, 0.0039836/step Wall: 902.946, 0.0039836/step, 0.302532 hours remaining, 109.511719 MB of memory in use. ENERGY: 226600 653.9505 1849.6256 2012.0468 98.5278 -14.1850 -1051.0982 159.7968 0.0000 2726.1337 6434.7980 301.1091 3708.6642 6465.6472 300.0979 PRESSURE: 226700 0 0 0 0 0 0 0 0 0 GPRESSURE: 226700 0 0 0 0 0 0 0 0 0 PRESSAVG: 226700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226700 0 0 0 0 0 0 0 0 0 TIMING: 226700 CPU: 903.344, 0.00397835/step Wall: 903.344, 0.00397835/step, 0.302023 hours remaining, 109.511719 MB of memory in use. ENERGY: 226700 648.1555 1898.0172 2031.4081 116.4781 -15.8409 -1023.3185 157.9625 0.0000 2661.8109 6474.6727 294.0044 3812.8618 6505.6392 298.1894 PRESSURE: 226800 0 0 0 0 0 0 0 0 0 GPRESSURE: 226800 0 0 0 0 0 0 0 0 0 PRESSAVG: 226800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226800 0 0 0 0 0 0 0 0 0 TIMING: 226800 CPU: 903.743, 0.00398578/step Wall: 903.743, 0.00398578/step, 0.302476 hours remaining, 109.511719 MB of memory in use. ENERGY: 226800 683.7593 1892.1331 2030.3571 101.7063 -16.0972 -1052.8828 166.7069 0.0000 2712.6795 6518.3622 299.6230 3805.6827 6552.9640 299.6377 PRESSURE: 226900 0 0 0 0 0 0 0 0 0 GPRESSURE: 226900 0 0 0 0 0 0 0 0 0 PRESSAVG: 226900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 226900 0 0 0 0 0 0 0 0 0 TIMING: 226900 CPU: 904.14, 0.00397317/step Wall: 904.14, 0.00397317/step, 0.301409 hours remaining, 109.511719 MB of memory in use. ENERGY: 226900 644.3083 1830.4650 2042.7331 119.2828 -15.8206 -1019.3964 156.3496 0.0000 2755.5609 6513.4826 304.3594 3757.9216 6549.8092 301.5164 PRESSURE: 227000 0 0 0 0 0 0 0 0 0 GPRESSURE: 227000 0 0 0 0 0 0 0 0 0 PRESSAVG: 227000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227000 0 0 0 0 0 0 0 0 0 TIMING: 227000 CPU: 904.537, 0.00397412/step Wall: 904.537, 0.00397412/step, 0.301371 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 227000 643.8295 1883.5273 2021.7722 99.1638 -15.3134 -1057.1371 167.7089 0.0000 2747.7153 6491.2667 303.4928 3743.5513 6526.7201 299.2915 PRESSURE: 227100 0 0 0 0 0 0 0 0 0 GPRESSURE: 227100 0 0 0 0 0 0 0 0 0 PRESSAVG: 227100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227100 0 0 0 0 0 0 0 0 0 TIMING: 227100 CPU: 904.936, 0.00398802/step Wall: 904.936, 0.00398802/step, 0.302314 hours remaining, 109.511719 MB of memory in use. ENERGY: 227100 687.6383 1858.1317 2022.0491 120.9376 -15.3802 -1037.4827 171.2001 0.0000 2730.8946 6537.9886 301.6349 3807.0940 6570.5627 301.1321 PRESSURE: 227200 0 0 0 0 0 0 0 0 0 GPRESSURE: 227200 0 0 0 0 0 0 0 0 0 PRESSAVG: 227200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227200 0 0 0 0 0 0 0 0 0 TIMING: 227200 CPU: 905.334, 0.00397752/step Wall: 905.334, 0.00397752/step, 0.301408 hours remaining, 109.511719 MB of memory in use. ENERGY: 227200 656.1697 1925.5086 2006.8173 99.9909 -16.0497 -1029.1785 155.3387 0.0000 2762.4092 6561.0064 305.1158 3798.5972 6593.4839 303.9012 PRESSURE: 227300 0 0 0 0 0 0 0 0 0 GPRESSURE: 227300 0 0 0 0 0 0 0 0 0 PRESSAVG: 227300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227300 0 0 0 0 0 0 0 0 0 TIMING: 227300 CPU: 905.733, 0.00398804/step Wall: 905.733, 0.00398804/step, 0.302094 hours remaining, 109.511719 MB of memory in use. ENERGY: 227300 661.7960 1954.0866 2031.2830 103.2361 -14.5861 -1098.8757 171.6044 0.0000 2737.5288 6546.0731 302.3677 3808.5443 6580.3623 303.1180 PRESSURE: 227400 0 0 0 0 0 0 0 0 0 GPRESSURE: 227400 0 0 0 0 0 0 0 0 0 PRESSAVG: 227400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227400 0 0 0 0 0 0 0 0 0 TIMING: 227400 CPU: 906.13, 0.00397518/step Wall: 906.13, 0.00397518/step, 0.30101 hours remaining, 109.511719 MB of memory in use. ENERGY: 227400 678.5441 1899.6401 2020.6568 98.4019 -15.8820 -1040.0904 158.8712 0.0000 2707.9980 6508.1398 299.1059 3800.1418 6539.9663 301.4756 PRESSURE: 227500 0 0 0 0 0 0 0 0 0 GPRESSURE: 227500 0 0 0 0 0 0 0 0 0 PRESSAVG: 227500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227500 0 0 0 0 0 0 0 0 0 TIMING: 227500 CPU: 906.528, 0.00397575/step Wall: 906.528, 0.00397575/step, 0.300942 hours remaining, 109.511719 MB of memory in use. ENERGY: 227500 661.5100 1937.9607 2004.9790 98.5588 -16.4122 -1084.7257 167.8946 0.0000 2708.8868 6478.6520 299.2041 3769.7653 6512.8236 300.0861 PRESSURE: 227600 0 0 0 0 0 0 0 0 0 GPRESSURE: 227600 0 0 0 0 0 0 0 0 0 PRESSAVG: 227600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227600 0 0 0 0 0 0 0 0 0 TIMING: 227600 CPU: 906.926, 0.00398529/step Wall: 906.926, 0.00398529/step, 0.301554 hours remaining, 109.511719 MB of memory in use. ENERGY: 227600 645.6111 1909.9923 2017.8688 109.1262 -14.6454 -1052.7104 162.0286 0.0000 2710.5066 6487.7778 299.3830 3777.2712 6520.2021 300.4458 PRESSURE: 227700 0 0 0 0 0 0 0 0 0 GPRESSURE: 227700 0 0 0 0 0 0 0 0 0 PRESSAVG: 227700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227700 0 0 0 0 0 0 0 0 0 TIMING: 227700 CPU: 907.324, 0.00397596/step Wall: 907.324, 0.00397596/step, 0.300737 hours remaining, 109.511719 MB of memory in use. ENERGY: 227700 638.6778 1910.4347 2007.1200 116.1602 -13.2348 -1055.2958 161.8373 0.0000 2704.3736 6470.0729 298.7056 3765.6994 6502.4388 299.6251 PRESSURE: 227800 0 0 0 0 0 0 0 0 0 GPRESSURE: 227800 0 0 0 0 0 0 0 0 0 PRESSAVG: 227800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227800 0 0 0 0 0 0 0 0 0 TIMING: 227800 CPU: 907.723, 0.00398832/step Wall: 907.723, 0.00398832/step, 0.301561 hours remaining, 109.511719 MB of memory in use. ENERGY: 227800 648.1931 1900.7865 2028.8967 106.1423 -14.0791 -1066.0580 161.8756 0.0000 2724.8468 6490.6038 300.9669 3765.7570 6524.1905 299.5818 PRESSURE: 227900 0 0 0 0 0 0 0 0 0 GPRESSURE: 227900 0 0 0 0 0 0 0 0 0 PRESSAVG: 227900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 227900 0 0 0 0 0 0 0 0 0 TIMING: 227900 CPU: 908.12, 0.00397669/step Wall: 908.12, 0.00397669/step, 0.300572 hours remaining, 109.511719 MB of memory in use. ENERGY: 227900 609.5940 1915.5273 2028.9887 96.7973 -13.7901 -1024.5384 171.9714 0.0000 2721.5579 6506.1082 300.6037 3784.5502 6537.8689 302.1629 PRESSURE: 228000 0 0 0 0 0 0 0 0 0 GPRESSURE: 228000 0 0 0 0 0 0 0 0 0 PRESSAVG: 228000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228000 0 0 0 0 0 0 0 0 0 TIMING: 228000 CPU: 908.518, 0.00397645/step Wall: 908.518, 0.00397645/step, 0.300443 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 228000 632.1150 1925.3767 2016.5487 95.2697 -13.7891 -1053.1960 164.7228 0.0000 2726.8499 6493.8977 301.1882 3767.0478 6528.6916 299.4174 PRESSURE: 228100 0 0 0 0 0 0 0 0 0 GPRESSURE: 228100 0 0 0 0 0 0 0 0 0 PRESSAVG: 228100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228100 0 0 0 0 0 0 0 0 0 TIMING: 228100 CPU: 908.917, 0.00398918/step Wall: 908.917, 0.00398918/step, 0.301294 hours remaining, 109.511719 MB of memory in use. ENERGY: 228100 669.2689 1904.9907 2030.4858 102.0988 -15.2081 -1058.4011 161.6718 0.0000 2695.7785 6490.6854 297.7562 3794.9069 6523.4586 299.4911 PRESSURE: 228200 0 0 0 0 0 0 0 0 0 GPRESSURE: 228200 0 0 0 0 0 0 0 0 0 PRESSAVG: 228200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228200 0 0 0 0 0 0 0 0 0 TIMING: 228200 CPU: 909.314, 0.00397486/step Wall: 909.314, 0.00397486/step, 0.300102 hours remaining, 109.511719 MB of memory in use. ENERGY: 228200 677.4137 1905.5497 2024.9319 100.0383 -16.0873 -1059.0208 155.7133 0.0000 2721.4879 6510.0266 300.5959 3788.5388 6543.5816 301.5116 LDB: ============= START OF LOAD BALANCING ============== 912.091 LDB: ============== END OF LOAD BALANCING =============== 912.091 LDB: =============== DONE WITH MIGRATION ================ 912.091 PRESSURE: 228300 0 0 0 0 0 0 0 0 0 GPRESSURE: 228300 0 0 0 0 0 0 0 0 0 PRESSAVG: 228300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228300 0 0 0 0 0 0 0 0 0 TIMING: 228300 CPU: 909.713, 0.0039887/step Wall: 909.713, 0.00398869/step, 0.301035 hours remaining, 109.511719 MB of memory in use. ENERGY: 228300 656.9958 1884.5899 2015.3543 114.6629 -14.5606 -1054.6202 173.4593 0.0000 2733.9538 6509.8351 301.9728 3775.8813 6543.8954 300.3279 LDB: ============= START OF LOAD BALANCING ============== 912.489 LDB: ============== END OF LOAD BALANCING =============== 912.489 LDB: =============== DONE WITH MIGRATION ================ 912.489 PRESSURE: 228400 0 0 0 0 0 0 0 0 0 GPRESSURE: 228400 0 0 0 0 0 0 0 0 0 PRESSAVG: 228400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228400 0 0 0 0 0 0 0 0 0 TIMING: 228400 CPU: 910.112, 0.00398366/step Wall: 910.112, 0.00398367/step, 0.300546 hours remaining, 109.511719 MB of memory in use. ENERGY: 228400 630.5945 1872.3302 2023.4123 96.7260 -14.4002 -1022.4614 176.7744 0.0000 2738.3322 6501.3079 302.4564 3762.9757 6534.6534 300.2311 PRESSURE: 228500 0 0 0 0 0 0 0 0 0 GPRESSURE: 228500 0 0 0 0 0 0 0 0 0 PRESSAVG: 228500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228500 0 0 0 0 0 0 0 0 0 TIMING: 228500 CPU: 910.509, 0.00397608/step Wall: 910.509, 0.00397608/step, 0.299863 hours remaining, 109.511719 MB of memory in use. ENERGY: 228500 627.8254 1893.3542 2032.7733 113.0847 -13.5032 -1016.8568 163.4885 0.0000 2677.3949 6477.5610 295.7257 3800.1661 6512.6119 298.6040 PRESSURE: 228600 0 0 0 0 0 0 0 0 0 GPRESSURE: 228600 0 0 0 0 0 0 0 0 0 PRESSAVG: 228600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228600 0 0 0 0 0 0 0 0 0 TIMING: 228600 CPU: 910.909, 0.00400166/step Wall: 910.909, 0.00400166/step, 0.301681 hours remaining, 109.511719 MB of memory in use. ENERGY: 228600 663.2644 1913.3334 1995.2501 107.5823 -13.5591 -1040.6870 163.4423 0.0000 2707.9763 6496.6028 299.1035 3788.6265 6528.2210 299.5546 PRESSURE: 228700 0 0 0 0 0 0 0 0 0 GPRESSURE: 228700 0 0 0 0 0 0 0 0 0 PRESSAVG: 228700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228700 0 0 0 0 0 0 0 0 0 TIMING: 228700 CPU: 911.308, 0.00398543/step Wall: 911.308, 0.00398543/step, 0.300347 hours remaining, 109.511719 MB of memory in use. ENERGY: 228700 653.3827 1917.0338 2024.0096 109.0397 -13.9399 -1025.5726 179.8086 0.0000 2659.1387 6502.9006 293.7093 3843.7619 6533.3941 298.7258 PRESSURE: 228800 0 0 0 0 0 0 0 0 0 GPRESSURE: 228800 0 0 0 0 0 0 0 0 0 PRESSAVG: 228800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228800 0 0 0 0 0 0 0 0 0 TIMING: 228800 CPU: 911.707, 0.00399405/step Wall: 911.707, 0.00399405/step, 0.300885 hours remaining, 109.511719 MB of memory in use. ENERGY: 228800 631.4211 1889.6999 2024.7616 112.0913 -13.5137 -1033.7675 160.0071 0.0000 2713.1380 6483.8378 299.6737 3770.6998 6519.1992 298.3168 PRESSURE: 228900 0 0 0 0 0 0 0 0 0 GPRESSURE: 228900 0 0 0 0 0 0 0 0 0 PRESSAVG: 228900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 228900 0 0 0 0 0 0 0 0 0 TIMING: 228900 CPU: 912.105, 0.0039793/step Wall: 912.105, 0.0039793/step, 0.299663 hours remaining, 109.511719 MB of memory in use. ENERGY: 228900 623.1243 1866.7894 2016.3899 99.1158 -13.1455 -1055.4814 142.7789 0.0000 2782.3009 6461.8723 307.3129 3679.5714 6499.0637 299.1769 PRESSURE: 229000 0 0 0 0 0 0 0 0 0 GPRESSURE: 229000 0 0 0 0 0 0 0 0 0 PRESSAVG: 229000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229000 0 0 0 0 0 0 0 0 0 TIMING: 229000 CPU: 912.503, 0.00397777/step Wall: 912.503, 0.00397777/step, 0.299438 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 229000 684.1110 1915.3280 2016.1328 91.8558 -12.2226 -1059.6447 159.6533 0.0000 2698.2708 6493.4844 298.0315 3795.2136 6523.8261 298.6760 PRESSURE: 229100 0 0 0 0 0 0 0 0 0 GPRESSURE: 229100 0 0 0 0 0 0 0 0 0 PRESSAVG: 229100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229100 0 0 0 0 0 0 0 0 0 TIMING: 229100 CPU: 912.902, 0.0039873/step Wall: 912.902, 0.0039873/step, 0.300044 hours remaining, 109.511719 MB of memory in use. ENERGY: 229100 658.6527 1867.0074 2043.6242 105.5222 -13.3317 -1067.8647 157.4411 0.0000 2743.3782 6494.4295 303.0138 3751.0512 6527.4125 300.2863 PRESSURE: 229200 0 0 0 0 0 0 0 0 0 GPRESSURE: 229200 0 0 0 0 0 0 0 0 0 PRESSAVG: 229200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229200 0 0 0 0 0 0 0 0 0 TIMING: 229200 CPU: 913.299, 0.00397461/step Wall: 913.299, 0.00397461/step, 0.298979 hours remaining, 109.511719 MB of memory in use. ENERGY: 229200 640.1848 1892.6784 1996.9165 110.4359 -13.3227 -1034.2363 165.8664 0.0000 2728.7349 6487.2579 301.3964 3758.5230 6523.0392 299.2972 PRESSURE: 229300 0 0 0 0 0 0 0 0 0 GPRESSURE: 229300 0 0 0 0 0 0 0 0 0 PRESSAVG: 229300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229300 0 0 0 0 0 0 0 0 0 TIMING: 229300 CPU: 913.698, 0.00399141/step Wall: 913.698, 0.00399141/step, 0.300132 hours remaining, 109.511719 MB of memory in use. ENERGY: 229300 618.5971 1868.4075 2044.4397 116.9392 -14.8812 -1026.4992 152.4690 0.0000 2754.1024 6513.5744 304.1983 3759.4720 6549.8960 302.1324 PRESSURE: 229400 0 0 0 0 0 0 0 0 0 GPRESSURE: 229400 0 0 0 0 0 0 0 0 0 PRESSAVG: 229400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229400 0 0 0 0 0 0 0 0 0 TIMING: 229400 CPU: 914.096, 0.00397155/step Wall: 914.096, 0.00397155/step, 0.298528 hours remaining, 109.511719 MB of memory in use. ENERGY: 229400 625.2488 1865.1699 2038.0867 110.4098 -14.0004 -1046.4487 166.4358 0.0000 2769.5774 6514.4793 305.9075 3744.9020 6547.6719 301.3901 PRESSURE: 229500 0 0 0 0 0 0 0 0 0 GPRESSURE: 229500 0 0 0 0 0 0 0 0 0 PRESSAVG: 229500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229500 0 0 0 0 0 0 0 0 0 TIMING: 229500 CPU: 914.493, 0.00397511/step Wall: 914.493, 0.00397511/step, 0.298685 hours remaining, 109.511719 MB of memory in use. ENERGY: 229500 645.4465 1913.4306 2014.1883 108.9521 -14.5777 -1026.2538 162.0557 0.0000 2688.1072 6491.3488 296.9089 3803.2416 6524.9079 300.5098 PRESSURE: 229600 0 0 0 0 0 0 0 0 0 GPRESSURE: 229600 0 0 0 0 0 0 0 0 0 PRESSAVG: 229600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229600 0 0 0 0 0 0 0 0 0 TIMING: 229600 CPU: 914.892, 0.00398901/step Wall: 914.892, 0.00398901/step, 0.299619 hours remaining, 109.511719 MB of memory in use. ENERGY: 229600 660.1909 1881.9502 2010.5229 100.4462 -14.8815 -1061.1695 167.9546 0.0000 2763.4691 6508.4829 305.2329 3745.0138 6543.2300 302.4532 PRESSURE: 229700 0 0 0 0 0 0 0 0 0 GPRESSURE: 229700 0 0 0 0 0 0 0 0 0 PRESSAVG: 229700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229700 0 0 0 0 0 0 0 0 0 TIMING: 229700 CPU: 915.289, 0.00397312/step Wall: 915.289, 0.00397312/step, 0.298315 hours remaining, 109.511719 MB of memory in use. ENERGY: 229700 672.6940 1850.7204 2025.7041 102.9571 -15.0559 -1024.5043 158.9268 0.0000 2730.5025 6501.9448 301.5916 3771.4423 6534.7832 300.9908 PRESSURE: 229800 0 0 0 0 0 0 0 0 0 GPRESSURE: 229800 0 0 0 0 0 0 0 0 0 PRESSAVG: 229800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229800 0 0 0 0 0 0 0 0 0 TIMING: 229800 CPU: 915.688, 0.00398579/step Wall: 915.688, 0.00398578/step, 0.299155 hours remaining, 109.511719 MB of memory in use. ENERGY: 229800 663.2468 1886.1814 2011.5344 101.5471 -14.8483 -1043.0554 169.5786 0.0000 2757.9838 6532.1684 304.6270 3774.1846 6564.1389 301.5261 PRESSURE: 229900 0 0 0 0 0 0 0 0 0 GPRESSURE: 229900 0 0 0 0 0 0 0 0 0 PRESSAVG: 229900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 229900 0 0 0 0 0 0 0 0 0 TIMING: 229900 CPU: 916.085, 0.00397521/step Wall: 916.085, 0.00397522/step, 0.298252 hours remaining, 109.511719 MB of memory in use. ENERGY: 229900 683.4624 1882.3815 2009.8851 101.7303 -14.4118 -1067.4256 164.2829 0.0000 2757.2205 6517.1252 304.5427 3759.9048 6551.9962 301.9482 PRESSURE: 230000 0 0 0 0 0 0 0 0 0 GPRESSURE: 230000 0 0 0 0 0 0 0 0 0 PRESSAVG: 230000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230000 0 0 0 0 0 0 0 0 0 TIMING: 230000 CPU: 916.483, 0.00397777/step Wall: 916.483, 0.00397777/step, 0.298333 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 230000 651.6372 1915.4155 2036.0893 100.3936 -14.2292 -1041.4379 163.4389 0.0000 2715.7327 6527.0401 299.9602 3811.3074 6560.5603 301.0501 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 230000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 230000 WRITING COORDINATES TO RESTART FILE AT STEP 230000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 230000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 230100 0 0 0 0 0 0 0 0 0 GPRESSURE: 230100 0 0 0 0 0 0 0 0 0 PRESSAVG: 230100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230100 0 0 0 0 0 0 0 0 0 TIMING: 230100 CPU: 916.912, 0.00428854/step Wall: 916.912, 0.00428853/step, 0.32152 hours remaining, 109.511719 MB of memory in use. ENERGY: 230100 646.4201 1868.3312 2034.4316 103.0862 -14.6213 -1059.3066 153.5776 0.0000 2750.9443 6482.8632 303.8495 3731.9189 6516.8773 300.2049 PRESSURE: 230200 0 0 0 0 0 0 0 0 0 GPRESSURE: 230200 0 0 0 0 0 0 0 0 0 PRESSAVG: 230200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230200 0 0 0 0 0 0 0 0 0 TIMING: 230200 CPU: 917.31, 0.00397638/step Wall: 917.31, 0.00397639/step, 0.298008 hours remaining, 109.511719 MB of memory in use. ENERGY: 230200 689.1940 1917.7448 2005.7792 111.8322 -14.4908 -1077.8488 156.1793 0.0000 2696.7299 6485.1199 297.8613 3788.3900 6514.8120 300.4392 PRESSURE: 230300 0 0 0 0 0 0 0 0 0 GPRESSURE: 230300 0 0 0 0 0 0 0 0 0 PRESSAVG: 230300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230300 0 0 0 0 0 0 0 0 0 TIMING: 230300 CPU: 917.708, 0.00398516/step Wall: 917.708, 0.00398516/step, 0.298555 hours remaining, 109.511719 MB of memory in use. ENERGY: 230300 650.1663 1859.9594 2027.3762 99.3107 -15.0756 -997.1320 167.5898 0.0000 2682.2472 6474.4421 296.2617 3792.1948 6507.3128 297.7199 PRESSURE: 230400 0 0 0 0 0 0 0 0 0 GPRESSURE: 230400 0 0 0 0 0 0 0 0 0 PRESSAVG: 230400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230400 0 0 0 0 0 0 0 0 0 TIMING: 230400 CPU: 918.106, 0.00397429/step Wall: 918.106, 0.00397429/step, 0.29763 hours remaining, 109.511719 MB of memory in use. ENERGY: 230400 639.5480 1892.3767 2030.2262 104.2757 -15.1214 -1037.4871 148.1142 0.0000 2700.2276 6462.1600 298.2477 3761.9324 6496.0907 298.1789 PRESSURE: 230500 0 0 0 0 0 0 0 0 0 GPRESSURE: 230500 0 0 0 0 0 0 0 0 0 PRESSAVG: 230500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230500 0 0 0 0 0 0 0 0 0 TIMING: 230500 CPU: 918.503, 0.00397575/step Wall: 918.503, 0.00397575/step, 0.297629 hours remaining, 109.511719 MB of memory in use. ENERGY: 230500 628.6045 1904.5690 1983.1338 95.8222 -15.0877 -1007.3794 160.1215 0.0000 2716.6258 6466.4097 300.0589 3749.7839 6503.4260 298.6697 PRESSURE: 230600 0 0 0 0 0 0 0 0 0 GPRESSURE: 230600 0 0 0 0 0 0 0 0 0 PRESSAVG: 230600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230600 0 0 0 0 0 0 0 0 0 TIMING: 230600 CPU: 918.902, 0.00398378/step Wall: 918.902, 0.00398378/step, 0.298119 hours remaining, 109.511719 MB of memory in use. ENERGY: 230600 652.0354 1852.9369 2007.7017 95.4577 -16.1300 -1045.8998 171.4885 0.0000 2753.5837 6471.1742 304.1410 3717.5906 6505.6725 299.5749 PRESSURE: 230700 0 0 0 0 0 0 0 0 0 GPRESSURE: 230700 0 0 0 0 0 0 0 0 0 PRESSAVG: 230700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230700 0 0 0 0 0 0 0 0 0 TIMING: 230700 CPU: 919.299, 0.00397511/step Wall: 919.299, 0.00397511/step, 0.29736 hours remaining, 109.511719 MB of memory in use. ENERGY: 230700 635.5938 1889.4682 2004.2629 114.7305 -14.4829 -1023.8039 164.2129 0.0000 2716.0541 6486.0357 299.9957 3769.9815 6517.4747 299.9638 PRESSURE: 230800 0 0 0 0 0 0 0 0 0 GPRESSURE: 230800 0 0 0 0 0 0 0 0 0 PRESSAVG: 230800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230800 0 0 0 0 0 0 0 0 0 TIMING: 230800 CPU: 919.698, 0.00398894/step Wall: 919.698, 0.00398894/step, 0.298284 hours remaining, 109.511719 MB of memory in use. ENERGY: 230800 644.6600 1916.3668 1995.6165 103.6478 -14.1753 -1038.4435 182.0342 0.0000 2676.0892 6465.7957 295.5815 3789.7065 6499.4372 299.6448 PRESSURE: 230900 0 0 0 0 0 0 0 0 0 GPRESSURE: 230900 0 0 0 0 0 0 0 0 0 PRESSAVG: 230900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 230900 0 0 0 0 0 0 0 0 0 TIMING: 230900 CPU: 920.095, 0.0039751/step Wall: 920.095, 0.0039751/step, 0.297139 hours remaining, 109.511719 MB of memory in use. ENERGY: 230900 666.4471 1885.8646 2014.6472 105.3012 -13.3047 -1063.9411 150.7665 0.0000 2722.5539 6468.3347 300.7137 3745.7808 6503.1331 297.7920 PRESSURE: 231000 0 0 0 0 0 0 0 0 0 GPRESSURE: 231000 0 0 0 0 0 0 0 0 0 PRESSAVG: 231000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231000 0 0 0 0 0 0 0 0 0 TIMING: 231000 CPU: 920.493, 0.00397596/step Wall: 920.493, 0.00397596/step, 0.297092 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 231000 645.6711 1943.1352 1980.0985 117.7066 -13.5310 -1029.9488 153.1223 0.0000 2680.1169 6476.3706 296.0264 3796.2538 6508.0873 299.0284 PRESSURE: 231100 0 0 0 0 0 0 0 0 0 GPRESSURE: 231100 0 0 0 0 0 0 0 0 0 PRESSAVG: 231100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231100 0 0 0 0 0 0 0 0 0 TIMING: 231100 CPU: 920.891, 0.0039842/step Wall: 920.891, 0.0039842/step, 0.297598 hours remaining, 109.511719 MB of memory in use. ENERGY: 231100 683.7587 1902.1390 2051.6319 98.0004 -15.1357 -1041.8293 155.6726 0.0000 2635.1384 6469.3760 291.0584 3834.2375 6499.9592 298.9438 PRESSURE: 231200 0 0 0 0 0 0 0 0 0 GPRESSURE: 231200 0 0 0 0 0 0 0 0 0 PRESSAVG: 231200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231200 0 0 0 0 0 0 0 0 0 TIMING: 231200 CPU: 921.289, 0.00397522/step Wall: 921.289, 0.00397522/step, 0.296816 hours remaining, 109.511719 MB of memory in use. ENERGY: 231200 624.4157 1880.5380 2006.8628 111.8072 -16.4181 -1059.2075 151.0580 0.0000 2750.6771 6449.7332 303.8199 3699.0561 6487.6768 298.2230 PRESSURE: 231300 0 0 0 0 0 0 0 0 0 GPRESSURE: 231300 0 0 0 0 0 0 0 0 0 PRESSAVG: 231300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231300 0 0 0 0 0 0 0 0 0 TIMING: 231300 CPU: 921.687, 0.00398418/step Wall: 921.687, 0.00398418/step, 0.297375 hours remaining, 109.511719 MB of memory in use. ENERGY: 231300 651.3422 1896.6648 2063.4553 110.8758 -14.9560 -1093.2032 159.7575 0.0000 2723.7410 6497.6774 300.8448 3773.9364 6532.7174 299.9023 PRESSURE: 231400 0 0 0 0 0 0 0 0 0 GPRESSURE: 231400 0 0 0 0 0 0 0 0 0 PRESSAVG: 231400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231400 0 0 0 0 0 0 0 0 0 TIMING: 231400 CPU: 922.085, 0.00397445/step Wall: 922.085, 0.00397445/step, 0.296538 hours remaining, 109.511719 MB of memory in use. ENERGY: 231400 626.9934 1973.3830 1999.5170 112.5512 -14.4885 -1071.9690 149.8599 0.0000 2691.7193 6467.5664 297.3079 3775.8471 6498.5816 299.3510 PRESSURE: 231500 0 0 0 0 0 0 0 0 0 GPRESSURE: 231500 0 0 0 0 0 0 0 0 0 PRESSAVG: 231500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231500 0 0 0 0 0 0 0 0 0 TIMING: 231500 CPU: 922.483, 0.00397695/step Wall: 922.483, 0.00397694/step, 0.296614 hours remaining, 109.511719 MB of memory in use. ENERGY: 231500 674.9968 1902.4817 2015.4201 108.8960 -15.0668 -1045.2738 160.8598 0.0000 2679.1097 6481.4235 295.9151 3802.3139 6511.9193 299.0835 PRESSURE: 231600 0 0 0 0 0 0 0 0 0 GPRESSURE: 231600 0 0 0 0 0 0 0 0 0 PRESSAVG: 231600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231600 0 0 0 0 0 0 0 0 0 TIMING: 231600 CPU: 922.881, 0.00398547/step Wall: 922.881, 0.00398548/step, 0.29714 hours remaining, 109.511719 MB of memory in use. ENERGY: 231600 642.1868 1945.2969 2019.4890 100.4453 -15.1516 -1076.9922 158.4382 0.0000 2722.2721 6495.9845 300.6825 3773.7124 6531.7918 300.7710 PRESSURE: 231700 0 0 0 0 0 0 0 0 0 GPRESSURE: 231700 0 0 0 0 0 0 0 0 0 PRESSAVG: 231700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231700 0 0 0 0 0 0 0 0 0 TIMING: 231700 CPU: 923.279, 0.00397549/step Wall: 923.279, 0.00397549/step, 0.296285 hours remaining, 109.511719 MB of memory in use. ENERGY: 231700 691.1677 1915.3385 2031.3439 95.8831 -14.9441 -1069.7394 148.0432 0.0000 2737.8526 6534.9454 302.4034 3797.0928 6571.6647 301.1414 PRESSURE: 231800 0 0 0 0 0 0 0 0 0 GPRESSURE: 231800 0 0 0 0 0 0 0 0 0 PRESSAVG: 231800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231800 0 0 0 0 0 0 0 0 0 TIMING: 231800 CPU: 923.677, 0.00398545/step Wall: 923.677, 0.00398545/step, 0.296916 hours remaining, 109.511719 MB of memory in use. ENERGY: 231800 688.7559 1924.5223 2009.7929 99.0102 -14.8049 -1024.9222 165.5344 0.0000 2694.0138 6541.9023 297.5613 3847.8885 6572.7730 301.1876 PRESSURE: 231900 0 0 0 0 0 0 0 0 0 GPRESSURE: 231900 0 0 0 0 0 0 0 0 0 PRESSAVG: 231900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 231900 0 0 0 0 0 0 0 0 0 TIMING: 231900 CPU: 924.075, 0.003975/step Wall: 924.075, 0.003975/step, 0.296027 hours remaining, 109.511719 MB of memory in use. ENERGY: 231900 673.8875 1868.7111 2007.7111 102.9861 -14.0624 -1035.3258 169.7732 0.0000 2764.9141 6538.5950 305.3925 3773.6809 6574.2271 303.3501 PRESSURE: 232000 0 0 0 0 0 0 0 0 0 GPRESSURE: 232000 0 0 0 0 0 0 0 0 0 PRESSAVG: 232000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232000 0 0 0 0 0 0 0 0 0 TIMING: 232000 CPU: 924.472, 0.00397398/step Wall: 924.472, 0.00397398/step, 0.295841 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 232000 654.7966 1860.1781 2014.0448 102.7195 -15.2368 -1009.3649 158.6193 0.0000 2722.3487 6488.1054 300.6910 3765.7567 6524.2953 300.8981 PRESSURE: 232100 0 0 0 0 0 0 0 0 0 GPRESSURE: 232100 0 0 0 0 0 0 0 0 0 PRESSAVG: 232100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232100 0 0 0 0 0 0 0 0 0 TIMING: 232100 CPU: 924.87, 0.00398117/step Wall: 924.87, 0.00398117/step, 0.296265 hours remaining, 109.511719 MB of memory in use. ENERGY: 232100 654.6330 1902.9230 2005.0594 114.5034 -14.6867 -1041.6929 158.3459 0.0000 2735.8945 6514.9796 302.1872 3779.0851 6546.8171 301.3179 PRESSURE: 232200 0 0 0 0 0 0 0 0 0 GPRESSURE: 232200 0 0 0 0 0 0 0 0 0 PRESSAVG: 232200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232200 0 0 0 0 0 0 0 0 0 TIMING: 232200 CPU: 925.268, 0.00397474/step Wall: 925.268, 0.00397474/step, 0.295677 hours remaining, 109.511719 MB of memory in use. ENERGY: 232200 629.3602 1862.2381 2017.8646 102.7129 -14.7776 -1023.2241 179.8029 0.0000 2766.3815 6520.3585 305.5545 3753.9770 6557.3769 301.8908 LDB: ============= START OF LOAD BALANCING ============== 928.044 LDB: ============== END OF LOAD BALANCING =============== 928.044 LDB: =============== DONE WITH MIGRATION ================ 928.044 PRESSURE: 232300 0 0 0 0 0 0 0 0 0 GPRESSURE: 232300 0 0 0 0 0 0 0 0 0 PRESSAVG: 232300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232300 0 0 0 0 0 0 0 0 0 TIMING: 232300 CPU: 925.666, 0.00398699/step Wall: 925.666, 0.00398699/step, 0.296477 hours remaining, 109.511719 MB of memory in use. ENERGY: 232300 673.6973 1863.4307 1995.2299 115.2016 -16.0808 -1052.2479 161.0305 0.0000 2774.5620 6514.8232 306.4581 3740.2612 6550.7066 301.3034 LDB: ============= START OF LOAD BALANCING ============== 928.442 LDB: ============== END OF LOAD BALANCING =============== 928.442 LDB: =============== DONE WITH MIGRATION ================ 928.442 PRESSURE: 232400 0 0 0 0 0 0 0 0 0 GPRESSURE: 232400 0 0 0 0 0 0 0 0 0 PRESSAVG: 232400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232400 0 0 0 0 0 0 0 0 0 TIMING: 232400 CPU: 926.065, 0.00398185/step Wall: 926.065, 0.00398185/step, 0.295984 hours remaining, 109.511719 MB of memory in use. ENERGY: 232400 673.1913 1934.8943 2014.1587 100.8596 -15.4772 -1059.1628 160.1649 0.0000 2728.0257 6536.6545 301.3180 3808.6288 6570.5468 301.6572 PRESSURE: 232500 0 0 0 0 0 0 0 0 0 GPRESSURE: 232500 0 0 0 0 0 0 0 0 0 PRESSAVG: 232500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232500 0 0 0 0 0 0 0 0 0 TIMING: 232500 CPU: 926.462, 0.00397579/step Wall: 926.462, 0.00397579/step, 0.295423 hours remaining, 109.511719 MB of memory in use. ENERGY: 232500 632.2292 1854.6562 2019.6729 111.6564 -15.2549 -1076.0562 159.0582 0.0000 2781.0218 6466.9836 307.1716 3685.9618 6502.4147 301.1854 PRESSURE: 232600 0 0 0 0 0 0 0 0 0 GPRESSURE: 232600 0 0 0 0 0 0 0 0 0 PRESSAVG: 232600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232600 0 0 0 0 0 0 0 0 0 TIMING: 232600 CPU: 926.861, 0.00398514/step Wall: 926.861, 0.00398514/step, 0.296007 hours remaining, 109.511719 MB of memory in use. ENERGY: 232600 661.7583 1840.5580 2055.8611 121.0830 -15.0698 -1084.9506 166.6368 0.0000 2753.5738 6499.4506 304.1399 3745.8768 6535.9538 300.6231 PRESSURE: 232700 0 0 0 0 0 0 0 0 0 GPRESSURE: 232700 0 0 0 0 0 0 0 0 0 PRESSAVG: 232700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232700 0 0 0 0 0 0 0 0 0 TIMING: 232700 CPU: 927.258, 0.00397475/step Wall: 927.258, 0.00397475/step, 0.295125 hours remaining, 109.511719 MB of memory in use. ENERGY: 232700 676.3066 1896.8261 2023.2682 92.0114 -14.9781 -1053.7802 162.7279 0.0000 2686.5754 6468.9573 296.7397 3782.3819 6501.6083 299.5157 PRESSURE: 232800 0 0 0 0 0 0 0 0 0 GPRESSURE: 232800 0 0 0 0 0 0 0 0 0 PRESSAVG: 232800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232800 0 0 0 0 0 0 0 0 0 TIMING: 232800 CPU: 927.657, 0.00398638/step Wall: 927.657, 0.00398638/step, 0.295878 hours remaining, 109.511719 MB of memory in use. ENERGY: 232800 615.0844 1867.2148 2021.6797 104.7641 -14.9889 -1061.2916 169.4569 0.0000 2732.7862 6434.7055 301.8439 3701.9193 6470.2926 298.5432 PRESSURE: 232900 0 0 0 0 0 0 0 0 0 GPRESSURE: 232900 0 0 0 0 0 0 0 0 0 PRESSAVG: 232900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 232900 0 0 0 0 0 0 0 0 0 TIMING: 232900 CPU: 928.054, 0.00397597/step Wall: 928.054, 0.00397597/step, 0.294995 hours remaining, 109.511719 MB of memory in use. ENERGY: 232900 654.0944 1892.6547 2011.4681 101.0771 -15.2955 -1035.4588 162.6445 0.0000 2714.9440 6486.1285 299.8731 3771.1846 6517.6245 298.2610 PRESSURE: 233000 0 0 0 0 0 0 0 0 0 GPRESSURE: 233000 0 0 0 0 0 0 0 0 0 PRESSAVG: 233000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233000 0 0 0 0 0 0 0 0 0 TIMING: 233000 CPU: 928.452, 0.00397395/step Wall: 928.452, 0.00397395/step, 0.294735 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 233000 650.4067 1925.7292 2013.0182 107.5792 -15.5652 -1063.5916 159.0654 0.0000 2667.3680 6444.0099 294.6182 3776.6419 6474.8665 299.1366 PRESSURE: 233100 0 0 0 0 0 0 0 0 0 GPRESSURE: 233100 0 0 0 0 0 0 0 0 0 PRESSAVG: 233100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233100 0 0 0 0 0 0 0 0 0 TIMING: 233100 CPU: 928.851, 0.00398795/step Wall: 928.851, 0.00398795/step, 0.295662 hours remaining, 109.511719 MB of memory in use. ENERGY: 233100 626.7644 1903.9338 2026.0417 99.3268 -14.0791 -1024.5092 156.1231 0.0000 2662.6236 6436.2251 294.0942 3773.6015 6468.5235 297.3497 PRESSURE: 233200 0 0 0 0 0 0 0 0 0 GPRESSURE: 233200 0 0 0 0 0 0 0 0 0 PRESSAVG: 233200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233200 0 0 0 0 0 0 0 0 0 TIMING: 233200 CPU: 929.248, 0.00397443/step Wall: 929.248, 0.00397443/step, 0.294549 hours remaining, 109.511719 MB of memory in use. ENERGY: 233200 674.8589 1913.3167 2034.5890 108.0606 -14.8050 -1044.1015 154.6284 0.0000 2651.8195 6478.3667 292.9008 3826.5472 6506.2405 298.5813 PRESSURE: 233300 0 0 0 0 0 0 0 0 0 GPRESSURE: 233300 0 0 0 0 0 0 0 0 0 PRESSAVG: 233300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233300 0 0 0 0 0 0 0 0 0 TIMING: 233300 CPU: 929.647, 0.00398707/step Wall: 929.647, 0.00398707/step, 0.295376 hours remaining, 109.511719 MB of memory in use. ENERGY: 233300 689.6939 1900.9949 2019.8886 103.0407 -13.2817 -1057.7684 159.6705 0.0000 2733.3529 6535.5913 301.9064 3802.2384 6572.2385 300.7418 PRESSURE: 233400 0 0 0 0 0 0 0 0 0 GPRESSURE: 233400 0 0 0 0 0 0 0 0 0 PRESSAVG: 233400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233400 0 0 0 0 0 0 0 0 0 TIMING: 233400 CPU: 930.044, 0.00397511/step Wall: 930.044, 0.00397511/step, 0.294379 hours remaining, 109.511719 MB of memory in use. ENERGY: 233400 670.5360 1894.8125 2004.5161 114.1983 -14.9599 -1072.4953 165.4489 0.0000 2743.7376 6505.7943 303.0535 3762.0566 6540.6304 302.4476 PRESSURE: 233500 0 0 0 0 0 0 0 0 0 GPRESSURE: 233500 0 0 0 0 0 0 0 0 0 PRESSAVG: 233500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233500 0 0 0 0 0 0 0 0 0 TIMING: 233500 CPU: 930.442, 0.00397397/step Wall: 930.442, 0.00397397/step, 0.294184 hours remaining, 109.511719 MB of memory in use. ENERGY: 233500 690.5071 1856.5145 2034.4647 93.8334 -15.0953 -1033.3655 148.7686 0.0000 2752.1786 6527.8060 303.9858 3775.6274 6560.3190 300.7728 PRESSURE: 233600 0 0 0 0 0 0 0 0 0 GPRESSURE: 233600 0 0 0 0 0 0 0 0 0 PRESSAVG: 233600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233600 0 0 0 0 0 0 0 0 0 TIMING: 233600 CPU: 930.84, 0.003986/step Wall: 930.84, 0.003986/step, 0.294964 hours remaining, 109.511719 MB of memory in use. ENERGY: 233600 647.4710 1880.1991 2020.4336 90.4481 -14.5205 -1038.9583 159.2364 0.0000 2761.7886 6506.0980 305.0472 3744.3094 6538.6692 301.3597 PRESSURE: 233700 0 0 0 0 0 0 0 0 0 GPRESSURE: 233700 0 0 0 0 0 0 0 0 0 PRESSAVG: 233700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233700 0 0 0 0 0 0 0 0 0 TIMING: 233700 CPU: 931.237, 0.00397233/step Wall: 931.237, 0.00397233/step, 0.293842 hours remaining, 109.511719 MB of memory in use. ENERGY: 233700 638.3669 1933.7844 2024.3114 103.1770 -14.6073 -1043.9789 158.5430 0.0000 2693.8979 6493.4945 297.5485 3799.5966 6526.4753 300.3981 PRESSURE: 233800 0 0 0 0 0 0 0 0 0 GPRESSURE: 233800 0 0 0 0 0 0 0 0 0 PRESSAVG: 233800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233800 0 0 0 0 0 0 0 0 0 TIMING: 233800 CPU: 931.636, 0.00398836/step Wall: 931.636, 0.00398836/step, 0.294917 hours remaining, 109.511719 MB of memory in use. ENERGY: 233800 655.1685 1857.3156 2046.3542 102.5274 -14.5119 -995.5708 161.7718 0.0000 2682.4732 6495.5279 296.2866 3813.0547 6529.2438 300.5194 PRESSURE: 233900 0 0 0 0 0 0 0 0 0 GPRESSURE: 233900 0 0 0 0 0 0 0 0 0 PRESSAVG: 233900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 233900 0 0 0 0 0 0 0 0 0 TIMING: 233900 CPU: 932.034, 0.00397268/step Wall: 932.034, 0.00397268/step, 0.293647 hours remaining, 109.511719 MB of memory in use. ENERGY: 233900 639.4579 1853.6476 2038.7645 107.8537 -14.5700 -1025.4959 164.9176 0.0000 2727.4775 6492.0530 301.2575 3764.5755 6524.9536 300.5500 PRESSURE: 234000 0 0 0 0 0 0 0 0 0 GPRESSURE: 234000 0 0 0 0 0 0 0 0 0 PRESSAVG: 234000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234000 0 0 0 0 0 0 0 0 0 TIMING: 234000 CPU: 932.431, 0.00397497/step Wall: 932.431, 0.00397497/step, 0.293706 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 234000 639.0483 1873.1597 2025.0941 109.6461 -15.2923 -990.2630 170.7441 0.0000 2724.5905 6536.7275 300.9386 3812.1370 6568.2144 302.0796 PRESSURE: 234100 0 0 0 0 0 0 0 0 0 GPRESSURE: 234100 0 0 0 0 0 0 0 0 0 PRESSAVG: 234100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234100 0 0 0 0 0 0 0 0 0 TIMING: 234100 CPU: 932.829, 0.00398145/step Wall: 932.829, 0.00398144/step, 0.294074 hours remaining, 109.511719 MB of memory in use. ENERGY: 234100 675.4473 1861.7052 2032.0315 108.9502 -15.0102 -1047.9312 176.7577 0.0000 2708.0332 6499.9838 299.1098 3791.9506 6531.6101 303.1031 PRESSURE: 234200 0 0 0 0 0 0 0 0 0 GPRESSURE: 234200 0 0 0 0 0 0 0 0 0 PRESSAVG: 234200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234200 0 0 0 0 0 0 0 0 0 TIMING: 234200 CPU: 933.227, 0.00397523/step Wall: 933.227, 0.00397524/step, 0.293505 hours remaining, 109.511719 MB of memory in use. ENERGY: 234200 631.5975 1899.5852 2011.8442 101.0276 -14.8248 -1014.9261 168.5921 0.0000 2710.8256 6493.7213 299.4182 3782.8958 6525.0104 300.1903 PRESSURE: 234300 0 0 0 0 0 0 0 0 0 GPRESSURE: 234300 0 0 0 0 0 0 0 0 0 PRESSAVG: 234300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234300 0 0 0 0 0 0 0 0 0 TIMING: 234300 CPU: 933.625, 0.00398594/step Wall: 933.625, 0.00398594/step, 0.294184 hours remaining, 109.511719 MB of memory in use. ENERGY: 234300 653.6123 1848.2883 2011.3454 118.0593 -15.1126 -1053.4335 174.8605 0.0000 2730.7538 6468.3735 301.6194 3737.6197 6502.4923 299.2687 PRESSURE: 234400 0 0 0 0 0 0 0 0 0 GPRESSURE: 234400 0 0 0 0 0 0 0 0 0 PRESSAVG: 234400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234400 0 0 0 0 0 0 0 0 0 TIMING: 234400 CPU: 934.023, 0.00397824/step Wall: 934.023, 0.00397824/step, 0.293506 hours remaining, 109.511719 MB of memory in use. ENERGY: 234400 662.1152 1848.7785 2032.1914 95.8372 -13.6234 -1051.7321 185.2122 0.0000 2709.1642 6467.9431 299.2347 3758.7789 6499.4362 299.3400 PRESSURE: 234500 0 0 0 0 0 0 0 0 0 GPRESSURE: 234500 0 0 0 0 0 0 0 0 0 PRESSAVG: 234500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234500 0 0 0 0 0 0 0 0 0 TIMING: 234500 CPU: 934.421, 0.0039747/step Wall: 934.421, 0.0039747/step, 0.293134 hours remaining, 109.511719 MB of memory in use. ENERGY: 234500 680.0457 1838.6717 2003.6527 106.2562 -14.6767 -1044.7833 186.1572 0.0000 2673.1170 6428.4405 295.2532 3755.3235 6461.1107 297.9820 PRESSURE: 234600 0 0 0 0 0 0 0 0 0 GPRESSURE: 234600 0 0 0 0 0 0 0 0 0 PRESSAVG: 234600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234600 0 0 0 0 0 0 0 0 0 TIMING: 234600 CPU: 934.819, 0.00398441/step Wall: 934.819, 0.00398441/step, 0.29374 hours remaining, 109.511719 MB of memory in use. ENERGY: 234600 644.0373 1867.7015 2018.0270 102.2470 -15.0580 -1051.0183 154.0301 0.0000 2736.3705 6456.3370 302.2397 3719.9665 6491.1658 296.8808 PRESSURE: 234700 0 0 0 0 0 0 0 0 0 GPRESSURE: 234700 0 0 0 0 0 0 0 0 0 PRESSAVG: 234700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234700 0 0 0 0 0 0 0 0 0 TIMING: 234700 CPU: 935.217, 0.00397715/step Wall: 935.217, 0.00397715/step, 0.293094 hours remaining, 109.511719 MB of memory in use. ENERGY: 234700 629.6783 1870.5477 2032.4256 106.9572 -13.9698 -1035.5527 170.3222 0.0000 2679.2041 6439.6127 295.9256 3760.4086 6472.9357 297.9592 PRESSURE: 234800 0 0 0 0 0 0 0 0 0 GPRESSURE: 234800 0 0 0 0 0 0 0 0 0 PRESSAVG: 234800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234800 0 0 0 0 0 0 0 0 0 TIMING: 234800 CPU: 935.614, 0.00397471/step Wall: 935.614, 0.00397471/step, 0.292804 hours remaining, 109.511719 MB of memory in use. ENERGY: 234800 603.3288 1856.6467 2035.2327 102.7507 -14.9943 -1012.9192 164.7626 0.0000 2726.7057 6461.5137 301.1722 3734.8080 6496.3699 298.4814 PRESSURE: 234900 0 0 0 0 0 0 0 0 0 GPRESSURE: 234900 0 0 0 0 0 0 0 0 0 PRESSAVG: 234900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 234900 0 0 0 0 0 0 0 0 0 TIMING: 234900 CPU: 936.013, 0.00398635/step Wall: 936.013, 0.00398634/step, 0.29355 hours remaining, 109.511719 MB of memory in use. ENERGY: 234900 611.5772 1873.6974 2017.3971 92.6762 -14.0831 -1037.1426 176.0710 0.0000 2770.9939 6491.1870 306.0640 3720.1931 6526.4304 297.9271 PRESSURE: 235000 0 0 0 0 0 0 0 0 0 GPRESSURE: 235000 0 0 0 0 0 0 0 0 0 PRESSAVG: 235000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235000 0 0 0 0 0 0 0 0 0 TIMING: 235000 CPU: 936.411, 0.00397701/step Wall: 936.411, 0.00397702/step, 0.292753 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 235000 659.3812 1854.5447 2019.4343 102.9113 -13.6578 -1050.2610 154.3240 0.0000 2796.5572 6523.2337 308.8875 3726.6765 6557.9429 302.0710 PRESSURE: 235100 0 0 0 0 0 0 0 0 0 GPRESSURE: 235100 0 0 0 0 0 0 0 0 0 PRESSAVG: 235100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235100 0 0 0 0 0 0 0 0 0 TIMING: 235100 CPU: 936.809, 0.00398604/step Wall: 936.809, 0.00398604/step, 0.293306 hours remaining, 109.511719 MB of memory in use. ENERGY: 235100 645.1499 1943.3451 2016.7128 99.4556 -13.1473 -1068.2088 172.6043 0.0000 2764.8209 6560.7326 305.3822 3795.9117 6595.0478 303.0364 PRESSURE: 235200 0 0 0 0 0 0 0 0 0 GPRESSURE: 235200 0 0 0 0 0 0 0 0 0 PRESSAVG: 235200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235200 0 0 0 0 0 0 0 0 0 TIMING: 235200 CPU: 937.207, 0.00397448/step Wall: 937.207, 0.00397448/step, 0.292345 hours remaining, 109.511719 MB of memory in use. ENERGY: 235200 649.4149 1944.0752 2005.8315 94.2205 -15.0711 -1031.9680 154.4545 0.0000 2762.8786 6563.8360 305.1676 3800.9574 6596.1006 303.6602 PRESSURE: 235300 0 0 0 0 0 0 0 0 0 GPRESSURE: 235300 0 0 0 0 0 0 0 0 0 PRESSAVG: 235300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235300 0 0 0 0 0 0 0 0 0 TIMING: 235300 CPU: 937.605, 0.00397925/step Wall: 937.605, 0.00397925/step, 0.292585 hours remaining, 109.511719 MB of memory in use. ENERGY: 235300 636.4588 1885.0623 2005.2780 103.8704 -14.7854 -1008.7920 166.9959 0.0000 2807.0168 6581.1047 310.0428 3774.0879 6616.4954 304.9544 PRESSURE: 235400 0 0 0 0 0 0 0 0 0 GPRESSURE: 235400 0 0 0 0 0 0 0 0 0 PRESSAVG: 235400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235400 0 0 0 0 0 0 0 0 0 TIMING: 235400 CPU: 938.003, 0.00398369/step Wall: 938.003, 0.00398369/step, 0.292801 hours remaining, 109.511719 MB of memory in use. ENERGY: 235400 680.2880 1942.4338 2000.9893 108.5020 -14.7637 -1056.2671 171.8782 0.0000 2738.7979 6571.8584 302.5079 3833.0605 6606.1824 304.4242 PRESSURE: 235500 0 0 0 0 0 0 0 0 0 GPRESSURE: 235500 0 0 0 0 0 0 0 0 0 PRESSAVG: 235500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235500 0 0 0 0 0 0 0 0 0 TIMING: 235500 CPU: 938.4, 0.00397527/step Wall: 938.4, 0.00397527/step, 0.292072 hours remaining, 109.511719 MB of memory in use. ENERGY: 235500 654.4724 1932.5466 2025.3631 99.8082 -14.8884 -980.7235 160.8469 0.0000 2669.3055 6546.7308 294.8322 3877.4254 6577.9463 303.6095 PRESSURE: 235600 0 0 0 0 0 0 0 0 0 GPRESSURE: 235600 0 0 0 0 0 0 0 0 0 PRESSAVG: 235600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235600 0 0 0 0 0 0 0 0 0 TIMING: 235600 CPU: 938.799, 0.00398679/step Wall: 938.799, 0.00398679/step, 0.292808 hours remaining, 109.511719 MB of memory in use. ENERGY: 235600 695.7429 1806.0692 2019.0794 101.4666 -14.3845 -1003.9754 165.1048 0.0000 2787.2317 6556.3346 307.8575 3769.1030 6588.3178 304.2617 PRESSURE: 235700 0 0 0 0 0 0 0 0 0 GPRESSURE: 235700 0 0 0 0 0 0 0 0 0 PRESSAVG: 235700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235700 0 0 0 0 0 0 0 0 0 TIMING: 235700 CPU: 939.197, 0.00397509/step Wall: 939.197, 0.00397509/step, 0.291838 hours remaining, 109.511719 MB of memory in use. ENERGY: 235700 653.7545 1947.5133 2021.5576 93.6717 -15.7339 -1066.8813 168.6329 0.0000 2751.7200 6554.2348 303.9351 3802.5148 6588.3872 305.1829 PRESSURE: 235800 0 0 0 0 0 0 0 0 0 GPRESSURE: 235800 0 0 0 0 0 0 0 0 0 PRESSAVG: 235800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235800 0 0 0 0 0 0 0 0 0 TIMING: 235800 CPU: 939.594, 0.00397607/step Wall: 939.594, 0.00397607/step, 0.291799 hours remaining, 109.511719 MB of memory in use. ENERGY: 235800 681.2253 1860.3268 1997.0142 109.9421 -15.1463 -1020.6865 160.6661 0.0000 2760.2120 6533.5537 304.8731 3773.3417 6566.9797 304.4773 PRESSURE: 235900 0 0 0 0 0 0 0 0 0 GPRESSURE: 235900 0 0 0 0 0 0 0 0 0 PRESSAVG: 235900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 235900 0 0 0 0 0 0 0 0 0 TIMING: 235900 CPU: 939.992, 0.00398285/step Wall: 939.992, 0.00398285/step, 0.292186 hours remaining, 109.511719 MB of memory in use. ENERGY: 235900 634.4329 1887.0104 2003.3736 106.1583 -15.4933 -1037.3253 168.6707 0.0000 2753.8690 6500.6962 304.1725 3746.8273 6533.2777 300.3247 PRESSURE: 236000 0 0 0 0 0 0 0 0 0 GPRESSURE: 236000 0 0 0 0 0 0 0 0 0 PRESSAVG: 236000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236000 0 0 0 0 0 0 0 0 0 TIMING: 236000 CPU: 940.39, 0.00397647/step Wall: 940.39, 0.00397647/step, 0.291608 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 236000 658.9902 1905.8255 2035.8951 110.8106 -14.8256 -1063.0512 151.2843 0.0000 2701.7710 6486.7000 298.4181 3784.9289 6519.0372 300.0419 PRESSURE: 236100 0 0 0 0 0 0 0 0 0 GPRESSURE: 236100 0 0 0 0 0 0 0 0 0 PRESSAVG: 236100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236100 0 0 0 0 0 0 0 0 0 TIMING: 236100 CPU: 940.789, 0.00398654/step Wall: 940.789, 0.00398654/step, 0.292236 hours remaining, 109.511719 MB of memory in use. ENERGY: 236100 645.0001 1894.0667 2038.9349 92.7980 -15.2724 -1062.5132 171.7451 0.0000 2718.4265 6483.1857 300.2578 3764.7592 6518.3001 300.3826 PRESSURE: 236200 0 0 0 0 0 0 0 0 0 GPRESSURE: 236200 0 0 0 0 0 0 0 0 0 PRESSAVG: 236200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236200 0 0 0 0 0 0 0 0 0 TIMING: 236200 CPU: 941.186, 0.00397485/step Wall: 941.186, 0.00397485/step, 0.291268 hours remaining, 109.511719 MB of memory in use. ENERGY: 236200 641.0374 1870.4031 2002.2028 104.6522 -15.7758 -1031.9285 162.4569 0.0000 2686.4106 6419.4588 296.7215 3733.0481 6449.6157 298.4084 LDB: ============= START OF LOAD BALANCING ============== 943.962 LDB: ============== END OF LOAD BALANCING =============== 943.962 LDB: =============== DONE WITH MIGRATION ================ 943.962 PRESSURE: 236300 0 0 0 0 0 0 0 0 0 GPRESSURE: 236300 0 0 0 0 0 0 0 0 0 PRESSAVG: 236300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236300 0 0 0 0 0 0 0 0 0 TIMING: 236300 CPU: 941.584, 0.00398002/step Wall: 941.584, 0.00398002/step, 0.291536 hours remaining, 109.511719 MB of memory in use. ENERGY: 236300 633.3091 1846.1957 2022.6188 99.0301 -14.0275 -1050.6495 160.2293 0.0000 2743.5121 6440.2182 303.0286 3696.7061 6474.9892 297.8302 LDB: ============= START OF LOAD BALANCING ============== 944.361 LDB: ============== END OF LOAD BALANCING =============== 944.361 LDB: =============== DONE WITH MIGRATION ================ 944.361 PRESSURE: 236400 0 0 0 0 0 0 0 0 0 GPRESSURE: 236400 0 0 0 0 0 0 0 0 0 PRESSAVG: 236400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236400 0 0 0 0 0 0 0 0 0 TIMING: 236400 CPU: 941.984, 0.00399342/step Wall: 941.984, 0.00399342/step, 0.292407 hours remaining, 109.511719 MB of memory in use. ENERGY: 236400 646.8465 1847.3930 2003.9618 106.7828 -15.5124 -997.8448 163.2156 0.0000 2691.6500 6446.4925 297.3002 3754.8425 6476.9773 297.9419 PRESSURE: 236500 0 0 0 0 0 0 0 0 0 GPRESSURE: 236500 0 0 0 0 0 0 0 0 0 PRESSAVG: 236500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236500 0 0 0 0 0 0 0 0 0 TIMING: 236500 CPU: 942.381, 0.00397363/step Wall: 942.381, 0.00397363/step, 0.290848 hours remaining, 109.511719 MB of memory in use. ENERGY: 236500 611.8135 1901.2118 1988.8494 101.4220 -14.8461 -1003.6346 159.9851 0.0000 2676.7316 6421.5327 295.6525 3744.8011 6455.7904 297.6390 PRESSURE: 236600 0 0 0 0 0 0 0 0 0 GPRESSURE: 236600 0 0 0 0 0 0 0 0 0 PRESSAVG: 236600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236600 0 0 0 0 0 0 0 0 0 TIMING: 236600 CPU: 942.779, 0.00398425/step Wall: 942.779, 0.00398424/step, 0.291514 hours remaining, 109.511719 MB of memory in use. ENERGY: 236600 661.4261 1899.1532 2021.2727 101.7621 -14.6855 -1053.4412 166.1495 0.0000 2654.8006 6436.4375 293.2301 3781.6369 6467.2494 296.5312 PRESSURE: 236700 0 0 0 0 0 0 0 0 0 GPRESSURE: 236700 0 0 0 0 0 0 0 0 0 PRESSAVG: 236700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236700 0 0 0 0 0 0 0 0 0 TIMING: 236700 CPU: 943.177, 0.00397505/step Wall: 943.177, 0.00397506/step, 0.290731 hours remaining, 109.511719 MB of memory in use. ENERGY: 236700 670.5566 1865.6253 2003.7121 104.9155 -16.5566 -1058.4534 149.4216 0.0000 2726.9673 6446.1882 301.2011 3719.2209 6477.9722 296.9720 PRESSURE: 236800 0 0 0 0 0 0 0 0 0 GPRESSURE: 236800 0 0 0 0 0 0 0 0 0 PRESSAVG: 236800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236800 0 0 0 0 0 0 0 0 0 TIMING: 236800 CPU: 943.575, 0.00397623/step Wall: 943.575, 0.00397623/step, 0.290706 hours remaining, 109.511719 MB of memory in use. ENERGY: 236800 642.5278 1819.4567 2018.1713 112.0746 -15.7516 -1009.6990 151.4454 0.0000 2690.2647 6408.4899 297.1472 3718.2252 6441.9069 297.4780 PRESSURE: 236900 0 0 0 0 0 0 0 0 0 GPRESSURE: 236900 0 0 0 0 0 0 0 0 0 PRESSAVG: 236900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 236900 0 0 0 0 0 0 0 0 0 TIMING: 236900 CPU: 943.973, 0.00398235/step Wall: 943.973, 0.00398235/step, 0.291043 hours remaining, 109.511719 MB of memory in use. ENERGY: 236900 654.6960 1856.6864 2011.3826 94.9780 -16.5784 -1041.5581 154.7389 0.0000 2659.2353 6373.5807 293.7199 3714.3455 6404.2780 296.2609 PRESSURE: 237000 0 0 0 0 0 0 0 0 0 GPRESSURE: 237000 0 0 0 0 0 0 0 0 0 PRESSAVG: 237000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237000 0 0 0 0 0 0 0 0 0 TIMING: 237000 CPU: 944.371, 0.00397823/step Wall: 944.371, 0.00397823/step, 0.290632 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 237000 646.5376 1843.8978 2015.4210 107.6341 -14.7558 -1067.1525 151.6247 0.0000 2672.7039 6355.9109 295.2076 3683.2069 6389.1298 293.6403 PRESSURE: 237100 0 0 0 0 0 0 0 0 0 GPRESSURE: 237100 0 0 0 0 0 0 0 0 0 PRESSAVG: 237100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237100 0 0 0 0 0 0 0 0 0 TIMING: 237100 CPU: 944.769, 0.0039884/step Wall: 944.769, 0.0039884/step, 0.291264 hours remaining, 109.511719 MB of memory in use. ENERGY: 237100 656.5561 1896.0192 1987.7702 104.8131 -15.4420 -1110.1585 154.8823 0.0000 2660.9763 6335.4167 293.9122 3674.4404 6366.5384 293.3952 PRESSURE: 237200 0 0 0 0 0 0 0 0 0 GPRESSURE: 237200 0 0 0 0 0 0 0 0 0 PRESSAVG: 237200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237200 0 0 0 0 0 0 0 0 0 TIMING: 237200 CPU: 945.167, 0.00397603/step Wall: 945.167, 0.00397603/step, 0.29025 hours remaining, 109.511719 MB of memory in use. ENERGY: 237200 629.4338 1854.4108 1995.2077 98.7532 -15.7776 -1046.0753 149.5181 0.0000 2667.2570 6332.7276 294.6060 3665.4706 6365.6534 292.5448 PRESSURE: 237300 0 0 0 0 0 0 0 0 0 GPRESSURE: 237300 0 0 0 0 0 0 0 0 0 PRESSAVG: 237300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237300 0 0 0 0 0 0 0 0 0 TIMING: 237300 CPU: 945.565, 0.00397622/step Wall: 945.565, 0.00397622/step, 0.290154 hours remaining, 109.511719 MB of memory in use. ENERGY: 237300 676.6060 1843.1116 1996.0297 99.4328 -15.0634 -1042.4468 168.3077 0.0000 2655.3000 6381.2777 293.2853 3725.9777 6414.4561 294.2313 PRESSURE: 237400 0 0 0 0 0 0 0 0 0 GPRESSURE: 237400 0 0 0 0 0 0 0 0 0 PRESSAVG: 237400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237400 0 0 0 0 0 0 0 0 0 TIMING: 237400 CPU: 945.963, 0.0039876/step Wall: 945.963, 0.0039876/step, 0.290873 hours remaining, 109.511719 MB of memory in use. ENERGY: 237400 638.7728 1827.9604 2033.2812 104.8201 -15.8182 -1067.1585 158.1686 0.0000 2682.3102 6362.3366 296.2686 3680.0264 6396.5554 294.6451 PRESSURE: 237500 0 0 0 0 0 0 0 0 0 GPRESSURE: 237500 0 0 0 0 0 0 0 0 0 PRESSAVG: 237500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237500 0 0 0 0 0 0 0 0 0 TIMING: 237500 CPU: 946.361, 0.00397506/step Wall: 946.361, 0.00397506/step, 0.289848 hours remaining, 109.511719 MB of memory in use. ENERGY: 237500 659.2588 1801.9995 2001.5272 104.2916 -14.7637 -1048.6341 150.4123 0.0000 2700.4558 6354.5474 298.2729 3654.0917 6388.4086 293.9965 PRESSURE: 237600 0 0 0 0 0 0 0 0 0 GPRESSURE: 237600 0 0 0 0 0 0 0 0 0 PRESSAVG: 237600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237600 0 0 0 0 0 0 0 0 0 TIMING: 237600 CPU: 946.76, 0.00398668/step Wall: 946.76, 0.00398668/step, 0.290585 hours remaining, 109.511719 MB of memory in use. ENERGY: 237600 631.0092 1884.2706 2005.4671 93.7769 -15.1846 -1038.8534 147.2220 0.0000 2641.1522 6348.8601 291.7226 3707.7079 6380.0475 294.1035 PRESSURE: 237700 0 0 0 0 0 0 0 0 0 GPRESSURE: 237700 0 0 0 0 0 0 0 0 0 PRESSAVG: 237700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237700 0 0 0 0 0 0 0 0 0 TIMING: 237700 CPU: 947.157, 0.00397371/step Wall: 947.157, 0.00397371/step, 0.289529 hours remaining, 109.511719 MB of memory in use. ENERGY: 237700 665.5542 1865.6107 2031.8505 100.8941 -14.5996 -1095.0128 166.7065 0.0000 2624.4277 6345.4314 289.8753 3721.0037 6375.2909 293.2260 PRESSURE: 237800 0 0 0 0 0 0 0 0 0 GPRESSURE: 237800 0 0 0 0 0 0 0 0 0 PRESSAVG: 237800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237800 0 0 0 0 0 0 0 0 0 TIMING: 237800 CPU: 947.554, 0.00397474/step Wall: 947.554, 0.00397474/step, 0.289493 hours remaining, 109.511719 MB of memory in use. ENERGY: 237800 656.7635 1883.1825 1985.1114 103.6790 -15.3922 -1071.7858 160.6553 0.0000 2678.5565 6380.7702 295.8540 3702.2137 6412.2212 293.2970 PRESSURE: 237900 0 0 0 0 0 0 0 0 0 GPRESSURE: 237900 0 0 0 0 0 0 0 0 0 PRESSAVG: 237900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 237900 0 0 0 0 0 0 0 0 0 TIMING: 237900 CPU: 947.953, 0.00398739/step Wall: 947.953, 0.00398739/step, 0.290304 hours remaining, 109.511719 MB of memory in use. ENERGY: 237900 692.1059 1856.8968 2029.0007 110.4388 -15.4877 -1083.8668 158.0654 0.0000 2686.7038 6433.8569 296.7539 3747.1531 6465.6961 296.3272 PRESSURE: 238000 0 0 0 0 0 0 0 0 0 GPRESSURE: 238000 0 0 0 0 0 0 0 0 0 PRESSAVG: 238000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238000 0 0 0 0 0 0 0 0 0 TIMING: 238000 CPU: 948.351, 0.00397578/step Wall: 948.351, 0.00397578/step, 0.289348 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 238000 661.0320 1892.6876 2035.1167 109.6293 -15.1699 -1044.6094 159.2566 0.0000 2705.3290 6503.2719 298.8111 3797.9429 6533.6142 299.9267 PRESSURE: 238100 0 0 0 0 0 0 0 0 0 GPRESSURE: 238100 0 0 0 0 0 0 0 0 0 PRESSAVG: 238100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238100 0 0 0 0 0 0 0 0 0 TIMING: 238100 CPU: 948.749, 0.00398685/step Wall: 948.749, 0.00398685/step, 0.290043 hours remaining, 109.511719 MB of memory in use. ENERGY: 238100 649.9158 1895.8000 2027.2178 104.5611 -15.0545 -1057.2927 159.6549 0.0000 2742.6939 6507.4963 302.9382 3764.8024 6542.5595 300.7163 PRESSURE: 238200 0 0 0 0 0 0 0 0 0 GPRESSURE: 238200 0 0 0 0 0 0 0 0 0 PRESSAVG: 238200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238200 0 0 0 0 0 0 0 0 0 TIMING: 238200 CPU: 949.147, 0.00397222/step Wall: 949.147, 0.00397222/step, 0.288869 hours remaining, 109.511719 MB of memory in use. ENERGY: 238200 667.7432 1872.4719 2034.3990 115.3549 -14.0316 -1032.4893 164.8342 0.0000 2703.3250 6511.6074 298.5898 3808.2823 6545.3865 300.9524 PRESSURE: 238300 0 0 0 0 0 0 0 0 0 GPRESSURE: 238300 0 0 0 0 0 0 0 0 0 PRESSAVG: 238300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238300 0 0 0 0 0 0 0 0 0 TIMING: 238300 CPU: 949.544, 0.00397619/step Wall: 949.544, 0.00397619/step, 0.289047 hours remaining, 109.511719 MB of memory in use. ENERGY: 238300 678.8352 1906.7905 2023.4771 106.1016 -14.4811 -1041.3787 152.2266 0.0000 2678.9631 6490.5344 295.8989 3811.5713 6519.1697 301.6136 PRESSURE: 238400 0 0 0 0 0 0 0 0 0 GPRESSURE: 238400 0 0 0 0 0 0 0 0 0 PRESSAVG: 238400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238400 0 0 0 0 0 0 0 0 0 TIMING: 238400 CPU: 949.943, 0.00398849/step Wall: 949.943, 0.00398849/step, 0.28983 hours remaining, 109.511719 MB of memory in use. ENERGY: 238400 637.5243 1879.3409 2034.7778 99.7984 -15.6252 -1020.6048 144.2854 0.0000 2758.5749 6518.0718 304.6923 3759.4968 6552.8604 302.3832 PRESSURE: 238500 0 0 0 0 0 0 0 0 0 GPRESSURE: 238500 0 0 0 0 0 0 0 0 0 PRESSAVG: 238500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238500 0 0 0 0 0 0 0 0 0 TIMING: 238500 CPU: 950.34, 0.00397342/step Wall: 950.34, 0.00397342/step, 0.288625 hours remaining, 109.511719 MB of memory in use. ENERGY: 238500 681.6754 1883.1106 2011.5672 95.8252 -15.0831 -1037.3654 148.1569 0.0000 2752.7608 6520.6477 304.0501 3767.8869 6554.7248 302.2497 PRESSURE: 238600 0 0 0 0 0 0 0 0 0 GPRESSURE: 238600 0 0 0 0 0 0 0 0 0 PRESSAVG: 238600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238600 0 0 0 0 0 0 0 0 0 TIMING: 238600 CPU: 950.74, 0.00399803/step Wall: 950.74, 0.00399803/step, 0.290301 hours remaining, 109.511719 MB of memory in use. ENERGY: 238600 645.2132 1916.2437 2015.8723 108.2044 -14.0957 -1045.2445 175.4939 0.0000 2728.9821 6530.6694 301.4237 3801.6873 6562.9375 302.7125 PRESSURE: 238700 0 0 0 0 0 0 0 0 0 GPRESSURE: 238700 0 0 0 0 0 0 0 0 0 PRESSAVG: 238700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238700 0 0 0 0 0 0 0 0 0 TIMING: 238700 CPU: 951.138, 0.00397302/step Wall: 951.138, 0.00397302/step, 0.288375 hours remaining, 109.511719 MB of memory in use. ENERGY: 238700 697.7208 1825.2807 2017.4091 109.7960 -14.2851 -1033.4092 168.1578 0.0000 2705.5581 6476.2281 298.8364 3770.6700 6508.4089 300.3778 PRESSURE: 238800 0 0 0 0 0 0 0 0 0 GPRESSURE: 238800 0 0 0 0 0 0 0 0 0 PRESSAVG: 238800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238800 0 0 0 0 0 0 0 0 0 TIMING: 238800 CPU: 951.535, 0.00397765/step Wall: 951.535, 0.00397765/step, 0.288601 hours remaining, 109.511719 MB of memory in use. ENERGY: 238800 651.1867 1845.5004 2021.4479 107.5757 -14.6442 -1031.0283 156.4537 0.0000 2727.9622 6464.4540 301.3110 3736.4919 6499.0990 299.6026 PRESSURE: 238900 0 0 0 0 0 0 0 0 0 GPRESSURE: 238900 0 0 0 0 0 0 0 0 0 PRESSAVG: 238900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 238900 0 0 0 0 0 0 0 0 0 TIMING: 238900 CPU: 951.934, 0.00398512/step Wall: 951.934, 0.00398512/step, 0.289032 hours remaining, 109.511719 MB of memory in use. ENERGY: 238900 666.7345 1888.1558 2036.2470 108.6012 -14.8024 -1065.0429 165.8111 0.0000 2676.7552 6462.4596 295.6551 3785.7043 6494.4565 299.4749 PRESSURE: 239000 0 0 0 0 0 0 0 0 0 GPRESSURE: 239000 0 0 0 0 0 0 0 0 0 PRESSAVG: 239000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239000 0 0 0 0 0 0 0 0 0 TIMING: 239000 CPU: 952.331, 0.00397471/step Wall: 952.331, 0.00397471/step, 0.288167 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 239000 660.3951 1902.6437 2011.7019 109.8175 -14.8445 -1104.1201 166.6677 0.0000 2698.4830 6430.7444 298.0550 3732.2614 6463.6479 298.0922 PRESSURE: 239100 0 0 0 0 0 0 0 0 0 GPRESSURE: 239100 0 0 0 0 0 0 0 0 0 PRESSAVG: 239100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239100 0 0 0 0 0 0 0 0 0 TIMING: 239100 CPU: 952.73, 0.003986/step Wall: 952.73, 0.003986/step, 0.288874 hours remaining, 109.511719 MB of memory in use. ENERGY: 239100 643.6657 1916.0286 2035.5064 103.1245 -14.5977 -1042.2055 136.1734 0.0000 2696.3089 6474.0043 297.8148 3777.6954 6507.5702 298.1468 PRESSURE: 239200 0 0 0 0 0 0 0 0 0 GPRESSURE: 239200 0 0 0 0 0 0 0 0 0 PRESSAVG: 239200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239200 0 0 0 0 0 0 0 0 0 TIMING: 239200 CPU: 953.127, 0.00397491/step Wall: 953.127, 0.0039749/step, 0.287959 hours remaining, 109.511719 MB of memory in use. ENERGY: 239200 640.0739 1899.7283 2019.9281 104.3866 -14.5602 -1049.3303 156.3850 0.0000 2709.7033 6466.3146 299.2943 3756.6113 6499.7969 299.0528 PRESSURE: 239300 0 0 0 0 0 0 0 0 0 GPRESSURE: 239300 0 0 0 0 0 0 0 0 0 PRESSAVG: 239300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239300 0 0 0 0 0 0 0 0 0 TIMING: 239300 CPU: 953.525, 0.00397769/step Wall: 953.525, 0.00397769/step, 0.288051 hours remaining, 109.511719 MB of memory in use. ENERGY: 239300 704.8632 1893.0719 2011.6168 97.1864 -14.3638 -1047.9384 161.9145 0.0000 2667.6350 6473.9856 294.6477 3806.3506 6508.1826 299.6384 PRESSURE: 239400 0 0 0 0 0 0 0 0 0 GPRESSURE: 239400 0 0 0 0 0 0 0 0 0 PRESSAVG: 239400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239400 0 0 0 0 0 0 0 0 0 TIMING: 239400 CPU: 953.924, 0.00398743/step Wall: 953.924, 0.00398744/step, 0.288646 hours remaining, 109.511719 MB of memory in use. ENERGY: 239400 657.6242 1850.7114 2022.5283 102.6275 -14.3656 -1051.6836 157.4425 0.0000 2715.4988 6440.3835 299.9344 3724.8847 6473.1209 298.3258 PRESSURE: 239500 0 0 0 0 0 0 0 0 0 GPRESSURE: 239500 0 0 0 0 0 0 0 0 0 PRESSAVG: 239500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239500 0 0 0 0 0 0 0 0 0 TIMING: 239500 CPU: 954.321, 0.0039749/step Wall: 954.321, 0.0039749/step, 0.287628 hours remaining, 109.511719 MB of memory in use. ENERGY: 239500 625.7523 1911.0835 2042.2510 103.7646 -14.9307 -1023.8003 150.8623 0.0000 2639.6504 6434.6332 291.5567 3794.9827 6461.3972 297.3274 PRESSURE: 239600 0 0 0 0 0 0 0 0 0 GPRESSURE: 239600 0 0 0 0 0 0 0 0 0 PRESSAVG: 239600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239600 0 0 0 0 0 0 0 0 0 TIMING: 239600 CPU: 954.72, 0.00398601/step Wall: 954.72, 0.00398601/step, 0.288321 hours remaining, 109.511719 MB of memory in use. ENERGY: 239600 665.4094 1868.6430 2028.7679 107.0198 -15.3379 -1057.4451 177.9186 0.0000 2651.3547 6426.3304 292.8495 3774.9757 6461.0519 296.8985 PRESSURE: 239700 0 0 0 0 0 0 0 0 0 GPRESSURE: 239700 0 0 0 0 0 0 0 0 0 PRESSAVG: 239700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239700 0 0 0 0 0 0 0 0 0 TIMING: 239700 CPU: 955.117, 0.00397393/step Wall: 955.117, 0.00397393/step, 0.287337 hours remaining, 109.511719 MB of memory in use. ENERGY: 239700 640.0533 1847.4263 2052.6757 103.1255 -14.8478 -1029.9499 147.8386 0.0000 2684.7565 6431.0782 296.5388 3746.3217 6465.6568 297.2913 PRESSURE: 239800 0 0 0 0 0 0 0 0 0 GPRESSURE: 239800 0 0 0 0 0 0 0 0 0 PRESSAVG: 239800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239800 0 0 0 0 0 0 0 0 0 TIMING: 239800 CPU: 955.515, 0.00397399/step Wall: 955.515, 0.00397399/step, 0.287231 hours remaining, 109.511719 MB of memory in use. ENERGY: 239800 645.4645 1871.5865 2009.9462 110.0723 -15.7662 -1043.4831 160.3749 0.0000 2683.7049 6421.9001 296.4227 3738.1952 6454.1401 297.2240 PRESSURE: 239900 0 0 0 0 0 0 0 0 0 GPRESSURE: 239900 0 0 0 0 0 0 0 0 0 PRESSAVG: 239900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 239900 0 0 0 0 0 0 0 0 0 TIMING: 239900 CPU: 955.913, 0.00398487/step Wall: 955.913, 0.00398487/step, 0.287907 hours remaining, 109.511719 MB of memory in use. ENERGY: 239900 675.0819 1929.2538 2026.0983 101.9023 -15.8845 -1083.3800 159.5891 0.0000 2686.3668 6479.0278 296.7167 3792.6609 6510.5789 298.8286 PRESSURE: 240000 0 0 0 0 0 0 0 0 0 GPRESSURE: 240000 0 0 0 0 0 0 0 0 0 PRESSAVG: 240000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240000 0 0 0 0 0 0 0 0 0 TIMING: 240000 CPU: 956.311, 0.00397853/step Wall: 956.311, 0.00397853/step, 0.287338 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 240000 675.2315 1898.1106 2019.5043 96.3752 -14.1880 -1051.9667 169.8040 0.0000 2708.5730 6501.4439 299.1694 3792.8709 6534.0338 300.0437 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 240000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 240000 WRITING COORDINATES TO RESTART FILE AT STEP 240000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 240000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 240100 0 0 0 0 0 0 0 0 0 GPRESSURE: 240100 0 0 0 0 0 0 0 0 0 PRESSAVG: 240100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240100 0 0 0 0 0 0 0 0 0 TIMING: 240100 CPU: 956.743, 0.00431883/step Wall: 956.743, 0.00431883/step, 0.311795 hours remaining, 109.511719 MB of memory in use. ENERGY: 240100 670.2420 1877.2458 2016.8082 98.3211 -13.3018 -1024.3392 152.5042 0.0000 2773.6197 6551.1000 306.3540 3777.4804 6587.0876 301.9901 PRESSURE: 240200 0 0 0 0 0 0 0 0 0 GPRESSURE: 240200 0 0 0 0 0 0 0 0 0 PRESSAVG: 240200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240200 0 0 0 0 0 0 0 0 0 TIMING: 240200 CPU: 957.14, 0.00397236/step Wall: 957.14, 0.00397236/step, 0.286672 hours remaining, 109.511719 MB of memory in use. ENERGY: 240200 663.2732 1807.8860 2048.2745 97.7610 -14.9871 -1067.6607 161.1751 0.0000 2843.5516 6539.2737 314.0782 3695.7220 6577.0700 302.6786 LDB: ============= START OF LOAD BALANCING ============== 959.915 LDB: ============== END OF LOAD BALANCING =============== 959.915 LDB: =============== DONE WITH MIGRATION ================ 959.915 PRESSURE: 240300 0 0 0 0 0 0 0 0 0 GPRESSURE: 240300 0 0 0 0 0 0 0 0 0 PRESSAVG: 240300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240300 0 0 0 0 0 0 0 0 0 TIMING: 240300 CPU: 957.538, 0.00397535/step Wall: 957.538, 0.00397535/step, 0.286777 hours remaining, 109.511719 MB of memory in use. ENERGY: 240300 674.2361 1983.2324 2040.1619 108.9469 -14.9934 -1082.2333 174.2900 0.0000 2700.4316 6584.0722 298.2702 3883.6406 6616.4091 303.1854 LDB: ============= START OF LOAD BALANCING ============== 960.315 LDB: ============== END OF LOAD BALANCING =============== 960.315 LDB: =============== DONE WITH MIGRATION ================ 960.315 PRESSURE: 240400 0 0 0 0 0 0 0 0 0 GPRESSURE: 240400 0 0 0 0 0 0 0 0 0 PRESSAVG: 240400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240400 0 0 0 0 0 0 0 0 0 TIMING: 240400 CPU: 957.937, 0.00399351/step Wall: 957.937, 0.00399351/step, 0.287977 hours remaining, 109.511719 MB of memory in use. ENERGY: 240400 654.0775 1897.6278 2040.7763 108.7299 -15.3290 -1031.0775 159.8820 0.0000 2768.6694 6583.3564 305.8073 3814.6870 6616.5934 305.4320 PRESSURE: 240500 0 0 0 0 0 0 0 0 0 GPRESSURE: 240500 0 0 0 0 0 0 0 0 0 PRESSAVG: 240500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240500 0 0 0 0 0 0 0 0 0 TIMING: 240500 CPU: 958.335, 0.00397507/step Wall: 958.335, 0.00397507/step, 0.286536 hours remaining, 109.511719 MB of memory in use. ENERGY: 240500 658.0231 1896.9729 2023.3820 113.7846 -14.0047 -1012.0045 179.3521 0.0000 2720.2017 6565.7072 300.4538 3845.5056 6597.0940 306.1678 PRESSURE: 240600 0 0 0 0 0 0 0 0 0 GPRESSURE: 240600 0 0 0 0 0 0 0 0 0 PRESSAVG: 240600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240600 0 0 0 0 0 0 0 0 0 TIMING: 240600 CPU: 958.733, 0.00398218/step Wall: 958.733, 0.00398218/step, 0.286938 hours remaining, 109.511719 MB of memory in use. ENERGY: 240600 639.7866 1886.1500 2036.9169 94.2283 -14.6840 -1048.6177 163.8838 0.0000 2756.6269 6514.2910 304.4771 3757.6641 6545.7764 301.8478 PRESSURE: 240700 0 0 0 0 0 0 0 0 0 GPRESSURE: 240700 0 0 0 0 0 0 0 0 0 PRESSAVG: 240700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240700 0 0 0 0 0 0 0 0 0 TIMING: 240700 CPU: 959.13, 0.00397336/step Wall: 959.13, 0.00397336/step, 0.286192 hours remaining, 109.511719 MB of memory in use. ENERGY: 240700 650.7175 1939.2760 2031.0611 101.3881 -14.5340 -1044.1548 179.9338 0.0000 2716.8682 6560.5558 300.0857 3843.6877 6591.6402 303.6758 PRESSURE: 240800 0 0 0 0 0 0 0 0 0 GPRESSURE: 240800 0 0 0 0 0 0 0 0 0 PRESSAVG: 240800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240800 0 0 0 0 0 0 0 0 0 TIMING: 240800 CPU: 959.528, 0.00397705/step Wall: 959.528, 0.00397705/step, 0.286347 hours remaining, 109.511719 MB of memory in use. ENERGY: 240800 672.7046 1901.6582 2025.2553 107.3433 -15.7344 -1058.0766 165.5861 0.0000 2764.0579 6562.7944 305.2979 3798.7365 6599.4539 303.4257 PRESSURE: 240900 0 0 0 0 0 0 0 0 0 GPRESSURE: 240900 0 0 0 0 0 0 0 0 0 PRESSAVG: 240900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 240900 0 0 0 0 0 0 0 0 0 TIMING: 240900 CPU: 959.927, 0.00398625/step Wall: 959.927, 0.00398625/step, 0.286899 hours remaining, 109.511719 MB of memory in use. ENERGY: 240900 642.1888 1939.6574 2026.1287 100.0846 -15.5877 -1024.7032 163.1936 0.0000 2739.0032 6569.9654 302.5305 3830.9622 6604.6835 303.4186 PRESSURE: 241000 0 0 0 0 0 0 0 0 0 GPRESSURE: 241000 0 0 0 0 0 0 0 0 0 PRESSAVG: 241000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241000 0 0 0 0 0 0 0 0 0 TIMING: 241000 CPU: 960.324, 0.00397724/step Wall: 960.324, 0.00397724/step, 0.28614 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 241000 618.4130 1942.4073 1993.8863 103.4398 -16.5826 -1050.8106 161.8447 0.0000 2785.9860 6538.5840 307.7199 3752.5980 6572.2175 302.3745 PRESSURE: 241100 0 0 0 0 0 0 0 0 0 GPRESSURE: 241100 0 0 0 0 0 0 0 0 0 PRESSAVG: 241100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241100 0 0 0 0 0 0 0 0 0 TIMING: 241100 CPU: 960.723, 0.00398448/step Wall: 960.723, 0.00398447/step, 0.28655 hours remaining, 109.511719 MB of memory in use. ENERGY: 241100 660.6811 1959.8352 2025.9617 98.7699 -16.4627 -1073.9372 161.3590 0.0000 2748.0304 6564.2374 303.5276 3816.2069 6596.7196 303.6145 PRESSURE: 241200 0 0 0 0 0 0 0 0 0 GPRESSURE: 241200 0 0 0 0 0 0 0 0 0 PRESSAVG: 241200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241200 0 0 0 0 0 0 0 0 0 TIMING: 241200 CPU: 961.12, 0.00397352/step Wall: 961.12, 0.00397353/step, 0.285653 hours remaining, 109.511719 MB of memory in use. ENERGY: 241200 661.1283 1901.5078 2031.7702 110.9686 -14.5001 -1034.9720 172.6360 0.0000 2713.6448 6542.1838 299.7296 3828.5389 6574.7418 303.8060 PRESSURE: 241300 0 0 0 0 0 0 0 0 0 GPRESSURE: 241300 0 0 0 0 0 0 0 0 0 PRESSAVG: 241300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241300 0 0 0 0 0 0 0 0 0 TIMING: 241300 CPU: 961.518, 0.00397646/step Wall: 961.518, 0.00397646/step, 0.285753 hours remaining, 109.511719 MB of memory in use. ENERGY: 241300 708.5900 1882.5106 2025.5203 96.2615 -15.2131 -1057.7991 175.9849 0.0000 2696.4651 6512.3202 297.8321 3815.8551 6544.7593 302.1132 PRESSURE: 241400 0 0 0 0 0 0 0 0 0 GPRESSURE: 241400 0 0 0 0 0 0 0 0 0 PRESSAVG: 241400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241400 0 0 0 0 0 0 0 0 0 TIMING: 241400 CPU: 961.916, 0.00398613/step Wall: 961.916, 0.00398613/step, 0.286337 hours remaining, 109.511719 MB of memory in use. ENERGY: 241400 673.3119 1904.6074 2012.6641 100.0581 -14.3849 -1072.8410 178.8212 0.0000 2762.0121 6544.2490 305.0719 3782.2369 6578.5887 302.6627 PRESSURE: 241500 0 0 0 0 0 0 0 0 0 GPRESSURE: 241500 0 0 0 0 0 0 0 0 0 PRESSAVG: 241500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241500 0 0 0 0 0 0 0 0 0 TIMING: 241500 CPU: 962.314, 0.00397647/step Wall: 962.314, 0.00397647/step, 0.285533 hours remaining, 109.511719 MB of memory in use. ENERGY: 241500 675.2953 1881.2669 2036.1482 115.3921 -14.0166 -1065.1793 151.7280 0.0000 2710.7304 6491.3649 299.4077 3780.6345 6525.3778 301.3850 PRESSURE: 241600 0 0 0 0 0 0 0 0 0 GPRESSURE: 241600 0 0 0 0 0 0 0 0 0 PRESSAVG: 241600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241600 0 0 0 0 0 0 0 0 0 TIMING: 241600 CPU: 962.712, 0.00398379/step Wall: 962.712, 0.00398379/step, 0.285947 hours remaining, 109.511719 MB of memory in use. ENERGY: 241600 675.1301 1849.1751 2032.4648 106.1825 -14.9017 -1080.3245 167.0788 0.0000 2751.9543 6486.7595 303.9610 3734.8052 6519.9045 300.7853 PRESSURE: 241700 0 0 0 0 0 0 0 0 0 GPRESSURE: 241700 0 0 0 0 0 0 0 0 0 PRESSAVG: 241700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241700 0 0 0 0 0 0 0 0 0 TIMING: 241700 CPU: 963.11, 0.00397196/step Wall: 963.11, 0.00397196/step, 0.284988 hours remaining, 109.511719 MB of memory in use. ENERGY: 241700 669.4376 1871.8608 2030.8341 110.8295 -14.4871 -1062.4757 163.5234 0.0000 2704.8795 6474.4022 298.7615 3769.5227 6508.3318 300.3493 PRESSURE: 241800 0 0 0 0 0 0 0 0 0 GPRESSURE: 241800 0 0 0 0 0 0 0 0 0 PRESSAVG: 241800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241800 0 0 0 0 0 0 0 0 0 TIMING: 241800 CPU: 963.507, 0.00397479/step Wall: 963.507, 0.00397479/step, 0.285081 hours remaining, 109.511719 MB of memory in use. ENERGY: 241800 650.7525 1893.1015 2010.7251 103.8685 -14.8879 -1050.8145 157.9561 0.0000 2740.4093 6491.1107 302.6858 3750.7014 6523.7608 300.6799 PRESSURE: 241900 0 0 0 0 0 0 0 0 0 GPRESSURE: 241900 0 0 0 0 0 0 0 0 0 PRESSAVG: 241900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 241900 0 0 0 0 0 0 0 0 0 TIMING: 241900 CPU: 963.905, 0.0039838/step Wall: 963.905, 0.0039838/step, 0.285616 hours remaining, 109.511719 MB of memory in use. ENERGY: 241900 637.1956 1918.4268 2047.8532 113.0718 -15.3476 -1061.7980 165.8816 0.0000 2691.1957 6496.4789 297.2501 3805.2832 6530.0627 300.5894 PRESSURE: 242000 0 0 0 0 0 0 0 0 0 GPRESSURE: 242000 0 0 0 0 0 0 0 0 0 PRESSAVG: 242000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242000 0 0 0 0 0 0 0 0 0 TIMING: 242000 CPU: 964.303, 0.00397397/step Wall: 964.303, 0.00397397/step, 0.284801 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 242000 650.7290 1908.8849 2000.3958 87.5581 -14.0788 -1055.0891 171.8585 0.0000 2708.5361 6458.7945 299.1654 3750.2584 6494.3503 298.7520 PRESSURE: 242100 0 0 0 0 0 0 0 0 0 GPRESSURE: 242100 0 0 0 0 0 0 0 0 0 PRESSAVG: 242100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242100 0 0 0 0 0 0 0 0 0 TIMING: 242100 CPU: 964.701, 0.00398278/step Wall: 964.701, 0.00398278/step, 0.285322 hours remaining, 109.511719 MB of memory in use. ENERGY: 242100 649.7657 1894.6972 2025.6342 115.3999 -14.7567 -1064.7926 159.8251 0.0000 2690.3829 6456.1557 297.1603 3765.7728 6489.3219 298.9080 PRESSURE: 242200 0 0 0 0 0 0 0 0 0 GPRESSURE: 242200 0 0 0 0 0 0 0 0 0 PRESSAVG: 242200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242200 0 0 0 0 0 0 0 0 0 TIMING: 242200 CPU: 965.099, 0.00397463/step Wall: 965.099, 0.00397463/step, 0.284628 hours remaining, 109.511719 MB of memory in use. ENERGY: 242200 643.4707 1895.5766 2028.9703 106.2359 -14.0160 -1025.3755 164.7993 0.0000 2655.2255 6454.8867 293.2771 3799.6612 6484.4478 298.3913 PRESSURE: 242300 0 0 0 0 0 0 0 0 0 GPRESSURE: 242300 0 0 0 0 0 0 0 0 0 PRESSAVG: 242300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242300 0 0 0 0 0 0 0 0 0 TIMING: 242300 CPU: 965.496, 0.00397615/step Wall: 965.496, 0.00397615/step, 0.284626 hours remaining, 109.511719 MB of memory in use. ENERGY: 242300 677.0443 1914.4735 1990.8411 97.0506 -15.2231 -1054.4989 156.2389 0.0000 2683.3103 6449.2367 296.3791 3765.9264 6479.9375 297.4476 PRESSURE: 242400 0 0 0 0 0 0 0 0 0 GPRESSURE: 242400 0 0 0 0 0 0 0 0 0 PRESSAVG: 242400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242400 0 0 0 0 0 0 0 0 0 TIMING: 242400 CPU: 965.895, 0.00398481/step Wall: 965.895, 0.00398481/step, 0.285135 hours remaining, 109.511719 MB of memory in use. ENERGY: 242400 637.2630 1927.3365 1990.0204 100.7869 -15.7828 -1050.3540 178.9237 0.0000 2665.7833 6433.9770 294.4432 3768.1936 6465.6537 296.6867 PRESSURE: 242500 0 0 0 0 0 0 0 0 0 GPRESSURE: 242500 0 0 0 0 0 0 0 0 0 PRESSAVG: 242500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242500 0 0 0 0 0 0 0 0 0 TIMING: 242500 CPU: 966.292, 0.00397467/step Wall: 966.292, 0.00397467/step, 0.284299 hours remaining, 109.511719 MB of memory in use. ENERGY: 242500 627.3722 1860.6580 2018.5813 95.4021 -14.9563 -1052.5834 146.1083 0.0000 2736.0056 6416.5878 302.1994 3680.5822 6450.7771 296.3079 PRESSURE: 242600 0 0 0 0 0 0 0 0 0 GPRESSURE: 242600 0 0 0 0 0 0 0 0 0 PRESSAVG: 242600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242600 0 0 0 0 0 0 0 0 0 TIMING: 242600 CPU: 966.69, 0.00398208/step Wall: 966.69, 0.00398208/step, 0.284719 hours remaining, 109.511719 MB of memory in use. ENERGY: 242600 658.7529 1871.2713 2041.6093 96.1003 -14.6041 -1055.4038 166.3382 0.0000 2678.7068 6442.7711 295.8706 3764.0642 6474.1517 297.1541 PRESSURE: 242700 0 0 0 0 0 0 0 0 0 GPRESSURE: 242700 0 0 0 0 0 0 0 0 0 PRESSAVG: 242700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242700 0 0 0 0 0 0 0 0 0 TIMING: 242700 CPU: 967.088, 0.00397517/step Wall: 967.088, 0.00397517/step, 0.284114 hours remaining, 109.511719 MB of memory in use. ENERGY: 242700 635.4252 1845.4874 2025.1516 112.4623 -14.3742 -1052.9720 157.6539 0.0000 2717.2592 6426.0935 300.1288 3708.8343 6459.2902 297.4781 PRESSURE: 242800 0 0 0 0 0 0 0 0 0 GPRESSURE: 242800 0 0 0 0 0 0 0 0 0 PRESSAVG: 242800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242800 0 0 0 0 0 0 0 0 0 TIMING: 242800 CPU: 967.486, 0.00397968/step Wall: 967.486, 0.00397968/step, 0.284326 hours remaining, 109.511719 MB of memory in use. ENERGY: 242800 661.3777 1874.4568 2013.3719 106.5051 -15.3401 -1062.1660 140.1874 0.0000 2720.8505 6439.2433 300.5255 3718.3927 6475.5306 296.9340 PRESSURE: 242900 0 0 0 0 0 0 0 0 0 GPRESSURE: 242900 0 0 0 0 0 0 0 0 0 PRESSAVG: 242900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 242900 0 0 0 0 0 0 0 0 0 TIMING: 242900 CPU: 967.884, 0.00398501/step Wall: 967.884, 0.00398501/step, 0.284596 hours remaining, 109.511719 MB of memory in use. ENERGY: 242900 666.1130 1891.9124 2021.5228 99.5072 -14.4618 -1097.3451 155.5344 0.0000 2694.3936 6417.1764 297.6033 3722.7827 6452.1101 295.6965 PRESSURE: 243000 0 0 0 0 0 0 0 0 0 GPRESSURE: 243000 0 0 0 0 0 0 0 0 0 PRESSAVG: 243000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243000 0 0 0 0 0 0 0 0 0 TIMING: 243000 CPU: 968.282, 0.00397646/step Wall: 968.282, 0.00397646/step, 0.283875 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 243000 654.6697 1849.2935 2010.4242 112.8355 -13.3224 -1025.1577 162.9187 0.0000 2652.6356 6404.2971 292.9910 3751.6615 6438.8302 295.5029 PRESSURE: 243100 0 0 0 0 0 0 0 0 0 GPRESSURE: 243100 0 0 0 0 0 0 0 0 0 PRESSAVG: 243100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243100 0 0 0 0 0 0 0 0 0 TIMING: 243100 CPU: 968.68, 0.00397678/step Wall: 968.68, 0.00397677/step, 0.283787 hours remaining, 109.511719 MB of memory in use. ENERGY: 243100 646.7799 1876.3162 1987.5885 99.4860 -16.1603 -1012.9733 145.0293 0.0000 2689.0547 6415.1209 297.0136 3726.0662 6450.2529 295.6586 PRESSURE: 243200 0 0 0 0 0 0 0 0 0 GPRESSURE: 243200 0 0 0 0 0 0 0 0 0 PRESSAVG: 243200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243200 0 0 0 0 0 0 0 0 0 TIMING: 243200 CPU: 969.078, 0.0039817/step Wall: 969.078, 0.00398171/step, 0.284029 hours remaining, 109.511719 MB of memory in use. ENERGY: 243200 644.8295 1856.4398 2042.5983 93.0381 -15.2960 -1065.1373 178.8367 0.0000 2678.3127 6413.6217 295.8271 3735.3091 6444.9276 297.3363 PRESSURE: 243300 0 0 0 0 0 0 0 0 0 GPRESSURE: 243300 0 0 0 0 0 0 0 0 0 PRESSAVG: 243300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243300 0 0 0 0 0 0 0 0 0 TIMING: 243300 CPU: 969.475, 0.00397553/step Wall: 969.475, 0.00397553/step, 0.283477 hours remaining, 109.511719 MB of memory in use. ENERGY: 243300 643.5131 1896.4719 2014.1889 112.2734 -15.4031 -1067.4307 143.7473 0.0000 2701.3977 6428.7585 298.3769 3727.3608 6461.4496 297.4266 PRESSURE: 243400 0 0 0 0 0 0 0 0 0 GPRESSURE: 243400 0 0 0 0 0 0 0 0 0 PRESSAVG: 243400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243400 0 0 0 0 0 0 0 0 0 TIMING: 243400 CPU: 969.874, 0.00398613/step Wall: 969.874, 0.00398613/step, 0.284122 hours remaining, 109.511719 MB of memory in use. ENERGY: 243400 676.7997 1885.3768 2017.6037 102.0437 -13.4307 -1036.6268 167.1653 0.0000 2664.4902 6463.4221 294.3004 3798.9318 6492.4848 296.8596 PRESSURE: 243500 0 0 0 0 0 0 0 0 0 GPRESSURE: 243500 0 0 0 0 0 0 0 0 0 PRESSAVG: 243500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243500 0 0 0 0 0 0 0 0 0 TIMING: 243500 CPU: 970.271, 0.00397377/step Wall: 970.271, 0.00397377/step, 0.283131 hours remaining, 109.511719 MB of memory in use. ENERGY: 243500 637.3271 1857.7560 2027.2805 108.1025 -14.5243 -1027.3058 156.6718 0.0000 2692.4132 6437.7211 297.3845 3745.3079 6469.8484 298.8207 PRESSURE: 243600 0 0 0 0 0 0 0 0 0 GPRESSURE: 243600 0 0 0 0 0 0 0 0 0 PRESSAVG: 243600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243600 0 0 0 0 0 0 0 0 0 TIMING: 243600 CPU: 970.669, 0.00397397/step Wall: 970.669, 0.00397397/step, 0.283035 hours remaining, 109.511719 MB of memory in use. ENERGY: 243600 669.0139 1874.5736 2025.6313 104.3715 -14.5887 -1047.0649 169.7160 0.0000 2684.2767 6465.9295 296.4858 3781.6528 6498.5210 298.4262 PRESSURE: 243700 0 0 0 0 0 0 0 0 0 GPRESSURE: 243700 0 0 0 0 0 0 0 0 0 PRESSAVG: 243700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243700 0 0 0 0 0 0 0 0 0 TIMING: 243700 CPU: 971.07, 0.00401457/step Wall: 971.07, 0.00401457/step, 0.285815 hours remaining, 109.511719 MB of memory in use. ENERGY: 243700 609.8795 1916.2540 2021.4871 109.2243 -15.3359 -1047.1836 179.4448 0.0000 2667.3502 6441.1203 294.6163 3773.7700 6472.9826 297.0713 PRESSURE: 243800 0 0 0 0 0 0 0 0 0 GPRESSURE: 243800 0 0 0 0 0 0 0 0 0 PRESSAVG: 243800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243800 0 0 0 0 0 0 0 0 0 TIMING: 243800 CPU: 971.468, 0.0039776/step Wall: 971.468, 0.0039776/step, 0.283073 hours remaining, 109.511719 MB of memory in use. ENERGY: 243800 623.6190 1846.4948 2022.7349 106.8756 -14.3125 -1024.5326 157.4114 0.0000 2728.6261 6446.9166 301.3844 3718.2905 6479.7004 296.8299 PRESSURE: 243900 0 0 0 0 0 0 0 0 0 GPRESSURE: 243900 0 0 0 0 0 0 0 0 0 PRESSAVG: 243900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 243900 0 0 0 0 0 0 0 0 0 TIMING: 243900 CPU: 971.867, 0.00398733/step Wall: 971.867, 0.00398733/step, 0.283654 hours remaining, 109.511719 MB of memory in use. ENERGY: 243900 653.9214 1870.8915 2020.8286 116.9951 -15.6698 -1047.6250 158.3077 0.0000 2713.9497 6471.5992 299.7633 3757.6495 6505.1732 298.0510 PRESSURE: 244000 0 0 0 0 0 0 0 0 0 GPRESSURE: 244000 0 0 0 0 0 0 0 0 0 PRESSAVG: 244000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244000 0 0 0 0 0 0 0 0 0 TIMING: 244000 CPU: 972.264, 0.00397701/step Wall: 972.264, 0.00397701/step, 0.28281 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 244000 643.5253 1850.7353 1998.8805 105.2175 -14.8946 -1013.0173 164.5210 0.0000 2722.0555 6457.0232 300.6586 3734.9677 6489.4318 299.0085 PRESSURE: 244100 0 0 0 0 0 0 0 0 0 GPRESSURE: 244100 0 0 0 0 0 0 0 0 0 PRESSAVG: 244100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244100 0 0 0 0 0 0 0 0 0 TIMING: 244100 CPU: 972.662, 0.00397645/step Wall: 972.662, 0.00397644/step, 0.282659 hours remaining, 109.511719 MB of memory in use. ENERGY: 244100 624.1306 1845.8274 2011.4462 118.1123 -15.6169 -1000.6448 163.4496 0.0000 2706.9055 6453.6098 298.9853 3746.7043 6487.0474 299.0293 PRESSURE: 244200 0 0 0 0 0 0 0 0 0 GPRESSURE: 244200 0 0 0 0 0 0 0 0 0 PRESSAVG: 244200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244200 0 0 0 0 0 0 0 0 0 TIMING: 244200 CPU: 973.061, 0.00398615/step Wall: 973.061, 0.00398616/step, 0.283239 hours remaining, 109.511719 MB of memory in use. ENERGY: 244200 664.3993 1822.5128 2019.9977 111.7815 -14.1426 -1027.5504 167.3497 0.0000 2742.0863 6486.4342 302.8711 3744.3480 6518.9483 299.9159 LDB: ============= START OF LOAD BALANCING ============== 975.836 LDB: ============== END OF LOAD BALANCING =============== 975.836 LDB: =============== DONE WITH MIGRATION ================ 975.836 PRESSURE: 244300 0 0 0 0 0 0 0 0 0 GPRESSURE: 244300 0 0 0 0 0 0 0 0 0 PRESSAVG: 244300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244300 0 0 0 0 0 0 0 0 0 TIMING: 244300 CPU: 973.459, 0.00398014/step Wall: 973.459, 0.00398014/step, 0.2827 hours remaining, 109.511719 MB of memory in use. ENERGY: 244300 637.2374 1871.6741 2028.7055 112.8784 -15.4862 -1062.3844 180.0218 0.0000 2740.3109 6492.9574 302.6750 3752.6466 6529.2510 299.3152 LDB: ============= START OF LOAD BALANCING ============== 976.236 LDB: ============== END OF LOAD BALANCING =============== 976.236 LDB: =============== DONE WITH MIGRATION ================ 976.236 PRESSURE: 244400 0 0 0 0 0 0 0 0 0 GPRESSURE: 244400 0 0 0 0 0 0 0 0 0 PRESSAVG: 244400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244400 0 0 0 0 0 0 0 0 0 TIMING: 244400 CPU: 973.858, 0.00399531/step Wall: 973.858, 0.00399531/step, 0.283667 hours remaining, 109.511719 MB of memory in use. ENERGY: 244400 653.6248 1863.2931 2027.2079 114.5964 -15.1200 -1024.9555 166.0979 0.0000 2696.3541 6481.0987 297.8198 3784.7446 6512.8481 300.4814 PRESSURE: 244500 0 0 0 0 0 0 0 0 0 GPRESSURE: 244500 0 0 0 0 0 0 0 0 0 PRESSAVG: 244500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244500 0 0 0 0 0 0 0 0 0 TIMING: 244500 CPU: 974.256, 0.00397583/step Wall: 974.256, 0.00397583/step, 0.282173 hours remaining, 109.511719 MB of memory in use. ENERGY: 244500 658.4476 1787.7483 2014.3139 104.0360 -14.8504 -1066.4613 174.4141 0.0000 2772.9640 6430.6124 306.2816 3657.6484 6464.1069 299.3486 PRESSURE: 244600 0 0 0 0 0 0 0 0 0 GPRESSURE: 244600 0 0 0 0 0 0 0 0 0 PRESSAVG: 244600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244600 0 0 0 0 0 0 0 0 0 TIMING: 244600 CPU: 974.653, 0.00397652/step Wall: 974.653, 0.00397652/step, 0.282112 hours remaining, 109.511719 MB of memory in use. ENERGY: 244600 657.2476 1922.7824 2018.0881 99.6759 -14.1422 -1068.7278 180.4667 0.0000 2715.8780 6511.2686 299.9763 3795.3906 6540.6058 299.9713 PRESSURE: 244700 0 0 0 0 0 0 0 0 0 GPRESSURE: 244700 0 0 0 0 0 0 0 0 0 PRESSAVG: 244700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244700 0 0 0 0 0 0 0 0 0 TIMING: 244700 CPU: 975.052, 0.00398723/step Wall: 975.052, 0.00398723/step, 0.282761 hours remaining, 109.511719 MB of memory in use. ENERGY: 244700 659.9342 1877.8466 2019.6331 105.2289 -14.8087 -1032.7375 156.9236 0.0000 2704.4076 6476.4277 298.7093 3772.0201 6507.3376 300.2357 PRESSURE: 244800 0 0 0 0 0 0 0 0 0 GPRESSURE: 244800 0 0 0 0 0 0 0 0 0 PRESSAVG: 244800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244800 0 0 0 0 0 0 0 0 0 TIMING: 244800 CPU: 975.45, 0.00397605/step Wall: 975.45, 0.00397605/step, 0.281858 hours remaining, 109.511719 MB of memory in use. ENERGY: 244800 644.6798 1893.3870 2041.3959 114.0235 -13.9961 -1035.3356 158.5443 0.0000 2673.4381 6476.1368 295.2887 3802.6988 6509.5146 298.9086 PRESSURE: 244900 0 0 0 0 0 0 0 0 0 GPRESSURE: 244900 0 0 0 0 0 0 0 0 0 PRESSAVG: 244900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 244900 0 0 0 0 0 0 0 0 0 TIMING: 244900 CPU: 975.883, 0.00432931/step Wall: 975.883, 0.00432931/step, 0.30678 hours remaining, 109.511719 MB of memory in use. ENERGY: 244900 660.7463 1870.9351 2017.3822 104.5546 -14.9804 -1011.5049 165.7151 0.0000 2766.7992 6559.6472 305.6007 3792.8480 6594.4065 301.1815 PRESSURE: 245000 0 0 0 0 0 0 0 0 0 GPRESSURE: 245000 0 0 0 0 0 0 0 0 0 PRESSAVG: 245000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245000 0 0 0 0 0 0 0 0 0 TIMING: 245000 CPU: 976.288, 0.00405563/step Wall: 976.288, 0.00405563/step, 0.287274 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 245000 692.9767 1895.1800 2033.6322 119.2473 -14.6329 -1043.3498 178.7021 0.0000 2665.7519 6527.5074 294.4397 3861.7555 6558.1233 303.1520 PRESSURE: 245100 0 0 0 0 0 0 0 0 0 GPRESSURE: 245100 0 0 0 0 0 0 0 0 0 PRESSAVG: 245100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245100 0 0 0 0 0 0 0 0 0 TIMING: 245100 CPU: 976.686, 0.00397996/step Wall: 976.686, 0.00397996/step, 0.281803 hours remaining, 109.511719 MB of memory in use. ENERGY: 245100 631.8588 1974.2960 2016.0913 97.5817 -14.4808 -1057.5514 161.1047 0.0000 2703.8876 6512.7879 298.6519 3808.9003 6543.4265 302.7343 PRESSURE: 245200 0 0 0 0 0 0 0 0 0 GPRESSURE: 245200 0 0 0 0 0 0 0 0 0 PRESSAVG: 245200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245200 0 0 0 0 0 0 0 0 0 TIMING: 245200 CPU: 977.084, 0.00397762/step Wall: 977.084, 0.00397762/step, 0.281527 hours remaining, 109.511719 MB of memory in use. ENERGY: 245200 686.4925 1860.8145 2064.2041 110.1223 -14.7192 -1049.0410 158.0124 0.0000 2753.5363 6569.4220 304.1358 3815.8856 6603.2742 302.9887 PRESSURE: 245300 0 0 0 0 0 0 0 0 0 GPRESSURE: 245300 0 0 0 0 0 0 0 0 0 PRESSAVG: 245300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245300 0 0 0 0 0 0 0 0 0 TIMING: 245300 CPU: 977.482, 0.0039781/step Wall: 977.482, 0.0039781/step, 0.281451 hours remaining, 109.511719 MB of memory in use. ENERGY: 245300 688.3575 1912.0841 2016.0279 112.3022 -13.7951 -1054.3542 165.3283 0.0000 2772.4781 6598.4289 306.2279 3825.9508 6630.2568 304.2953 PRESSURE: 245400 0 0 0 0 0 0 0 0 0 GPRESSURE: 245400 0 0 0 0 0 0 0 0 0 PRESSAVG: 245400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245400 0 0 0 0 0 0 0 0 0 TIMING: 245400 CPU: 977.879, 0.00397646/step Wall: 977.879, 0.00397646/step, 0.281224 hours remaining, 109.511719 MB of memory in use. ENERGY: 245400 673.2935 1902.7619 2023.2342 95.4399 -14.5312 -1023.2651 159.8330 0.0000 2747.5316 6564.2978 303.4725 3816.7662 6596.9580 305.4975 PRESSURE: 245500 0 0 0 0 0 0 0 0 0 GPRESSURE: 245500 0 0 0 0 0 0 0 0 0 PRESSAVG: 245500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245500 0 0 0 0 0 0 0 0 0 TIMING: 245500 CPU: 978.277, 0.00397609/step Wall: 978.277, 0.00397609/step, 0.281087 hours remaining, 109.511719 MB of memory in use. ENERGY: 245500 637.6157 1896.8252 2023.5281 112.6308 -15.3879 -1054.8334 164.5489 0.0000 2772.1347 6537.0621 306.1900 3764.9274 6570.5512 303.2532 PRESSURE: 245600 0 0 0 0 0 0 0 0 0 GPRESSURE: 245600 0 0 0 0 0 0 0 0 0 PRESSAVG: 245600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245600 0 0 0 0 0 0 0 0 0 TIMING: 245600 CPU: 978.675, 0.0039792/step Wall: 978.675, 0.0039792/step, 0.281197 hours remaining, 109.511719 MB of memory in use. ENERGY: 245600 667.0560 1879.9894 2017.3097 94.8315 -13.5711 -1057.0043 167.7939 0.0000 2724.3328 6480.7378 300.9101 3756.4051 6514.4320 300.9515 PRESSURE: 245700 0 0 0 0 0 0 0 0 0 GPRESSURE: 245700 0 0 0 0 0 0 0 0 0 PRESSAVG: 245700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245700 0 0 0 0 0 0 0 0 0 TIMING: 245700 CPU: 979.073, 0.00397649/step Wall: 979.073, 0.00397649/step, 0.280895 hours remaining, 109.511719 MB of memory in use. ENERGY: 245700 660.6065 1816.1923 2034.0694 107.0208 -13.8211 -992.4708 170.7289 0.0000 2662.3428 6444.6688 294.0632 3782.3260 6476.8985 299.5328 PRESSURE: 245800 0 0 0 0 0 0 0 0 0 GPRESSURE: 245800 0 0 0 0 0 0 0 0 0 PRESSAVG: 245800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245800 0 0 0 0 0 0 0 0 0 TIMING: 245800 CPU: 979.47, 0.00397661/step Wall: 979.47, 0.00397661/step, 0.280793 hours remaining, 109.511719 MB of memory in use. ENERGY: 245800 692.8101 1862.7812 2030.6351 116.9958 -14.8350 -1085.4962 168.4383 0.0000 2674.9188 6446.2481 295.4522 3771.3293 6478.2914 298.6795 PRESSURE: 245900 0 0 0 0 0 0 0 0 0 GPRESSURE: 245900 0 0 0 0 0 0 0 0 0 PRESSAVG: 245900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 245900 0 0 0 0 0 0 0 0 0 TIMING: 245900 CPU: 979.868, 0.00397817/step Wall: 979.868, 0.00397816/step, 0.280792 hours remaining, 109.511719 MB of memory in use. ENERGY: 245900 632.1322 1816.2298 2019.0143 110.1645 -14.4716 -1018.9108 164.1086 0.0000 2688.6509 6396.9178 296.9690 3708.2670 6431.8487 295.7697 PRESSURE: 246000 0 0 0 0 0 0 0 0 0 GPRESSURE: 246000 0 0 0 0 0 0 0 0 0 PRESSAVG: 246000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246000 0 0 0 0 0 0 0 0 0 TIMING: 246000 CPU: 980.265, 0.00397195/step Wall: 980.265, 0.00397196/step, 0.280244 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 246000 635.3742 1846.7412 2047.7018 105.8235 -15.1586 -1024.0555 165.2291 0.0000 2677.3838 6439.0396 295.7245 3761.6558 6471.7516 296.7511 PRESSURE: 246100 0 0 0 0 0 0 0 0 0 GPRESSURE: 246100 0 0 0 0 0 0 0 0 0 PRESSAVG: 246100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246100 0 0 0 0 0 0 0 0 0 TIMING: 246100 CPU: 980.663, 0.00397983/step Wall: 980.663, 0.00397983/step, 0.280689 hours remaining, 109.511719 MB of memory in use. ENERGY: 246100 659.5805 1843.0380 2041.6577 105.5050 -14.5472 -1085.0366 171.0219 0.0000 2708.5281 6429.7475 299.1645 3721.2194 6461.3682 297.6187 PRESSURE: 246200 0 0 0 0 0 0 0 0 0 GPRESSURE: 246200 0 0 0 0 0 0 0 0 0 PRESSAVG: 246200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246200 0 0 0 0 0 0 0 0 0 TIMING: 246200 CPU: 981.061, 0.00397771/step Wall: 981.061, 0.0039777/step, 0.280428 hours remaining, 109.511719 MB of memory in use. ENERGY: 246200 636.8798 1860.9478 2036.1018 95.9469 -14.6817 -1030.7181 164.3167 0.0000 2683.0517 6431.8450 296.3505 3748.7933 6462.7509 296.1657 PRESSURE: 246300 0 0 0 0 0 0 0 0 0 GPRESSURE: 246300 0 0 0 0 0 0 0 0 0 PRESSAVG: 246300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246300 0 0 0 0 0 0 0 0 0 TIMING: 246300 CPU: 981.459, 0.00398002/step Wall: 981.459, 0.00398003/step, 0.280482 hours remaining, 109.511719 MB of memory in use. ENERGY: 246300 636.6893 1905.1883 2017.4915 96.3701 -14.3127 -1053.7535 172.3099 0.0000 2660.3000 6420.2828 293.8375 3759.9829 6452.6749 297.9968 PRESSURE: 246400 0 0 0 0 0 0 0 0 0 GPRESSURE: 246400 0 0 0 0 0 0 0 0 0 PRESSAVG: 246400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246400 0 0 0 0 0 0 0 0 0 TIMING: 246400 CPU: 981.857, 0.00397786/step Wall: 981.857, 0.00397786/step, 0.280218 hours remaining, 109.511719 MB of memory in use. ENERGY: 246400 650.9042 1895.2674 2005.4430 106.5419 -15.0525 -1043.6429 147.9378 0.0000 2689.2988 6436.6976 297.0405 3747.3988 6467.0967 299.3596 PRESSURE: 246500 0 0 0 0 0 0 0 0 0 GPRESSURE: 246500 0 0 0 0 0 0 0 0 0 PRESSAVG: 246500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246500 0 0 0 0 0 0 0 0 0 TIMING: 246500 CPU: 982.254, 0.00397581/step Wall: 982.254, 0.00397581/step, 0.279963 hours remaining, 109.511719 MB of memory in use. ENERGY: 246500 617.6328 1844.1269 2007.3179 109.8923 -15.1144 -1025.0063 164.3787 0.0000 2719.9472 6423.1750 300.4257 3703.2278 6456.9782 296.9693 PRESSURE: 246600 0 0 0 0 0 0 0 0 0 GPRESSURE: 246600 0 0 0 0 0 0 0 0 0 PRESSAVG: 246600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246600 0 0 0 0 0 0 0 0 0 TIMING: 246600 CPU: 982.653, 0.00398107/step Wall: 982.653, 0.00398107/step, 0.280223 hours remaining, 109.511719 MB of memory in use. ENERGY: 246600 669.3768 1908.2316 1991.6802 105.5798 -14.4639 -1054.2133 162.9937 0.0000 2684.3792 6453.5641 296.4972 3769.1849 6488.3306 297.6116 PRESSURE: 246700 0 0 0 0 0 0 0 0 0 GPRESSURE: 246700 0 0 0 0 0 0 0 0 0 PRESSAVG: 246700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246700 0 0 0 0 0 0 0 0 0 TIMING: 246700 CPU: 983.05, 0.00397457/step Wall: 983.05, 0.00397457/step, 0.279655 hours remaining, 109.511719 MB of memory in use. ENERGY: 246700 691.2633 1871.3724 2023.7584 106.8452 -16.0366 -1028.4895 154.2473 0.0000 2682.3410 6485.3016 296.2720 3802.9606 6515.8478 298.7285 PRESSURE: 246800 0 0 0 0 0 0 0 0 0 GPRESSURE: 246800 0 0 0 0 0 0 0 0 0 PRESSAVG: 246800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246800 0 0 0 0 0 0 0 0 0 TIMING: 246800 CPU: 983.448, 0.0039807/step Wall: 983.448, 0.0039807/step, 0.279976 hours remaining, 109.511719 MB of memory in use. ENERGY: 246800 668.7894 1899.6317 2023.3777 102.3002 -14.6127 -1061.4826 154.0944 0.0000 2740.4664 6512.5643 302.6921 3772.0979 6544.9325 301.5527 PRESSURE: 246900 0 0 0 0 0 0 0 0 0 GPRESSURE: 246900 0 0 0 0 0 0 0 0 0 PRESSAVG: 246900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 246900 0 0 0 0 0 0 0 0 0 TIMING: 246900 CPU: 983.846, 0.00397746/step Wall: 983.846, 0.00397746/step, 0.279637 hours remaining, 109.511719 MB of memory in use. ENERGY: 246900 659.5652 1899.6465 2029.1867 109.8792 -15.3362 -1041.7434 162.1996 0.0000 2715.9392 6519.3367 299.9830 3803.3975 6550.0488 301.6850 PRESSURE: 247000 0 0 0 0 0 0 0 0 0 GPRESSURE: 247000 0 0 0 0 0 0 0 0 0 PRESSAVG: 247000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247000 0 0 0 0 0 0 0 0 0 TIMING: 247000 CPU: 984.243, 0.003976/step Wall: 984.243, 0.003976/step, 0.279425 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 247000 664.0061 1913.6983 1999.7055 103.9469 -16.1097 -1043.7011 141.1070 0.0000 2761.8632 6524.5161 305.0555 3762.6529 6561.9265 303.1567 PRESSURE: 247100 0 0 0 0 0 0 0 0 0 GPRESSURE: 247100 0 0 0 0 0 0 0 0 0 PRESSAVG: 247100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247100 0 0 0 0 0 0 0 0 0 TIMING: 247100 CPU: 984.641, 0.00397663/step Wall: 984.641, 0.00397663/step, 0.279358 hours remaining, 109.511719 MB of memory in use. ENERGY: 247100 688.0341 1952.0368 2015.9916 109.9878 -14.3380 -1074.8412 155.8666 0.0000 2686.5706 6519.3082 296.7392 3832.7376 6548.6745 302.7822 PRESSURE: 247200 0 0 0 0 0 0 0 0 0 GPRESSURE: 247200 0 0 0 0 0 0 0 0 0 PRESSAVG: 247200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247200 0 0 0 0 0 0 0 0 0 TIMING: 247200 CPU: 985.039, 0.00397866/step Wall: 985.039, 0.00397866/step, 0.27939 hours remaining, 109.511719 MB of memory in use. ENERGY: 247200 636.1128 1966.5078 2015.2808 111.9357 -14.4323 -1071.1237 163.4989 0.0000 2709.3942 6517.1742 299.2601 3807.7800 6549.7982 302.2979 PRESSURE: 247300 0 0 0 0 0 0 0 0 0 GPRESSURE: 247300 0 0 0 0 0 0 0 0 0 PRESSAVG: 247300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247300 0 0 0 0 0 0 0 0 0 TIMING: 247300 CPU: 985.437, 0.00397851/step Wall: 985.437, 0.00397851/step, 0.279269 hours remaining, 109.511719 MB of memory in use. ENERGY: 247300 627.1407 1907.5345 1983.6582 98.0470 -14.9824 -1005.5513 151.0963 0.0000 2778.2073 6525.1502 306.8607 3746.9429 6561.7217 301.5471 PRESSURE: 247400 0 0 0 0 0 0 0 0 0 GPRESSURE: 247400 0 0 0 0 0 0 0 0 0 PRESSAVG: 247400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247400 0 0 0 0 0 0 0 0 0 TIMING: 247400 CPU: 985.835, 0.00397704/step Wall: 985.835, 0.00397704/step, 0.279056 hours remaining, 109.511719 MB of memory in use. ENERGY: 247400 645.9819 1838.6841 2037.8148 123.0682 -15.7107 -1042.4991 168.0959 0.0000 2759.5730 6515.0082 304.8025 3755.4352 6552.2481 303.8399 PRESSURE: 247500 0 0 0 0 0 0 0 0 0 GPRESSURE: 247500 0 0 0 0 0 0 0 0 0 PRESSAVG: 247500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247500 0 0 0 0 0 0 0 0 0 TIMING: 247500 CPU: 986.232, 0.0039762/step Wall: 986.232, 0.0039762/step, 0.278886 hours remaining, 109.511719 MB of memory in use. ENERGY: 247500 653.5855 1847.3790 2013.9559 104.9389 -14.3690 -1021.8123 158.6325 0.0000 2761.9898 6504.3002 305.0695 3742.3104 6540.7003 301.6615 PRESSURE: 247600 0 0 0 0 0 0 0 0 0 GPRESSURE: 247600 0 0 0 0 0 0 0 0 0 PRESSAVG: 247600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247600 0 0 0 0 0 0 0 0 0 TIMING: 247600 CPU: 986.63, 0.00397442/step Wall: 986.63, 0.00397442/step, 0.278651 hours remaining, 109.511719 MB of memory in use. ENERGY: 247600 674.1985 1889.8927 2014.6774 104.5015 -14.2444 -1071.8105 163.1132 0.0000 2739.9508 6500.2792 302.6352 3760.3284 6535.0586 301.9725 PRESSURE: 247700 0 0 0 0 0 0 0 0 0 GPRESSURE: 247700 0 0 0 0 0 0 0 0 0 PRESSAVG: 247700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247700 0 0 0 0 0 0 0 0 0 TIMING: 247700 CPU: 987.027, 0.00397744/step Wall: 987.027, 0.00397744/step, 0.278752 hours remaining, 109.511719 MB of memory in use. ENERGY: 247700 671.5482 1866.4733 2010.8379 90.6615 -16.0560 -1035.3450 154.8186 0.0000 2777.0646 6520.0031 306.7345 3742.9386 6553.8944 302.6062 PRESSURE: 247800 0 0 0 0 0 0 0 0 0 GPRESSURE: 247800 0 0 0 0 0 0 0 0 0 PRESSAVG: 247800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247800 0 0 0 0 0 0 0 0 0 TIMING: 247800 CPU: 987.425, 0.00397649/step Wall: 987.425, 0.00397649/step, 0.278575 hours remaining, 109.511719 MB of memory in use. ENERGY: 247800 656.2068 1890.4887 2004.3849 112.6228 -16.8185 -1051.8200 164.0492 0.0000 2766.5514 6525.6653 305.5733 3759.1139 6558.8525 301.9031 PRESSURE: 247900 0 0 0 0 0 0 0 0 0 GPRESSURE: 247900 0 0 0 0 0 0 0 0 0 PRESSAVG: 247900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 247900 0 0 0 0 0 0 0 0 0 TIMING: 247900 CPU: 987.823, 0.00397559/step Wall: 987.823, 0.00397559/step, 0.278402 hours remaining, 109.511719 MB of memory in use. ENERGY: 247900 646.9508 1898.8088 2004.6412 106.2802 -15.8095 -1074.4893 166.3029 0.0000 2803.5881 6536.2733 309.6641 3732.6852 6570.2254 302.0141 PRESSURE: 248000 0 0 0 0 0 0 0 0 0 GPRESSURE: 248000 0 0 0 0 0 0 0 0 0 PRESSAVG: 248000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248000 0 0 0 0 0 0 0 0 0 TIMING: 248000 CPU: 988.22, 0.00397689/step Wall: 988.22, 0.00397689/step, 0.278382 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 248000 650.8073 1897.2980 2019.4011 98.7167 -15.3912 -1024.4222 168.7372 0.0000 2738.9086 6534.0556 302.5201 3795.1470 6566.3538 302.8196 PRESSURE: 248100 0 0 0 0 0 0 0 0 0 GPRESSURE: 248100 0 0 0 0 0 0 0 0 0 PRESSAVG: 248100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248100 0 0 0 0 0 0 0 0 0 TIMING: 248100 CPU: 988.618, 0.0039753/step Wall: 988.618, 0.0039753/step, 0.278161 hours remaining, 109.511719 MB of memory in use. ENERGY: 248100 639.3576 1976.4094 2019.4849 113.1971 -15.3493 -1047.3852 164.7650 0.0000 2706.1852 6556.6647 298.9057 3850.4796 6591.5639 303.5130 PRESSURE: 248200 0 0 0 0 0 0 0 0 0 GPRESSURE: 248200 0 0 0 0 0 0 0 0 0 PRESSAVG: 248200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248200 0 0 0 0 0 0 0 0 0 TIMING: 248200 CPU: 989.016, 0.00398037/step Wall: 989.016, 0.00398037/step, 0.278405 hours remaining, 109.511719 MB of memory in use. ENERGY: 248200 701.1487 1890.3271 2050.9507 110.2090 -14.9455 -1047.1036 166.0483 0.0000 2702.5959 6559.2306 298.5092 3856.6347 6587.4962 303.5557 LDB: ============= START OF LOAD BALANCING ============== 991.791 LDB: ============== END OF LOAD BALANCING =============== 991.791 LDB: =============== DONE WITH MIGRATION ================ 991.791 PRESSURE: 248300 0 0 0 0 0 0 0 0 0 GPRESSURE: 248300 0 0 0 0 0 0 0 0 0 PRESSAVG: 248300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248300 0 0 0 0 0 0 0 0 0 TIMING: 248300 CPU: 989.414, 0.00397851/step Wall: 989.414, 0.00397851/step, 0.278164 hours remaining, 109.511719 MB of memory in use. ENERGY: 248300 628.6277 1951.2266 2016.2296 108.0379 -14.5199 -1023.6528 156.3295 0.0000 2708.7724 6531.0509 299.1915 3822.2785 6563.3392 304.3280 LDB: ============= START OF LOAD BALANCING ============== 992.19 LDB: ============== END OF LOAD BALANCING =============== 992.19 LDB: =============== DONE WITH MIGRATION ================ 992.19 PRESSURE: 248400 0 0 0 0 0 0 0 0 0 GPRESSURE: 248400 0 0 0 0 0 0 0 0 0 PRESSAVG: 248400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248400 0 0 0 0 0 0 0 0 0 TIMING: 248400 CPU: 989.812, 0.00398463/step Wall: 989.812, 0.00398463/step, 0.278481 hours remaining, 109.511719 MB of memory in use. ENERGY: 248400 677.3482 1922.0685 2015.1840 104.4723 -14.2363 -1049.4435 150.1684 0.0000 2738.0446 6543.6062 302.4247 3805.5616 6577.8755 302.3531 PRESSURE: 248500 0 0 0 0 0 0 0 0 0 GPRESSURE: 248500 0 0 0 0 0 0 0 0 0 PRESSAVG: 248500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248500 0 0 0 0 0 0 0 0 0 TIMING: 248500 CPU: 990.21, 0.00397438/step Wall: 990.21, 0.00397438/step, 0.277655 hours remaining, 109.511719 MB of memory in use. ENERGY: 248500 645.7914 1888.8365 2018.5665 103.3979 -14.4066 -1035.3708 153.5560 0.0000 2775.6794 6536.0502 306.5815 3760.3709 6569.0728 304.3114 PRESSURE: 248600 0 0 0 0 0 0 0 0 0 GPRESSURE: 248600 0 0 0 0 0 0 0 0 0 PRESSAVG: 248600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248600 0 0 0 0 0 0 0 0 0 TIMING: 248600 CPU: 990.607, 0.00397908/step Wall: 990.607, 0.00397908/step, 0.277872 hours remaining, 109.511719 MB of memory in use. ENERGY: 248600 628.7805 1938.0044 2010.4063 108.3495 -15.5207 -1064.7145 148.3159 0.0000 2720.8366 6474.4580 300.5240 3753.6214 6507.5800 300.9350 PRESSURE: 248700 0 0 0 0 0 0 0 0 0 GPRESSURE: 248700 0 0 0 0 0 0 0 0 0 PRESSAVG: 248700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248700 0 0 0 0 0 0 0 0 0 TIMING: 248700 CPU: 991.007, 0.00399707/step Wall: 991.007, 0.00399707/step, 0.279018 hours remaining, 109.511719 MB of memory in use. ENERGY: 248700 639.8307 1926.1219 2004.2200 111.0461 -14.8795 -1039.1546 169.0695 0.0000 2695.4687 6491.7227 297.7220 3796.2540 6524.6672 300.6220 PRESSURE: 248800 0 0 0 0 0 0 0 0 0 GPRESSURE: 248800 0 0 0 0 0 0 0 0 0 PRESSAVG: 248800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248800 0 0 0 0 0 0 0 0 0 TIMING: 248800 CPU: 991.405, 0.00397789/step Wall: 991.405, 0.00397789/step, 0.277568 hours remaining, 109.511719 MB of memory in use. ENERGY: 248800 687.1398 1919.8710 2000.7813 107.6550 -14.6490 -1057.4307 171.0859 0.0000 2722.6560 6537.1093 300.7249 3814.4533 6571.3380 301.1947 PRESSURE: 248900 0 0 0 0 0 0 0 0 0 GPRESSURE: 248900 0 0 0 0 0 0 0 0 0 PRESSAVG: 248900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 248900 0 0 0 0 0 0 0 0 0 TIMING: 248900 CPU: 991.803, 0.00397752/step Wall: 991.803, 0.00397752/step, 0.277432 hours remaining, 109.511719 MB of memory in use. ENERGY: 248900 650.0174 1956.7901 2015.1509 102.8872 -14.8331 -1067.4467 154.5806 0.0000 2749.9345 6547.0811 303.7379 3797.1465 6578.7125 303.4021 PRESSURE: 249000 0 0 0 0 0 0 0 0 0 GPRESSURE: 249000 0 0 0 0 0 0 0 0 0 PRESSAVG: 249000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249000 0 0 0 0 0 0 0 0 0 TIMING: 249000 CPU: 992.2, 0.0039779/step Wall: 992.2, 0.00397789/step, 0.277347 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 249000 659.7712 1922.6749 2032.8110 108.9494 -14.1086 -1030.0923 164.5242 0.0000 2696.7913 6541.3210 297.8681 3844.5298 6575.0317 303.3690 PRESSURE: 249100 0 0 0 0 0 0 0 0 0 GPRESSURE: 249100 0 0 0 0 0 0 0 0 0 PRESSAVG: 249100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249100 0 0 0 0 0 0 0 0 0 TIMING: 249100 CPU: 992.598, 0.00397715/step Wall: 992.598, 0.00397716/step, 0.277186 hours remaining, 109.511719 MB of memory in use. ENERGY: 249100 664.3659 1865.6773 2029.3972 103.9096 -14.6951 -1034.2878 172.5511 0.0000 2702.4436 6489.3618 298.4924 3786.9182 6524.0769 300.6486 PRESSURE: 249200 0 0 0 0 0 0 0 0 0 GPRESSURE: 249200 0 0 0 0 0 0 0 0 0 PRESSAVG: 249200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249200 0 0 0 0 0 0 0 0 0 TIMING: 249200 CPU: 992.996, 0.00397661/step Wall: 992.996, 0.00397661/step, 0.277037 hours remaining, 109.511719 MB of memory in use. ENERGY: 249200 687.5190 1896.4347 2008.1087 100.2410 -16.4350 -1066.2139 167.3961 0.0000 2668.0897 6445.1403 294.6979 3777.0505 6475.5558 298.8901 PRESSURE: 249300 0 0 0 0 0 0 0 0 0 GPRESSURE: 249300 0 0 0 0 0 0 0 0 0 PRESSAVG: 249300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249300 0 0 0 0 0 0 0 0 0 TIMING: 249300 CPU: 993.394, 0.00397788/step Wall: 993.394, 0.00397788/step, 0.277015 hours remaining, 109.511719 MB of memory in use. ENERGY: 249300 630.3779 1926.4424 2004.3999 104.7418 -15.9700 -1045.8965 158.4576 0.0000 2719.9890 6482.5418 300.4304 3762.5528 6515.4493 299.5876 PRESSURE: 249400 0 0 0 0 0 0 0 0 0 GPRESSURE: 249400 0 0 0 0 0 0 0 0 0 PRESSAVG: 249400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249400 0 0 0 0 0 0 0 0 0 TIMING: 249400 CPU: 993.791, 0.0039773/step Wall: 993.791, 0.0039773/step, 0.276864 hours remaining, 109.511719 MB of memory in use. ENERGY: 249400 619.9086 1902.4863 2010.8307 103.8741 -14.9227 -1038.5180 156.4834 0.0000 2741.3779 6481.5203 302.7928 3740.1425 6514.3779 298.4791 PRESSURE: 249500 0 0 0 0 0 0 0 0 0 GPRESSURE: 249500 0 0 0 0 0 0 0 0 0 PRESSAVG: 249500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249500 0 0 0 0 0 0 0 0 0 TIMING: 249500 CPU: 994.189, 0.00397568/step Wall: 994.189, 0.00397568/step, 0.276641 hours remaining, 109.511719 MB of memory in use. ENERGY: 249500 667.9536 1906.6440 2015.4610 118.9999 -15.6541 -1058.3396 164.9017 0.0000 2693.8055 6493.7721 297.5383 3799.9666 6527.6314 300.6523 PRESSURE: 249600 0 0 0 0 0 0 0 0 0 GPRESSURE: 249600 0 0 0 0 0 0 0 0 0 PRESSAVG: 249600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249600 0 0 0 0 0 0 0 0 0 TIMING: 249600 CPU: 994.586, 0.00397553/step Wall: 994.586, 0.00397553/step, 0.27652 hours remaining, 109.511719 MB of memory in use. ENERGY: 249600 648.7612 1884.0845 2012.2035 112.6867 -15.5535 -1045.6402 173.1009 0.0000 2745.4787 6515.1218 303.2458 3769.6431 6547.4208 301.3853 PRESSURE: 249700 0 0 0 0 0 0 0 0 0 GPRESSURE: 249700 0 0 0 0 0 0 0 0 0 PRESSAVG: 249700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249700 0 0 0 0 0 0 0 0 0 TIMING: 249700 CPU: 994.984, 0.00397859/step Wall: 994.984, 0.00397859/step, 0.276622 hours remaining, 109.511719 MB of memory in use. ENERGY: 249700 667.4179 1939.2061 2002.9431 94.9125 -15.1631 -1061.4406 162.7867 0.0000 2768.1557 6558.8183 305.7505 3790.6626 6591.8306 303.4743 PRESSURE: 249800 0 0 0 0 0 0 0 0 0 GPRESSURE: 249800 0 0 0 0 0 0 0 0 0 PRESSAVG: 249800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249800 0 0 0 0 0 0 0 0 0 TIMING: 249800 CPU: 995.382, 0.00397951/step Wall: 995.382, 0.0039795/step, 0.276575 hours remaining, 109.511719 MB of memory in use. ENERGY: 249800 666.7441 1879.3969 2019.7008 106.9818 -15.1607 -1058.2832 176.5403 0.0000 2757.2760 6533.1960 304.5488 3775.9200 6568.8914 303.8536 PRESSURE: 249900 0 0 0 0 0 0 0 0 0 GPRESSURE: 249900 0 0 0 0 0 0 0 0 0 PRESSAVG: 249900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 249900 0 0 0 0 0 0 0 0 0 TIMING: 249900 CPU: 995.78, 0.00397543/step Wall: 995.78, 0.00397544/step, 0.276183 hours remaining, 109.511719 MB of memory in use. ENERGY: 249900 640.8301 1939.9457 2008.8025 114.4084 -14.6078 -1050.8098 184.2991 0.0000 2737.9936 6560.8618 302.4190 3822.8682 6593.0281 303.5856 PRESSURE: 250000 0 0 0 0 0 0 0 0 0 GPRESSURE: 250000 0 0 0 0 0 0 0 0 0 PRESSAVG: 250000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250000 0 0 0 0 0 0 0 0 0 TIMING: 250000 CPU: 996.177, 0.00397557/step Wall: 996.177, 0.00397557/step, 0.276081 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 250000 691.9829 1860.9889 2046.8708 121.5477 -14.4714 -1025.1902 168.6273 0.0000 2728.1239 6578.4800 301.3289 3850.3561 6609.6495 303.8700 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 250000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 250000 WRITING COORDINATES TO RESTART FILE AT STEP 250000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 250000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 250100 0 0 0 0 0 0 0 0 0 GPRESSURE: 250100 0 0 0 0 0 0 0 0 0 PRESSAVG: 250100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250100 0 0 0 0 0 0 0 0 0 TIMING: 250100 CPU: 996.643, 0.00465439/step Wall: 996.643, 0.00465439/step, 0.323092 hours remaining, 109.511719 MB of memory in use. ENERGY: 250100 665.1015 1873.7442 2045.5185 109.3469 -14.4574 -1086.1609 167.7156 0.0000 2812.8388 6573.6472 310.6859 3760.8084 6612.1755 304.9392 PRESSURE: 250200 0 0 0 0 0 0 0 0 0 GPRESSURE: 250200 0 0 0 0 0 0 0 0 0 PRESSAVG: 250200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250200 0 0 0 0 0 0 0 0 0 TIMING: 250200 CPU: 997.043, 0.00399679/step Wall: 997.043, 0.00399679/step, 0.277333 hours remaining, 109.511719 MB of memory in use. ENERGY: 250200 675.2904 1909.0951 2015.9725 95.6445 -15.8761 -1030.5475 166.5933 0.0000 2754.5537 6570.7258 304.2481 3816.1721 6606.5673 304.5773 PRESSURE: 250300 0 0 0 0 0 0 0 0 0 GPRESSURE: 250300 0 0 0 0 0 0 0 0 0 PRESSAVG: 250300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250300 0 0 0 0 0 0 0 0 0 TIMING: 250300 CPU: 997.441, 0.00398556/step Wall: 997.441, 0.00398556/step, 0.276443 hours remaining, 109.511719 MB of memory in use. ENERGY: 250300 690.7326 1908.8629 2026.3487 106.2850 -14.9957 -1067.8213 184.1164 0.0000 2743.0629 6576.5915 302.9789 3833.5286 6609.0096 305.0873 PRESSURE: 250400 0 0 0 0 0 0 0 0 0 GPRESSURE: 250400 0 0 0 0 0 0 0 0 0 PRESSAVG: 250400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250400 0 0 0 0 0 0 0 0 0 TIMING: 250400 CPU: 997.841, 0.0039968/step Wall: 997.841, 0.0039968/step, 0.277111 hours remaining, 109.511719 MB of memory in use. ENERGY: 250400 638.3809 1877.8411 2028.3941 103.4510 -15.5195 -1021.0790 176.7550 0.0000 2774.8072 6563.0307 306.4852 3788.2235 6599.1345 303.9840 PRESSURE: 250500 0 0 0 0 0 0 0 0 0 GPRESSURE: 250500 0 0 0 0 0 0 0 0 0 PRESSAVG: 250500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250500 0 0 0 0 0 0 0 0 0 TIMING: 250500 CPU: 998.239, 0.00397843/step Wall: 998.239, 0.00397843/step, 0.275727 hours remaining, 109.511719 MB of memory in use. ENERGY: 250500 656.3363 1927.1828 2003.9067 114.5989 -15.8127 -1023.4937 148.1954 0.0000 2749.9411 6560.8547 303.7387 3810.9136 6595.2325 303.8729 PRESSURE: 250600 0 0 0 0 0 0 0 0 0 GPRESSURE: 250600 0 0 0 0 0 0 0 0 0 PRESSAVG: 250600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250600 0 0 0 0 0 0 0 0 0 TIMING: 250600 CPU: 998.636, 0.00397691/step Wall: 998.636, 0.00397691/step, 0.275511 hours remaining, 109.511719 MB of memory in use. ENERGY: 250600 656.0939 1901.2543 2039.8147 104.3511 -14.5833 -1019.6037 157.9775 0.0000 2729.6461 6554.9506 301.4970 3825.3045 6589.5067 304.3084 PRESSURE: 250700 0 0 0 0 0 0 0 0 0 GPRESSURE: 250700 0 0 0 0 0 0 0 0 0 PRESSAVG: 250700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250700 0 0 0 0 0 0 0 0 0 TIMING: 250700 CPU: 999.035, 0.00398797/step Wall: 999.035, 0.00398797/step, 0.276167 hours remaining, 109.511719 MB of memory in use. ENERGY: 250700 668.3427 1850.4615 2014.4967 104.5178 -14.0902 -1050.2345 165.1338 0.0000 2805.4192 6544.0471 309.8664 3738.6279 6577.8464 303.8546 PRESSURE: 250800 0 0 0 0 0 0 0 0 0 GPRESSURE: 250800 0 0 0 0 0 0 0 0 0 PRESSAVG: 250800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250800 0 0 0 0 0 0 0 0 0 TIMING: 250800 CPU: 999.433, 0.00398004/step Wall: 999.433, 0.00398004/step, 0.275507 hours remaining, 109.511719 MB of memory in use. ENERGY: 250800 667.6761 1890.5350 2010.4784 108.6052 -14.7930 -1034.2687 167.1367 0.0000 2771.2571 6566.6268 306.0931 3795.3697 6600.8841 304.4479 PRESSURE: 250900 0 0 0 0 0 0 0 0 0 GPRESSURE: 250900 0 0 0 0 0 0 0 0 0 PRESSAVG: 250900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 250900 0 0 0 0 0 0 0 0 0 TIMING: 250900 CPU: 999.832, 0.0039914/step Wall: 999.832, 0.0039914/step, 0.276183 hours remaining, 109.511719 MB of memory in use. ENERGY: 250900 670.1405 1927.1279 1999.4906 107.2228 -14.1307 -1055.7516 176.1888 0.0000 2729.3222 6539.6105 301.4612 3810.2883 6571.8312 304.1307 PRESSURE: 251000 0 0 0 0 0 0 0 0 0 GPRESSURE: 251000 0 0 0 0 0 0 0 0 0 PRESSAVG: 251000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251000 0 0 0 0 0 0 0 0 0 TIMING: 251000 CPU: 1000.23, 0.00397447/step Wall: 1000.23, 0.00397447/step, 0.274901 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 251000 666.4039 1846.6953 2028.4731 104.5880 -15.8292 -1029.6540 155.3580 0.0000 2761.9529 6517.9880 305.0654 3756.0351 6551.6212 303.9416 PRESSURE: 251100 0 0 0 0 0 0 0 0 0 GPRESSURE: 251100 0 0 0 0 0 0 0 0 0 PRESSAVG: 251100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251100 0 0 0 0 0 0 0 0 0 TIMING: 251100 CPU: 1000.63, 0.00397574/step Wall: 1000.63, 0.00397574/step, 0.274878 hours remaining, 109.511719 MB of memory in use. ENERGY: 251100 668.0609 1873.8133 2021.5727 105.0634 -14.9566 -1042.1801 166.9376 0.0000 2724.8824 6503.1936 300.9708 3778.3112 6536.9436 302.2412 PRESSURE: 251200 0 0 0 0 0 0 0 0 0 GPRESSURE: 251200 0 0 0 0 0 0 0 0 0 PRESSAVG: 251200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251200 0 0 0 0 0 0 0 0 0 TIMING: 251200 CPU: 1001.03, 0.00398815/step Wall: 1001.03, 0.00398815/step, 0.275625 hours remaining, 109.511719 MB of memory in use. ENERGY: 251200 676.4120 1868.7836 2004.1035 103.4938 -14.6987 -1036.7796 174.6583 0.0000 2762.6943 6538.6671 305.1473 3775.9728 6575.0364 301.8548 PRESSURE: 251300 0 0 0 0 0 0 0 0 0 GPRESSURE: 251300 0 0 0 0 0 0 0 0 0 PRESSAVG: 251300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251300 0 0 0 0 0 0 0 0 0 TIMING: 251300 CPU: 1001.42, 0.00397577/step Wall: 1001.42, 0.00397577/step, 0.274659 hours remaining, 109.511719 MB of memory in use. ENERGY: 251300 642.4800 1929.9950 2027.0886 112.3263 -14.9580 -1037.0763 151.3263 0.0000 2769.3786 6580.5605 305.8856 3811.1819 6616.0897 304.6361 PRESSURE: 251400 0 0 0 0 0 0 0 0 0 GPRESSURE: 251400 0 0 0 0 0 0 0 0 0 PRESSAVG: 251400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251400 0 0 0 0 0 0 0 0 0 TIMING: 251400 CPU: 1001.82, 0.00398776/step Wall: 1001.82, 0.00398776/step, 0.275377 hours remaining, 109.511719 MB of memory in use. ENERGY: 251400 654.4530 1958.3985 2015.9456 111.7618 -15.0202 -1054.3301 158.4378 0.0000 2736.0194 6565.6657 302.2010 3829.6464 6595.8743 305.7360 PRESSURE: 251500 0 0 0 0 0 0 0 0 0 GPRESSURE: 251500 0 0 0 0 0 0 0 0 0 PRESSAVG: 251500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251500 0 0 0 0 0 0 0 0 0 TIMING: 251500 CPU: 1002.22, 0.00397422/step Wall: 1002.22, 0.00397422/step, 0.274331 hours remaining, 109.511719 MB of memory in use. ENERGY: 251500 689.4749 1915.5492 2008.0024 104.8808 -14.2925 -1039.0839 160.7908 0.0000 2739.0968 6564.4185 302.5409 3825.3217 6597.4023 303.8352 PRESSURE: 251600 0 0 0 0 0 0 0 0 0 GPRESSURE: 251600 0 0 0 0 0 0 0 0 0 PRESSAVG: 251600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251600 0 0 0 0 0 0 0 0 0 TIMING: 251600 CPU: 1002.62, 0.00397824/step Wall: 1002.62, 0.00397824/step, 0.274499 hours remaining, 109.511719 MB of memory in use. ENERGY: 251600 698.3120 1920.3818 2021.3256 107.8641 -15.4435 -1037.8325 153.3303 0.0000 2720.5412 6568.4790 300.4913 3847.9378 6601.3626 304.3177 PRESSURE: 251700 0 0 0 0 0 0 0 0 0 GPRESSURE: 251700 0 0 0 0 0 0 0 0 0 PRESSAVG: 251700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251700 0 0 0 0 0 0 0 0 0 TIMING: 251700 CPU: 1003.02, 0.00398747/step Wall: 1003.02, 0.00398747/step, 0.275025 hours remaining, 109.511719 MB of memory in use. ENERGY: 251700 678.8941 1900.2670 2011.8445 105.1485 -14.8321 -1058.6131 162.2920 0.0000 2778.3608 6563.3616 306.8777 3785.0009 6596.9920 305.9908 PRESSURE: 251800 0 0 0 0 0 0 0 0 0 GPRESSURE: 251800 0 0 0 0 0 0 0 0 0 PRESSAVG: 251800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251800 0 0 0 0 0 0 0 0 0 TIMING: 251800 CPU: 1003.41, 0.00397796/step Wall: 1003.41, 0.00397796/step, 0.274258 hours remaining, 109.511719 MB of memory in use. ENERGY: 251800 652.3073 1904.7917 2028.1865 99.6448 -15.7738 -1022.8594 149.5507 0.0000 2775.0440 6570.8917 306.5113 3795.8477 6606.4473 304.7765 PRESSURE: 251900 0 0 0 0 0 0 0 0 0 GPRESSURE: 251900 0 0 0 0 0 0 0 0 0 PRESSAVG: 251900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 251900 0 0 0 0 0 0 0 0 0 TIMING: 251900 CPU: 1003.81, 0.00398694/step Wall: 1003.81, 0.00398694/step, 0.274766 hours remaining, 109.511719 MB of memory in use. ENERGY: 251900 647.4739 1918.8433 2038.6906 102.3735 -15.7087 -1044.8423 157.4501 0.0000 2797.0841 6601.3647 308.9457 3804.2805 6635.3672 305.5684 PRESSURE: 252000 0 0 0 0 0 0 0 0 0 GPRESSURE: 252000 0 0 0 0 0 0 0 0 0 PRESSAVG: 252000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252000 0 0 0 0 0 0 0 0 0 TIMING: 252000 CPU: 1004.21, 0.0039744/step Wall: 1004.21, 0.0039744/step, 0.273792 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 252000 675.4568 1881.8332 2029.0748 106.4029 -15.5033 -1052.9391 167.6405 0.0000 2800.2704 6592.2362 309.2977 3791.9658 6624.0670 305.4839 PRESSURE: 252100 0 0 0 0 0 0 0 0 0 GPRESSURE: 252100 0 0 0 0 0 0 0 0 0 PRESSAVG: 252100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252100 0 0 0 0 0 0 0 0 0 TIMING: 252100 CPU: 1004.61, 0.00397601/step Wall: 1004.61, 0.00397601/step, 0.273792 hours remaining, 109.511719 MB of memory in use. ENERGY: 252100 669.7400 1894.4513 2033.8704 115.8865 -16.0604 -1057.8741 161.6320 0.0000 2788.8154 6590.4612 308.0324 3801.6458 6624.7752 306.0777 PRESSURE: 252200 0 0 0 0 0 0 0 0 0 GPRESSURE: 252200 0 0 0 0 0 0 0 0 0 PRESSAVG: 252200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252200 0 0 0 0 0 0 0 0 0 TIMING: 252200 CPU: 1005.01, 0.00398831/step Wall: 1005.01, 0.00398831/step, 0.274529 hours remaining, 109.511719 MB of memory in use. ENERGY: 252200 659.2868 1901.0757 2015.4900 102.9055 -13.0056 -1058.1839 173.6272 0.0000 2790.5679 6571.7637 308.2260 3781.1958 6606.4456 305.7131 LDB: ============= START OF LOAD BALANCING ============== 1007.78 LDB: ============== END OF LOAD BALANCING =============== 1007.78 LDB: =============== DONE WITH MIGRATION ================ 1007.78 PRESSURE: 252300 0 0 0 0 0 0 0 0 0 GPRESSURE: 252300 0 0 0 0 0 0 0 0 0 PRESSAVG: 252300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252300 0 0 0 0 0 0 0 0 0 TIMING: 252300 CPU: 1005.4, 0.00397815/step Wall: 1005.4, 0.00397814/step, 0.273718 hours remaining, 109.511719 MB of memory in use. ENERGY: 252300 646.3709 1886.5412 1999.8480 109.1533 -14.6012 -1039.0279 156.7288 0.0000 2781.1518 6526.1650 307.1860 3745.0131 6562.6182 302.8552 LDB: ============= START OF LOAD BALANCING ============== 1008.18 LDB: ============== END OF LOAD BALANCING =============== 1008.18 LDB: =============== DONE WITH MIGRATION ================ 1008.18 PRESSURE: 252400 0 0 0 0 0 0 0 0 0 GPRESSURE: 252400 0 0 0 0 0 0 0 0 0 PRESSAVG: 252400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252400 0 0 0 0 0 0 0 0 0 TIMING: 252400 CPU: 1005.8, 0.00399531/step Wall: 1005.8, 0.00399532/step, 0.274789 hours remaining, 109.511719 MB of memory in use. ENERGY: 252400 661.3379 1913.1864 2034.3776 103.0337 -15.0169 -1064.8523 165.3117 0.0000 2670.9215 6468.2996 295.0107 3797.3781 6499.8949 299.7277 PRESSURE: 252500 0 0 0 0 0 0 0 0 0 GPRESSURE: 252500 0 0 0 0 0 0 0 0 0 PRESSAVG: 252500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252500 0 0 0 0 0 0 0 0 0 TIMING: 252500 CPU: 1006.2, 0.00397464/step Wall: 1006.2, 0.00397464/step, 0.273257 hours remaining, 109.511719 MB of memory in use. ENERGY: 252500 658.9472 1873.4403 2054.6479 117.5308 -15.2262 -1035.8481 152.3816 0.0000 2677.0268 6482.9003 295.6851 3805.8735 6513.1077 300.0364 PRESSURE: 252600 0 0 0 0 0 0 0 0 0 GPRESSURE: 252600 0 0 0 0 0 0 0 0 0 PRESSAVG: 252600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252600 0 0 0 0 0 0 0 0 0 TIMING: 252600 CPU: 1006.6, 0.00397544/step Wall: 1006.6, 0.00397544/step, 0.273201 hours remaining, 109.511719 MB of memory in use. ENERGY: 252600 686.2264 1860.5248 2031.0237 107.0305 -14.2474 -1036.7752 177.1891 0.0000 2654.4058 6465.3778 293.1865 3810.9719 6494.7629 299.2208 PRESSURE: 252700 0 0 0 0 0 0 0 0 0 GPRESSURE: 252700 0 0 0 0 0 0 0 0 0 PRESSAVG: 252700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252700 0 0 0 0 0 0 0 0 0 TIMING: 252700 CPU: 1007, 0.00399048/step Wall: 1007, 0.00399047/step, 0.274123 hours remaining, 109.511719 MB of memory in use. ENERGY: 252700 663.8908 1874.5529 2039.8473 119.8745 -14.8221 -1054.8132 165.1148 0.0000 2707.1792 6500.8241 299.0155 3793.6450 6531.4236 299.7149 PRESSURE: 252800 0 0 0 0 0 0 0 0 0 GPRESSURE: 252800 0 0 0 0 0 0 0 0 0 PRESSAVG: 252800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252800 0 0 0 0 0 0 0 0 0 TIMING: 252800 CPU: 1007.4, 0.00397609/step Wall: 1007.4, 0.0039761/step, 0.273025 hours remaining, 109.511719 MB of memory in use. ENERGY: 252800 644.1058 1890.8459 2027.8369 106.8262 -15.5509 -1067.3060 166.0751 0.0000 2723.4736 6476.3067 300.8152 3752.8331 6509.4194 301.4889 PRESSURE: 252900 0 0 0 0 0 0 0 0 0 GPRESSURE: 252900 0 0 0 0 0 0 0 0 0 PRESSAVG: 252900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 252900 0 0 0 0 0 0 0 0 0 TIMING: 252900 CPU: 1007.79, 0.00398879/step Wall: 1007.79, 0.00398879/step, 0.273786 hours remaining, 109.511719 MB of memory in use. ENERGY: 252900 634.4585 1900.0188 2000.9016 110.1819 -15.9628 -1052.1804 166.0357 0.0000 2683.8776 6427.3309 296.4418 3743.4533 6459.6071 297.8550 PRESSURE: 253000 0 0 0 0 0 0 0 0 0 GPRESSURE: 253000 0 0 0 0 0 0 0 0 0 PRESSAVG: 253000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253000 0 0 0 0 0 0 0 0 0 TIMING: 253000 CPU: 1008.19, 0.00397366/step Wall: 1008.19, 0.00397366/step, 0.272637 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 253000 636.1885 1930.4637 1994.4885 106.2671 -15.2528 -1048.8162 173.6176 0.0000 2708.3625 6485.3190 299.1462 3776.9565 6516.8868 298.2882 PRESSURE: 253100 0 0 0 0 0 0 0 0 0 GPRESSURE: 253100 0 0 0 0 0 0 0 0 0 PRESSAVG: 253100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253100 0 0 0 0 0 0 0 0 0 TIMING: 253100 CPU: 1008.59, 0.00397746/step Wall: 1008.59, 0.00397746/step, 0.272788 hours remaining, 109.511719 MB of memory in use. ENERGY: 253100 661.6319 1874.6175 2022.6448 99.7581 -14.8862 -1061.0175 142.9778 0.0000 2747.4415 6473.1679 303.4626 3725.7265 6507.2475 299.9549 PRESSURE: 253200 0 0 0 0 0 0 0 0 0 GPRESSURE: 253200 0 0 0 0 0 0 0 0 0 PRESSAVG: 253200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253200 0 0 0 0 0 0 0 0 0 TIMING: 253200 CPU: 1008.99, 0.00399142/step Wall: 1008.99, 0.00399142/step, 0.273634 hours remaining, 109.511719 MB of memory in use. ENERGY: 253200 683.1591 1884.6967 2008.1149 104.0025 -14.2874 -1047.4258 161.3487 0.0000 2721.0033 6500.6121 300.5424 3779.6088 6531.1213 300.6876 PRESSURE: 253300 0 0 0 0 0 0 0 0 0 GPRESSURE: 253300 0 0 0 0 0 0 0 0 0 PRESSAVG: 253300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253300 0 0 0 0 0 0 0 0 0 TIMING: 253300 CPU: 1009.39, 0.00397584/step Wall: 1009.39, 0.00397584/step, 0.272455 hours remaining, 109.511719 MB of memory in use. ENERGY: 253300 626.7540 1869.9870 2008.8555 103.5206 -15.0842 -1036.6081 173.9843 0.0000 2754.8132 6486.2222 304.2768 3731.4090 6521.7442 300.0712 PRESSURE: 253400 0 0 0 0 0 0 0 0 0 GPRESSURE: 253400 0 0 0 0 0 0 0 0 0 PRESSAVG: 253400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253400 0 0 0 0 0 0 0 0 0 TIMING: 253400 CPU: 1009.79, 0.00398519/step Wall: 1009.79, 0.00398519/step, 0.272986 hours remaining, 109.511719 MB of memory in use. ENERGY: 253400 648.7929 1857.1435 2022.6512 93.9208 -14.2848 -1019.5425 164.9010 0.0000 2704.3916 6457.9735 298.7076 3753.5820 6492.8086 299.7883 PRESSURE: 253500 0 0 0 0 0 0 0 0 0 GPRESSURE: 253500 0 0 0 0 0 0 0 0 0 PRESSAVG: 253500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253500 0 0 0 0 0 0 0 0 0 TIMING: 253500 CPU: 1010.18, 0.00398028/step Wall: 1010.18, 0.00398028/step, 0.272539 hours remaining, 109.511719 MB of memory in use. ENERGY: 253500 659.1968 1850.8334 2018.7577 109.7518 -14.6289 -1031.3821 151.0831 0.0000 2756.7937 6500.4054 304.4955 3743.6118 6534.7967 299.4152 PRESSURE: 253600 0 0 0 0 0 0 0 0 0 GPRESSURE: 253600 0 0 0 0 0 0 0 0 0 PRESSAVG: 253600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253600 0 0 0 0 0 0 0 0 0 TIMING: 253600 CPU: 1010.58, 0.00397571/step Wall: 1010.58, 0.00397571/step, 0.272115 hours remaining, 109.511719 MB of memory in use. ENERGY: 253600 682.8880 1912.4187 1996.1135 99.6646 -13.8754 -1038.0627 163.7503 0.0000 2711.6387 6514.5357 299.5081 3802.8970 6544.6861 300.6315 PRESSURE: 253700 0 0 0 0 0 0 0 0 0 GPRESSURE: 253700 0 0 0 0 0 0 0 0 0 PRESSAVG: 253700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253700 0 0 0 0 0 0 0 0 0 TIMING: 253700 CPU: 1010.98, 0.00398795/step Wall: 1010.98, 0.00398794/step, 0.272842 hours remaining, 109.511719 MB of memory in use. ENERGY: 253700 691.4906 1912.2853 2006.8420 102.4754 -14.2637 -1066.1452 169.7628 0.0000 2724.1572 6526.6044 300.8907 3802.4472 6558.6509 302.2103 PRESSURE: 253800 0 0 0 0 0 0 0 0 0 GPRESSURE: 253800 0 0 0 0 0 0 0 0 0 PRESSAVG: 253800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253800 0 0 0 0 0 0 0 0 0 TIMING: 253800 CPU: 1011.38, 0.00397842/step Wall: 1011.38, 0.00397843/step, 0.27208 hours remaining, 109.511719 MB of memory in use. ENERGY: 253800 672.6558 1816.4541 2042.8740 108.7241 -14.3606 -1052.1760 167.9932 0.0000 2738.1817 6480.3463 302.4398 3742.1646 6517.3588 301.1147 PRESSURE: 253900 0 0 0 0 0 0 0 0 0 GPRESSURE: 253900 0 0 0 0 0 0 0 0 0 PRESSAVG: 253900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 253900 0 0 0 0 0 0 0 0 0 TIMING: 253900 CPU: 1011.77, 0.00397686/step Wall: 1011.77, 0.00397686/step, 0.271863 hours remaining, 109.511719 MB of memory in use. ENERGY: 253900 692.6707 1872.9438 2019.2670 98.1848 -13.7388 -1026.8021 150.6835 0.0000 2721.9824 6515.1913 300.6505 3793.2089 6550.0064 302.3421 PRESSURE: 254000 0 0 0 0 0 0 0 0 0 GPRESSURE: 254000 0 0 0 0 0 0 0 0 0 PRESSAVG: 254000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254000 0 0 0 0 0 0 0 0 0 TIMING: 254000 CPU: 1012.17, 0.003983/step Wall: 1012.17, 0.003983/step, 0.272172 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 254000 648.6267 1877.3802 2006.9879 100.9962 -14.5034 -1039.4334 154.3432 0.0000 2748.2136 6482.6110 303.5478 3734.3974 6516.6206 299.5788 PRESSURE: 254100 0 0 0 0 0 0 0 0 0 GPRESSURE: 254100 0 0 0 0 0 0 0 0 0 PRESSAVG: 254100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254100 0 0 0 0 0 0 0 0 0 TIMING: 254100 CPU: 1012.57, 0.00397611/step Wall: 1012.57, 0.00397611/step, 0.27159 hours remaining, 109.511719 MB of memory in use. ENERGY: 254100 681.2732 1870.5593 2030.5075 102.6956 -15.3534 -1036.3895 163.0950 0.0000 2685.4371 6481.8248 296.6140 3796.3877 6514.5610 298.0418 PRESSURE: 254200 0 0 0 0 0 0 0 0 0 GPRESSURE: 254200 0 0 0 0 0 0 0 0 0 PRESSAVG: 254200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254200 0 0 0 0 0 0 0 0 0 TIMING: 254200 CPU: 1012.97, 0.00398776/step Wall: 1012.97, 0.00398776/step, 0.272275 hours remaining, 109.511719 MB of memory in use. ENERGY: 254200 693.9169 1875.0600 2010.7660 101.0275 -14.9707 -1039.6932 156.0181 0.0000 2735.3688 6517.4934 302.1291 3782.1246 6549.9876 302.5294 PRESSURE: 254300 0 0 0 0 0 0 0 0 0 GPRESSURE: 254300 0 0 0 0 0 0 0 0 0 PRESSAVG: 254300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254300 0 0 0 0 0 0 0 0 0 TIMING: 254300 CPU: 1013.37, 0.00397806/step Wall: 1013.37, 0.00397806/step, 0.271503 hours remaining, 109.511719 MB of memory in use. ENERGY: 254300 704.5168 1861.0856 2011.8524 97.5959 -15.0258 -1007.9678 170.8567 0.0000 2706.2946 6529.2084 298.9178 3822.9139 6563.6565 301.1052 PRESSURE: 254400 0 0 0 0 0 0 0 0 0 GPRESSURE: 254400 0 0 0 0 0 0 0 0 0 PRESSAVG: 254400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254400 0 0 0 0 0 0 0 0 0 TIMING: 254400 CPU: 1013.77, 0.00397699/step Wall: 1013.77, 0.00397699/step, 0.271319 hours remaining, 109.511719 MB of memory in use. ENERGY: 254400 654.4339 1922.7171 2024.9439 100.8315 -14.1950 -1025.3977 165.5261 0.0000 2703.4194 6532.2791 298.6002 3828.8598 6565.0049 302.6888 PRESSURE: 254500 0 0 0 0 0 0 0 0 0 GPRESSURE: 254500 0 0 0 0 0 0 0 0 0 PRESSAVG: 254500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254500 0 0 0 0 0 0 0 0 0 TIMING: 254500 CPU: 1014.16, 0.00398753/step Wall: 1014.16, 0.00398753/step, 0.271927 hours remaining, 109.511719 MB of memory in use. ENERGY: 254500 656.9987 1933.1647 1991.2352 101.8276 -15.3636 -1054.3842 164.1658 0.0000 2694.5055 6472.1497 297.6156 3777.6442 6506.3004 300.5862 PRESSURE: 254600 0 0 0 0 0 0 0 0 0 GPRESSURE: 254600 0 0 0 0 0 0 0 0 0 PRESSAVG: 254600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254600 0 0 0 0 0 0 0 0 0 TIMING: 254600 CPU: 1014.56, 0.0039763/step Wall: 1014.56, 0.0039763/step, 0.271051 hours remaining, 109.511719 MB of memory in use. ENERGY: 254600 666.3582 1945.3627 2028.8170 92.2887 -15.0078 -1068.8988 176.2938 0.0000 2702.5242 6527.7379 298.5013 3825.2138 6562.5904 300.8369 PRESSURE: 254700 0 0 0 0 0 0 0 0 0 GPRESSURE: 254700 0 0 0 0 0 0 0 0 0 PRESSAVG: 254700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254700 0 0 0 0 0 0 0 0 0 TIMING: 254700 CPU: 1014.96, 0.00398561/step Wall: 1014.96, 0.00398561/step, 0.271575 hours remaining, 109.511719 MB of memory in use. ENERGY: 254700 636.7342 1876.8138 2008.6746 108.5713 -15.3162 -1022.4278 168.8848 0.0000 2748.5637 6510.4984 303.5865 3761.9347 6545.7969 302.7630 PRESSURE: 254800 0 0 0 0 0 0 0 0 0 GPRESSURE: 254800 0 0 0 0 0 0 0 0 0 PRESSAVG: 254800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254800 0 0 0 0 0 0 0 0 0 TIMING: 254800 CPU: 1015.36, 0.00397787/step Wall: 1015.36, 0.00397787/step, 0.270937 hours remaining, 109.511719 MB of memory in use. ENERGY: 254800 651.5369 1935.9384 2021.4346 99.7146 -14.9391 -1035.9480 159.0147 0.0000 2656.7753 6473.5274 293.4482 3816.7520 6507.6702 299.7751 PRESSURE: 254900 0 0 0 0 0 0 0 0 0 GPRESSURE: 254900 0 0 0 0 0 0 0 0 0 PRESSAVG: 254900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 254900 0 0 0 0 0 0 0 0 0 TIMING: 254900 CPU: 1015.76, 0.00397529/step Wall: 1015.76, 0.00397529/step, 0.270651 hours remaining, 109.511719 MB of memory in use. ENERGY: 254900 625.5638 1875.9019 2016.9654 99.3365 -14.4942 -1034.0262 164.1469 0.0000 2704.5294 6437.9234 298.7228 3733.3940 6473.4143 298.5491 PRESSURE: 255000 0 0 0 0 0 0 0 0 0 GPRESSURE: 255000 0 0 0 0 0 0 0 0 0 PRESSAVG: 255000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255000 0 0 0 0 0 0 0 0 0 TIMING: 255000 CPU: 1016.15, 0.00398865/step Wall: 1016.15, 0.00398864/step, 0.271449 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 255000 695.4669 1891.4245 1996.6925 98.1764 -14.7696 -1053.0703 148.9787 0.0000 2737.6568 6500.5559 302.3818 3762.8991 6532.8756 298.3924 PRESSURE: 255100 0 0 0 0 0 0 0 0 0 GPRESSURE: 255100 0 0 0 0 0 0 0 0 0 PRESSAVG: 255100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255100 0 0 0 0 0 0 0 0 0 TIMING: 255100 CPU: 1016.55, 0.00397786/step Wall: 1016.55, 0.00397787/step, 0.270606 hours remaining, 109.511719 MB of memory in use. ENERGY: 255100 647.1221 1916.2071 2010.2611 98.1215 -15.6936 -1052.0678 163.7320 0.0000 2750.0894 6517.7720 303.7550 3767.6825 6551.8413 301.0739 PRESSURE: 255200 0 0 0 0 0 0 0 0 0 GPRESSURE: 255200 0 0 0 0 0 0 0 0 0 PRESSAVG: 255200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255200 0 0 0 0 0 0 0 0 0 TIMING: 255200 CPU: 1016.95, 0.00398876/step Wall: 1016.95, 0.00398876/step, 0.271236 hours remaining, 109.511719 MB of memory in use. ENERGY: 255200 659.9564 1871.5905 2002.6346 97.4210 -14.9866 -1034.5964 162.0627 0.0000 2772.7332 6516.8156 306.2561 3744.0824 6552.9064 301.6150 PRESSURE: 255300 0 0 0 0 0 0 0 0 0 GPRESSURE: 255300 0 0 0 0 0 0 0 0 0 PRESSAVG: 255300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255300 0 0 0 0 0 0 0 0 0 TIMING: 255300 CPU: 1017.35, 0.00397542/step Wall: 1017.35, 0.00397542/step, 0.270218 hours remaining, 109.511719 MB of memory in use. ENERGY: 255300 688.2789 1934.1924 2012.2359 96.1130 -15.4435 -1085.5771 149.7487 0.0000 2750.6676 6530.2158 303.8189 3779.5482 6562.6804 303.5687 PRESSURE: 255400 0 0 0 0 0 0 0 0 0 GPRESSURE: 255400 0 0 0 0 0 0 0 0 0 PRESSAVG: 255400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255400 0 0 0 0 0 0 0 0 0 TIMING: 255400 CPU: 1017.75, 0.00397713/step Wall: 1017.75, 0.00397713/step, 0.270224 hours remaining, 109.511719 MB of memory in use. ENERGY: 255400 680.5686 1886.0963 2017.1660 97.6876 -14.9614 -1047.3720 164.6488 0.0000 2749.5679 6533.4018 303.6974 3783.8339 6566.8838 302.9375 PRESSURE: 255500 0 0 0 0 0 0 0 0 0 GPRESSURE: 255500 0 0 0 0 0 0 0 0 0 PRESSAVG: 255500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255500 0 0 0 0 0 0 0 0 0 TIMING: 255500 CPU: 1018.14, 0.00398765/step Wall: 1018.14, 0.00398765/step, 0.270828 hours remaining, 109.511719 MB of memory in use. ENERGY: 255500 660.1063 1933.8809 2026.2016 98.4968 -14.2382 -1076.5976 157.9495 0.0000 2713.6976 6499.4968 299.7355 3785.7992 6530.1187 302.8048 PRESSURE: 255600 0 0 0 0 0 0 0 0 0 GPRESSURE: 255600 0 0 0 0 0 0 0 0 0 PRESSAVG: 255600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255600 0 0 0 0 0 0 0 0 0 TIMING: 255600 CPU: 1018.54, 0.00397487/step Wall: 1018.54, 0.00397487/step, 0.269849 hours remaining, 109.511719 MB of memory in use. ENERGY: 255600 686.3539 1902.9034 2036.9116 102.4531 -14.7732 -1033.4630 155.9719 0.0000 2642.6891 6479.0468 291.8924 3836.3578 6512.0500 300.3047 PRESSURE: 255700 0 0 0 0 0 0 0 0 0 GPRESSURE: 255700 0 0 0 0 0 0 0 0 0 PRESSAVG: 255700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255700 0 0 0 0 0 0 0 0 0 TIMING: 255700 CPU: 1018.94, 0.00398913/step Wall: 1018.94, 0.00398913/step, 0.270707 hours remaining, 109.511719 MB of memory in use. ENERGY: 255700 646.4670 1877.5166 2001.0423 101.0931 -15.4698 -1064.4401 179.8262 0.0000 2711.0531 6437.0884 299.4434 3726.0353 6469.0361 298.0239 PRESSURE: 255800 0 0 0 0 0 0 0 0 0 GPRESSURE: 255800 0 0 0 0 0 0 0 0 0 PRESSAVG: 255800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255800 0 0 0 0 0 0 0 0 0 TIMING: 255800 CPU: 1019.34, 0.00397926/step Wall: 1019.34, 0.00397926/step, 0.269926 hours remaining, 109.511719 MB of memory in use. ENERGY: 255800 642.4874 1840.8517 2016.2138 110.0327 -15.1004 -1036.2652 142.7666 0.0000 2701.2905 6402.2771 298.3651 3700.9866 6436.8438 295.3277 PRESSURE: 255900 0 0 0 0 0 0 0 0 0 GPRESSURE: 255900 0 0 0 0 0 0 0 0 0 PRESSAVG: 255900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 255900 0 0 0 0 0 0 0 0 0 TIMING: 255900 CPU: 1019.74, 0.00397528/step Wall: 1019.74, 0.00397528/step, 0.269546 hours remaining, 109.511719 MB of memory in use. ENERGY: 255900 662.0481 1925.3307 2003.5078 97.6125 -16.4710 -1100.0376 155.2141 0.0000 2706.0782 6433.2829 298.8939 3727.2046 6464.8233 297.6503 PRESSURE: 256000 0 0 0 0 0 0 0 0 0 GPRESSURE: 256000 0 0 0 0 0 0 0 0 0 PRESSAVG: 256000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256000 0 0 0 0 0 0 0 0 0 TIMING: 256000 CPU: 1020.14, 0.00398796/step Wall: 1020.14, 0.00398796/step, 0.270295 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 256000 645.0225 1885.9405 2011.1244 99.1027 -14.9539 -1043.2251 166.7664 0.0000 2660.1005 6409.8778 293.8155 3749.7773 6444.5612 297.0591 PRESSURE: 256100 0 0 0 0 0 0 0 0 0 GPRESSURE: 256100 0 0 0 0 0 0 0 0 0 PRESSAVG: 256100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256100 0 0 0 0 0 0 0 0 0 TIMING: 256100 CPU: 1020.53, 0.0039773/step Wall: 1020.53, 0.0039773/step, 0.269462 hours remaining, 109.511719 MB of memory in use. ENERGY: 256100 648.1329 1887.1908 2018.8000 102.8626 -14.9042 -1052.8589 154.6976 0.0000 2681.7784 6425.6990 296.2099 3743.9206 6460.4012 297.4355 PRESSURE: 256200 0 0 0 0 0 0 0 0 0 GPRESSURE: 256200 0 0 0 0 0 0 0 0 0 PRESSAVG: 256200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256200 0 0 0 0 0 0 0 0 0 TIMING: 256200 CPU: 1020.93, 0.00398954/step Wall: 1020.93, 0.00398954/step, 0.27018 hours remaining, 109.511719 MB of memory in use. ENERGY: 256200 646.1708 1889.5456 2010.2205 97.9140 -14.1918 -1013.1007 160.3814 0.0000 2731.3174 6508.2572 301.6816 3776.9398 6542.9927 298.8224 LDB: ============= START OF LOAD BALANCING ============== 1023.71 LDB: ============== END OF LOAD BALANCING =============== 1023.71 LDB: =============== DONE WITH MIGRATION ================ 1023.71 PRESSURE: 256300 0 0 0 0 0 0 0 0 0 GPRESSURE: 256300 0 0 0 0 0 0 0 0 0 PRESSAVG: 256300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256300 0 0 0 0 0 0 0 0 0 TIMING: 256300 CPU: 1021.33, 0.00397826/step Wall: 1021.33, 0.00397826/step, 0.269306 hours remaining, 109.511719 MB of memory in use. ENERGY: 256300 666.0275 1913.0836 2026.9352 103.0480 -14.2560 -1041.5968 166.6300 0.0000 2694.0852 6513.9567 297.5692 3819.8715 6543.3831 302.3118 LDB: ============= START OF LOAD BALANCING ============== 1024.11 LDB: ============== END OF LOAD BALANCING =============== 1024.11 LDB: =============== DONE WITH MIGRATION ================ 1024.11 PRESSURE: 256400 0 0 0 0 0 0 0 0 0 GPRESSURE: 256400 0 0 0 0 0 0 0 0 0 PRESSAVG: 256400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256400 0 0 0 0 0 0 0 0 0 TIMING: 256400 CPU: 1021.73, 0.00398091/step Wall: 1021.73, 0.00398091/step, 0.269375 hours remaining, 109.511719 MB of memory in use. ENERGY: 256400 667.6404 1901.8215 2012.4516 112.8298 -14.2493 -1035.8397 155.8695 0.0000 2705.2476 6505.7713 298.8021 3800.5237 6539.8927 300.8428 PRESSURE: 256500 0 0 0 0 0 0 0 0 0 GPRESSURE: 256500 0 0 0 0 0 0 0 0 0 PRESSAVG: 256500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256500 0 0 0 0 0 0 0 0 0 TIMING: 256500 CPU: 1022.13, 0.0039859/step Wall: 1022.13, 0.0039859/step, 0.269602 hours remaining, 109.511719 MB of memory in use. ENERGY: 256500 659.9293 1899.6302 2040.4926 110.7801 -15.5793 -1039.2337 171.1489 0.0000 2664.3400 6491.5081 294.2838 3827.1682 6523.0725 300.0374 PRESSURE: 256600 0 0 0 0 0 0 0 0 0 GPRESSURE: 256600 0 0 0 0 0 0 0 0 0 PRESSAVG: 256600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256600 0 0 0 0 0 0 0 0 0 TIMING: 256600 CPU: 1022.52, 0.0039744/step Wall: 1022.52, 0.0039744/step, 0.268714 hours remaining, 109.511719 MB of memory in use. ENERGY: 256600 654.0449 1949.1026 2011.6203 97.5293 -15.6732 -1054.8616 168.1283 0.0000 2709.4489 6519.3395 299.2662 3809.8906 6553.7307 301.3582 PRESSURE: 256700 0 0 0 0 0 0 0 0 0 GPRESSURE: 256700 0 0 0 0 0 0 0 0 0 PRESSAVG: 256700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256700 0 0 0 0 0 0 0 0 0 TIMING: 256700 CPU: 1022.92, 0.00398896/step Wall: 1022.92, 0.00398896/step, 0.269587 hours remaining, 109.511719 MB of memory in use. ENERGY: 256700 666.2188 1922.2424 2027.7546 106.3491 -14.3018 -1081.2344 168.0695 0.0000 2761.4631 6556.5614 305.0113 3795.0983 6589.5984 304.8970 PRESSURE: 256800 0 0 0 0 0 0 0 0 0 GPRESSURE: 256800 0 0 0 0 0 0 0 0 0 PRESSAVG: 256800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256800 0 0 0 0 0 0 0 0 0 TIMING: 256800 CPU: 1023.32, 0.00397586/step Wall: 1023.32, 0.00397586/step, 0.268592 hours remaining, 109.511719 MB of memory in use. ENERGY: 256800 670.5686 1911.3573 2016.4137 105.7970 -15.2345 -1044.2484 167.5326 0.0000 2709.9699 6522.1562 299.3237 3812.1863 6554.7048 303.2777 PRESSURE: 256900 0 0 0 0 0 0 0 0 0 GPRESSURE: 256900 0 0 0 0 0 0 0 0 0 PRESSAVG: 256900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 256900 0 0 0 0 0 0 0 0 0 TIMING: 256900 CPU: 1023.72, 0.00397507/step Wall: 1023.72, 0.00397507/step, 0.268428 hours remaining, 109.511719 MB of memory in use. ENERGY: 256900 627.2868 1929.9426 2025.0468 102.7779 -15.2239 -1013.1672 158.1957 0.0000 2716.3189 6531.1777 300.0250 3814.8588 6566.3015 302.5918 PRESSURE: 257000 0 0 0 0 0 0 0 0 0 GPRESSURE: 257000 0 0 0 0 0 0 0 0 0 PRESSAVG: 257000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257000 0 0 0 0 0 0 0 0 0 TIMING: 257000 CPU: 1024.12, 0.00398944/step Wall: 1024.12, 0.00398944/step, 0.269287 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 257000 697.7220 1902.9289 2017.0461 103.7557 -14.3032 -1033.5601 154.1058 0.0000 2697.8736 6525.5688 297.9877 3827.6952 6554.2652 302.7972 PRESSURE: 257100 0 0 0 0 0 0 0 0 0 GPRESSURE: 257100 0 0 0 0 0 0 0 0 0 PRESSAVG: 257100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257100 0 0 0 0 0 0 0 0 0 TIMING: 257100 CPU: 1024.51, 0.00397308/step Wall: 1024.51, 0.00397308/step, 0.268073 hours remaining, 109.511719 MB of memory in use. ENERGY: 257100 680.0853 1931.6375 2023.0350 103.5065 -15.4812 -1099.8560 165.1971 0.0000 2711.5952 6499.7194 299.5032 3788.1242 6531.8347 301.9669 PRESSURE: 257200 0 0 0 0 0 0 0 0 0 GPRESSURE: 257200 0 0 0 0 0 0 0 0 0 PRESSAVG: 257200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257200 0 0 0 0 0 0 0 0 0 TIMING: 257200 CPU: 1024.91, 0.003987/step Wall: 1024.91, 0.003987/step, 0.268901 hours remaining, 109.511719 MB of memory in use. ENERGY: 257200 616.2816 1882.3185 1974.0778 113.1897 -15.1076 -1008.0537 142.6199 0.0000 2776.6118 6481.9381 306.6845 3705.3263 6513.4475 301.6707 PRESSURE: 257300 0 0 0 0 0 0 0 0 0 GPRESSURE: 257300 0 0 0 0 0 0 0 0 0 PRESSAVG: 257300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257300 0 0 0 0 0 0 0 0 0 TIMING: 257300 CPU: 1025.31, 0.00397505/step Wall: 1025.31, 0.00397505/step, 0.267984 hours remaining, 109.511719 MB of memory in use. ENERGY: 257300 675.8601 1928.9684 2003.5844 107.1738 -14.7166 -1080.7992 155.4298 0.0000 2700.3616 6475.8624 298.2625 3775.5007 6506.2491 300.4401 PRESSURE: 257400 0 0 0 0 0 0 0 0 0 GPRESSURE: 257400 0 0 0 0 0 0 0 0 0 PRESSAVG: 257400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257400 0 0 0 0 0 0 0 0 0 TIMING: 257400 CPU: 1025.71, 0.00397306/step Wall: 1025.71, 0.00397306/step, 0.26774 hours remaining, 109.511719 MB of memory in use. ENERGY: 257400 651.3051 1890.8032 2004.1692 123.5091 -15.1213 -1049.7456 153.5105 0.0000 2728.0930 6486.5232 301.3255 3758.4302 6517.3188 299.7924 PRESSURE: 257500 0 0 0 0 0 0 0 0 0 GPRESSURE: 257500 0 0 0 0 0 0 0 0 0 PRESSAVG: 257500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257500 0 0 0 0 0 0 0 0 0 TIMING: 257500 CPU: 1026.11, 0.0039893/step Wall: 1026.11, 0.0039893/step, 0.268724 hours remaining, 109.511719 MB of memory in use. ENERGY: 257500 639.4475 1913.9939 2037.7345 112.2196 -14.7111 -1077.7964 176.7553 0.0000 2693.3716 6481.0150 297.4904 3787.6434 6512.2265 301.3832 PRESSURE: 257600 0 0 0 0 0 0 0 0 0 GPRESSURE: 257600 0 0 0 0 0 0 0 0 0 PRESSAVG: 257600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257600 0 0 0 0 0 0 0 0 0 TIMING: 257600 CPU: 1026.5, 0.00397481/step Wall: 1026.5, 0.00397481/step, 0.267637 hours remaining, 109.511719 MB of memory in use. ENERGY: 257600 637.1595 1870.2729 1985.8831 98.4941 -16.3700 -1017.0176 159.1740 0.0000 2765.0528 6482.6488 305.4078 3717.5960 6520.0480 300.6774 PRESSURE: 257700 0 0 0 0 0 0 0 0 0 GPRESSURE: 257700 0 0 0 0 0 0 0 0 0 PRESSAVG: 257700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257700 0 0 0 0 0 0 0 0 0 TIMING: 257700 CPU: 1026.9, 0.00399035/step Wall: 1026.9, 0.00399035/step, 0.268573 hours remaining, 109.511719 MB of memory in use. ENERGY: 257700 652.5354 1868.3069 2009.7921 113.9048 -15.9001 -1046.0386 150.4462 0.0000 2757.6312 6490.6779 304.5881 3733.0467 6526.0493 300.7785 PRESSURE: 257800 0 0 0 0 0 0 0 0 0 GPRESSURE: 257800 0 0 0 0 0 0 0 0 0 PRESSAVG: 257800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257800 0 0 0 0 0 0 0 0 0 TIMING: 257800 CPU: 1027.3, 0.00397837/step Wall: 1027.3, 0.00397837/step, 0.267656 hours remaining, 109.511719 MB of memory in use. ENERGY: 257800 668.8982 1855.2027 2003.9361 111.0744 -13.9172 -1016.5563 159.8491 0.0000 2749.4572 6517.9443 303.6852 3768.4871 6549.4289 301.8316 PRESSURE: 257900 0 0 0 0 0 0 0 0 0 GPRESSURE: 257900 0 0 0 0 0 0 0 0 0 PRESSAVG: 257900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 257900 0 0 0 0 0 0 0 0 0 TIMING: 257900 CPU: 1027.7, 0.00397718/step Wall: 1027.7, 0.00397718/step, 0.267465 hours remaining, 109.511719 MB of memory in use. ENERGY: 257900 666.6383 1914.3612 2037.3262 110.6951 -14.1601 -1088.9169 170.1034 0.0000 2684.8299 6480.8770 296.5469 3796.0471 6515.5425 299.4134 PRESSURE: 258000 0 0 0 0 0 0 0 0 0 GPRESSURE: 258000 0 0 0 0 0 0 0 0 0 PRESSAVG: 258000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258000 0 0 0 0 0 0 0 0 0 TIMING: 258000 CPU: 1028.1, 0.00399128/step Wall: 1028.1, 0.00399128/step, 0.268303 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 258000 652.6834 1835.0565 2013.6510 119.9954 -13.9096 -1028.7816 160.1505 0.0000 2778.6419 6517.4875 306.9087 3738.8455 6553.5155 300.8377 PRESSURE: 258100 0 0 0 0 0 0 0 0 0 GPRESSURE: 258100 0 0 0 0 0 0 0 0 0 PRESSAVG: 258100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258100 0 0 0 0 0 0 0 0 0 TIMING: 258100 CPU: 1028.5, 0.00397626/step Wall: 1028.5, 0.00397626/step, 0.267183 hours remaining, 109.511719 MB of memory in use. ENERGY: 258100 677.1801 1866.8158 2030.5196 103.4243 -14.6796 -1050.4315 156.8401 0.0000 2750.1499 6519.8188 303.7617 3769.6689 6554.9922 302.7777 PRESSURE: 258200 0 0 0 0 0 0 0 0 0 GPRESSURE: 258200 0 0 0 0 0 0 0 0 0 PRESSAVG: 258200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258200 0 0 0 0 0 0 0 0 0 TIMING: 258200 CPU: 1028.89, 0.00398758/step Wall: 1028.89, 0.00398758/step, 0.267832 hours remaining, 109.511719 MB of memory in use. ENERGY: 258200 655.8911 1892.1718 2000.9413 116.5245 -14.2715 -1007.9980 165.9928 0.0000 2729.0336 6538.2856 301.4294 3809.2520 6570.1192 302.6893 PRESSURE: 258300 0 0 0 0 0 0 0 0 0 GPRESSURE: 258300 0 0 0 0 0 0 0 0 0 PRESSAVG: 258300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258300 0 0 0 0 0 0 0 0 0 TIMING: 258300 CPU: 1029.29, 0.00397512/step Wall: 1029.29, 0.00397512/step, 0.266885 hours remaining, 109.511719 MB of memory in use. ENERGY: 258300 659.0222 1913.4581 1999.6760 110.5567 -16.1204 -1022.6684 155.3848 0.0000 2715.6204 6514.9293 299.9478 3799.3089 6547.7073 302.2276 PRESSURE: 258400 0 0 0 0 0 0 0 0 0 GPRESSURE: 258400 0 0 0 0 0 0 0 0 0 PRESSAVG: 258400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258400 0 0 0 0 0 0 0 0 0 TIMING: 258400 CPU: 1029.69, 0.00397476/step Wall: 1029.69, 0.00397476/step, 0.266751 hours remaining, 109.511719 MB of memory in use. ENERGY: 258400 669.2789 1871.3738 2011.3300 105.5729 -15.5482 -1046.8435 166.6128 0.0000 2751.9446 6513.7212 303.9600 3761.7766 6547.1337 302.8453 PRESSURE: 258500 0 0 0 0 0 0 0 0 0 GPRESSURE: 258500 0 0 0 0 0 0 0 0 0 PRESSAVG: 258500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258500 0 0 0 0 0 0 0 0 0 TIMING: 258500 CPU: 1030.09, 0.00398716/step Wall: 1030.09, 0.00398716/step, 0.267472 hours remaining, 109.511719 MB of memory in use. ENERGY: 258500 608.1757 1896.0522 2017.4584 108.3737 -16.2826 -1063.2805 152.8903 0.0000 2762.2735 6465.6607 305.1008 3703.3872 6499.7763 299.7157 PRESSURE: 258600 0 0 0 0 0 0 0 0 0 GPRESSURE: 258600 0 0 0 0 0 0 0 0 0 PRESSAVG: 258600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258600 0 0 0 0 0 0 0 0 0 TIMING: 258600 CPU: 1030.49, 0.00397737/step Wall: 1030.49, 0.00397737/step, 0.266705 hours remaining, 109.511719 MB of memory in use. ENERGY: 258600 675.2408 1909.9247 2003.3360 113.8053 -15.0168 -1064.4541 150.9303 0.0000 2702.9321 6476.6983 298.5464 3773.7662 6508.1259 300.0302 PRESSURE: 258700 0 0 0 0 0 0 0 0 0 GPRESSURE: 258700 0 0 0 0 0 0 0 0 0 PRESSAVG: 258700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258700 0 0 0 0 0 0 0 0 0 TIMING: 258700 CPU: 1030.89, 0.003997/step Wall: 1030.89, 0.003997/step, 0.26791 hours remaining, 109.511719 MB of memory in use. ENERGY: 258700 642.8498 1874.8296 2024.4644 123.1535 -14.7745 -1047.7332 157.5774 0.0000 2683.1857 6443.5527 296.3653 3760.3670 6474.4536 299.3005 PRESSURE: 258800 0 0 0 0 0 0 0 0 0 GPRESSURE: 258800 0 0 0 0 0 0 0 0 0 PRESSAVG: 258800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258800 0 0 0 0 0 0 0 0 0 TIMING: 258800 CPU: 1031.28, 0.00399168/step Wall: 1031.28, 0.00399168/step, 0.267442 hours remaining, 109.511719 MB of memory in use. ENERGY: 258800 655.8279 1883.9997 1999.1136 98.8230 -15.4509 -1058.2468 160.4816 0.0000 2712.8962 6437.4443 299.6469 3724.5481 6470.8887 298.8164 PRESSURE: 258900 0 0 0 0 0 0 0 0 0 GPRESSURE: 258900 0 0 0 0 0 0 0 0 0 PRESSAVG: 258900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 258900 0 0 0 0 0 0 0 0 0 TIMING: 258900 CPU: 1031.68, 0.00397801/step Wall: 1031.68, 0.00397801/step, 0.266416 hours remaining, 109.511719 MB of memory in use. ENERGY: 258900 652.4511 1896.7636 1988.3348 100.1351 -14.7039 -1034.1051 160.1868 0.0000 2686.4567 6435.5190 296.7266 3749.0623 6468.3794 298.0513 PRESSURE: 259000 0 0 0 0 0 0 0 0 0 GPRESSURE: 259000 0 0 0 0 0 0 0 0 0 PRESSAVG: 259000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259000 0 0 0 0 0 0 0 0 0 TIMING: 259000 CPU: 1032.08, 0.0039864/step Wall: 1032.08, 0.0039864/step, 0.266867 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 259000 695.0420 1865.1014 2011.4010 107.2137 -15.8691 -1030.6397 149.0110 0.0000 2716.2181 6497.4785 300.0139 3781.2604 6527.9840 298.6928 PRESSURE: 259100 0 0 0 0 0 0 0 0 0 GPRESSURE: 259100 0 0 0 0 0 0 0 0 0 PRESSAVG: 259100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259100 0 0 0 0 0 0 0 0 0 TIMING: 259100 CPU: 1032.48, 0.003983/step Wall: 1032.48, 0.003983/step, 0.266529 hours remaining, 109.511719 MB of memory in use. ENERGY: 259100 625.9052 1932.4553 2035.2028 107.5447 -15.0420 -1087.5893 160.8970 0.0000 2728.6141 6487.9877 301.3830 3759.3736 6520.7939 301.6073 PRESSURE: 259200 0 0 0 0 0 0 0 0 0 GPRESSURE: 259200 0 0 0 0 0 0 0 0 0 PRESSAVG: 259200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259200 0 0 0 0 0 0 0 0 0 TIMING: 259200 CPU: 1032.88, 0.00399175/step Wall: 1032.88, 0.00399175/step, 0.267004 hours remaining, 109.511719 MB of memory in use. ENERGY: 259200 632.7844 1893.7006 2000.9757 116.0089 -15.5037 -1054.1433 163.1585 0.0000 2724.8561 6461.8373 300.9679 3736.9812 6494.1300 300.3231 PRESSURE: 259300 0 0 0 0 0 0 0 0 0 GPRESSURE: 259300 0 0 0 0 0 0 0 0 0 PRESSAVG: 259300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259300 0 0 0 0 0 0 0 0 0 TIMING: 259300 CPU: 1033.28, 0.00397682/step Wall: 1033.28, 0.00397682/step, 0.265895 hours remaining, 109.511719 MB of memory in use. ENERGY: 259300 663.6847 1884.4894 2016.8290 105.8844 -15.9413 -1049.0164 168.0827 0.0000 2689.9497 6463.9622 297.1124 3774.0125 6495.8425 297.4999 PRESSURE: 259400 0 0 0 0 0 0 0 0 0 GPRESSURE: 259400 0 0 0 0 0 0 0 0 0 PRESSAVG: 259400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259400 0 0 0 0 0 0 0 0 0 TIMING: 259400 CPU: 1033.67, 0.00397262/step Wall: 1033.67, 0.00397262/step, 0.265503 hours remaining, 109.511719 MB of memory in use. ENERGY: 259400 616.2469 1881.7779 2027.8591 102.2134 -15.8620 -1020.7623 148.7591 0.0000 2731.7407 6471.9727 301.7284 3740.2320 6506.5802 297.7622 PRESSURE: 259500 0 0 0 0 0 0 0 0 0 GPRESSURE: 259500 0 0 0 0 0 0 0 0 0 PRESSAVG: 259500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259500 0 0 0 0 0 0 0 0 0 TIMING: 259500 CPU: 1034.07, 0.00398897/step Wall: 1034.07, 0.00398897/step, 0.266485 hours remaining, 109.511719 MB of memory in use. ENERGY: 259500 665.4249 1892.4369 2016.5012 109.5605 -14.7513 -1093.4186 169.0921 0.0000 2703.2535 6448.0993 298.5819 3744.8458 6480.8343 298.5967 PRESSURE: 259600 0 0 0 0 0 0 0 0 0 GPRESSURE: 259600 0 0 0 0 0 0 0 0 0 PRESSAVG: 259600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259600 0 0 0 0 0 0 0 0 0 TIMING: 259600 CPU: 1034.47, 0.00397661/step Wall: 1034.47, 0.00397661/step, 0.265549 hours remaining, 109.511719 MB of memory in use. ENERGY: 259600 681.8496 1848.1270 2006.6861 99.0224 -16.0660 -1035.3617 156.6664 0.0000 2726.8942 6467.8181 301.1931 3740.9239 6504.7363 299.3645 PRESSURE: 259700 0 0 0 0 0 0 0 0 0 GPRESSURE: 259700 0 0 0 0 0 0 0 0 0 PRESSAVG: 259700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259700 0 0 0 0 0 0 0 0 0 TIMING: 259700 CPU: 1034.87, 0.00398973/step Wall: 1034.87, 0.00398973/step, 0.266314 hours remaining, 109.511719 MB of memory in use. ENERGY: 259700 653.7087 1872.0532 2013.3775 108.5771 -14.4259 -1078.2581 173.3124 0.0000 2702.0302 6430.3750 298.4468 3728.3448 6465.1683 298.4410 PRESSURE: 259800 0 0 0 0 0 0 0 0 0 GPRESSURE: 259800 0 0 0 0 0 0 0 0 0 PRESSAVG: 259800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259800 0 0 0 0 0 0 0 0 0 TIMING: 259800 CPU: 1035.27, 0.00397528/step Wall: 1035.27, 0.00397528/step, 0.265239 hours remaining, 109.511719 MB of memory in use. ENERGY: 259800 636.8931 1881.0982 2002.4016 94.9586 -15.8418 -1069.8302 170.5762 0.0000 2756.9239 6457.1797 304.5099 3700.2558 6492.9194 297.0649 PRESSURE: 259900 0 0 0 0 0 0 0 0 0 GPRESSURE: 259900 0 0 0 0 0 0 0 0 0 PRESSAVG: 259900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 259900 0 0 0 0 0 0 0 0 0 TIMING: 259900 CPU: 1035.66, 0.0039754/step Wall: 1035.66, 0.0039754/step, 0.265137 hours remaining, 109.511719 MB of memory in use. ENERGY: 259900 612.7684 1865.4018 2001.1368 96.2379 -15.1021 -1002.9357 151.9651 0.0000 2729.1650 6438.6371 301.4439 3709.4720 6474.8098 298.0356 PRESSURE: 260000 0 0 0 0 0 0 0 0 0 GPRESSURE: 260000 0 0 0 0 0 0 0 0 0 PRESSAVG: 260000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260000 0 0 0 0 0 0 0 0 0 TIMING: 260000 CPU: 1036.06, 0.003995/step Wall: 1036.06, 0.003995/step, 0.266333 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 260000 632.1450 1873.1462 2019.1116 101.3744 -15.3417 -1025.5827 167.4344 0.0000 2703.0612 6455.3484 298.5606 3752.2872 6489.9791 298.6433 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 260000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 260000 WRITING COORDINATES TO RESTART FILE AT STEP 260000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 260000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 260100 0 0 0 0 0 0 0 0 0 GPRESSURE: 260100 0 0 0 0 0 0 0 0 0 PRESSAVG: 260100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260100 0 0 0 0 0 0 0 0 0 TIMING: 260100 CPU: 1036.5, 0.00437047/step Wall: 1036.5, 0.00437046/step, 0.291243 hours remaining, 109.511719 MB of memory in use. ENERGY: 260100 675.1857 1872.7887 1994.0196 95.2669 -15.2267 -1023.7441 159.1465 0.0000 2675.0501 6432.4867 295.4667 3757.4366 6466.3807 296.0655 PRESSURE: 260200 0 0 0 0 0 0 0 0 0 GPRESSURE: 260200 0 0 0 0 0 0 0 0 0 PRESSAVG: 260200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260200 0 0 0 0 0 0 0 0 0 TIMING: 260200 CPU: 1036.9, 0.00398958/step Wall: 1036.9, 0.00398959/step, 0.265751 hours remaining, 109.511719 MB of memory in use. ENERGY: 260200 616.0313 1872.0195 1975.5732 102.5272 -13.8070 -1035.3742 166.6098 0.0000 2708.2279 6391.8077 299.1313 3683.5798 6425.9722 297.3313 LDB: ============= START OF LOAD BALANCING ============== 1039.68 LDB: ============== END OF LOAD BALANCING =============== 1039.68 LDB: =============== DONE WITH MIGRATION ================ 1039.68 PRESSURE: 260300 0 0 0 0 0 0 0 0 0 GPRESSURE: 260300 0 0 0 0 0 0 0 0 0 PRESSAVG: 260300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260300 0 0 0 0 0 0 0 0 0 TIMING: 260300 CPU: 1037.3, 0.00398148/step Wall: 1037.3, 0.00398148/step, 0.2651 hours remaining, 109.511719 MB of memory in use. ENERGY: 260300 634.4102 1859.0789 1985.6666 89.4052 -15.2394 -1048.4763 170.2201 0.0000 2688.1405 6363.2057 296.9126 3675.0653 6393.4462 295.2546 LDB: ============= START OF LOAD BALANCING ============== 1040.07 LDB: ============== END OF LOAD BALANCING =============== 1040.07 LDB: =============== DONE WITH MIGRATION ================ 1040.07 PRESSURE: 260400 0 0 0 0 0 0 0 0 0 GPRESSURE: 260400 0 0 0 0 0 0 0 0 0 PRESSAVG: 260400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260400 0 0 0 0 0 0 0 0 0 TIMING: 260400 CPU: 1037.7, 0.00398372/step Wall: 1037.7, 0.00398372/step, 0.265139 hours remaining, 109.511719 MB of memory in use. ENERGY: 260400 662.2287 1850.2347 2019.4916 96.0117 -16.2905 -1049.6533 149.2600 0.0000 2694.5403 6405.8233 297.6195 3711.2830 6439.6449 294.1435 PRESSURE: 260500 0 0 0 0 0 0 0 0 0 GPRESSURE: 260500 0 0 0 0 0 0 0 0 0 PRESSAVG: 260500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260500 0 0 0 0 0 0 0 0 0 TIMING: 260500 CPU: 1038.1, 0.00398806/step Wall: 1038.1, 0.00398806/step, 0.265317 hours remaining, 109.511719 MB of memory in use. ENERGY: 260500 653.3909 1918.1357 2022.0475 92.9201 -16.5534 -1073.6752 153.8350 0.0000 2663.4177 6413.5183 294.1819 3750.1006 6445.7589 298.0129 PRESSURE: 260600 0 0 0 0 0 0 0 0 0 GPRESSURE: 260600 0 0 0 0 0 0 0 0 0 PRESSAVG: 260600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260600 0 0 0 0 0 0 0 0 0 TIMING: 260600 CPU: 1038.49, 0.0039732/step Wall: 1038.49, 0.0039732/step, 0.264218 hours remaining, 109.511719 MB of memory in use. ENERGY: 260600 660.4099 1850.3535 1979.4994 105.1999 -15.6554 -1050.3152 151.2857 0.0000 2700.2019 6380.9795 298.2448 3680.7777 6416.0680 296.7503 PRESSURE: 260700 0 0 0 0 0 0 0 0 0 GPRESSURE: 260700 0 0 0 0 0 0 0 0 0 PRESSAVG: 260700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260700 0 0 0 0 0 0 0 0 0 TIMING: 260700 CPU: 1038.89, 0.00399096/step Wall: 1038.89, 0.00399096/step, 0.265288 hours remaining, 109.511719 MB of memory in use. ENERGY: 260700 713.9653 1938.6353 2017.7472 93.6994 -14.8617 -1120.4809 159.7975 0.0000 2609.6486 6398.1507 288.2430 3788.5021 6427.7791 296.2034 PRESSURE: 260800 0 0 0 0 0 0 0 0 0 GPRESSURE: 260800 0 0 0 0 0 0 0 0 0 PRESSAVG: 260800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260800 0 0 0 0 0 0 0 0 0 TIMING: 260800 CPU: 1039.29, 0.00397505/step Wall: 1039.29, 0.00397505/step, 0.26412 hours remaining, 109.511719 MB of memory in use. ENERGY: 260800 680.1477 1876.4150 2015.9430 102.5123 -14.6237 -1060.9052 144.3222 0.0000 2709.9959 6453.8072 299.3266 3743.8112 6487.3915 297.6969 PRESSURE: 260900 0 0 0 0 0 0 0 0 0 GPRESSURE: 260900 0 0 0 0 0 0 0 0 0 PRESSAVG: 260900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 260900 0 0 0 0 0 0 0 0 0 TIMING: 260900 CPU: 1039.69, 0.00397435/step Wall: 1039.69, 0.00397435/step, 0.263963 hours remaining, 109.511719 MB of memory in use. ENERGY: 260900 680.3098 1885.8906 2009.1265 92.7452 -14.9399 -1042.8791 150.7290 0.0000 2673.6203 6434.6025 295.3088 3760.9822 6462.5251 298.3967 PRESSURE: 261000 0 0 0 0 0 0 0 0 0 GPRESSURE: 261000 0 0 0 0 0 0 0 0 0 PRESSAVG: 261000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261000 0 0 0 0 0 0 0 0 0 TIMING: 261000 CPU: 1040.09, 0.00398924/step Wall: 1040.09, 0.00398924/step, 0.264841 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 261000 667.0317 1848.2106 2024.5022 103.2781 -15.9547 -1044.0046 165.6717 0.0000 2721.2781 6470.0132 300.5727 3748.7351 6505.9615 298.9605 PRESSURE: 261100 0 0 0 0 0 0 0 0 0 GPRESSURE: 261100 0 0 0 0 0 0 0 0 0 PRESSAVG: 261100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261100 0 0 0 0 0 0 0 0 0 TIMING: 261100 CPU: 1040.48, 0.0039767/step Wall: 1040.48, 0.0039767/step, 0.263898 hours remaining, 109.511719 MB of memory in use. ENERGY: 261100 649.4426 1944.4781 2016.1239 102.6766 -14.8297 -1074.0306 162.8942 0.0000 2693.2621 6480.0171 297.4783 3786.7550 6511.7083 299.6294 PRESSURE: 261200 0 0 0 0 0 0 0 0 0 GPRESSURE: 261200 0 0 0 0 0 0 0 0 0 PRESSAVG: 261200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261200 0 0 0 0 0 0 0 0 0 TIMING: 261200 CPU: 1040.88, 0.00399015/step Wall: 1040.88, 0.00399015/step, 0.26468 hours remaining, 109.511719 MB of memory in use. ENERGY: 261200 636.5426 1892.3214 2014.4933 101.0424 -14.7281 -1050.6535 154.7381 0.0000 2761.2678 6495.0240 304.9897 3733.7562 6528.8437 299.9768 PRESSURE: 261300 0 0 0 0 0 0 0 0 0 GPRESSURE: 261300 0 0 0 0 0 0 0 0 0 PRESSAVG: 261300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261300 0 0 0 0 0 0 0 0 0 TIMING: 261300 CPU: 1041.28, 0.00397527/step Wall: 1041.28, 0.00397527/step, 0.263583 hours remaining, 109.511719 MB of memory in use. ENERGY: 261300 660.2678 1905.5253 2038.1664 109.7572 -14.5932 -1076.9328 167.6325 0.0000 2698.4097 6488.2329 298.0469 3789.8232 6520.6556 300.8692 PRESSURE: 261400 0 0 0 0 0 0 0 0 0 GPRESSURE: 261400 0 0 0 0 0 0 0 0 0 PRESSAVG: 261400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261400 0 0 0 0 0 0 0 0 0 TIMING: 261400 CPU: 1041.68, 0.00397331/step Wall: 1041.68, 0.00397331/step, 0.263342 hours remaining, 109.511719 MB of memory in use. ENERGY: 261400 655.3021 1896.5671 2037.4245 105.2380 -16.0374 -1037.6823 155.7434 0.0000 2682.5700 6479.1253 296.2973 3796.5553 6513.7266 300.7731 PRESSURE: 261500 0 0 0 0 0 0 0 0 0 GPRESSURE: 261500 0 0 0 0 0 0 0 0 0 PRESSAVG: 261500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261500 0 0 0 0 0 0 0 0 0 TIMING: 261500 CPU: 1042.08, 0.00398856/step Wall: 1042.08, 0.00398856/step, 0.264242 hours remaining, 109.511719 MB of memory in use. ENERGY: 261500 680.6870 1926.9957 1992.4736 104.1018 -14.1991 -1052.7229 173.1094 0.0000 2704.4442 6514.8898 298.7134 3810.4456 6548.3464 299.7396 PRESSURE: 261600 0 0 0 0 0 0 0 0 0 GPRESSURE: 261600 0 0 0 0 0 0 0 0 0 PRESSAVG: 261600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261600 0 0 0 0 0 0 0 0 0 TIMING: 261600 CPU: 1042.47, 0.00397726/step Wall: 1042.47, 0.00397726/step, 0.263383 hours remaining, 109.511719 MB of memory in use. ENERGY: 261600 645.5153 1893.0426 2003.3011 99.9889 -14.9251 -1025.6040 157.4566 0.0000 2738.8507 6497.6262 302.5137 3758.7755 6532.4650 300.3522 PRESSURE: 261700 0 0 0 0 0 0 0 0 0 GPRESSURE: 261700 0 0 0 0 0 0 0 0 0 PRESSAVG: 261700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261700 0 0 0 0 0 0 0 0 0 TIMING: 261700 CPU: 1042.87, 0.00398996/step Wall: 1042.87, 0.00398996/step, 0.264113 hours remaining, 109.511719 MB of memory in use. ENERGY: 261700 640.1430 1887.2414 2034.9380 111.1868 -15.7361 -1031.8746 163.1203 0.0000 2695.8663 6484.8850 297.7659 3789.0187 6519.8865 301.3292 PRESSURE: 261800 0 0 0 0 0 0 0 0 0 GPRESSURE: 261800 0 0 0 0 0 0 0 0 0 PRESSAVG: 261800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261800 0 0 0 0 0 0 0 0 0 TIMING: 261800 CPU: 1043.27, 0.00397647/step Wall: 1043.27, 0.00397647/step, 0.26311 hours remaining, 109.511719 MB of memory in use. ENERGY: 261800 694.0164 1848.1640 2026.0350 106.3267 -14.9147 -1078.1910 160.3695 0.0000 2745.1314 6486.9375 303.2074 3741.8061 6521.2592 300.1049 PRESSURE: 261900 0 0 0 0 0 0 0 0 0 GPRESSURE: 261900 0 0 0 0 0 0 0 0 0 PRESSAVG: 261900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 261900 0 0 0 0 0 0 0 0 0 TIMING: 261900 CPU: 1043.67, 0.00397627/step Wall: 1043.67, 0.00397627/step, 0.262986 hours remaining, 109.511719 MB of memory in use. ENERGY: 261900 671.2358 1903.4012 2025.0264 117.2392 -14.9333 -1073.5111 154.7583 0.0000 2717.8965 6501.1129 300.1992 3783.2164 6534.0230 301.1104 PRESSURE: 262000 0 0 0 0 0 0 0 0 0 GPRESSURE: 262000 0 0 0 0 0 0 0 0 0 PRESSAVG: 262000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262000 0 0 0 0 0 0 0 0 0 TIMING: 262000 CPU: 1044.07, 0.00399108/step Wall: 1044.07, 0.00399108/step, 0.263855 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 262000 672.2212 1867.9343 2015.7719 102.7773 -12.7907 -1070.5072 157.7289 0.0000 2782.4873 6515.6230 307.3335 3733.1357 6550.0991 300.5123 PRESSURE: 262100 0 0 0 0 0 0 0 0 0 GPRESSURE: 262100 0 0 0 0 0 0 0 0 0 PRESSAVG: 262100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262100 0 0 0 0 0 0 0 0 0 TIMING: 262100 CPU: 1044.46, 0.00397703/step Wall: 1044.46, 0.00397703/step, 0.262816 hours remaining, 109.511719 MB of memory in use. ENERGY: 262100 662.7254 1914.2277 1998.2465 108.7604 -15.7013 -1057.8622 151.9751 0.0000 2735.1382 6497.5096 302.1036 3762.3714 6532.3065 301.3060 PRESSURE: 262200 0 0 0 0 0 0 0 0 0 GPRESSURE: 262200 0 0 0 0 0 0 0 0 0 PRESSAVG: 262200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262200 0 0 0 0 0 0 0 0 0 TIMING: 262200 CPU: 1044.86, 0.00398533/step Wall: 1044.86, 0.00398533/step, 0.263253 hours remaining, 109.511719 MB of memory in use. ENERGY: 262200 644.2489 1870.3354 2014.2664 115.1893 -14.1886 -1063.4194 160.5378 0.0000 2767.2168 6494.1866 305.6468 3726.9698 6528.8252 300.4798 PRESSURE: 262300 0 0 0 0 0 0 0 0 0 GPRESSURE: 262300 0 0 0 0 0 0 0 0 0 PRESSAVG: 262300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262300 0 0 0 0 0 0 0 0 0 TIMING: 262300 CPU: 1045.26, 0.00397526/step Wall: 1045.26, 0.00397526/step, 0.262478 hours remaining, 109.511719 MB of memory in use. ENERGY: 262300 672.4281 1894.8404 2023.4734 97.2518 -13.5392 -1041.3060 156.6142 0.0000 2739.4619 6529.2247 302.5812 3789.7628 6561.3747 301.6546 PRESSURE: 262400 0 0 0 0 0 0 0 0 0 GPRESSURE: 262400 0 0 0 0 0 0 0 0 0 PRESSAVG: 262400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262400 0 0 0 0 0 0 0 0 0 TIMING: 262400 CPU: 1045.66, 0.00397436/step Wall: 1045.66, 0.00397436/step, 0.262308 hours remaining, 109.511719 MB of memory in use. ENERGY: 262400 665.9849 1913.6411 2034.2675 105.4170 -14.1577 -1051.3696 155.4028 0.0000 2678.8766 6488.0625 295.8894 3809.1860 6519.8053 302.0612 PRESSURE: 262500 0 0 0 0 0 0 0 0 0 GPRESSURE: 262500 0 0 0 0 0 0 0 0 0 PRESSAVG: 262500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262500 0 0 0 0 0 0 0 0 0 TIMING: 262500 CPU: 1046.06, 0.00398863/step Wall: 1046.06, 0.00398863/step, 0.263139 hours remaining, 109.511719 MB of memory in use. ENERGY: 262500 642.8602 1894.6177 2018.2391 113.6888 -15.3962 -1062.1756 170.7671 0.0000 2729.8717 6492.4728 301.5219 3762.6012 6524.2398 300.9396 PRESSURE: 262600 0 0 0 0 0 0 0 0 0 GPRESSURE: 262600 0 0 0 0 0 0 0 0 0 PRESSAVG: 262600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262600 0 0 0 0 0 0 0 0 0 TIMING: 262600 CPU: 1046.45, 0.00397761/step Wall: 1046.45, 0.00397761/step, 0.262301 hours remaining, 109.511719 MB of memory in use. ENERGY: 262600 640.5964 1876.7288 2015.1062 97.2072 -14.8795 -1048.3526 173.5850 0.0000 2750.0644 6490.0559 303.7523 3739.9916 6526.0077 299.0242 PRESSURE: 262700 0 0 0 0 0 0 0 0 0 GPRESSURE: 262700 0 0 0 0 0 0 0 0 0 PRESSAVG: 262700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262700 0 0 0 0 0 0 0 0 0 TIMING: 262700 CPU: 1046.85, 0.00398033/step Wall: 1046.85, 0.00398033/step, 0.26237 hours remaining, 109.511719 MB of memory in use. ENERGY: 262700 670.9766 1897.0233 2001.4298 107.1244 -13.8471 -1071.0918 168.5948 0.0000 2740.9977 6501.2077 302.7508 3760.2100 6534.6461 301.7136 PRESSURE: 262800 0 0 0 0 0 0 0 0 0 GPRESSURE: 262800 0 0 0 0 0 0 0 0 0 PRESSAVG: 262800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262800 0 0 0 0 0 0 0 0 0 TIMING: 262800 CPU: 1047.25, 0.00398451/step Wall: 1047.25, 0.00398451/step, 0.262535 hours remaining, 109.511719 MB of memory in use. ENERGY: 262800 655.0632 1938.4369 2003.0502 97.4137 -15.3158 -1051.5769 171.5325 0.0000 2683.1537 6481.7576 296.3618 3798.6039 6514.6439 299.3938 PRESSURE: 262900 0 0 0 0 0 0 0 0 0 GPRESSURE: 262900 0 0 0 0 0 0 0 0 0 PRESSAVG: 262900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 262900 0 0 0 0 0 0 0 0 0 TIMING: 262900 CPU: 1047.65, 0.0039767/step Wall: 1047.65, 0.0039767/step, 0.26191 hours remaining, 109.511719 MB of memory in use. ENERGY: 262900 655.2695 1915.9799 2045.1511 109.0380 -16.2060 -1033.1105 150.4929 0.0000 2687.9782 6514.5931 296.8947 3826.6149 6546.4384 301.9593 PRESSURE: 263000 0 0 0 0 0 0 0 0 0 GPRESSURE: 263000 0 0 0 0 0 0 0 0 0 PRESSAVG: 263000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263000 0 0 0 0 0 0 0 0 0 TIMING: 263000 CPU: 1048.05, 0.00398995/step Wall: 1048.05, 0.00398995/step, 0.262672 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 263000 633.2393 1939.5909 1992.0784 100.7359 -15.0202 -1073.1845 173.3910 0.0000 2714.7996 6465.6303 299.8572 3750.8307 6500.4055 300.4015 PRESSURE: 263100 0 0 0 0 0 0 0 0 0 GPRESSURE: 263100 0 0 0 0 0 0 0 0 0 PRESSAVG: 263100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263100 0 0 0 0 0 0 0 0 0 TIMING: 263100 CPU: 1048.45, 0.00397544/step Wall: 1048.45, 0.00397544/step, 0.261606 hours remaining, 109.511719 MB of memory in use. ENERGY: 263100 627.5002 1887.4158 1989.2076 102.1199 -14.9918 -1054.0006 169.5019 0.0000 2734.4685 6441.2216 302.0297 3706.7530 6473.8807 297.4614 PRESSURE: 263200 0 0 0 0 0 0 0 0 0 GPRESSURE: 263200 0 0 0 0 0 0 0 0 0 PRESSAVG: 263200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263200 0 0 0 0 0 0 0 0 0 TIMING: 263200 CPU: 1048.84, 0.00397333/step Wall: 1048.84, 0.00397333/step, 0.261357 hours remaining, 109.511719 MB of memory in use. ENERGY: 263200 642.1454 1865.5079 2010.4943 111.0863 -13.6251 -1034.2930 166.9750 0.0000 2680.5712 6428.8620 296.0766 3748.2908 6459.8250 297.2909 PRESSURE: 263300 0 0 0 0 0 0 0 0 0 GPRESSURE: 263300 0 0 0 0 0 0 0 0 0 PRESSAVG: 263300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263300 0 0 0 0 0 0 0 0 0 TIMING: 263300 CPU: 1049.24, 0.00398969/step Wall: 1049.24, 0.00398969/step, 0.262322 hours remaining, 109.511719 MB of memory in use. ENERGY: 263300 626.2948 1863.5261 2019.6945 105.4687 -14.3675 -1029.0880 158.1169 0.0000 2660.9037 6390.5492 293.9042 3729.6455 6424.2585 296.7380 PRESSURE: 263400 0 0 0 0 0 0 0 0 0 GPRESSURE: 263400 0 0 0 0 0 0 0 0 0 PRESSAVG: 263400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263400 0 0 0 0 0 0 0 0 0 TIMING: 263400 CPU: 1049.64, 0.00397891/step Wall: 1049.64, 0.00397891/step, 0.261503 hours remaining, 109.511719 MB of memory in use. ENERGY: 263400 666.5474 1857.3379 1988.8890 104.7947 -15.2906 -1022.3918 148.5724 0.0000 2689.4186 6417.8777 297.0538 3728.4591 6451.7807 295.7026 PRESSURE: 263500 0 0 0 0 0 0 0 0 0 GPRESSURE: 263500 0 0 0 0 0 0 0 0 0 PRESSAVG: 263500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263500 0 0 0 0 0 0 0 0 0 TIMING: 263500 CPU: 1050.04, 0.00398581/step Wall: 1050.04, 0.00398581/step, 0.261846 hours remaining, 109.511719 MB of memory in use. ENERGY: 263500 645.7645 1846.7616 2013.6675 106.0524 -14.6642 -1054.4158 167.0231 0.0000 2715.0515 6425.2407 299.8850 3710.1891 6459.9798 298.1320 PRESSURE: 263600 0 0 0 0 0 0 0 0 0 GPRESSURE: 263600 0 0 0 0 0 0 0 0 0 PRESSAVG: 263600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263600 0 0 0 0 0 0 0 0 0 TIMING: 263600 CPU: 1050.44, 0.00397592/step Wall: 1050.44, 0.00397592/step, 0.261085 hours remaining, 109.511719 MB of memory in use. ENERGY: 263600 680.8169 1898.7200 2021.4780 97.7841 -15.4325 -1069.7384 160.8140 0.0000 2691.3191 6465.7612 297.2637 3774.4421 6500.6690 298.4914 PRESSURE: 263700 0 0 0 0 0 0 0 0 0 GPRESSURE: 263700 0 0 0 0 0 0 0 0 0 PRESSAVG: 263700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263700 0 0 0 0 0 0 0 0 0 TIMING: 263700 CPU: 1050.83, 0.00397626/step Wall: 1050.83, 0.00397626/step, 0.260997 hours remaining, 109.511719 MB of memory in use. ENERGY: 263700 680.8709 1898.9875 2008.6465 101.8767 -13.9370 -1064.2086 154.5803 0.0000 2718.9911 6485.8074 300.3201 3766.8163 6519.6616 299.1585 PRESSURE: 263800 0 0 0 0 0 0 0 0 0 GPRESSURE: 263800 0 0 0 0 0 0 0 0 0 PRESSAVG: 263800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263800 0 0 0 0 0 0 0 0 0 TIMING: 263800 CPU: 1051.23, 0.00399003/step Wall: 1051.23, 0.00399003/step, 0.26179 hours remaining, 109.511719 MB of memory in use. ENERGY: 263800 699.4658 1856.8274 2017.1018 101.8243 -13.9175 -1034.3565 156.2564 0.0000 2680.5864 6463.7881 296.0782 3783.2017 6495.8320 301.2249 PRESSURE: 263900 0 0 0 0 0 0 0 0 0 GPRESSURE: 263900 0 0 0 0 0 0 0 0 0 PRESSAVG: 263900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 263900 0 0 0 0 0 0 0 0 0 TIMING: 263900 CPU: 1051.63, 0.00397806/step Wall: 1051.63, 0.00397806/step, 0.260894 hours remaining, 109.511719 MB of memory in use. ENERGY: 263900 664.4137 1860.2438 2014.7606 116.0475 -14.3718 -1060.7479 156.9986 0.0000 2710.5167 6447.8612 299.3841 3737.3445 6480.9621 298.9122 PRESSURE: 264000 0 0 0 0 0 0 0 0 0 GPRESSURE: 264000 0 0 0 0 0 0 0 0 0 PRESSAVG: 264000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264000 0 0 0 0 0 0 0 0 0 TIMING: 264000 CPU: 1052.03, 0.00398881/step Wall: 1052.03, 0.00398881/step, 0.261489 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 264000 670.2199 1926.5506 2009.0133 101.2230 -14.4627 -1043.2645 164.3660 0.0000 2674.5490 6488.1945 295.4114 3813.6455 6519.0654 299.5336 PRESSURE: 264100 0 0 0 0 0 0 0 0 0 GPRESSURE: 264100 0 0 0 0 0 0 0 0 0 PRESSAVG: 264100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264100 0 0 0 0 0 0 0 0 0 TIMING: 264100 CPU: 1052.43, 0.00397751/step Wall: 1052.43, 0.00397751/step, 0.260637 hours remaining, 109.511719 MB of memory in use. ENERGY: 264100 671.9116 1874.4358 2016.8600 113.8626 -15.4956 -1060.4012 180.7939 0.0000 2730.7659 6512.7331 301.6207 3781.9671 6547.0096 300.0265 PRESSURE: 264200 0 0 0 0 0 0 0 0 0 GPRESSURE: 264200 0 0 0 0 0 0 0 0 0 PRESSAVG: 264200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264200 0 0 0 0 0 0 0 0 0 TIMING: 264200 CPU: 1052.82, 0.00397524/step Wall: 1052.82, 0.00397524/step, 0.260378 hours remaining, 109.511719 MB of memory in use. ENERGY: 264200 651.8894 1922.2041 2011.3969 103.0355 -14.9671 -1050.1017 153.3384 0.0000 2763.2399 6540.0354 305.2075 3776.7955 6575.4855 302.4735 LDB: ============= START OF LOAD BALANCING ============== 1055.6 LDB: ============== END OF LOAD BALANCING =============== 1055.6 LDB: =============== DONE WITH MIGRATION ================ 1055.6 PRESSURE: 264300 0 0 0 0 0 0 0 0 0 GPRESSURE: 264300 0 0 0 0 0 0 0 0 0 PRESSAVG: 264300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264300 0 0 0 0 0 0 0 0 0 TIMING: 264300 CPU: 1053.22, 0.0039892/step Wall: 1053.22, 0.0039892/step, 0.261182 hours remaining, 109.511719 MB of memory in use. ENERGY: 264300 654.2306 1899.3780 2040.6560 115.9296 -14.3149 -1055.2559 162.3959 0.0000 2735.7857 6538.8050 302.1752 3803.0193 6569.7126 303.0624 LDB: ============= START OF LOAD BALANCING ============== 1056 LDB: ============== END OF LOAD BALANCING =============== 1056 LDB: =============== DONE WITH MIGRATION ================ 1056 PRESSURE: 264400 0 0 0 0 0 0 0 0 0 GPRESSURE: 264400 0 0 0 0 0 0 0 0 0 PRESSAVG: 264400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264400 0 0 0 0 0 0 0 0 0 TIMING: 264400 CPU: 1053.62, 0.00398339/step Wall: 1053.62, 0.00398339/step, 0.260691 hours remaining, 109.511719 MB of memory in use. ENERGY: 264400 664.8248 1891.1557 2027.0261 112.5533 -14.4394 -1050.7196 158.2549 0.0000 2745.4211 6534.0769 303.2394 3788.6558 6566.4012 302.6402 PRESSURE: 264500 0 0 0 0 0 0 0 0 0 GPRESSURE: 264500 0 0 0 0 0 0 0 0 0 PRESSAVG: 264500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264500 0 0 0 0 0 0 0 0 0 TIMING: 264500 CPU: 1054.02, 0.00399157/step Wall: 1054.02, 0.00399157/step, 0.261115 hours remaining, 109.511719 MB of memory in use. ENERGY: 264500 699.0618 1890.8525 2015.4847 111.4307 -14.0375 -1056.8108 162.8369 0.0000 2743.2770 6552.0954 303.0026 3808.8184 6583.1008 303.9890 PRESSURE: 264600 0 0 0 0 0 0 0 0 0 GPRESSURE: 264600 0 0 0 0 0 0 0 0 0 PRESSAVG: 264600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264600 0 0 0 0 0 0 0 0 0 TIMING: 264600 CPU: 1054.42, 0.00397555/step Wall: 1054.42, 0.00397555/step, 0.259957 hours remaining, 109.511719 MB of memory in use. ENERGY: 264600 661.2900 1897.3776 2043.4985 103.6024 -15.7439 -1064.6582 162.2208 0.0000 2736.1443 6523.7317 302.2148 3787.5874 6561.2873 301.3154 PRESSURE: 264700 0 0 0 0 0 0 0 0 0 GPRESSURE: 264700 0 0 0 0 0 0 0 0 0 PRESSAVG: 264700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264700 0 0 0 0 0 0 0 0 0 TIMING: 264700 CPU: 1054.82, 0.00397593/step Wall: 1054.82, 0.00397593/step, 0.259871 hours remaining, 109.511719 MB of memory in use. ENERGY: 264700 638.1160 1891.0438 2010.5920 108.2050 -15.4429 -1043.4799 158.7987 0.0000 2748.4021 6496.2346 303.5687 3747.8325 6528.0216 301.7344 PRESSURE: 264800 0 0 0 0 0 0 0 0 0 GPRESSURE: 264800 0 0 0 0 0 0 0 0 0 PRESSAVG: 264800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264800 0 0 0 0 0 0 0 0 0 TIMING: 264800 CPU: 1055.21, 0.00399083/step Wall: 1055.21, 0.00399083/step, 0.260734 hours remaining, 109.511719 MB of memory in use. ENERGY: 264800 632.0448 1907.1156 2016.1903 96.6639 -14.5746 -1040.6283 177.3579 0.0000 2700.0004 6474.1700 298.2226 3774.1696 6506.4296 300.9581 PRESSURE: 264900 0 0 0 0 0 0 0 0 0 GPRESSURE: 264900 0 0 0 0 0 0 0 0 0 PRESSAVG: 264900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 264900 0 0 0 0 0 0 0 0 0 TIMING: 264900 CPU: 1055.61, 0.0039777/step Wall: 1055.61, 0.0039777/step, 0.259766 hours remaining, 109.511719 MB of memory in use. ENERGY: 264900 673.9942 1840.8348 1997.7580 96.8967 -12.6807 -1028.2786 156.3885 0.0000 2733.2707 6458.1836 301.8974 3724.9129 6493.3510 298.5174 PRESSURE: 265000 0 0 0 0 0 0 0 0 0 GPRESSURE: 265000 0 0 0 0 0 0 0 0 0 PRESSAVG: 265000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265000 0 0 0 0 0 0 0 0 0 TIMING: 265000 CPU: 1056.01, 0.00398449/step Wall: 1056.01, 0.00398449/step, 0.260099 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 265000 674.9912 1889.9443 2015.5537 109.7185 -13.9320 -1016.4433 156.2505 0.0000 2633.3375 6449.4204 290.8595 3816.0830 6481.4581 297.7498 PRESSURE: 265100 0 0 0 0 0 0 0 0 0 GPRESSURE: 265100 0 0 0 0 0 0 0 0 0 PRESSAVG: 265100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265100 0 0 0 0 0 0 0 0 0 TIMING: 265100 CPU: 1056.41, 0.00397636/step Wall: 1056.41, 0.00397636/step, 0.259457 hours remaining, 109.511719 MB of memory in use. ENERGY: 265100 639.6862 1912.3794 2018.8529 103.1017 -13.7262 -1047.6405 160.8571 0.0000 2690.5383 6464.0489 297.1775 3773.5106 6499.3432 298.6868 PRESSURE: 265200 0 0 0 0 0 0 0 0 0 GPRESSURE: 265200 0 0 0 0 0 0 0 0 0 PRESSAVG: 265200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265200 0 0 0 0 0 0 0 0 0 TIMING: 265200 CPU: 1056.81, 0.00397309/step Wall: 1056.81, 0.00397309/step, 0.259134 hours remaining, 109.511719 MB of memory in use. ENERGY: 265200 671.7902 1844.9442 2041.8997 108.9191 -15.2546 -1036.8707 169.9787 0.0000 2670.7550 6456.1616 294.9923 3785.4067 6492.1529 297.8722 PRESSURE: 265300 0 0 0 0 0 0 0 0 0 GPRESSURE: 265300 0 0 0 0 0 0 0 0 0 PRESSAVG: 265300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265300 0 0 0 0 0 0 0 0 0 TIMING: 265300 CPU: 1057.21, 0.0039885/step Wall: 1057.21, 0.0039885/step, 0.260028 hours remaining, 109.511719 MB of memory in use. ENERGY: 265300 669.6275 1903.8973 2041.3114 93.5919 -14.5417 -1070.6174 169.8533 0.0000 2720.0999 6513.2223 300.4426 3793.1224 6546.0543 299.3355 PRESSURE: 265400 0 0 0 0 0 0 0 0 0 GPRESSURE: 265400 0 0 0 0 0 0 0 0 0 PRESSAVG: 265400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265400 0 0 0 0 0 0 0 0 0 TIMING: 265400 CPU: 1057.6, 0.00397559/step Wall: 1057.6, 0.00397559/step, 0.259076 hours remaining, 109.511719 MB of memory in use. ENERGY: 265400 698.8052 1942.5386 2034.4451 118.2728 -15.7076 -1077.3505 154.8672 0.0000 2694.8750 6550.7458 297.6565 3855.8707 6578.0782 302.4992 PRESSURE: 265500 0 0 0 0 0 0 0 0 0 GPRESSURE: 265500 0 0 0 0 0 0 0 0 0 PRESSAVG: 265500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265500 0 0 0 0 0 0 0 0 0 TIMING: 265500 CPU: 1058, 0.00398927/step Wall: 1058, 0.00398927/step, 0.259857 hours remaining, 109.511719 MB of memory in use. ENERGY: 265500 664.3578 1881.5157 2044.8348 103.8222 -14.0266 -1067.7740 163.5482 0.0000 2716.5675 6492.8455 300.0524 3776.2780 6527.2540 301.2046 PRESSURE: 265600 0 0 0 0 0 0 0 0 0 GPRESSURE: 265600 0 0 0 0 0 0 0 0 0 PRESSAVG: 265600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265600 0 0 0 0 0 0 0 0 0 TIMING: 265600 CPU: 1058.4, 0.00397611/step Wall: 1058.4, 0.00397611/step, 0.258889 hours remaining, 109.511719 MB of memory in use. ENERGY: 265600 685.2105 1897.6223 2055.7405 108.2506 -13.8778 -1058.4209 168.2626 0.0000 2693.8562 6536.6438 297.5439 3842.7876 6567.1437 301.6137 PRESSURE: 265700 0 0 0 0 0 0 0 0 0 GPRESSURE: 265700 0 0 0 0 0 0 0 0 0 PRESSAVG: 265700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265700 0 0 0 0 0 0 0 0 0 TIMING: 265700 CPU: 1058.8, 0.00397607/step Wall: 1058.8, 0.00397607/step, 0.258776 hours remaining, 109.511719 MB of memory in use. ENERGY: 265700 700.5667 1903.1164 1985.0165 111.6294 -14.4839 -1049.1592 160.1241 0.0000 2707.3215 6504.1315 299.0312 3796.8100 6534.1321 303.1236 PRESSURE: 265800 0 0 0 0 0 0 0 0 0 GPRESSURE: 265800 0 0 0 0 0 0 0 0 0 PRESSAVG: 265800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265800 0 0 0 0 0 0 0 0 0 TIMING: 265800 CPU: 1059.2, 0.00398865/step Wall: 1059.2, 0.00398865/step, 0.259484 hours remaining, 109.511719 MB of memory in use. ENERGY: 265800 623.4381 1863.6618 2017.5879 106.0201 -13.8433 -1037.4005 152.8705 0.0000 2794.8451 6507.1797 308.6984 3712.3346 6541.6158 302.1312 PRESSURE: 265900 0 0 0 0 0 0 0 0 0 GPRESSURE: 265900 0 0 0 0 0 0 0 0 0 PRESSAVG: 265900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 265900 0 0 0 0 0 0 0 0 0 TIMING: 265900 CPU: 1059.59, 0.00397656/step Wall: 1059.59, 0.00397656/step, 0.258587 hours remaining, 109.511719 MB of memory in use. ENERGY: 265900 626.1041 1876.4578 2014.5187 94.9986 -13.4293 -1064.2149 158.3447 0.0000 2765.8217 6458.6014 305.4927 3692.7797 6494.0525 299.4662 PRESSURE: 266000 0 0 0 0 0 0 0 0 0 GPRESSURE: 266000 0 0 0 0 0 0 0 0 0 PRESSAVG: 266000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266000 0 0 0 0 0 0 0 0 0 TIMING: 266000 CPU: 1059.99, 0.00399167/step Wall: 1059.99, 0.00399167/step, 0.259459 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 266000 632.3412 1878.9002 2014.1646 101.0912 -14.1394 -1053.7759 175.8880 0.0000 2717.6632 6452.1332 300.1735 3734.4699 6483.8779 299.1273 PRESSURE: 266100 0 0 0 0 0 0 0 0 0 GPRESSURE: 266100 0 0 0 0 0 0 0 0 0 PRESSAVG: 266100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266100 0 0 0 0 0 0 0 0 0 TIMING: 266100 CPU: 1060.39, 0.00397534/step Wall: 1060.39, 0.00397534/step, 0.258287 hours remaining, 109.511719 MB of memory in use. ENERGY: 266100 650.4834 1858.3459 2044.6385 107.2532 -15.1585 -1029.7772 153.6823 0.0000 2708.5346 6478.0023 299.1652 3769.4676 6510.5940 299.1157 PRESSURE: 266200 0 0 0 0 0 0 0 0 0 GPRESSURE: 266200 0 0 0 0 0 0 0 0 0 PRESSAVG: 266200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266200 0 0 0 0 0 0 0 0 0 TIMING: 266200 CPU: 1060.79, 0.00397689/step Wall: 1060.79, 0.00397689/step, 0.258277 hours remaining, 109.511719 MB of memory in use. ENERGY: 266200 626.6389 1899.3713 2020.0643 116.5185 -14.3455 -1028.9238 156.0402 0.0000 2723.8822 6499.2461 300.8604 3775.3639 6532.1516 300.0718 PRESSURE: 266300 0 0 0 0 0 0 0 0 0 GPRESSURE: 266300 0 0 0 0 0 0 0 0 0 PRESSAVG: 266300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266300 0 0 0 0 0 0 0 0 0 TIMING: 266300 CPU: 1061.19, 0.00398857/step Wall: 1061.19, 0.00398857/step, 0.258925 hours remaining, 109.511719 MB of memory in use. ENERGY: 266300 658.0997 1888.2998 2028.0940 93.6329 -13.9680 -1037.6560 150.3054 0.0000 2734.5910 6501.3987 302.0432 3766.8078 6534.2461 300.5881 PRESSURE: 266400 0 0 0 0 0 0 0 0 0 GPRESSURE: 266400 0 0 0 0 0 0 0 0 0 PRESSAVG: 266400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266400 0 0 0 0 0 0 0 0 0 TIMING: 266400 CPU: 1061.58, 0.00397762/step Wall: 1061.58, 0.00397762/step, 0.258103 hours remaining, 109.511719 MB of memory in use. ENERGY: 266400 677.6273 1839.5729 2036.3743 111.3571 -15.1440 -1048.9295 156.4382 0.0000 2726.0945 6483.3908 301.1047 3757.2963 6513.6196 300.0673 PRESSURE: 266500 0 0 0 0 0 0 0 0 0 GPRESSURE: 266500 0 0 0 0 0 0 0 0 0 PRESSAVG: 266500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266500 0 0 0 0 0 0 0 0 0 TIMING: 266500 CPU: 1061.98, 0.00398923/step Wall: 1061.98, 0.00398923/step, 0.258746 hours remaining, 109.511719 MB of memory in use. ENERGY: 266500 668.0023 1841.1630 2020.9378 104.9428 -12.8680 -1053.3086 158.7722 0.0000 2753.9580 6481.5995 304.1823 3727.6415 6516.0122 299.6972 PRESSURE: 266600 0 0 0 0 0 0 0 0 0 GPRESSURE: 266600 0 0 0 0 0 0 0 0 0 PRESSAVG: 266600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266600 0 0 0 0 0 0 0 0 0 TIMING: 266600 CPU: 1062.38, 0.00397639/step Wall: 1062.38, 0.00397639/step, 0.257803 hours remaining, 109.511719 MB of memory in use. ENERGY: 266600 672.8431 1885.7982 2006.2684 103.9337 -13.8342 -1056.7820 160.4003 0.0000 2788.9020 6547.5295 308.0420 3758.6275 6581.2265 303.3279 PRESSURE: 266700 0 0 0 0 0 0 0 0 0 GPRESSURE: 266700 0 0 0 0 0 0 0 0 0 PRESSAVG: 266700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266700 0 0 0 0 0 0 0 0 0 TIMING: 266700 CPU: 1062.78, 0.00397382/step Wall: 1062.78, 0.00397382/step, 0.257526 hours remaining, 109.511719 MB of memory in use. ENERGY: 266700 694.5768 1874.5019 2034.8019 110.0181 -13.8010 -1065.7114 164.5929 0.0000 2709.3038 6508.2829 299.2502 3798.9791 6542.7881 300.5850 PRESSURE: 266800 0 0 0 0 0 0 0 0 0 GPRESSURE: 266800 0 0 0 0 0 0 0 0 0 PRESSAVG: 266800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266800 0 0 0 0 0 0 0 0 0 TIMING: 266800 CPU: 1063.18, 0.00398785/step Wall: 1063.18, 0.00398785/step, 0.258324 hours remaining, 109.511719 MB of memory in use. ENERGY: 266800 652.2952 1923.4297 2038.4168 94.8545 -14.2114 -1034.5176 145.8852 0.0000 2717.6573 6523.8099 300.1728 3806.1526 6556.7246 303.6417 PRESSURE: 266900 0 0 0 0 0 0 0 0 0 GPRESSURE: 266900 0 0 0 0 0 0 0 0 0 PRESSAVG: 266900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 266900 0 0 0 0 0 0 0 0 0 TIMING: 266900 CPU: 1063.57, 0.00397811/step Wall: 1063.57, 0.00397811/step, 0.257583 hours remaining, 109.511719 MB of memory in use. ENERGY: 266900 645.4516 1884.5927 2042.1207 109.7048 -13.3418 -1051.6549 175.9644 0.0000 2730.1309 6522.9685 301.5506 3792.8375 6557.9136 301.0157 PRESSURE: 267000 0 0 0 0 0 0 0 0 0 GPRESSURE: 267000 0 0 0 0 0 0 0 0 0 PRESSAVG: 267000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267000 0 0 0 0 0 0 0 0 0 TIMING: 267000 CPU: 1063.97, 0.00399155/step Wall: 1063.97, 0.00399155/step, 0.258342 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 267000 645.5116 1872.8748 2038.7190 104.8963 -14.5737 -1016.0905 170.7541 0.0000 2719.2238 6521.3153 300.3458 3802.0915 6554.9218 301.8545 PRESSURE: 267100 0 0 0 0 0 0 0 0 0 GPRESSURE: 267100 0 0 0 0 0 0 0 0 0 PRESSAVG: 267100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267100 0 0 0 0 0 0 0 0 0 TIMING: 267100 CPU: 1064.37, 0.00397669/step Wall: 1064.37, 0.00397669/step, 0.25727 hours remaining, 109.511719 MB of memory in use. ENERGY: 267100 677.0561 1871.2901 2023.5014 113.8260 -14.8207 -1026.7497 162.8857 0.0000 2712.2680 6519.2569 299.5776 3806.9889 6551.1838 301.0673 PRESSURE: 267200 0 0 0 0 0 0 0 0 0 GPRESSURE: 267200 0 0 0 0 0 0 0 0 0 PRESSAVG: 267200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267200 0 0 0 0 0 0 0 0 0 TIMING: 267200 CPU: 1064.77, 0.00397443/step Wall: 1064.77, 0.00397443/step, 0.257013 hours remaining, 109.511719 MB of memory in use. ENERGY: 267200 697.0028 1868.1907 2023.1710 101.2230 -14.4882 -990.1333 156.6539 0.0000 2719.2208 6560.8407 300.3455 3841.6199 6591.0149 303.4694 PRESSURE: 267300 0 0 0 0 0 0 0 0 0 GPRESSURE: 267300 0 0 0 0 0 0 0 0 0 PRESSAVG: 267300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267300 0 0 0 0 0 0 0 0 0 TIMING: 267300 CPU: 1065.17, 0.00399077/step Wall: 1065.17, 0.00399077/step, 0.257959 hours remaining, 109.511719 MB of memory in use. ENERGY: 267300 639.9795 1933.4781 2014.6278 107.0983 -14.8055 -1034.9253 162.3483 0.0000 2758.8149 6566.6162 304.7188 3807.8013 6597.8271 304.0305 PRESSURE: 267400 0 0 0 0 0 0 0 0 0 GPRESSURE: 267400 0 0 0 0 0 0 0 0 0 PRESSAVG: 267400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267400 0 0 0 0 0 0 0 0 0 TIMING: 267400 CPU: 1065.57, 0.00397775/step Wall: 1065.57, 0.00397775/step, 0.257007 hours remaining, 109.511719 MB of memory in use. ENERGY: 267400 669.9298 1939.3567 2007.8593 99.9945 -14.9224 -1045.0199 152.1385 0.0000 2740.7133 6550.0499 302.7194 3809.3365 6583.2381 304.2262 PRESSURE: 267500 0 0 0 0 0 0 0 0 0 GPRESSURE: 267500 0 0 0 0 0 0 0 0 0 PRESSAVG: 267500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267500 0 0 0 0 0 0 0 0 0 TIMING: 267500 CPU: 1065.96, 0.0039902/step Wall: 1065.96, 0.0039902/step, 0.2577 hours remaining, 109.511719 MB of memory in use. ENERGY: 267500 639.7476 1893.4089 2015.6744 106.2747 -14.4136 -1003.4247 162.9296 0.0000 2766.2806 6566.4775 305.5434 3800.1969 6600.3433 304.3118 PRESSURE: 267600 0 0 0 0 0 0 0 0 0 GPRESSURE: 267600 0 0 0 0 0 0 0 0 0 PRESSAVG: 267600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267600 0 0 0 0 0 0 0 0 0 TIMING: 267600 CPU: 1066.36, 0.00397551/step Wall: 1066.36, 0.00397551/step, 0.256641 hours remaining, 109.511719 MB of memory in use. ENERGY: 267600 664.1234 1936.3859 2019.5955 104.0327 -13.5516 -1054.1124 167.0215 0.0000 2710.7831 6534.2780 299.4135 3823.4949 6565.7873 303.9074 PRESSURE: 267700 0 0 0 0 0 0 0 0 0 GPRESSURE: 267700 0 0 0 0 0 0 0 0 0 PRESSAVG: 267700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267700 0 0 0 0 0 0 0 0 0 TIMING: 267700 CPU: 1066.76, 0.00397462/step Wall: 1066.76, 0.00397462/step, 0.256473 hours remaining, 109.511719 MB of memory in use. ENERGY: 267700 679.6360 1916.7918 2019.0243 103.5278 -13.9105 -1039.8934 171.0379 0.0000 2691.3688 6527.5828 297.2692 3836.2140 6558.3016 300.7247 PRESSURE: 267800 0 0 0 0 0 0 0 0 0 GPRESSURE: 267800 0 0 0 0 0 0 0 0 0 PRESSAVG: 267800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267800 0 0 0 0 0 0 0 0 0 TIMING: 267800 CPU: 1067.16, 0.00398736/step Wall: 1067.16, 0.00398736/step, 0.257185 hours remaining, 109.511719 MB of memory in use. ENERGY: 267800 657.5974 1848.6333 2015.6131 107.0971 -14.3987 -1009.4141 156.8949 0.0000 2729.8320 6491.8549 301.5175 3762.0229 6525.8865 302.1341 PRESSURE: 267900 0 0 0 0 0 0 0 0 0 GPRESSURE: 267900 0 0 0 0 0 0 0 0 0 PRESSAVG: 267900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 267900 0 0 0 0 0 0 0 0 0 TIMING: 267900 CPU: 1067.56, 0.00397604/step Wall: 1067.56, 0.00397604/step, 0.256344 hours remaining, 109.511719 MB of memory in use. ENERGY: 267900 632.2226 1883.6953 1996.2470 117.9790 -14.3263 -1034.4585 158.8177 0.0000 2753.9362 6494.1130 304.1799 3740.1769 6526.8777 300.7363 PRESSURE: 268000 0 0 0 0 0 0 0 0 0 GPRESSURE: 268000 0 0 0 0 0 0 0 0 0 PRESSAVG: 268000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268000 0 0 0 0 0 0 0 0 0 TIMING: 268000 CPU: 1067.96, 0.00398917/step Wall: 1067.96, 0.00398917/step, 0.25708 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 268000 659.1865 1863.4791 2012.5114 101.3696 -13.9506 -1051.1780 150.4552 0.0000 2756.7610 6478.6341 304.4919 3721.8732 6514.6969 300.5490 PRESSURE: 268100 0 0 0 0 0 0 0 0 0 GPRESSURE: 268100 0 0 0 0 0 0 0 0 0 PRESSAVG: 268100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268100 0 0 0 0 0 0 0 0 0 TIMING: 268100 CPU: 1068.35, 0.00397557/step Wall: 1068.35, 0.00397557/step, 0.256093 hours remaining, 109.511719 MB of memory in use. ENERGY: 268100 661.4483 1897.1763 2018.9311 108.5784 -14.7103 -1062.6046 159.2945 0.0000 2709.4509 6477.5647 299.2664 3768.1138 6511.1571 301.3841 PRESSURE: 268200 0 0 0 0 0 0 0 0 0 GPRESSURE: 268200 0 0 0 0 0 0 0 0 0 PRESSAVG: 268200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268200 0 0 0 0 0 0 0 0 0 TIMING: 268200 CPU: 1068.75, 0.00397521/step Wall: 1068.75, 0.00397521/step, 0.255959 hours remaining, 109.511719 MB of memory in use. ENERGY: 268200 665.3768 1886.3020 2006.4633 120.0413 -14.2620 -1017.7299 160.4144 0.0000 2666.4570 6473.0629 294.5176 3806.6059 6502.0719 299.2761 LDB: ============= START OF LOAD BALANCING ============== 1071.53 LDB: ============== END OF LOAD BALANCING =============== 1071.53 LDB: =============== DONE WITH MIGRATION ================ 1071.53 PRESSURE: 268300 0 0 0 0 0 0 0 0 0 GPRESSURE: 268300 0 0 0 0 0 0 0 0 0 PRESSAVG: 268300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268300 0 0 0 0 0 0 0 0 0 TIMING: 268300 CPU: 1069.15, 0.00399157/step Wall: 1069.15, 0.00399157/step, 0.256902 hours remaining, 109.511719 MB of memory in use. ENERGY: 268300 640.6602 1921.2285 2012.5927 117.1418 -14.8635 -1056.6725 172.8761 0.0000 2716.4270 6509.3904 300.0369 3792.9634 6540.2486 301.9925 LDB: ============= START OF LOAD BALANCING ============== 1071.93 LDB: ============== END OF LOAD BALANCING =============== 1071.93 LDB: =============== DONE WITH MIGRATION ================ 1071.93 PRESSURE: 268400 0 0 0 0 0 0 0 0 0 GPRESSURE: 268400 0 0 0 0 0 0 0 0 0 PRESSAVG: 268400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268400 0 0 0 0 0 0 0 0 0 TIMING: 268400 CPU: 1069.55, 0.00398327/step Wall: 1069.55, 0.00398327/step, 0.256257 hours remaining, 109.511719 MB of memory in use. ENERGY: 268400 653.8378 1870.7718 2042.3847 112.3355 -15.2180 -1068.9331 171.6201 0.0000 2735.8530 6502.6517 302.1826 3766.7987 6536.0118 301.3742 PRESSURE: 268500 0 0 0 0 0 0 0 0 0 GPRESSURE: 268500 0 0 0 0 0 0 0 0 0 PRESSAVG: 268500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268500 0 0 0 0 0 0 0 0 0 TIMING: 268500 CPU: 1069.95, 0.00398688/step Wall: 1069.95, 0.00398688/step, 0.256379 hours remaining, 109.511719 MB of memory in use. ENERGY: 268500 652.6457 1905.0402 2012.4834 98.7145 -15.3702 -1053.4560 161.9770 0.0000 2756.4460 6518.4804 304.4571 3762.0344 6554.1670 301.2408 PRESSURE: 268600 0 0 0 0 0 0 0 0 0 GPRESSURE: 268600 0 0 0 0 0 0 0 0 0 PRESSAVG: 268600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268600 0 0 0 0 0 0 0 0 0 TIMING: 268600 CPU: 1070.34, 0.00397399/step Wall: 1070.34, 0.00397399/step, 0.255439 hours remaining, 109.511719 MB of memory in use. ENERGY: 268600 697.1548 1868.7362 2013.3379 102.4960 -14.9019 -1022.4396 156.9042 0.0000 2715.9590 6517.2466 299.9852 3801.2876 6552.2627 301.5767 PRESSURE: 268700 0 0 0 0 0 0 0 0 0 GPRESSURE: 268700 0 0 0 0 0 0 0 0 0 PRESSAVG: 268700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268700 0 0 0 0 0 0 0 0 0 TIMING: 268700 CPU: 1070.74, 0.00397417/step Wall: 1070.74, 0.00397417/step, 0.25534 hours remaining, 109.511719 MB of memory in use. ENERGY: 268700 640.8710 1903.7850 1991.5999 104.9349 -15.8109 -1019.5730 169.8969 0.0000 2725.3796 6501.0835 301.0258 3775.7039 6534.3809 301.0172 PRESSURE: 268800 0 0 0 0 0 0 0 0 0 GPRESSURE: 268800 0 0 0 0 0 0 0 0 0 PRESSAVG: 268800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268800 0 0 0 0 0 0 0 0 0 TIMING: 268800 CPU: 1071.14, 0.00400352/step Wall: 1071.14, 0.00400352/step, 0.257115 hours remaining, 109.511719 MB of memory in use. ENERGY: 268800 675.6702 1832.3588 2056.7038 111.7085 -13.3608 -1046.6520 165.9604 0.0000 2702.7401 6485.1291 298.5252 3782.3890 6518.7663 300.1495 PRESSURE: 268900 0 0 0 0 0 0 0 0 0 GPRESSURE: 268900 0 0 0 0 0 0 0 0 0 PRESSAVG: 268900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 268900 0 0 0 0 0 0 0 0 0 TIMING: 268900 CPU: 1071.54, 0.00397455/step Wall: 1071.54, 0.00397455/step, 0.255144 hours remaining, 109.511719 MB of memory in use. ENERGY: 268900 634.3887 1859.2165 1998.2586 101.0772 -14.4147 -1052.1206 163.9975 0.0000 2766.5030 6456.9062 305.5680 3690.4032 6493.6211 300.0668 PRESSURE: 269000 0 0 0 0 0 0 0 0 0 GPRESSURE: 269000 0 0 0 0 0 0 0 0 0 PRESSAVG: 269000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269000 0 0 0 0 0 0 0 0 0 TIMING: 269000 CPU: 1071.94, 0.00398427/step Wall: 1071.94, 0.00398427/step, 0.255657 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 269000 672.2923 1881.5571 2024.6657 102.2198 -13.6702 -1050.5457 177.3442 0.0000 2660.4860 6454.3492 293.8581 3793.8632 6485.8858 298.0963 PRESSURE: 269100 0 0 0 0 0 0 0 0 0 GPRESSURE: 269100 0 0 0 0 0 0 0 0 0 PRESSAVG: 269100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269100 0 0 0 0 0 0 0 0 0 TIMING: 269100 CPU: 1072.34, 0.00397945/step Wall: 1072.34, 0.00397945/step, 0.255237 hours remaining, 109.511719 MB of memory in use. ENERGY: 269100 659.1364 1863.7712 2028.4263 106.4879 -14.7931 -1023.4962 166.2091 0.0000 2703.0555 6488.7971 298.5600 3785.7416 6517.9662 299.1221 PRESSURE: 269200 0 0 0 0 0 0 0 0 0 GPRESSURE: 269200 0 0 0 0 0 0 0 0 0 PRESSAVG: 269200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269200 0 0 0 0 0 0 0 0 0 TIMING: 269200 CPU: 1072.73, 0.00397449/step Wall: 1072.73, 0.00397449/step, 0.254809 hours remaining, 109.511719 MB of memory in use. ENERGY: 269200 639.0376 1863.5879 2036.2942 103.4879 -14.5048 -1047.0111 181.2455 0.0000 2729.7124 6491.8495 301.5043 3762.1371 6524.6974 302.0460 PRESSURE: 269300 0 0 0 0 0 0 0 0 0 GPRESSURE: 269300 0 0 0 0 0 0 0 0 0 PRESSAVG: 269300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269300 0 0 0 0 0 0 0 0 0 TIMING: 269300 CPU: 1073.13, 0.00398208/step Wall: 1073.13, 0.00398208/step, 0.255185 hours remaining, 109.511719 MB of memory in use. ENERGY: 269300 644.4725 1868.2084 2073.5667 114.3933 -14.3592 -1059.6188 165.3906 0.0000 2774.7002 6566.7537 306.4734 3792.0535 6599.2896 300.8954 PRESSURE: 269400 0 0 0 0 0 0 0 0 0 GPRESSURE: 269400 0 0 0 0 0 0 0 0 0 PRESSAVG: 269400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269400 0 0 0 0 0 0 0 0 0 TIMING: 269400 CPU: 1073.53, 0.00397553/step Wall: 1073.53, 0.00397553/step, 0.254655 hours remaining, 109.511719 MB of memory in use. ENERGY: 269400 656.7109 1895.1580 2052.7983 98.5941 -15.2431 -1065.6285 174.5272 0.0000 2773.2678 6570.1849 306.3152 3796.9171 6603.2948 305.3161 PRESSURE: 269500 0 0 0 0 0 0 0 0 0 GPRESSURE: 269500 0 0 0 0 0 0 0 0 0 PRESSAVG: 269500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269500 0 0 0 0 0 0 0 0 0 TIMING: 269500 CPU: 1073.93, 0.00398606/step Wall: 1073.93, 0.00398606/step, 0.255219 hours remaining, 109.511719 MB of memory in use. ENERGY: 269500 663.4200 1902.1250 2023.0242 102.6309 -13.7062 -1061.5833 170.4488 0.0000 2746.4740 6532.8335 303.3557 3786.3594 6566.4169 303.4760 PRESSURE: 269600 0 0 0 0 0 0 0 0 0 GPRESSURE: 269600 0 0 0 0 0 0 0 0 0 PRESSAVG: 269600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269600 0 0 0 0 0 0 0 0 0 TIMING: 269600 CPU: 1074.32, 0.00397659/step Wall: 1074.32, 0.00397659/step, 0.254502 hours remaining, 109.511719 MB of memory in use. ENERGY: 269600 649.6834 1854.8849 2016.4192 114.6457 -15.0660 -1000.6094 167.9856 0.0000 2715.2846 6503.2280 299.9107 3787.9434 6536.0856 301.4162 PRESSURE: 269700 0 0 0 0 0 0 0 0 0 GPRESSURE: 269700 0 0 0 0 0 0 0 0 0 PRESSAVG: 269700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269700 0 0 0 0 0 0 0 0 0 TIMING: 269700 CPU: 1074.72, 0.00397408/step Wall: 1074.72, 0.00397408/step, 0.254231 hours remaining, 109.511719 MB of memory in use. ENERGY: 269700 692.2940 1913.9903 2032.6347 98.5059 -15.7590 -1048.3996 159.3279 0.0000 2696.4094 6529.0036 297.8259 3832.5942 6564.1433 302.1559 PRESSURE: 269800 0 0 0 0 0 0 0 0 0 GPRESSURE: 269800 0 0 0 0 0 0 0 0 0 PRESSAVG: 269800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269800 0 0 0 0 0 0 0 0 0 TIMING: 269800 CPU: 1075.12, 0.00398455/step Wall: 1075.12, 0.00398455/step, 0.25479 hours remaining, 109.511719 MB of memory in use. ENERGY: 269800 602.6900 1930.9759 2019.3314 102.8522 -15.0357 -1036.0023 168.8572 0.0000 2735.5785 6509.2474 302.1523 3773.6689 6545.3503 301.9911 PRESSURE: 269900 0 0 0 0 0 0 0 0 0 GPRESSURE: 269900 0 0 0 0 0 0 0 0 0 PRESSAVG: 269900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 269900 0 0 0 0 0 0 0 0 0 TIMING: 269900 CPU: 1075.52, 0.00397977/step Wall: 1075.52, 0.00397977/step, 0.254374 hours remaining, 109.511719 MB of memory in use. ENERGY: 269900 657.8633 1885.8748 1992.5862 96.2950 -15.5227 -1024.8344 161.5343 0.0000 2707.7876 6461.5841 299.0827 3753.7965 6489.9450 299.5749 PRESSURE: 270000 0 0 0 0 0 0 0 0 0 GPRESSURE: 270000 0 0 0 0 0 0 0 0 0 PRESSAVG: 270000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270000 0 0 0 0 0 0 0 0 0 TIMING: 270000 CPU: 1075.92, 0.00398481/step Wall: 1075.92, 0.00398481/step, 0.254585 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 270000 626.0542 1856.4243 1998.6382 110.6567 -15.1686 -1023.8886 163.9847 0.0000 2728.5093 6445.2102 301.3715 3716.7009 6480.8881 300.2296 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 270000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 270000 WRITING COORDINATES TO RESTART FILE AT STEP 270000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 270000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 270100 0 0 0 0 0 0 0 0 0 GPRESSURE: 270100 0 0 0 0 0 0 0 0 0 PRESSAVG: 270100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270100 0 0 0 0 0 0 0 0 0 TIMING: 270100 CPU: 1076.35, 0.00433604/step Wall: 1076.35, 0.00433604/step, 0.276904 hours remaining, 109.511719 MB of memory in use. ENERGY: 270100 653.4076 1879.7176 2029.3907 103.4450 -14.4898 -1014.5609 170.4415 0.0000 2673.9007 6481.2526 295.3398 3807.3519 6513.8682 298.3949 PRESSURE: 270200 0 0 0 0 0 0 0 0 0 GPRESSURE: 270200 0 0 0 0 0 0 0 0 0 PRESSAVG: 270200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270200 0 0 0 0 0 0 0 0 0 TIMING: 270200 CPU: 1076.75, 0.0039732/step Wall: 1076.75, 0.0039732/step, 0.253623 hours remaining, 109.511719 MB of memory in use. ENERGY: 270200 652.4621 1875.8732 2013.9305 101.4401 -15.5376 -998.2641 156.8301 0.0000 2705.0477 6491.7820 298.7801 3786.7343 6523.0105 298.8962 PRESSURE: 270300 0 0 0 0 0 0 0 0 0 GPRESSURE: 270300 0 0 0 0 0 0 0 0 0 PRESSAVG: 270300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270300 0 0 0 0 0 0 0 0 0 TIMING: 270300 CPU: 1077.15, 0.00398614/step Wall: 1077.15, 0.00398614/step, 0.254338 hours remaining, 109.511719 MB of memory in use. ENERGY: 270300 662.9779 1918.6721 2011.0883 109.7841 -15.3372 -1049.5056 166.9719 0.0000 2672.5744 6477.2259 295.1933 3804.6515 6509.0640 300.8994 PRESSURE: 270400 0 0 0 0 0 0 0 0 0 GPRESSURE: 270400 0 0 0 0 0 0 0 0 0 PRESSAVG: 270400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270400 0 0 0 0 0 0 0 0 0 TIMING: 270400 CPU: 1077.54, 0.00397647/step Wall: 1077.54, 0.00397647/step, 0.253611 hours remaining, 109.511719 MB of memory in use. ENERGY: 270400 662.7727 1860.8124 2048.0458 103.0378 -15.2902 -1062.7255 168.5330 0.0000 2678.8136 6443.9996 295.8824 3765.1860 6476.9137 299.1780 PRESSURE: 270500 0 0 0 0 0 0 0 0 0 GPRESSURE: 270500 0 0 0 0 0 0 0 0 0 PRESSAVG: 270500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270500 0 0 0 0 0 0 0 0 0 TIMING: 270500 CPU: 1077.94, 0.00398362/step Wall: 1077.94, 0.00398362/step, 0.253956 hours remaining, 109.511719 MB of memory in use. ENERGY: 270500 665.0355 1883.9883 1997.0652 94.0174 -16.0825 -1068.8570 153.5570 0.0000 2724.2501 6432.9740 300.9010 3708.7239 6465.8938 297.3137 PRESSURE: 270600 0 0 0 0 0 0 0 0 0 GPRESSURE: 270600 0 0 0 0 0 0 0 0 0 PRESSAVG: 270600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270600 0 0 0 0 0 0 0 0 0 TIMING: 270600 CPU: 1078.34, 0.0039762/step Wall: 1078.34, 0.0039762/step, 0.253372 hours remaining, 109.511719 MB of memory in use. ENERGY: 270600 629.9515 1859.8567 2014.1854 101.1483 -16.4018 -1017.7220 146.8937 0.0000 2691.7808 6409.6927 297.3147 3717.9119 6445.2658 296.1494 PRESSURE: 270700 0 0 0 0 0 0 0 0 0 GPRESSURE: 270700 0 0 0 0 0 0 0 0 0 PRESSAVG: 270700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270700 0 0 0 0 0 0 0 0 0 TIMING: 270700 CPU: 1078.74, 0.00397629/step Wall: 1078.74, 0.00397629/step, 0.253268 hours remaining, 109.511719 MB of memory in use. ENERGY: 270700 637.3044 1878.9753 2046.7981 103.1067 -15.3889 -1035.2787 160.8332 0.0000 2665.7819 6442.1319 294.4430 3776.3500 6475.2307 297.8538 PRESSURE: 270800 0 0 0 0 0 0 0 0 0 GPRESSURE: 270800 0 0 0 0 0 0 0 0 0 PRESSAVG: 270800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270800 0 0 0 0 0 0 0 0 0 TIMING: 270800 CPU: 1079.14, 0.00398739/step Wall: 1079.14, 0.00398739/step, 0.253864 hours remaining, 109.511719 MB of memory in use. ENERGY: 270800 651.0969 1856.4142 2017.4705 106.3037 -15.5145 -1020.7571 152.7925 0.0000 2660.4479 6408.2542 293.8539 3747.8064 6443.6267 297.4175 PRESSURE: 270900 0 0 0 0 0 0 0 0 0 GPRESSURE: 270900 0 0 0 0 0 0 0 0 0 PRESSAVG: 270900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 270900 0 0 0 0 0 0 0 0 0 TIMING: 270900 CPU: 1079.53, 0.00397703/step Wall: 1079.53, 0.00397702/step, 0.253093 hours remaining, 109.511719 MB of memory in use. ENERGY: 270900 645.7021 1886.4475 2028.8302 105.7453 -16.7683 -1032.3622 164.9820 0.0000 2618.5890 6401.1655 289.2305 3782.5765 6433.2579 294.5600 PRESSURE: 271000 0 0 0 0 0 0 0 0 0 GPRESSURE: 271000 0 0 0 0 0 0 0 0 0 PRESSAVG: 271000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271000 0 0 0 0 0 0 0 0 0 TIMING: 271000 CPU: 1079.93, 0.00398549/step Wall: 1079.93, 0.0039855/step, 0.253522 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 271000 647.5816 1863.0794 2020.4475 101.9791 -15.4938 -1029.8592 156.2140 0.0000 2702.9176 6446.8662 298.5448 3743.9486 6475.1920 296.3041 PRESSURE: 271100 0 0 0 0 0 0 0 0 0 GPRESSURE: 271100 0 0 0 0 0 0 0 0 0 PRESSAVG: 271100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271100 0 0 0 0 0 0 0 0 0 TIMING: 271100 CPU: 1080.33, 0.0039754/step Wall: 1080.33, 0.0039754/step, 0.252769 hours remaining, 109.511719 MB of memory in use. ENERGY: 271100 621.8855 1896.9096 1992.9717 96.8628 -15.7089 -1039.5047 156.8393 0.0000 2744.5110 6454.7664 303.1389 3710.2553 6487.6781 297.0424 PRESSURE: 271200 0 0 0 0 0 0 0 0 0 GPRESSURE: 271200 0 0 0 0 0 0 0 0 0 PRESSAVG: 271200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271200 0 0 0 0 0 0 0 0 0 TIMING: 271200 CPU: 1080.73, 0.00397442/step Wall: 1080.73, 0.00397442/step, 0.252597 hours remaining, 109.511719 MB of memory in use. ENERGY: 271200 631.0233 1818.7014 2014.4505 92.3784 -14.7259 -1018.4789 163.7287 0.0000 2775.2270 6462.3044 306.5316 3687.0774 6499.3885 299.2325 PRESSURE: 271300 0 0 0 0 0 0 0 0 0 GPRESSURE: 271300 0 0 0 0 0 0 0 0 0 PRESSAVG: 271300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271300 0 0 0 0 0 0 0 0 0 TIMING: 271300 CPU: 1081.13, 0.00398442/step Wall: 1081.13, 0.00398442/step, 0.253121 hours remaining, 109.511719 MB of memory in use. ENERGY: 271300 646.8036 1907.1380 2005.3046 113.3979 -15.0787 -1074.5140 159.0069 0.0000 2715.4399 6457.4981 299.9279 3742.0582 6490.9947 299.6581 PRESSURE: 271400 0 0 0 0 0 0 0 0 0 GPRESSURE: 271400 0 0 0 0 0 0 0 0 0 PRESSAVG: 271400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271400 0 0 0 0 0 0 0 0 0 TIMING: 271400 CPU: 1081.52, 0.00397789/step Wall: 1081.52, 0.00397788/step, 0.252595 hours remaining, 109.511719 MB of memory in use. ENERGY: 271400 660.1594 1854.4128 2021.5484 107.3226 -16.0768 -1066.3567 155.4224 0.0000 2693.6733 6410.1055 297.5237 3716.4322 6443.9114 296.2104 PRESSURE: 271500 0 0 0 0 0 0 0 0 0 GPRESSURE: 271500 0 0 0 0 0 0 0 0 0 PRESSAVG: 271500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271500 0 0 0 0 0 0 0 0 0 TIMING: 271500 CPU: 1081.92, 0.00398256/step Wall: 1081.92, 0.00398256/step, 0.252782 hours remaining, 109.511719 MB of memory in use. ENERGY: 271500 681.1172 1863.9829 2014.2487 90.1039 -14.0402 -1056.1977 168.0336 0.0000 2679.5931 6426.8416 295.9685 3747.2485 6459.8790 296.0957 PRESSURE: 271600 0 0 0 0 0 0 0 0 0 GPRESSURE: 271600 0 0 0 0 0 0 0 0 0 PRESSAVG: 271600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271600 0 0 0 0 0 0 0 0 0 TIMING: 271600 CPU: 1082.32, 0.00398332/step Wall: 1082.32, 0.00398333/step, 0.25272 hours remaining, 109.511719 MB of memory in use. ENERGY: 271600 632.3774 1845.0489 2006.2653 102.9269 -15.9290 -1024.4693 144.9464 0.0000 2730.8102 6421.9767 301.6256 3691.1665 6456.0370 298.3891 PRESSURE: 271700 0 0 0 0 0 0 0 0 0 GPRESSURE: 271700 0 0 0 0 0 0 0 0 0 PRESSAVG: 271700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271700 0 0 0 0 0 0 0 0 0 TIMING: 271700 CPU: 1082.72, 0.00397704/step Wall: 1082.72, 0.00397704/step, 0.252211 hours remaining, 109.511719 MB of memory in use. ENERGY: 271700 644.8336 1840.2827 2012.9091 100.9277 -14.2326 -1027.5901 174.8831 0.0000 2687.4311 6419.4446 296.8343 3732.0135 6451.9166 297.1512 PRESSURE: 271800 0 0 0 0 0 0 0 0 0 GPRESSURE: 271800 0 0 0 0 0 0 0 0 0 PRESSAVG: 271800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271800 0 0 0 0 0 0 0 0 0 TIMING: 271800 CPU: 1083.12, 0.00398455/step Wall: 1083.12, 0.00398455/step, 0.252576 hours remaining, 109.511719 MB of memory in use. ENERGY: 271800 645.4491 1921.8522 2008.7374 104.8067 -13.6365 -1056.4993 159.7720 0.0000 2653.5752 6424.0568 293.0948 3770.4817 6454.9633 296.4891 PRESSURE: 271900 0 0 0 0 0 0 0 0 0 GPRESSURE: 271900 0 0 0 0 0 0 0 0 0 PRESSAVG: 271900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 271900 0 0 0 0 0 0 0 0 0 TIMING: 271900 CPU: 1083.51, 0.00397776/step Wall: 1083.51, 0.00397776/step, 0.252035 hours remaining, 109.511719 MB of memory in use. ENERGY: 271900 680.3969 1833.6867 2023.3943 101.6113 -13.3447 -1056.4951 167.8794 0.0000 2711.6716 6448.8004 299.5117 3737.1289 6481.7159 297.2151 PRESSURE: 272000 0 0 0 0 0 0 0 0 0 GPRESSURE: 272000 0 0 0 0 0 0 0 0 0 PRESSAVG: 272000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272000 0 0 0 0 0 0 0 0 0 TIMING: 272000 CPU: 1083.91, 0.0039765/step Wall: 1083.91, 0.0039765/step, 0.251845 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 272000 612.6551 1933.8911 1982.2489 100.3654 -14.8732 -1029.6577 162.8809 0.0000 2712.3842 6459.8948 299.5904 3747.5106 6490.7301 296.5022 PRESSURE: 272100 0 0 0 0 0 0 0 0 0 GPRESSURE: 272100 0 0 0 0 0 0 0 0 0 PRESSAVG: 272100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272100 0 0 0 0 0 0 0 0 0 TIMING: 272100 CPU: 1084.31, 0.00398639/step Wall: 1084.31, 0.00398639/step, 0.252361 hours remaining, 109.511719 MB of memory in use. ENERGY: 272100 655.6162 1922.5136 2042.1816 105.3205 -15.1322 -1053.6960 160.7892 0.0000 2696.2617 6513.8546 297.8096 3817.5929 6547.9291 299.0845 PRESSURE: 272200 0 0 0 0 0 0 0 0 0 GPRESSURE: 272200 0 0 0 0 0 0 0 0 0 PRESSAVG: 272200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272200 0 0 0 0 0 0 0 0 0 TIMING: 272200 CPU: 1084.71, 0.00397639/step Wall: 1084.71, 0.00397639/step, 0.251617 hours remaining, 109.511719 MB of memory in use. ENERGY: 272200 659.9420 1928.9905 2026.8020 107.8919 -15.6011 -1054.1481 174.3933 0.0000 2681.8541 6510.1246 296.2183 3828.2705 6545.7645 301.2395 LDB: ============= START OF LOAD BALANCING ============== 1087.48 LDB: ============== END OF LOAD BALANCING =============== 1087.48 LDB: =============== DONE WITH MIGRATION ================ 1087.48 PRESSURE: 272300 0 0 0 0 0 0 0 0 0 GPRESSURE: 272300 0 0 0 0 0 0 0 0 0 PRESSAVG: 272300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272300 0 0 0 0 0 0 0 0 0 TIMING: 272300 CPU: 1085.11, 0.00398631/step Wall: 1085.11, 0.00398631/step, 0.252134 hours remaining, 109.511719 MB of memory in use. ENERGY: 272300 672.8952 1876.1842 2044.0505 96.5765 -14.4316 -1042.2467 150.2434 0.0000 2730.0766 6513.3483 301.5446 3783.2717 6545.7213 301.4505 LDB: ============= START OF LOAD BALANCING ============== 1087.88 LDB: ============== END OF LOAD BALANCING =============== 1087.88 LDB: =============== DONE WITH MIGRATION ================ 1087.88 PRESSURE: 272400 0 0 0 0 0 0 0 0 0 GPRESSURE: 272400 0 0 0 0 0 0 0 0 0 PRESSAVG: 272400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272400 0 0 0 0 0 0 0 0 0 TIMING: 272400 CPU: 1085.51, 0.00398465/step Wall: 1085.51, 0.00398464/step, 0.251918 hours remaining, 109.511719 MB of memory in use. ENERGY: 272400 711.4930 1893.9227 2012.9049 101.1370 -14.8305 -1067.4583 159.5560 0.0000 2695.5955 6492.3203 297.7360 3796.7248 6525.8143 300.2135 PRESSURE: 272500 0 0 0 0 0 0 0 0 0 GPRESSURE: 272500 0 0 0 0 0 0 0 0 0 PRESSAVG: 272500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272500 0 0 0 0 0 0 0 0 0 TIMING: 272500 CPU: 1085.9, 0.00397358/step Wall: 1085.9, 0.00397359/step, 0.251109 hours remaining, 109.511719 MB of memory in use. ENERGY: 272500 643.7199 1921.4310 2000.3779 94.2974 -14.8923 -1017.6301 155.3621 0.0000 2683.7659 6466.4319 296.4294 3782.6660 6499.0059 300.4548 PRESSURE: 272600 0 0 0 0 0 0 0 0 0 GPRESSURE: 272600 0 0 0 0 0 0 0 0 0 PRESSAVG: 272600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272600 0 0 0 0 0 0 0 0 0 TIMING: 272600 CPU: 1086.3, 0.00398744/step Wall: 1086.3, 0.00398744/step, 0.251873 hours remaining, 109.511719 MB of memory in use. ENERGY: 272600 705.0061 1919.6951 2004.9688 113.0098 -14.9778 -1074.0785 160.6434 0.0000 2627.3184 6441.5853 290.1946 3814.2670 6474.0974 296.8080 PRESSURE: 272700 0 0 0 0 0 0 0 0 0 GPRESSURE: 272700 0 0 0 0 0 0 0 0 0 PRESSAVG: 272700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272700 0 0 0 0 0 0 0 0 0 TIMING: 272700 CPU: 1086.7, 0.00397355/step Wall: 1086.7, 0.00397355/step, 0.250886 hours remaining, 109.511719 MB of memory in use. ENERGY: 272700 647.1938 1939.2882 1977.9955 95.4801 -14.9328 -1072.1563 168.3649 0.0000 2671.8959 6413.1294 295.1183 3741.2335 6445.8446 297.7423 PRESSURE: 272800 0 0 0 0 0 0 0 0 0 GPRESSURE: 272800 0 0 0 0 0 0 0 0 0 PRESSAVG: 272800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272800 0 0 0 0 0 0 0 0 0 TIMING: 272800 CPU: 1087.1, 0.00398433/step Wall: 1087.1, 0.00398433/step, 0.251455 hours remaining, 109.511719 MB of memory in use. ENERGY: 272800 668.3250 1813.2533 2000.0213 101.2730 -14.4789 -1055.4983 145.6300 0.0000 2778.5534 6437.0788 306.8990 3658.5255 6470.6219 297.2388 PRESSURE: 272900 0 0 0 0 0 0 0 0 0 GPRESSURE: 272900 0 0 0 0 0 0 0 0 0 PRESSAVG: 272900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 272900 0 0 0 0 0 0 0 0 0 TIMING: 272900 CPU: 1087.5, 0.00397781/step Wall: 1087.5, 0.00397781/step, 0.250933 hours remaining, 109.511719 MB of memory in use. ENERGY: 272900 678.5647 1877.2149 2004.1393 99.3130 -14.1899 -1025.8576 166.3307 0.0000 2665.2874 6450.8024 294.3884 3785.5150 6483.3993 298.3211 PRESSURE: 273000 0 0 0 0 0 0 0 0 0 GPRESSURE: 273000 0 0 0 0 0 0 0 0 0 PRESSAVG: 273000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273000 0 0 0 0 0 0 0 0 0 TIMING: 273000 CPU: 1087.89, 0.00397641/step Wall: 1087.89, 0.00397641/step, 0.250735 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 273000 627.5396 1904.1934 2007.0142 108.0140 -13.6279 -1039.4964 166.1824 0.0000 2688.2285 6448.0478 296.9223 3759.8193 6480.1011 298.6528 PRESSURE: 273100 0 0 0 0 0 0 0 0 0 GPRESSURE: 273100 0 0 0 0 0 0 0 0 0 PRESSAVG: 273100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273100 0 0 0 0 0 0 0 0 0 TIMING: 273100 CPU: 1088.29, 0.00398547/step Wall: 1088.29, 0.00398547/step, 0.251195 hours remaining, 109.511719 MB of memory in use. ENERGY: 273100 697.6991 1860.6680 2018.2142 105.2605 -15.5352 -1041.8525 159.2248 0.0000 2691.4174 6475.0963 297.2745 3783.6789 6503.0133 297.2390 PRESSURE: 273200 0 0 0 0 0 0 0 0 0 GPRESSURE: 273200 0 0 0 0 0 0 0 0 0 PRESSAVG: 273200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273200 0 0 0 0 0 0 0 0 0 TIMING: 273200 CPU: 1088.69, 0.00397689/step Wall: 1088.69, 0.00397689/step, 0.250544 hours remaining, 109.511719 MB of memory in use. ENERGY: 273200 667.9979 1834.3646 2003.3598 109.2801 -15.1900 -1039.7931 158.9941 0.0000 2748.8172 6467.8306 303.6145 3719.0134 6501.5581 299.5530 PRESSURE: 273300 0 0 0 0 0 0 0 0 0 GPRESSURE: 273300 0 0 0 0 0 0 0 0 0 PRESSAVG: 273300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273300 0 0 0 0 0 0 0 0 0 TIMING: 273300 CPU: 1089.09, 0.00398881/step Wall: 1089.09, 0.00398881/step, 0.251184 hours remaining, 109.511719 MB of memory in use. ENERGY: 273300 636.0311 1848.8878 2006.6866 111.8072 -15.3352 -1046.4038 166.2379 0.0000 2724.0648 6431.9762 300.8805 3707.9115 6468.0506 297.9872 PRESSURE: 273400 0 0 0 0 0 0 0 0 0 GPRESSURE: 273400 0 0 0 0 0 0 0 0 0 PRESSAVG: 273400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273400 0 0 0 0 0 0 0 0 0 TIMING: 273400 CPU: 1089.49, 0.00397744/step Wall: 1089.49, 0.00397744/step, 0.250358 hours remaining, 109.511719 MB of memory in use. ENERGY: 273400 662.0804 1883.4629 2011.8411 99.2628 -14.4776 -1054.9578 166.0932 0.0000 2688.6234 6441.9284 296.9659 3753.3049 6474.6991 297.4144 PRESSURE: 273500 0 0 0 0 0 0 0 0 0 GPRESSURE: 273500 0 0 0 0 0 0 0 0 0 PRESSAVG: 273500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273500 0 0 0 0 0 0 0 0 0 TIMING: 273500 CPU: 1089.88, 0.00397557/step Wall: 1089.88, 0.00397557/step, 0.25013 hours remaining, 109.511719 MB of memory in use. ENERGY: 273500 670.8067 1877.1731 1983.2885 91.9698 -16.0751 -1059.4928 159.1804 0.0000 2693.0592 6399.9098 297.4559 3706.8506 6433.4389 297.3400 PRESSURE: 273600 0 0 0 0 0 0 0 0 0 GPRESSURE: 273600 0 0 0 0 0 0 0 0 0 PRESSAVG: 273600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273600 0 0 0 0 0 0 0 0 0 TIMING: 273600 CPU: 1090.28, 0.00398697/step Wall: 1090.28, 0.00398697/step, 0.250736 hours remaining, 109.511719 MB of memory in use. ENERGY: 273600 666.7604 1867.0061 1998.7011 102.5874 -15.3856 -1053.8930 165.6762 0.0000 2658.8932 6390.3458 293.6822 3731.4526 6424.0926 294.7657 PRESSURE: 273700 0 0 0 0 0 0 0 0 0 GPRESSURE: 273700 0 0 0 0 0 0 0 0 0 PRESSAVG: 273700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273700 0 0 0 0 0 0 0 0 0 TIMING: 273700 CPU: 1090.68, 0.00397398/step Wall: 1090.68, 0.00397398/step, 0.249809 hours remaining, 109.511719 MB of memory in use. ENERGY: 273700 650.4092 1839.5431 2025.1862 98.7412 -14.8663 -1030.4340 167.5076 0.0000 2671.7029 6407.7898 295.0970 3736.0869 6441.3269 295.5823 PRESSURE: 273800 0 0 0 0 0 0 0 0 0 GPRESSURE: 273800 0 0 0 0 0 0 0 0 0 PRESSAVG: 273800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273800 0 0 0 0 0 0 0 0 0 TIMING: 273800 CPU: 1091.08, 0.00398547/step Wall: 1091.08, 0.00398547/step, 0.25042 hours remaining, 109.511719 MB of memory in use. ENERGY: 273800 628.7893 1866.0293 2008.8679 103.8128 -14.5039 -1009.7554 151.2213 0.0000 2684.6419 6419.1031 296.5262 3734.4612 6454.0525 295.7405 PRESSURE: 273900 0 0 0 0 0 0 0 0 0 GPRESSURE: 273900 0 0 0 0 0 0 0 0 0 PRESSAVG: 273900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 273900 0 0 0 0 0 0 0 0 0 TIMING: 273900 CPU: 1091.48, 0.00400474/step Wall: 1091.48, 0.00400474/step, 0.25152 hours remaining, 109.511719 MB of memory in use. ENERGY: 273900 639.6038 1863.3556 2010.1563 106.7465 -14.8587 -1023.0149 170.1948 0.0000 2752.9925 6505.1758 304.0757 3752.1833 6537.4948 299.3691 PRESSURE: 274000 0 0 0 0 0 0 0 0 0 GPRESSURE: 274000 0 0 0 0 0 0 0 0 0 PRESSAVG: 274000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274000 0 0 0 0 0 0 0 0 0 TIMING: 274000 CPU: 1091.88, 0.003979/step Wall: 1091.88, 0.003979/step, 0.249793 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 274000 661.8678 1869.4028 2040.0709 122.2561 -14.6701 -1045.8025 149.1075 0.0000 2700.4387 6482.6713 298.2710 3782.2326 6513.6257 300.0835 PRESSURE: 274100 0 0 0 0 0 0 0 0 0 GPRESSURE: 274100 0 0 0 0 0 0 0 0 0 PRESSAVG: 274100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274100 0 0 0 0 0 0 0 0 0 TIMING: 274100 CPU: 1092.28, 0.00398915/step Wall: 1092.28, 0.00398915/step, 0.250319 hours remaining, 109.511719 MB of memory in use. ENERGY: 274100 647.4125 1877.8280 2021.3814 117.3571 -14.9499 -1008.5954 163.4645 0.0000 2678.3852 6482.2833 295.8351 3803.8981 6513.1146 299.8696 PRESSURE: 274200 0 0 0 0 0 0 0 0 0 GPRESSURE: 274200 0 0 0 0 0 0 0 0 0 PRESSAVG: 274200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274200 0 0 0 0 0 0 0 0 0 TIMING: 274200 CPU: 1092.67, 0.00397829/step Wall: 1092.67, 0.00397829/step, 0.249527 hours remaining, 109.511719 MB of memory in use. ENERGY: 274200 665.7445 1905.0635 2027.2302 110.7712 -14.8109 -1059.3323 163.5732 0.0000 2708.8030 6507.0423 299.1948 3798.2393 6538.3124 300.0069 PRESSURE: 274300 0 0 0 0 0 0 0 0 0 GPRESSURE: 274300 0 0 0 0 0 0 0 0 0 PRESSAVG: 274300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274300 0 0 0 0 0 0 0 0 0 TIMING: 274300 CPU: 1093.07, 0.00398816/step Wall: 1093.07, 0.00398816/step, 0.250036 hours remaining, 109.511719 MB of memory in use. ENERGY: 274300 649.2042 1868.3270 2018.3705 113.6620 -13.2041 -1029.9549 162.7186 0.0000 2750.5121 6519.6355 303.8017 3769.1234 6553.9747 301.2116 PRESSURE: 274400 0 0 0 0 0 0 0 0 0 GPRESSURE: 274400 0 0 0 0 0 0 0 0 0 PRESSAVG: 274400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274400 0 0 0 0 0 0 0 0 0 TIMING: 274400 CPU: 1093.47, 0.00397569/step Wall: 1093.47, 0.00397569/step, 0.249143 hours remaining, 109.511719 MB of memory in use. ENERGY: 274400 645.7489 1894.6777 2049.5979 114.8260 -14.3731 -1058.6267 155.7424 0.0000 2707.1412 6494.7342 299.0113 3787.5931 6526.6174 301.9995 PRESSURE: 274500 0 0 0 0 0 0 0 0 0 GPRESSURE: 274500 0 0 0 0 0 0 0 0 0 PRESSAVG: 274500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274500 0 0 0 0 0 0 0 0 0 TIMING: 274500 CPU: 1093.87, 0.00397721/step Wall: 1093.87, 0.00397721/step, 0.249128 hours remaining, 109.511719 MB of memory in use. ENERGY: 274500 634.4821 1900.1621 2044.3100 127.3046 -14.2064 -1061.5900 163.0330 0.0000 2738.3820 6531.8774 302.4619 3793.4955 6565.0489 301.5040 PRESSURE: 274600 0 0 0 0 0 0 0 0 0 GPRESSURE: 274600 0 0 0 0 0 0 0 0 0 PRESSAVG: 274600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274600 0 0 0 0 0 0 0 0 0 TIMING: 274600 CPU: 1094.27, 0.00398948/step Wall: 1094.27, 0.00398948/step, 0.249786 hours remaining, 109.511719 MB of memory in use. ENERGY: 274600 664.7714 1885.9038 2023.6254 117.3814 -14.4019 -1063.2287 163.2347 0.0000 2728.3034 6505.5895 301.3487 3777.2861 6536.2099 302.1651 PRESSURE: 274700 0 0 0 0 0 0 0 0 0 GPRESSURE: 274700 0 0 0 0 0 0 0 0 0 PRESSAVG: 274700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274700 0 0 0 0 0 0 0 0 0 TIMING: 274700 CPU: 1094.66, 0.00397622/step Wall: 1094.66, 0.00397621/step, 0.248844 hours remaining, 109.511719 MB of memory in use. ENERGY: 274700 666.8277 1898.6050 2016.0869 115.7710 -14.9642 -1052.3314 166.3535 0.0000 2736.0040 6532.3526 302.1993 3796.3486 6563.8908 300.5210 PRESSURE: 274800 0 0 0 0 0 0 0 0 0 GPRESSURE: 274800 0 0 0 0 0 0 0 0 0 PRESSAVG: 274800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274800 0 0 0 0 0 0 0 0 0 TIMING: 274800 CPU: 1095.06, 0.00398502/step Wall: 1095.06, 0.00398503/step, 0.249286 hours remaining, 109.511719 MB of memory in use. ENERGY: 274800 651.5505 1947.7270 2021.4101 115.3888 -15.3036 -1077.2798 154.7732 0.0000 2735.0585 6533.3247 302.0948 3798.2662 6564.8273 302.8061 PRESSURE: 274900 0 0 0 0 0 0 0 0 0 GPRESSURE: 274900 0 0 0 0 0 0 0 0 0 PRESSAVG: 274900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 274900 0 0 0 0 0 0 0 0 0 TIMING: 274900 CPU: 1095.46, 0.003977/step Wall: 1095.46, 0.003977/step, 0.248673 hours remaining, 109.511719 MB of memory in use. ENERGY: 274900 646.0100 1890.5038 2011.9789 115.0192 -14.3076 -1037.2172 161.4989 0.0000 2779.2942 6552.7802 306.9808 3773.4860 6586.3705 303.8015 PRESSURE: 275000 0 0 0 0 0 0 0 0 0 GPRESSURE: 275000 0 0 0 0 0 0 0 0 0 PRESSAVG: 275000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275000 0 0 0 0 0 0 0 0 0 TIMING: 275000 CPU: 1095.86, 0.00397726/step Wall: 1095.86, 0.00397726/step, 0.248579 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 275000 642.9984 1938.2871 2017.6605 97.6842 -14.4766 -1065.9675 158.5497 0.0000 2774.5578 6549.2936 306.4576 3774.7359 6584.9620 304.3756 PRESSURE: 275100 0 0 0 0 0 0 0 0 0 GPRESSURE: 275100 0 0 0 0 0 0 0 0 0 PRESSAVG: 275100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275100 0 0 0 0 0 0 0 0 0 TIMING: 275100 CPU: 1096.26, 0.0039862/step Wall: 1096.26, 0.0039862/step, 0.249027 hours remaining, 109.511719 MB of memory in use. ENERGY: 275100 672.5968 1893.6120 2011.1182 119.6275 -14.7238 -1027.2331 170.5228 0.0000 2654.3161 6479.8365 293.1766 3825.5205 6511.8196 300.7978 PRESSURE: 275200 0 0 0 0 0 0 0 0 0 GPRESSURE: 275200 0 0 0 0 0 0 0 0 0 PRESSAVG: 275200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275200 0 0 0 0 0 0 0 0 0 TIMING: 275200 CPU: 1096.65, 0.00397765/step Wall: 1096.65, 0.00397765/step, 0.248382 hours remaining, 109.511719 MB of memory in use. ENERGY: 275200 676.4410 1868.0979 2011.5494 106.5178 -13.8693 -1048.2346 161.9529 0.0000 2684.5177 6446.9728 296.5125 3762.4551 6479.3994 298.7876 PRESSURE: 275300 0 0 0 0 0 0 0 0 0 GPRESSURE: 275300 0 0 0 0 0 0 0 0 0 PRESSAVG: 275300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275300 0 0 0 0 0 0 0 0 0 TIMING: 275300 CPU: 1097.05, 0.00398626/step Wall: 1097.05, 0.00398626/step, 0.248809 hours remaining, 109.511719 MB of memory in use. ENERGY: 275300 682.3920 1872.5923 2017.0804 110.9470 -14.6949 -1045.1834 159.8218 0.0000 2672.1722 6455.1275 295.1489 3782.9552 6487.7141 297.7689 PRESSURE: 275400 0 0 0 0 0 0 0 0 0 GPRESSURE: 275400 0 0 0 0 0 0 0 0 0 PRESSAVG: 275400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275400 0 0 0 0 0 0 0 0 0 TIMING: 275400 CPU: 1097.45, 0.00397736/step Wall: 1097.45, 0.00397736/step, 0.248143 hours remaining, 109.511719 MB of memory in use. ENERGY: 275400 647.9202 1855.8847 2061.9187 98.3321 -14.4606 -1046.9396 156.2306 0.0000 2688.4679 6447.3540 296.9488 3758.8861 6481.2328 298.2632 PRESSURE: 275500 0 0 0 0 0 0 0 0 0 GPRESSURE: 275500 0 0 0 0 0 0 0 0 0 PRESSAVG: 275500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275500 0 0 0 0 0 0 0 0 0 TIMING: 275500 CPU: 1097.85, 0.00397597/step Wall: 1097.85, 0.00397597/step, 0.247946 hours remaining, 109.511719 MB of memory in use. ENERGY: 275500 676.9821 1869.5223 2001.5281 103.3346 -14.3582 -1067.9656 153.6320 0.0000 2708.8939 6431.5693 299.2049 3722.6754 6466.2859 298.3339 PRESSURE: 275600 0 0 0 0 0 0 0 0 0 GPRESSURE: 275600 0 0 0 0 0 0 0 0 0 PRESSAVG: 275600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275600 0 0 0 0 0 0 0 0 0 TIMING: 275600 CPU: 1098.25, 0.00398577/step Wall: 1098.25, 0.00398577/step, 0.248446 hours remaining, 109.511719 MB of memory in use. ENERGY: 275600 625.7296 1828.1657 2024.7536 102.5734 -14.7489 -1048.9912 153.6641 0.0000 2727.6243 6398.7706 301.2737 3671.1462 6436.8953 296.8710 PRESSURE: 275700 0 0 0 0 0 0 0 0 0 GPRESSURE: 275700 0 0 0 0 0 0 0 0 0 PRESSAVG: 275700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275700 0 0 0 0 0 0 0 0 0 TIMING: 275700 CPU: 1098.64, 0.00397608/step Wall: 1098.64, 0.00397608/step, 0.247732 hours remaining, 109.511719 MB of memory in use. ENERGY: 275700 633.5465 1850.8156 2040.2984 98.7516 -14.5211 -1039.1958 163.4725 0.0000 2675.0243 6408.1921 295.4639 3733.1678 6442.2706 295.3704 PRESSURE: 275800 0 0 0 0 0 0 0 0 0 GPRESSURE: 275800 0 0 0 0 0 0 0 0 0 PRESSAVG: 275800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275800 0 0 0 0 0 0 0 0 0 TIMING: 275800 CPU: 1099.04, 0.00398641/step Wall: 1099.04, 0.00398641/step, 0.248265 hours remaining, 109.511719 MB of memory in use. ENERGY: 275800 638.3486 1889.5177 2002.1412 106.6723 -14.4284 -1048.4471 150.4193 0.0000 2695.9257 6420.1493 297.7725 3724.2236 6448.8156 296.5846 PRESSURE: 275900 0 0 0 0 0 0 0 0 0 GPRESSURE: 275900 0 0 0 0 0 0 0 0 0 PRESSAVG: 275900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 275900 0 0 0 0 0 0 0 0 0 TIMING: 275900 CPU: 1099.44, 0.00397693/step Wall: 1099.44, 0.00397693/step, 0.247564 hours remaining, 109.511719 MB of memory in use. ENERGY: 275900 666.0705 1851.8873 2010.1843 94.8331 -13.9394 -1044.7143 160.5981 0.0000 2682.3859 6407.3054 296.2770 3724.9195 6442.5051 296.1842 PRESSURE: 276000 0 0 0 0 0 0 0 0 0 GPRESSURE: 276000 0 0 0 0 0 0 0 0 0 PRESSAVG: 276000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276000 0 0 0 0 0 0 0 0 0 TIMING: 276000 CPU: 1099.84, 0.00397748/step Wall: 1099.84, 0.00397747/step, 0.247487 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 276000 632.4518 1878.3593 2008.4008 99.7832 -15.7293 -1079.8473 140.1195 0.0000 2726.0053 6389.5434 301.0949 3663.5381 6424.8998 294.7591 PRESSURE: 276100 0 0 0 0 0 0 0 0 0 GPRESSURE: 276100 0 0 0 0 0 0 0 0 0 PRESSAVG: 276100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276100 0 0 0 0 0 0 0 0 0 TIMING: 276100 CPU: 1100.24, 0.00398437/step Wall: 1100.24, 0.00398438/step, 0.247806 hours remaining, 109.511719 MB of memory in use. ENERGY: 276100 663.0569 1870.1660 2014.8796 102.7749 -14.6161 -1081.8278 144.4003 0.0000 2676.1589 6374.9928 295.5892 3698.8339 6408.0916 296.2615 PRESSURE: 276200 0 0 0 0 0 0 0 0 0 GPRESSURE: 276200 0 0 0 0 0 0 0 0 0 PRESSAVG: 276200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276200 0 0 0 0 0 0 0 0 0 TIMING: 276200 CPU: 1100.63, 0.00397605/step Wall: 1100.63, 0.00397605/step, 0.247178 hours remaining, 109.511719 MB of memory in use. ENERGY: 276200 654.0932 1884.5154 2005.2280 98.0955 -14.4395 -1061.1458 147.9366 0.0000 2650.2264 6364.5099 292.7249 3714.2835 6398.2506 294.7394 LDB: ============= START OF LOAD BALANCING ============== 1103.41 LDB: ============== END OF LOAD BALANCING =============== 1103.41 LDB: =============== DONE WITH MIGRATION ================ 1103.41 PRESSURE: 276300 0 0 0 0 0 0 0 0 0 GPRESSURE: 276300 0 0 0 0 0 0 0 0 0 PRESSAVG: 276300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276300 0 0 0 0 0 0 0 0 0 TIMING: 276300 CPU: 1101.03, 0.00398917/step Wall: 1101.03, 0.00398917/step, 0.247883 hours remaining, 109.511719 MB of memory in use. ENERGY: 276300 656.4768 1913.3320 1993.0412 112.3179 -14.2425 -1070.5434 158.3020 0.0000 2624.1169 6372.8009 289.8410 3748.6840 6403.3803 293.9907 LDB: ============= START OF LOAD BALANCING ============== 1103.81 LDB: ============== END OF LOAD BALANCING =============== 1103.81 LDB: =============== DONE WITH MIGRATION ================ 1103.81 PRESSURE: 276400 0 0 0 0 0 0 0 0 0 GPRESSURE: 276400 0 0 0 0 0 0 0 0 0 PRESSAVG: 276400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276400 0 0 0 0 0 0 0 0 0 TIMING: 276400 CPU: 1101.43, 0.00398832/step Wall: 1101.43, 0.00398832/step, 0.247719 hours remaining, 109.511719 MB of memory in use. ENERGY: 276400 654.8810 1879.4904 1995.2674 91.2451 -14.4984 -1060.7087 143.5934 0.0000 2725.7762 6415.0464 301.0696 3689.2702 6447.9223 295.4803 PRESSURE: 276500 0 0 0 0 0 0 0 0 0 GPRESSURE: 276500 0 0 0 0 0 0 0 0 0 PRESSAVG: 276500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276500 0 0 0 0 0 0 0 0 0 TIMING: 276500 CPU: 1101.83, 0.00397569/step Wall: 1101.83, 0.00397569/step, 0.246824 hours remaining, 109.511719 MB of memory in use. ENERGY: 276500 658.4434 1840.9578 1983.8515 110.6923 -15.2027 -1020.8413 151.3255 0.0000 2736.5469 6445.7733 302.2592 3709.2265 6482.5871 295.9387 PRESSURE: 276600 0 0 0 0 0 0 0 0 0 GPRESSURE: 276600 0 0 0 0 0 0 0 0 0 PRESSAVG: 276600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276600 0 0 0 0 0 0 0 0 0 TIMING: 276600 CPU: 1102.23, 0.00399198/step Wall: 1102.23, 0.00399197/step, 0.247724 hours remaining, 109.511719 MB of memory in use. ENERGY: 276600 650.5650 1896.8147 1996.8582 103.1877 -15.8849 -1043.8485 152.7753 0.0000 2710.2266 6450.6943 299.3521 3740.4677 6482.8188 298.9440 PRESSURE: 276700 0 0 0 0 0 0 0 0 0 GPRESSURE: 276700 0 0 0 0 0 0 0 0 0 PRESSAVG: 276700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276700 0 0 0 0 0 0 0 0 0 TIMING: 276700 CPU: 1102.63, 0.00397866/step Wall: 1102.63, 0.00397867/step, 0.246788 hours remaining, 109.511719 MB of memory in use. ENERGY: 276700 640.1060 1900.4937 2001.0858 99.1291 -15.5746 -1038.9881 159.7862 0.0000 2679.9155 6425.9536 296.0041 3746.0381 6461.1802 296.7518 PRESSURE: 276800 0 0 0 0 0 0 0 0 0 GPRESSURE: 276800 0 0 0 0 0 0 0 0 0 PRESSAVG: 276800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276800 0 0 0 0 0 0 0 0 0 TIMING: 276800 CPU: 1103.03, 0.00398794/step Wall: 1103.03, 0.00398794/step, 0.247252 hours remaining, 109.511719 MB of memory in use. ENERGY: 276800 667.5660 1883.0160 2000.0801 103.0041 -15.2458 -1057.8432 144.9476 0.0000 2686.8119 6412.3367 296.7659 3725.5248 6444.1677 297.5440 PRESSURE: 276900 0 0 0 0 0 0 0 0 0 GPRESSURE: 276900 0 0 0 0 0 0 0 0 0 PRESSAVG: 276900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 276900 0 0 0 0 0 0 0 0 0 TIMING: 276900 CPU: 1103.42, 0.00397572/step Wall: 1103.42, 0.00397572/step, 0.246384 hours remaining, 109.511719 MB of memory in use. ENERGY: 276900 672.2705 1865.3071 2003.2793 106.1957 -15.1928 -1039.8325 160.3394 0.0000 2680.4562 6432.8229 296.0639 3752.3667 6466.0864 297.3115 PRESSURE: 277000 0 0 0 0 0 0 0 0 0 GPRESSURE: 277000 0 0 0 0 0 0 0 0 0 PRESSAVG: 277000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277000 0 0 0 0 0 0 0 0 0 TIMING: 277000 CPU: 1103.82, 0.00397544/step Wall: 1103.82, 0.00397543/step, 0.246256 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 277000 666.7542 1926.7099 1977.7327 103.5172 -15.6149 -1074.6418 153.0100 0.0000 2734.6860 6472.1533 302.0537 3737.4673 6506.3023 298.7731 PRESSURE: 277100 0 0 0 0 0 0 0 0 0 GPRESSURE: 277100 0 0 0 0 0 0 0 0 0 PRESSAVG: 277100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277100 0 0 0 0 0 0 0 0 0 TIMING: 277100 CPU: 1104.22, 0.00398948/step Wall: 1104.22, 0.00398949/step, 0.247016 hours remaining, 109.511719 MB of memory in use. ENERGY: 277100 662.0749 1932.7285 2014.1387 104.1721 -15.6647 -1035.4315 156.6064 0.0000 2665.7219 6484.3465 294.4364 3818.6246 6517.0198 299.0131 PRESSURE: 277200 0 0 0 0 0 0 0 0 0 GPRESSURE: 277200 0 0 0 0 0 0 0 0 0 PRESSAVG: 277200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277200 0 0 0 0 0 0 0 0 0 TIMING: 277200 CPU: 1104.62, 0.0039748/step Wall: 1104.62, 0.0039748/step, 0.245996 hours remaining, 109.511719 MB of memory in use. ENERGY: 277200 680.2064 1876.9145 2023.5249 102.2162 -15.3442 -1005.4748 156.3557 0.0000 2664.9719 6483.3706 294.3536 3818.3987 6515.4236 300.0158 PRESSURE: 277300 0 0 0 0 0 0 0 0 0 GPRESSURE: 277300 0 0 0 0 0 0 0 0 0 PRESSAVG: 277300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277300 0 0 0 0 0 0 0 0 0 TIMING: 277300 CPU: 1105.02, 0.00398643/step Wall: 1105.02, 0.00398643/step, 0.246605 hours remaining, 109.511719 MB of memory in use. ENERGY: 277300 642.2327 1893.8862 2058.4489 101.1132 -14.1632 -1047.5521 154.4940 0.0000 2719.7795 6508.2392 300.4072 3788.4597 6539.5312 300.0442 PRESSURE: 277400 0 0 0 0 0 0 0 0 0 GPRESSURE: 277400 0 0 0 0 0 0 0 0 0 PRESSAVG: 277400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277400 0 0 0 0 0 0 0 0 0 TIMING: 277400 CPU: 1105.41, 0.00397545/step Wall: 1105.41, 0.00397544/step, 0.245815 hours remaining, 109.511719 MB of memory in use. ENERGY: 277400 659.2176 1847.3842 2031.0402 111.3634 -15.3632 -1039.8362 164.1384 0.0000 2762.8153 6520.7597 305.1606 3757.9444 6556.1467 302.4920 PRESSURE: 277500 0 0 0 0 0 0 0 0 0 GPRESSURE: 277500 0 0 0 0 0 0 0 0 0 PRESSAVG: 277500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277500 0 0 0 0 0 0 0 0 0 TIMING: 277500 CPU: 1105.81, 0.00397482/step Wall: 1105.81, 0.00397483/step, 0.245666 hours remaining, 109.511719 MB of memory in use. ENERGY: 277500 693.0199 1906.0859 2043.7288 107.4693 -14.8193 -1016.4833 160.0974 0.0000 2714.0214 6593.1201 299.7712 3879.0987 6623.2665 303.5369 PRESSURE: 277600 0 0 0 0 0 0 0 0 0 GPRESSURE: 277600 0 0 0 0 0 0 0 0 0 PRESSAVG: 277600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277600 0 0 0 0 0 0 0 0 0 TIMING: 277600 CPU: 1106.21, 0.00399029/step Wall: 1106.21, 0.00399029/step, 0.246511 hours remaining, 109.511719 MB of memory in use. ENERGY: 277600 653.0898 1853.1417 2033.1750 102.3029 -14.5032 -1007.5996 170.2350 0.0000 2756.1831 6546.0247 304.4281 3789.8416 6582.3748 305.7055 PRESSURE: 277700 0 0 0 0 0 0 0 0 0 GPRESSURE: 277700 0 0 0 0 0 0 0 0 0 PRESSAVG: 277700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277700 0 0 0 0 0 0 0 0 0 TIMING: 277700 CPU: 1106.61, 0.00397626/step Wall: 1106.61, 0.00397626/step, 0.245534 hours remaining, 109.511719 MB of memory in use. ENERGY: 277700 672.5423 1862.8365 2012.1008 102.1046 -15.1516 -1025.3461 157.3612 0.0000 2747.2524 6513.7000 303.4417 3766.4476 6546.3672 303.7933 PRESSURE: 277800 0 0 0 0 0 0 0 0 0 GPRESSURE: 277800 0 0 0 0 0 0 0 0 0 PRESSAVG: 277800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277800 0 0 0 0 0 0 0 0 0 TIMING: 277800 CPU: 1107.01, 0.00398877/step Wall: 1107.01, 0.00398877/step, 0.246196 hours remaining, 109.511719 MB of memory in use. ENERGY: 277800 653.6805 1920.6471 2041.3770 110.7643 -15.1277 -1072.4852 154.2465 0.0000 2711.9914 6505.0940 299.5470 3793.1026 6539.3747 301.5188 PRESSURE: 277900 0 0 0 0 0 0 0 0 0 GPRESSURE: 277900 0 0 0 0 0 0 0 0 0 PRESSAVG: 277900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 277900 0 0 0 0 0 0 0 0 0 TIMING: 277900 CPU: 1107.4, 0.00397802/step Wall: 1107.4, 0.00397802/step, 0.245422 hours remaining, 109.511719 MB of memory in use. ENERGY: 277900 650.7567 1895.9059 2038.8369 104.6553 -15.0507 -1068.1604 162.5359 0.0000 2766.9307 6536.4102 305.6152 3769.4795 6568.8406 301.2889 PRESSURE: 278000 0 0 0 0 0 0 0 0 0 GPRESSURE: 278000 0 0 0 0 0 0 0 0 0 PRESSAVG: 278000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278000 0 0 0 0 0 0 0 0 0 TIMING: 278000 CPU: 1107.8, 0.00397462/step Wall: 1107.8, 0.00397462/step, 0.245101 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 278000 638.2578 1902.0020 2019.6879 103.8999 -13.5332 -1002.5217 152.4999 0.0000 2704.2593 6504.5518 298.6930 3800.2925 6535.6441 302.8119 PRESSURE: 278100 0 0 0 0 0 0 0 0 0 GPRESSURE: 278100 0 0 0 0 0 0 0 0 0 PRESSAVG: 278100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278100 0 0 0 0 0 0 0 0 0 TIMING: 278100 CPU: 1108.2, 0.00399/step Wall: 1108.2, 0.00399/step, 0.245939 hours remaining, 109.511719 MB of memory in use. ENERGY: 278100 674.7931 1900.0410 2006.1773 103.1512 -14.4226 -1053.4712 160.1694 0.0000 2730.2447 6506.6830 301.5631 3776.4383 6537.1173 301.6445 PRESSURE: 278200 0 0 0 0 0 0 0 0 0 GPRESSURE: 278200 0 0 0 0 0 0 0 0 0 PRESSAVG: 278200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278200 0 0 0 0 0 0 0 0 0 TIMING: 278200 CPU: 1108.6, 0.00397537/step Wall: 1108.6, 0.00397537/step, 0.244927 hours remaining, 109.511719 MB of memory in use. ENERGY: 278200 652.2884 1904.7374 2012.2251 109.1792 -14.4181 -1039.1315 163.1853 0.0000 2771.3824 6559.4482 306.1069 3788.0658 6592.2191 302.6656 PRESSURE: 278300 0 0 0 0 0 0 0 0 0 GPRESSURE: 278300 0 0 0 0 0 0 0 0 0 PRESSAVG: 278300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278300 0 0 0 0 0 0 0 0 0 TIMING: 278300 CPU: 1109, 0.00398745/step Wall: 1109, 0.00398745/step, 0.24556 hours remaining, 109.511719 MB of memory in use. ENERGY: 278300 637.5833 1918.4801 2032.2484 99.9171 -14.2923 -1047.3212 152.9335 0.0000 2761.1650 6540.7140 304.9784 3779.5490 6574.1208 303.2694 PRESSURE: 278400 0 0 0 0 0 0 0 0 0 GPRESSURE: 278400 0 0 0 0 0 0 0 0 0 PRESSAVG: 278400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278400 0 0 0 0 0 0 0 0 0 TIMING: 278400 CPU: 1109.39, 0.0039773/step Wall: 1109.39, 0.0039773/step, 0.244825 hours remaining, 109.511719 MB of memory in use. ENERGY: 278400 651.3175 1912.3266 2044.0578 98.8283 -14.0952 -1054.1330 154.7805 0.0000 2744.4333 6537.5158 303.1303 3793.0825 6571.3812 302.2934 PRESSURE: 278500 0 0 0 0 0 0 0 0 0 GPRESSURE: 278500 0 0 0 0 0 0 0 0 0 PRESSAVG: 278500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278500 0 0 0 0 0 0 0 0 0 TIMING: 278500 CPU: 1109.79, 0.00397481/step Wall: 1109.79, 0.00397481/step, 0.244561 hours remaining, 109.511719 MB of memory in use. ENERGY: 278500 686.3835 1889.2870 2014.2596 103.4403 -14.4759 -1086.3122 154.7357 0.0000 2748.5938 6495.9118 303.5898 3747.3180 6528.2427 301.1515 PRESSURE: 278600 0 0 0 0 0 0 0 0 0 GPRESSURE: 278600 0 0 0 0 0 0 0 0 0 PRESSAVG: 278600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278600 0 0 0 0 0 0 0 0 0 TIMING: 278600 CPU: 1110.19, 0.00398877/step Wall: 1110.19, 0.00398877/step, 0.245309 hours remaining, 109.511719 MB of memory in use. ENERGY: 278600 642.3511 1892.5698 2035.3798 96.7031 -14.0486 -1044.9491 156.9772 0.0000 2728.2243 6493.2077 301.3400 3764.9834 6529.3545 301.1505 PRESSURE: 278700 0 0 0 0 0 0 0 0 0 GPRESSURE: 278700 0 0 0 0 0 0 0 0 0 PRESSAVG: 278700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278700 0 0 0 0 0 0 0 0 0 TIMING: 278700 CPU: 1110.59, 0.00397564/step Wall: 1110.59, 0.00397564/step, 0.244392 hours remaining, 109.511719 MB of memory in use. ENERGY: 278700 635.2760 1926.7835 2035.4628 112.8899 -14.9071 -1070.3108 161.1697 0.0000 2714.4027 6500.7666 299.8133 3786.3639 6535.5061 300.4614 PRESSURE: 278800 0 0 0 0 0 0 0 0 0 GPRESSURE: 278800 0 0 0 0 0 0 0 0 0 PRESSAVG: 278800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278800 0 0 0 0 0 0 0 0 0 TIMING: 278800 CPU: 1110.99, 0.00400162/step Wall: 1110.99, 0.00400162/step, 0.245877 hours remaining, 109.511719 MB of memory in use. ENERGY: 278800 696.6262 1864.1313 2040.2992 98.9921 -14.3595 -1045.9195 159.0204 0.0000 2738.0526 6536.8429 302.4255 3798.7903 6567.4834 302.0729 PRESSURE: 278900 0 0 0 0 0 0 0 0 0 GPRESSURE: 278900 0 0 0 0 0 0 0 0 0 PRESSAVG: 278900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 278900 0 0 0 0 0 0 0 0 0 TIMING: 278900 CPU: 1111.39, 0.00398427/step Wall: 1111.39, 0.00398427/step, 0.244701 hours remaining, 109.511719 MB of memory in use. ENERGY: 278900 606.6021 1927.4192 2056.9070 97.5229 -13.4894 -1056.2153 154.9068 0.0000 2765.2312 6538.8845 305.4275 3773.6533 6574.5275 302.7193 PRESSURE: 279000 0 0 0 0 0 0 0 0 0 GPRESSURE: 279000 0 0 0 0 0 0 0 0 0 PRESSAVG: 279000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279000 0 0 0 0 0 0 0 0 0 TIMING: 279000 CPU: 1111.78, 0.00397715/step Wall: 1111.78, 0.00397715/step, 0.244153 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 279000 658.7499 1937.3555 2019.6602 95.0429 -14.3209 -1044.9809 189.0372 0.0000 2699.8268 6540.3708 298.2034 3840.5440 6572.7430 303.9408 PRESSURE: 279100 0 0 0 0 0 0 0 0 0 GPRESSURE: 279100 0 0 0 0 0 0 0 0 0 PRESSAVG: 279100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279100 0 0 0 0 0 0 0 0 0 TIMING: 279100 CPU: 1112.18, 0.00398087/step Wall: 1112.18, 0.00398087/step, 0.244271 hours remaining, 109.511719 MB of memory in use. ENERGY: 279100 665.6473 1924.4322 2010.8795 108.4417 -14.5774 -1043.0122 156.1111 0.0000 2772.6294 6580.5517 306.2446 3807.9222 6614.4276 303.9004 PRESSURE: 279200 0 0 0 0 0 0 0 0 0 GPRESSURE: 279200 0 0 0 0 0 0 0 0 0 PRESSAVG: 279200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279200 0 0 0 0 0 0 0 0 0 TIMING: 279200 CPU: 1112.58, 0.00397331/step Wall: 1112.58, 0.00397331/step, 0.243696 hours remaining, 109.511719 MB of memory in use. ENERGY: 279200 637.2754 1860.5037 2001.5105 93.4394 -14.2969 -981.3491 163.1637 0.0000 2814.1801 6574.4268 310.8340 3760.2467 6610.0967 304.5645 PRESSURE: 279300 0 0 0 0 0 0 0 0 0 GPRESSURE: 279300 0 0 0 0 0 0 0 0 0 PRESSAVG: 279300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279300 0 0 0 0 0 0 0 0 0 TIMING: 279300 CPU: 1112.98, 0.00397286/step Wall: 1112.98, 0.00397286/step, 0.243558 hours remaining, 109.511719 MB of memory in use. ENERGY: 279300 683.5634 1905.6046 2005.2974 106.6325 -14.6241 -1063.4843 166.1532 0.0000 2803.2299 6592.3725 309.6246 3789.1426 6625.4549 305.6419 PRESSURE: 279400 0 0 0 0 0 0 0 0 0 GPRESSURE: 279400 0 0 0 0 0 0 0 0 0 PRESSAVG: 279400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279400 0 0 0 0 0 0 0 0 0 TIMING: 279400 CPU: 1113.38, 0.00398385/step Wall: 1113.38, 0.00398385/step, 0.244122 hours remaining, 109.511719 MB of memory in use. ENERGY: 279400 694.8691 1893.6522 2009.9244 107.7906 -14.4829 -1049.4162 166.2243 0.0000 2773.0092 6581.5707 306.2866 3808.5615 6614.1092 306.4606 PRESSURE: 279500 0 0 0 0 0 0 0 0 0 GPRESSURE: 279500 0 0 0 0 0 0 0 0 0 PRESSAVG: 279500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279500 0 0 0 0 0 0 0 0 0 TIMING: 279500 CPU: 1113.77, 0.0039749/step Wall: 1113.77, 0.0039749/step, 0.243463 hours remaining, 109.511719 MB of memory in use. ENERGY: 279500 634.8763 1935.2337 2049.3306 118.6245 -14.4519 -1053.4523 166.7637 0.0000 2728.5401 6565.4648 301.3749 3836.9247 6597.7013 304.5950 PRESSURE: 279600 0 0 0 0 0 0 0 0 0 GPRESSURE: 279600 0 0 0 0 0 0 0 0 0 PRESSAVG: 279600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279600 0 0 0 0 0 0 0 0 0 TIMING: 279600 CPU: 1114.17, 0.00398122/step Wall: 1114.17, 0.00398122/step, 0.243739 hours remaining, 109.511719 MB of memory in use. ENERGY: 279600 646.9564 1877.1573 2004.1102 96.7231 -14.8894 -1027.9397 162.3028 0.0000 2795.4585 6539.8792 308.7662 3744.4207 6574.3441 304.4242 PRESSURE: 279700 0 0 0 0 0 0 0 0 0 GPRESSURE: 279700 0 0 0 0 0 0 0 0 0 PRESSAVG: 279700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279700 0 0 0 0 0 0 0 0 0 TIMING: 279700 CPU: 1114.57, 0.00397522/step Wall: 1114.57, 0.00397522/step, 0.243261 hours remaining, 109.511719 MB of memory in use. ENERGY: 279700 664.4925 1934.0570 2029.4069 95.8331 -14.3895 -1056.9213 162.5322 0.0000 2717.8703 6532.8812 300.1963 3815.0109 6568.6869 302.8083 PRESSURE: 279800 0 0 0 0 0 0 0 0 0 GPRESSURE: 279800 0 0 0 0 0 0 0 0 0 PRESSAVG: 279800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279800 0 0 0 0 0 0 0 0 0 TIMING: 279800 CPU: 1114.97, 0.00397281/step Wall: 1114.97, 0.00397281/step, 0.243004 hours remaining, 109.511719 MB of memory in use. ENERGY: 279800 640.9924 1933.8755 2034.4358 102.8215 -13.8929 -1056.8535 164.8548 0.0000 2685.7577 6491.9913 296.6494 3806.2336 6522.9061 301.8336 PRESSURE: 279900 0 0 0 0 0 0 0 0 0 GPRESSURE: 279900 0 0 0 0 0 0 0 0 0 PRESSAVG: 279900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 279900 0 0 0 0 0 0 0 0 0 TIMING: 279900 CPU: 1115.36, 0.00398532/step Wall: 1115.36, 0.00398532/step, 0.243658 hours remaining, 109.511719 MB of memory in use. ENERGY: 279900 684.6864 1858.0653 2009.9621 101.2179 -13.8429 -1031.3864 168.0217 0.0000 2750.8198 6527.5439 303.8357 3776.7241 6563.8921 302.9489 PRESSURE: 280000 0 0 0 0 0 0 0 0 0 GPRESSURE: 280000 0 0 0 0 0 0 0 0 0 PRESSAVG: 280000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280000 0 0 0 0 0 0 0 0 0 TIMING: 280000 CPU: 1115.76, 0.00397741/step Wall: 1115.76, 0.00397741/step, 0.243064 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 280000 642.2270 1866.6430 2033.2966 110.3889 -14.5969 -1019.6088 165.6362 0.0000 2688.2362 6472.2222 296.9232 3783.9860 6504.1198 301.3261 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 280000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 280000 WRITING COORDINATES TO RESTART FILE AT STEP 280000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 280000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 280100 0 0 0 0 0 0 0 0 0 GPRESSURE: 280100 0 0 0 0 0 0 0 0 0 PRESSAVG: 280100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280100 0 0 0 0 0 0 0 0 0 TIMING: 280100 CPU: 1116.21, 0.00449243/step Wall: 1116.21, 0.00449243/step, 0.274413 hours remaining, 109.511719 MB of memory in use. ENERGY: 280100 678.1768 1868.2744 2008.7584 113.4963 -13.7509 -1064.1836 162.6952 0.0000 2743.8693 6497.3359 303.0680 3753.4666 6531.0488 300.3466 PRESSURE: 280200 0 0 0 0 0 0 0 0 0 GPRESSURE: 280200 0 0 0 0 0 0 0 0 0 PRESSAVG: 280200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280200 0 0 0 0 0 0 0 0 0 TIMING: 280200 CPU: 1116.61, 0.00397395/step Wall: 1116.61, 0.00397395/step, 0.242632 hours remaining, 109.511719 MB of memory in use. ENERGY: 280200 632.8802 1909.4299 2027.1900 108.6543 -14.7879 -1062.4430 154.3647 0.0000 2741.4150 6496.7031 302.7969 3755.2881 6531.5370 302.3231 LDB: ============= START OF LOAD BALANCING ============== 1119.39 LDB: ============== END OF LOAD BALANCING =============== 1119.39 LDB: =============== DONE WITH MIGRATION ================ 1119.39 PRESSURE: 280300 0 0 0 0 0 0 0 0 0 GPRESSURE: 280300 0 0 0 0 0 0 0 0 0 PRESSAVG: 280300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280300 0 0 0 0 0 0 0 0 0 TIMING: 280300 CPU: 1117.01, 0.00398695/step Wall: 1117.01, 0.00398694/step, 0.243314 hours remaining, 109.511719 MB of memory in use. ENERGY: 280300 652.9834 1870.8989 1995.8233 109.0006 -15.6795 -1046.9764 159.8186 0.0000 2732.2315 6458.1005 301.7826 3725.8689 6490.2013 300.2430 LDB: ============= START OF LOAD BALANCING ============== 1119.78 LDB: ============== END OF LOAD BALANCING =============== 1119.78 LDB: =============== DONE WITH MIGRATION ================ 1119.78 PRESSURE: 280400 0 0 0 0 0 0 0 0 0 GPRESSURE: 280400 0 0 0 0 0 0 0 0 0 PRESSAVG: 280400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280400 0 0 0 0 0 0 0 0 0 TIMING: 280400 CPU: 1117.41, 0.0039846/step Wall: 1117.41, 0.00398461/step, 0.243061 hours remaining, 109.511719 MB of memory in use. ENERGY: 280400 682.1438 1881.6097 2016.4849 96.3327 -14.1721 -1092.9345 156.3738 0.0000 2701.1349 6426.9732 298.3479 3725.8384 6461.4700 297.5089 PRESSURE: 280500 0 0 0 0 0 0 0 0 0 GPRESSURE: 280500 0 0 0 0 0 0 0 0 0 PRESSAVG: 280500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280500 0 0 0 0 0 0 0 0 0 TIMING: 280500 CPU: 1117.8, 0.00397528/step Wall: 1117.8, 0.00397528/step, 0.242382 hours remaining, 109.511719 MB of memory in use. ENERGY: 280500 652.1763 1900.4126 2000.5365 102.1613 -15.2186 -1048.0895 151.3176 0.0000 2677.2344 6420.5306 295.7080 3743.2962 6453.2768 296.6440 PRESSURE: 280600 0 0 0 0 0 0 0 0 0 GPRESSURE: 280600 0 0 0 0 0 0 0 0 0 PRESSAVG: 280600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280600 0 0 0 0 0 0 0 0 0 TIMING: 280600 CPU: 1118.2, 0.0039884/step Wall: 1118.2, 0.0039884/step, 0.243071 hours remaining, 109.511719 MB of memory in use. ENERGY: 280600 673.2962 1839.6928 2022.6418 94.2871 -14.9766 -1055.1654 149.4720 0.0000 2727.0405 6436.2884 301.2092 3709.2479 6470.5436 297.4480 PRESSURE: 280700 0 0 0 0 0 0 0 0 0 GPRESSURE: 280700 0 0 0 0 0 0 0 0 0 PRESSAVG: 280700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280700 0 0 0 0 0 0 0 0 0 TIMING: 280700 CPU: 1118.6, 0.00397744/step Wall: 1118.6, 0.00397744/step, 0.242292 hours remaining, 109.511719 MB of memory in use. ENERGY: 280700 665.4795 1885.4801 2006.0141 103.9067 -14.3945 -1059.8394 167.0958 0.0000 2648.3773 6402.1197 292.5206 3753.7424 6435.5063 296.9722 PRESSURE: 280800 0 0 0 0 0 0 0 0 0 GPRESSURE: 280800 0 0 0 0 0 0 0 0 0 PRESSAVG: 280800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280800 0 0 0 0 0 0 0 0 0 TIMING: 280800 CPU: 1119, 0.00398085/step Wall: 1119, 0.00398085/step, 0.24239 hours remaining, 109.511719 MB of memory in use. ENERGY: 280800 668.7992 1874.5227 1986.9501 92.2626 -14.3131 -1047.5567 162.4954 0.0000 2669.4875 6392.6477 294.8523 3723.1602 6426.0413 294.8138 PRESSURE: 280900 0 0 0 0 0 0 0 0 0 GPRESSURE: 280900 0 0 0 0 0 0 0 0 0 PRESSAVG: 280900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 280900 0 0 0 0 0 0 0 0 0 TIMING: 280900 CPU: 1119.4, 0.0039803/step Wall: 1119.4, 0.0039803/step, 0.242246 hours remaining, 109.511719 MB of memory in use. ENERGY: 280900 630.6702 1836.7964 2030.0378 102.7460 -14.1146 -1066.9626 176.2975 0.0000 2691.6888 6387.1595 297.3045 3695.4707 6419.5623 295.9603 PRESSURE: 281000 0 0 0 0 0 0 0 0 0 GPRESSURE: 281000 0 0 0 0 0 0 0 0 0 PRESSAVG: 281000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281000 0 0 0 0 0 0 0 0 0 TIMING: 281000 CPU: 1119.79, 0.00397555/step Wall: 1119.79, 0.00397555/step, 0.241846 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 281000 620.9327 1909.9507 1983.4301 108.6237 -15.4292 -1024.2876 159.4019 0.0000 2675.5508 6418.1732 295.5220 3742.6224 6452.0412 296.4722 PRESSURE: 281100 0 0 0 0 0 0 0 0 0 GPRESSURE: 281100 0 0 0 0 0 0 0 0 0 PRESSAVG: 281100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281100 0 0 0 0 0 0 0 0 0 TIMING: 281100 CPU: 1120.19, 0.00398766/step Wall: 1120.19, 0.00398766/step, 0.242472 hours remaining, 109.511719 MB of memory in use. ENERGY: 281100 677.7800 1830.8380 2032.1881 100.3861 -14.8797 -1038.7217 156.0550 0.0000 2681.3251 6424.9709 296.1598 3743.6458 6456.5607 297.2932 PRESSURE: 281200 0 0 0 0 0 0 0 0 0 GPRESSURE: 281200 0 0 0 0 0 0 0 0 0 PRESSAVG: 281200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281200 0 0 0 0 0 0 0 0 0 TIMING: 281200 CPU: 1120.59, 0.00397582/step Wall: 1120.59, 0.00397582/step, 0.241642 hours remaining, 109.511719 MB of memory in use. ENERGY: 281200 639.7646 1881.2646 2015.4905 101.4289 -14.5643 -1056.1510 156.3860 0.0000 2715.5382 6439.1576 299.9388 3723.6193 6470.6142 296.9630 PRESSURE: 281300 0 0 0 0 0 0 0 0 0 GPRESSURE: 281300 0 0 0 0 0 0 0 0 0 PRESSAVG: 281300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281300 0 0 0 0 0 0 0 0 0 TIMING: 281300 CPU: 1120.99, 0.00397449/step Wall: 1120.99, 0.00397449/step, 0.24145 hours remaining, 109.511719 MB of memory in use. ENERGY: 281300 661.3632 1911.6884 2003.5482 102.8952 -15.0431 -1057.9157 152.2170 0.0000 2665.2337 6423.9870 294.3825 3758.7533 6455.3049 298.0117 PRESSURE: 281400 0 0 0 0 0 0 0 0 0 GPRESSURE: 281400 0 0 0 0 0 0 0 0 0 PRESSAVG: 281400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281400 0 0 0 0 0 0 0 0 0 TIMING: 281400 CPU: 1121.39, 0.0039866/step Wall: 1121.39, 0.0039866/step, 0.242075 hours remaining, 109.511719 MB of memory in use. ENERGY: 281400 636.1760 1872.2250 2018.7071 114.1272 -14.9276 -1071.1807 161.6619 0.0000 2701.8099 6418.5987 298.4224 3716.7889 6451.5431 296.3680 PRESSURE: 281500 0 0 0 0 0 0 0 0 0 GPRESSURE: 281500 0 0 0 0 0 0 0 0 0 PRESSAVG: 281500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281500 0 0 0 0 0 0 0 0 0 TIMING: 281500 CPU: 1121.78, 0.00397754/step Wall: 1121.78, 0.00397754/step, 0.241415 hours remaining, 109.511719 MB of memory in use. ENERGY: 281500 643.1415 1845.2351 2008.4219 110.2923 -14.4335 -1027.5528 162.0937 0.0000 2709.0518 6436.2500 299.2223 3727.1982 6469.2737 297.5172 PRESSURE: 281600 0 0 0 0 0 0 0 0 0 GPRESSURE: 281600 0 0 0 0 0 0 0 0 0 PRESSAVG: 281600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281600 0 0 0 0 0 0 0 0 0 TIMING: 281600 CPU: 1122.18, 0.00398433/step Wall: 1122.18, 0.00398432/step, 0.241715 hours remaining, 109.511719 MB of memory in use. ENERGY: 281600 699.5697 1856.2563 2030.4082 98.0683 -14.4914 -1079.1192 158.0787 0.0000 2695.0641 6443.8348 297.6773 3748.7706 6475.9114 297.5479 PRESSURE: 281700 0 0 0 0 0 0 0 0 0 GPRESSURE: 281700 0 0 0 0 0 0 0 0 0 PRESSAVG: 281700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281700 0 0 0 0 0 0 0 0 0 TIMING: 281700 CPU: 1122.58, 0.00397794/step Wall: 1122.58, 0.00397795/step, 0.241218 hours remaining, 109.511719 MB of memory in use. ENERGY: 281700 658.2488 1872.5437 2003.5848 101.8347 -14.8942 -1034.3876 173.2125 0.0000 2691.2525 6451.3953 297.2563 3760.1428 6482.4560 297.2367 PRESSURE: 281800 0 0 0 0 0 0 0 0 0 GPRESSURE: 281800 0 0 0 0 0 0 0 0 0 PRESSAVG: 281800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281800 0 0 0 0 0 0 0 0 0 TIMING: 281800 CPU: 1122.98, 0.00397864/step Wall: 1122.98, 0.00397864/step, 0.24115 hours remaining, 109.511719 MB of memory in use. ENERGY: 281800 666.5641 1862.4630 1984.2274 117.2677 -14.0257 -1038.0440 169.6751 0.0000 2671.4040 6419.5317 295.0640 3748.1277 6454.8177 298.1514 PRESSURE: 281900 0 0 0 0 0 0 0 0 0 GPRESSURE: 281900 0 0 0 0 0 0 0 0 0 PRESSAVG: 281900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 281900 0 0 0 0 0 0 0 0 0 TIMING: 281900 CPU: 1123.38, 0.0039881/step Wall: 1123.38, 0.00398809/step, 0.241612 hours remaining, 109.511719 MB of memory in use. ENERGY: 281900 637.7845 1874.0516 1987.5993 101.5601 -14.7690 -1068.4688 164.2305 0.0000 2728.9861 6410.9741 301.4241 3681.9880 6444.1251 296.3647 PRESSURE: 282000 0 0 0 0 0 0 0 0 0 GPRESSURE: 282000 0 0 0 0 0 0 0 0 0 PRESSAVG: 282000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282000 0 0 0 0 0 0 0 0 0 TIMING: 282000 CPU: 1123.78, 0.00397612/step Wall: 1123.78, 0.00397613/step, 0.240777 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 282000 670.5497 1878.5970 2005.1445 97.9871 -14.9684 -1067.0966 153.8165 0.0000 2725.3557 6449.3853 301.0231 3724.0296 6483.5583 297.4300 PRESSURE: 282100 0 0 0 0 0 0 0 0 0 GPRESSURE: 282100 0 0 0 0 0 0 0 0 0 PRESSAVG: 282100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282100 0 0 0 0 0 0 0 0 0 TIMING: 282100 CPU: 1124.17, 0.00398751/step Wall: 1124.17, 0.00398751/step, 0.241355 hours remaining, 109.511719 MB of memory in use. ENERGY: 282100 663.7379 1892.4652 1996.8154 97.1964 -14.6508 -1026.4602 155.6155 0.0000 2664.1977 6428.9170 294.2681 3764.7193 6461.3742 297.4418 PRESSURE: 282200 0 0 0 0 0 0 0 0 0 GPRESSURE: 282200 0 0 0 0 0 0 0 0 0 PRESSAVG: 282200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282200 0 0 0 0 0 0 0 0 0 TIMING: 282200 CPU: 1124.57, 0.00397795/step Wall: 1124.57, 0.00397795/step, 0.240666 hours remaining, 109.511719 MB of memory in use. ENERGY: 282200 675.2361 1834.6503 2031.3675 98.8533 -13.8968 -1057.6290 151.7008 0.0000 2701.6661 6421.9483 298.4065 3720.2822 6454.9003 297.3743 PRESSURE: 282300 0 0 0 0 0 0 0 0 0 GPRESSURE: 282300 0 0 0 0 0 0 0 0 0 PRESSAVG: 282300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282300 0 0 0 0 0 0 0 0 0 TIMING: 282300 CPU: 1124.97, 0.00397555/step Wall: 1124.97, 0.00397555/step, 0.24041 hours remaining, 109.511719 MB of memory in use. ENERGY: 282300 640.5475 1902.3758 1972.6705 109.5102 -13.9938 -1029.2343 148.0153 0.0000 2700.8155 6430.7067 298.3126 3729.8912 6460.5891 296.8499 PRESSURE: 282400 0 0 0 0 0 0 0 0 0 GPRESSURE: 282400 0 0 0 0 0 0 0 0 0 PRESSAVG: 282400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282400 0 0 0 0 0 0 0 0 0 TIMING: 282400 CPU: 1125.37, 0.00399017/step Wall: 1125.37, 0.00399017/step, 0.241184 hours remaining, 109.511719 MB of memory in use. ENERGY: 282400 632.6607 1811.4826 1989.4931 92.6352 -14.6930 -1056.3617 163.6653 0.0000 2782.9640 6401.8462 307.3861 3618.8822 6436.4150 297.7366 PRESSURE: 282500 0 0 0 0 0 0 0 0 0 GPRESSURE: 282500 0 0 0 0 0 0 0 0 0 PRESSAVG: 282500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282500 0 0 0 0 0 0 0 0 0 TIMING: 282500 CPU: 1125.77, 0.00397574/step Wall: 1125.77, 0.00397574/step, 0.240201 hours remaining, 109.511719 MB of memory in use. ENERGY: 282500 680.0851 1883.7921 2013.8981 95.0688 -14.9128 -1066.9304 160.5137 0.0000 2607.5528 6359.0672 288.0115 3751.5144 6389.8485 293.8647 PRESSURE: 282600 0 0 0 0 0 0 0 0 0 GPRESSURE: 282600 0 0 0 0 0 0 0 0 0 PRESSAVG: 282600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282600 0 0 0 0 0 0 0 0 0 TIMING: 282600 CPU: 1126.16, 0.00398679/step Wall: 1126.16, 0.00398679/step, 0.240758 hours remaining, 109.511719 MB of memory in use. ENERGY: 282600 688.4860 1843.5015 2009.1905 111.1051 -14.4561 -1044.5051 150.4707 0.0000 2641.3927 6385.1854 291.7492 3743.7927 6419.2197 294.8844 PRESSURE: 282700 0 0 0 0 0 0 0 0 0 GPRESSURE: 282700 0 0 0 0 0 0 0 0 0 PRESSAVG: 282700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282700 0 0 0 0 0 0 0 0 0 TIMING: 282700 CPU: 1126.56, 0.00397566/step Wall: 1126.56, 0.00397566/step, 0.239975 hours remaining, 109.511719 MB of memory in use. ENERGY: 282700 660.7866 1877.8253 2042.4018 100.5516 -14.2042 -1077.3847 170.8109 0.0000 2600.5683 6361.3555 287.2400 3760.7873 6393.9449 294.5905 PRESSURE: 282800 0 0 0 0 0 0 0 0 0 GPRESSURE: 282800 0 0 0 0 0 0 0 0 0 PRESSAVG: 282800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282800 0 0 0 0 0 0 0 0 0 TIMING: 282800 CPU: 1126.96, 0.00397475/step Wall: 1126.96, 0.00397475/step, 0.23981 hours remaining, 109.511719 MB of memory in use. ENERGY: 282800 658.5520 1851.0456 2012.3000 111.7172 -14.9138 -1069.7844 162.2122 0.0000 2669.1928 6380.3215 294.8198 3711.1288 6413.8319 294.0403 PRESSURE: 282900 0 0 0 0 0 0 0 0 0 GPRESSURE: 282900 0 0 0 0 0 0 0 0 0 PRESSAVG: 282900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 282900 0 0 0 0 0 0 0 0 0 TIMING: 282900 CPU: 1127.36, 0.00398632/step Wall: 1127.36, 0.00398631/step, 0.240397 hours remaining, 109.511719 MB of memory in use. ENERGY: 282900 661.5414 1863.0377 2032.2980 103.2838 -15.0212 -1050.9303 155.7740 0.0000 2669.3080 6419.2914 294.8325 3749.9834 6452.2144 295.7844 PRESSURE: 283000 0 0 0 0 0 0 0 0 0 GPRESSURE: 283000 0 0 0 0 0 0 0 0 0 PRESSAVG: 283000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283000 0 0 0 0 0 0 0 0 0 TIMING: 283000 CPU: 1127.76, 0.00397454/step Wall: 1127.76, 0.00397455/step, 0.239577 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 283000 658.6404 1874.1159 2025.9487 117.0621 -12.5889 -1044.1265 169.4149 0.0000 2657.0895 6445.5561 293.4829 3788.4666 6476.2543 296.5873 PRESSURE: 283100 0 0 0 0 0 0 0 0 0 GPRESSURE: 283100 0 0 0 0 0 0 0 0 0 PRESSAVG: 283100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283100 0 0 0 0 0 0 0 0 0 TIMING: 283100 CPU: 1128.15, 0.00398502/step Wall: 1128.15, 0.00398502/step, 0.240097 hours remaining, 109.511719 MB of memory in use. ENERGY: 283100 639.9885 1894.2934 1997.4181 109.1935 -14.3574 -1015.7576 156.6495 0.0000 2665.8364 6433.2645 294.4491 3767.4281 6465.4584 296.4228 PRESSURE: 283200 0 0 0 0 0 0 0 0 0 GPRESSURE: 283200 0 0 0 0 0 0 0 0 0 PRESSAVG: 283200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283200 0 0 0 0 0 0 0 0 0 TIMING: 283200 CPU: 1128.55, 0.00397723/step Wall: 1128.55, 0.00397723/step, 0.239518 hours remaining, 109.511719 MB of memory in use. ENERGY: 283200 622.1742 1862.0845 1996.2179 105.3844 -14.6237 -1025.5482 167.3248 0.0000 2719.4211 6432.4351 300.3676 3713.0140 6465.1424 297.9272 PRESSURE: 283300 0 0 0 0 0 0 0 0 0 GPRESSURE: 283300 0 0 0 0 0 0 0 0 0 PRESSAVG: 283300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283300 0 0 0 0 0 0 0 0 0 TIMING: 283300 CPU: 1128.95, 0.0039743/step Wall: 1128.95, 0.0039743/step, 0.239231 hours remaining, 109.511719 MB of memory in use. ENERGY: 283300 649.9476 1883.5528 2023.2058 106.4819 -14.9048 -1071.7734 160.5501 0.0000 2698.8217 6435.8818 298.0924 3737.0601 6467.9366 297.2973 PRESSURE: 283400 0 0 0 0 0 0 0 0 0 GPRESSURE: 283400 0 0 0 0 0 0 0 0 0 PRESSAVG: 283400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283400 0 0 0 0 0 0 0 0 0 TIMING: 283400 CPU: 1129.35, 0.00398689/step Wall: 1129.35, 0.00398689/step, 0.239878 hours remaining, 109.511719 MB of memory in use. ENERGY: 283400 633.3609 1856.2575 2016.7229 106.3738 -14.8079 -1054.1585 162.3873 0.0000 2726.2156 6432.3516 301.1181 3706.1360 6466.6370 296.6985 PRESSURE: 283500 0 0 0 0 0 0 0 0 0 GPRESSURE: 283500 0 0 0 0 0 0 0 0 0 PRESSAVG: 283500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283500 0 0 0 0 0 0 0 0 0 TIMING: 283500 CPU: 1129.75, 0.00397339/step Wall: 1129.75, 0.00397339/step, 0.238955 hours remaining, 109.511719 MB of memory in use. ENERGY: 283500 647.1225 1936.4619 2007.6367 101.5515 -14.2594 -1041.3298 150.3545 0.0000 2650.0403 6437.5782 292.7043 3787.5378 6467.1860 297.8567 PRESSURE: 283600 0 0 0 0 0 0 0 0 0 GPRESSURE: 283600 0 0 0 0 0 0 0 0 0 PRESSAVG: 283600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283600 0 0 0 0 0 0 0 0 0 TIMING: 283600 CPU: 1130.14, 0.00398432/step Wall: 1130.14, 0.00398432/step, 0.239502 hours remaining, 109.511719 MB of memory in use. ENERGY: 283600 637.0446 1885.8493 2016.4832 120.2459 -15.9997 -1056.4585 167.7739 0.0000 2711.5451 6466.4837 299.4977 3754.9386 6500.0802 298.2092 PRESSURE: 283700 0 0 0 0 0 0 0 0 0 GPRESSURE: 283700 0 0 0 0 0 0 0 0 0 PRESSAVG: 283700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283700 0 0 0 0 0 0 0 0 0 TIMING: 283700 CPU: 1130.54, 0.00397459/step Wall: 1130.54, 0.00397458/step, 0.238806 hours remaining, 109.511719 MB of memory in use. ENERGY: 283700 679.1622 1905.2390 2024.6244 85.6766 -15.6634 -1074.2716 154.6111 0.0000 2706.6566 6466.0350 298.9578 3759.3783 6497.5612 299.3779 PRESSURE: 283800 0 0 0 0 0 0 0 0 0 GPRESSURE: 283800 0 0 0 0 0 0 0 0 0 PRESSAVG: 283800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283800 0 0 0 0 0 0 0 0 0 TIMING: 283800 CPU: 1130.94, 0.00397545/step Wall: 1130.94, 0.00397546/step, 0.238748 hours remaining, 109.511719 MB of memory in use. ENERGY: 283800 695.3873 1895.6214 2023.4039 89.5038 -14.4044 -1025.8205 144.5861 0.0000 2672.2824 6480.5601 295.1610 3808.2776 6508.9112 299.0573 PRESSURE: 283900 0 0 0 0 0 0 0 0 0 GPRESSURE: 283900 0 0 0 0 0 0 0 0 0 PRESSAVG: 283900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 283900 0 0 0 0 0 0 0 0 0 TIMING: 283900 CPU: 1131.34, 0.00398854/step Wall: 1131.34, 0.00398854/step, 0.239423 hours remaining, 109.511719 MB of memory in use. ENERGY: 283900 652.0244 1847.9877 2016.1747 107.1279 -14.6115 -1077.0562 151.4776 0.0000 2746.5611 6429.6857 303.3653 3683.1246 6465.0214 298.6006 PRESSURE: 284000 0 0 0 0 0 0 0 0 0 GPRESSURE: 284000 0 0 0 0 0 0 0 0 0 PRESSAVG: 284000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284000 0 0 0 0 0 0 0 0 0 TIMING: 284000 CPU: 1131.74, 0.00397669/step Wall: 1131.74, 0.00397669/step, 0.238601 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 284000 626.4617 1920.8347 2020.5019 110.2183 -14.1148 -1051.2406 157.7865 0.0000 2690.0167 6460.4642 297.1198 3770.4475 6494.4254 298.1588 PRESSURE: 284100 0 0 0 0 0 0 0 0 0 GPRESSURE: 284100 0 0 0 0 0 0 0 0 0 PRESSAVG: 284100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284100 0 0 0 0 0 0 0 0 0 TIMING: 284100 CPU: 1132.13, 0.00398886/step Wall: 1132.13, 0.00398886/step, 0.239221 hours remaining, 109.511719 MB of memory in use. ENERGY: 284100 638.1362 1875.1384 1984.6695 105.7995 -14.9962 -1038.0222 160.3527 0.0000 2745.7237 6456.8017 303.2728 3711.0780 6490.7658 299.3342 PRESSURE: 284200 0 0 0 0 0 0 0 0 0 GPRESSURE: 284200 0 0 0 0 0 0 0 0 0 PRESSAVG: 284200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284200 0 0 0 0 0 0 0 0 0 TIMING: 284200 CPU: 1132.53, 0.0039743/step Wall: 1132.53, 0.0039743/step, 0.238237 hours remaining, 109.511719 MB of memory in use. ENERGY: 284200 622.5388 1855.6985 2019.1509 101.5456 -13.7876 -1012.4033 152.0987 0.0000 2670.6874 6395.5289 294.9849 3724.8415 6429.5349 296.9371 LDB: ============= START OF LOAD BALANCING ============== 1135.31 LDB: ============== END OF LOAD BALANCING =============== 1135.31 LDB: =============== DONE WITH MIGRATION ================ 1135.31 PRESSURE: 284300 0 0 0 0 0 0 0 0 0 GPRESSURE: 284300 0 0 0 0 0 0 0 0 0 PRESSAVG: 284300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284300 0 0 0 0 0 0 0 0 0 TIMING: 284300 CPU: 1132.93, 0.00397796/step Wall: 1132.93, 0.00397796/step, 0.238346 hours remaining, 109.511719 MB of memory in use. ENERGY: 284300 605.3626 1910.4904 2003.5304 104.7525 -14.0385 -1042.1107 152.2259 0.0000 2705.7118 6425.9244 298.8534 3720.2126 6456.3866 296.8004 LDB: ============= START OF LOAD BALANCING ============== 1135.71 LDB: ============== END OF LOAD BALANCING =============== 1135.71 LDB: =============== DONE WITH MIGRATION ================ 1135.71 PRESSURE: 284400 0 0 0 0 0 0 0 0 0 GPRESSURE: 284400 0 0 0 0 0 0 0 0 0 PRESSAVG: 284400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284400 0 0 0 0 0 0 0 0 0 TIMING: 284400 CPU: 1133.33, 0.00399998/step Wall: 1133.33, 0.00399998/step, 0.239554 hours remaining, 109.511719 MB of memory in use. ENERGY: 284400 634.3628 1901.7253 2022.7125 105.6140 -14.4655 -1037.0213 148.6345 0.0000 2656.0914 6417.6536 293.3727 3761.5622 6448.7976 297.1114 PRESSURE: 284500 0 0 0 0 0 0 0 0 0 GPRESSURE: 284500 0 0 0 0 0 0 0 0 0 PRESSAVG: 284500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284500 0 0 0 0 0 0 0 0 0 TIMING: 284500 CPU: 1133.73, 0.00397494/step Wall: 1133.73, 0.00397494/step, 0.237944 hours remaining, 109.511719 MB of memory in use. ENERGY: 284500 595.2973 1876.4386 2000.8052 115.3368 -14.7436 -1036.0800 159.9589 0.0000 2768.3184 6465.3317 305.7685 3697.0133 6499.2167 298.4437 PRESSURE: 284600 0 0 0 0 0 0 0 0 0 GPRESSURE: 284600 0 0 0 0 0 0 0 0 0 PRESSAVG: 284600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284600 0 0 0 0 0 0 0 0 0 TIMING: 284600 CPU: 1134.13, 0.00399118/step Wall: 1134.13, 0.00399117/step, 0.238805 hours remaining, 109.511719 MB of memory in use. ENERGY: 284600 688.4773 1921.0821 1995.4636 105.6478 -15.0065 -1044.0896 158.9534 0.0000 2648.1920 6458.7201 292.5002 3810.5281 6487.1723 299.7660 PRESSURE: 284700 0 0 0 0 0 0 0 0 0 GPRESSURE: 284700 0 0 0 0 0 0 0 0 0 PRESSAVG: 284700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284700 0 0 0 0 0 0 0 0 0 TIMING: 284700 CPU: 1134.52, 0.00397824/step Wall: 1134.52, 0.00397825/step, 0.237921 hours remaining, 109.511719 MB of memory in use. ENERGY: 284700 636.0663 1887.1251 1983.4916 109.6699 -14.7554 -1036.0150 161.8589 0.0000 2728.2626 6455.7040 301.3442 3727.4415 6490.9137 297.5648 PRESSURE: 284800 0 0 0 0 0 0 0 0 0 GPRESSURE: 284800 0 0 0 0 0 0 0 0 0 PRESSAVG: 284800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284800 0 0 0 0 0 0 0 0 0 TIMING: 284800 CPU: 1134.92, 0.00397497/step Wall: 1134.92, 0.00397497/step, 0.237615 hours remaining, 109.511719 MB of memory in use. ENERGY: 284800 654.7681 1855.8730 2041.4677 98.0621 -15.3765 -1077.6561 161.7834 0.0000 2739.5217 6458.4434 302.5878 3718.9217 6491.2078 300.5616 PRESSURE: 284900 0 0 0 0 0 0 0 0 0 GPRESSURE: 284900 0 0 0 0 0 0 0 0 0 PRESSAVG: 284900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 284900 0 0 0 0 0 0 0 0 0 TIMING: 284900 CPU: 1135.32, 0.00399047/step Wall: 1135.32, 0.00399047/step, 0.238431 hours remaining, 109.511719 MB of memory in use. ENERGY: 284900 617.5025 1879.9828 2009.7871 95.7890 -15.4909 -1004.7578 165.6587 0.0000 2734.4400 6482.9113 302.0265 3748.4713 6517.2631 298.8722 PRESSURE: 285000 0 0 0 0 0 0 0 0 0 GPRESSURE: 285000 0 0 0 0 0 0 0 0 0 PRESSAVG: 285000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285000 0 0 0 0 0 0 0 0 0 TIMING: 285000 CPU: 1135.72, 0.0039765/step Wall: 1135.72, 0.0039765/step, 0.237485 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 285000 659.3485 1911.9075 2011.1603 94.7565 -14.6751 -1042.3984 161.0866 0.0000 2715.4043 6496.5902 299.9240 3781.1859 6526.8378 299.8456 PRESSURE: 285100 0 0 0 0 0 0 0 0 0 GPRESSURE: 285100 0 0 0 0 0 0 0 0 0 PRESSAVG: 285100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285100 0 0 0 0 0 0 0 0 0 TIMING: 285100 CPU: 1136.12, 0.00398962/step Wall: 1136.12, 0.00398962/step, 0.238158 hours remaining, 109.511719 MB of memory in use. ENERGY: 285100 641.9847 1960.4220 2009.9683 107.8809 -13.4404 -1045.3885 172.2377 0.0000 2691.2371 6524.9018 297.2546 3833.6648 6557.6278 300.9921 PRESSURE: 285200 0 0 0 0 0 0 0 0 0 GPRESSURE: 285200 0 0 0 0 0 0 0 0 0 PRESSAVG: 285200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285200 0 0 0 0 0 0 0 0 0 TIMING: 285200 CPU: 1136.51, 0.00397606/step Wall: 1136.51, 0.00397606/step, 0.237238 hours remaining, 109.511719 MB of memory in use. ENERGY: 285200 628.0636 1928.7783 2026.2741 106.1760 -13.9660 -1050.4495 157.9425 0.0000 2700.7254 6483.5444 298.3026 3782.8191 6519.4188 300.8570 PRESSURE: 285300 0 0 0 0 0 0 0 0 0 GPRESSURE: 285300 0 0 0 0 0 0 0 0 0 PRESSAVG: 285300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285300 0 0 0 0 0 0 0 0 0 TIMING: 285300 CPU: 1136.91, 0.00397638/step Wall: 1136.91, 0.00397638/step, 0.237147 hours remaining, 109.511719 MB of memory in use. ENERGY: 285300 641.2367 1891.8636 2001.9820 101.1808 -13.7633 -1053.7799 171.4373 0.0000 2742.9208 6483.0780 302.9632 3740.1572 6517.7867 298.3209 PRESSURE: 285400 0 0 0 0 0 0 0 0 0 GPRESSURE: 285400 0 0 0 0 0 0 0 0 0 PRESSAVG: 285400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285400 0 0 0 0 0 0 0 0 0 TIMING: 285400 CPU: 1137.31, 0.00399017/step Wall: 1137.31, 0.00399017/step, 0.237859 hours remaining, 109.511719 MB of memory in use. ENERGY: 285400 701.9255 1882.7737 2004.7934 109.8148 -14.8544 -1080.3729 153.0173 0.0000 2737.1168 6494.2142 302.3222 3757.0974 6530.3247 302.2934 PRESSURE: 285500 0 0 0 0 0 0 0 0 0 GPRESSURE: 285500 0 0 0 0 0 0 0 0 0 PRESSAVG: 285500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285500 0 0 0 0 0 0 0 0 0 TIMING: 285500 CPU: 1137.71, 0.00397585/step Wall: 1137.71, 0.00397584/step, 0.236894 hours remaining, 109.511719 MB of memory in use. ENERGY: 285500 641.6622 1889.5000 1988.5286 105.5093 -14.3118 -1019.9134 163.7008 0.0000 2755.9697 6510.6454 304.4045 3754.6757 6541.1327 302.3165 PRESSURE: 285600 0 0 0 0 0 0 0 0 0 GPRESSURE: 285600 0 0 0 0 0 0 0 0 0 PRESSAVG: 285600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285600 0 0 0 0 0 0 0 0 0 TIMING: 285600 CPU: 1138.11, 0.00399055/step Wall: 1138.11, 0.00399056/step, 0.23766 hours remaining, 109.511719 MB of memory in use. ENERGY: 285600 661.4034 1920.1541 2028.6966 108.1113 -14.7949 -1082.2729 167.4983 0.0000 2733.5749 6522.3709 301.9310 3788.7960 6555.9840 302.8257 PRESSURE: 285700 0 0 0 0 0 0 0 0 0 GPRESSURE: 285700 0 0 0 0 0 0 0 0 0 PRESSAVG: 285700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285700 0 0 0 0 0 0 0 0 0 TIMING: 285700 CPU: 1138.51, 0.00397629/step Wall: 1138.51, 0.00397628/step, 0.236699 hours remaining, 109.511719 MB of memory in use. ENERGY: 285700 613.8493 1857.8288 2016.4551 109.2452 -15.6070 -1014.7030 150.4971 0.0000 2784.7649 6502.3305 307.5850 3717.5656 6537.6022 303.4972 PRESSURE: 285800 0 0 0 0 0 0 0 0 0 GPRESSURE: 285800 0 0 0 0 0 0 0 0 0 PRESSAVG: 285800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285800 0 0 0 0 0 0 0 0 0 TIMING: 285800 CPU: 1138.9, 0.00397608/step Wall: 1138.9, 0.00397609/step, 0.236577 hours remaining, 109.511719 MB of memory in use. ENERGY: 285800 655.2404 1867.4640 2025.0163 100.6617 -14.2838 -1084.3311 172.0067 0.0000 2730.1625 6451.9367 301.5541 3721.7741 6487.3206 298.9056 PRESSURE: 285900 0 0 0 0 0 0 0 0 0 GPRESSURE: 285900 0 0 0 0 0 0 0 0 0 PRESSAVG: 285900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 285900 0 0 0 0 0 0 0 0 0 TIMING: 285900 CPU: 1139.3, 0.00398931/step Wall: 1139.3, 0.00398931/step, 0.237253 hours remaining, 109.511719 MB of memory in use. ENERGY: 285900 632.7015 1915.9001 1980.1126 124.1892 -14.7260 -1053.1421 159.5041 0.0000 2718.4736 6463.0129 300.2630 3744.5393 6494.2895 299.0447 PRESSURE: 286000 0 0 0 0 0 0 0 0 0 GPRESSURE: 286000 0 0 0 0 0 0 0 0 0 PRESSAVG: 286000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286000 0 0 0 0 0 0 0 0 0 TIMING: 286000 CPU: 1139.7, 0.00397456/step Wall: 1139.7, 0.00397456/step, 0.236265 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 286000 658.6764 1868.4656 1983.4138 101.7918 -14.6741 -1045.0760 166.6789 0.0000 2736.5366 6455.8132 302.2581 3719.2766 6491.1657 299.0343 PRESSURE: 286100 0 0 0 0 0 0 0 0 0 GPRESSURE: 286100 0 0 0 0 0 0 0 0 0 PRESSAVG: 286100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286100 0 0 0 0 0 0 0 0 0 TIMING: 286100 CPU: 1140.1, 0.00398878/step Wall: 1140.1, 0.00398878/step, 0.237 hours remaining, 109.511719 MB of memory in use. ENERGY: 286100 707.9545 1869.3798 2019.9605 101.3377 -14.4106 -1047.7825 168.1494 0.0000 2630.7833 6435.3722 290.5773 3804.5888 6465.4929 296.4597 PRESSURE: 286200 0 0 0 0 0 0 0 0 0 GPRESSURE: 286200 0 0 0 0 0 0 0 0 0 PRESSAVG: 286200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286200 0 0 0 0 0 0 0 0 0 TIMING: 286200 CPU: 1140.5, 0.003975/step Wall: 1140.5, 0.003975/step, 0.236071 hours remaining, 109.511719 MB of memory in use. ENERGY: 286200 684.6674 1884.4001 1980.7505 112.6083 -16.0650 -1072.9188 148.8605 0.0000 2687.0279 6409.3308 296.7897 3722.3029 6441.9460 296.8547 PRESSURE: 286300 0 0 0 0 0 0 0 0 0 GPRESSURE: 286300 0 0 0 0 0 0 0 0 0 PRESSAVG: 286300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286300 0 0 0 0 0 0 0 0 0 TIMING: 286300 CPU: 1140.89, 0.00397537/step Wall: 1140.89, 0.00397537/step, 0.235982 hours remaining, 109.511719 MB of memory in use. ENERGY: 286300 656.9270 1882.4035 2008.9496 99.7488 -15.2295 -1020.3966 154.2211 0.0000 2658.2340 6424.8579 293.6093 3766.6239 6453.9400 297.4314 PRESSURE: 286400 0 0 0 0 0 0 0 0 0 GPRESSURE: 286400 0 0 0 0 0 0 0 0 0 PRESSAVG: 286400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286400 0 0 0 0 0 0 0 0 0 TIMING: 286400 CPU: 1141.29, 0.00399224/step Wall: 1141.29, 0.00399224/step, 0.236873 hours remaining, 109.511719 MB of memory in use. ENERGY: 286400 668.7381 1867.0151 2017.2210 109.5848 -14.8038 -1070.8893 152.1501 0.0000 2687.9452 6416.9613 296.8910 3729.0160 6449.4994 296.5218 PRESSURE: 286500 0 0 0 0 0 0 0 0 0 GPRESSURE: 286500 0 0 0 0 0 0 0 0 0 PRESSAVG: 286500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286500 0 0 0 0 0 0 0 0 0 TIMING: 286500 CPU: 1141.69, 0.0039741/step Wall: 1141.69, 0.0039741/step, 0.235686 hours remaining, 109.511719 MB of memory in use. ENERGY: 286500 647.4326 1901.3592 2026.1864 108.1450 -14.9010 -1027.2395 144.4850 0.0000 2642.6057 6428.0734 291.8832 3785.4677 6457.8529 296.2161 PRESSURE: 286600 0 0 0 0 0 0 0 0 0 GPRESSURE: 286600 0 0 0 0 0 0 0 0 0 PRESSAVG: 286600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286600 0 0 0 0 0 0 0 0 0 TIMING: 286600 CPU: 1142.09, 0.00398925/step Wall: 1142.09, 0.00398925/step, 0.236474 hours remaining, 109.511719 MB of memory in use. ENERGY: 286600 692.4306 1837.7543 2005.3790 99.8724 -14.5316 -1039.2409 158.6249 0.0000 2667.4677 6407.7564 294.6292 3740.2887 6438.2801 295.4932 PRESSURE: 286700 0 0 0 0 0 0 0 0 0 GPRESSURE: 286700 0 0 0 0 0 0 0 0 0 PRESSAVG: 286700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286700 0 0 0 0 0 0 0 0 0 TIMING: 286700 CPU: 1142.49, 0.00397397/step Wall: 1142.49, 0.00397397/step, 0.235458 hours remaining, 109.511719 MB of memory in use. ENERGY: 286700 656.5589 1854.7377 2007.7512 102.6443 -13.6375 -1035.1046 149.4725 0.0000 2734.2122 6456.6349 302.0014 3722.4227 6489.0183 297.2698 PRESSURE: 286800 0 0 0 0 0 0 0 0 0 GPRESSURE: 286800 0 0 0 0 0 0 0 0 0 PRESSAVG: 286800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286800 0 0 0 0 0 0 0 0 0 TIMING: 286800 CPU: 1142.88, 0.00397589/step Wall: 1142.88, 0.00397589/step, 0.235461 hours remaining, 109.511719 MB of memory in use. ENERGY: 286800 692.2184 1850.4319 2044.4999 109.9956 -13.6427 -1037.9328 152.8321 0.0000 2653.9258 6452.3282 293.1335 3798.4024 6483.5134 298.1161 PRESSURE: 286900 0 0 0 0 0 0 0 0 0 GPRESSURE: 286900 0 0 0 0 0 0 0 0 0 PRESSAVG: 286900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 286900 0 0 0 0 0 0 0 0 0 TIMING: 286900 CPU: 1143.28, 0.00399089/step Wall: 1143.28, 0.00399089/step, 0.236239 hours remaining, 109.511719 MB of memory in use. ENERGY: 286900 657.0852 1913.5147 2011.8679 103.0421 -14.5249 -1059.2199 148.6082 0.0000 2667.7481 6428.1214 294.6602 3760.3733 6460.9676 297.8822 PRESSURE: 287000 0 0 0 0 0 0 0 0 0 GPRESSURE: 287000 0 0 0 0 0 0 0 0 0 PRESSAVG: 287000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287000 0 0 0 0 0 0 0 0 0 TIMING: 287000 CPU: 1143.68, 0.00397519/step Wall: 1143.68, 0.00397519/step, 0.235199 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 287000 615.9412 1846.7354 2009.5389 104.3656 -14.9879 -1004.0698 149.4427 0.0000 2731.9610 6438.9271 301.7527 3706.9661 6475.5180 299.1456 PRESSURE: 287100 0 0 0 0 0 0 0 0 0 GPRESSURE: 287100 0 0 0 0 0 0 0 0 0 PRESSAVG: 287100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287100 0 0 0 0 0 0 0 0 0 TIMING: 287100 CPU: 1144.08, 0.00398812/step Wall: 1144.08, 0.00398812/step, 0.235853 hours remaining, 109.511719 MB of memory in use. ENERGY: 287100 675.6421 1919.0031 1995.0579 98.9174 -14.9341 -1041.8698 154.9316 0.0000 2685.0248 6471.7731 296.5685 3786.7483 6502.6005 299.7009 PRESSURE: 287200 0 0 0 0 0 0 0 0 0 GPRESSURE: 287200 0 0 0 0 0 0 0 0 0 PRESSAVG: 287200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287200 0 0 0 0 0 0 0 0 0 TIMING: 287200 CPU: 1144.48, 0.00397464/step Wall: 1144.48, 0.00397464/step, 0.234945 hours remaining, 109.511719 MB of memory in use. ENERGY: 287200 662.4868 1875.2377 2026.2154 98.5655 -15.1561 -1048.1869 161.4052 0.0000 2708.0374 6468.6049 299.1103 3760.5675 6500.7476 298.9548 PRESSURE: 287300 0 0 0 0 0 0 0 0 0 GPRESSURE: 287300 0 0 0 0 0 0 0 0 0 PRESSAVG: 287300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287300 0 0 0 0 0 0 0 0 0 TIMING: 287300 CPU: 1144.87, 0.00397444/step Wall: 1144.87, 0.00397444/step, 0.234823 hours remaining, 109.511719 MB of memory in use. ENERGY: 287300 647.7441 1839.5775 2038.2349 119.1959 -15.3643 -1051.7829 145.1051 0.0000 2720.5359 6443.2462 300.4908 3722.7103 6477.4315 298.5140 PRESSURE: 287400 0 0 0 0 0 0 0 0 0 GPRESSURE: 287400 0 0 0 0 0 0 0 0 0 PRESSAVG: 287400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287400 0 0 0 0 0 0 0 0 0 TIMING: 287400 CPU: 1145.27, 0.00399/step Wall: 1145.27, 0.00399/step, 0.235632 hours remaining, 109.511719 MB of memory in use. ENERGY: 287400 648.0193 1862.2926 2041.1712 117.0920 -15.6235 -1031.4828 140.4139 0.0000 2687.2417 6449.1244 296.8133 3761.8827 6483.4435 296.3771 PRESSURE: 287500 0 0 0 0 0 0 0 0 0 GPRESSURE: 287500 0 0 0 0 0 0 0 0 0 PRESSAVG: 287500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287500 0 0 0 0 0 0 0 0 0 TIMING: 287500 CPU: 1145.67, 0.00397166/step Wall: 1145.67, 0.00397166/step, 0.234438 hours remaining, 109.511719 MB of memory in use. ENERGY: 287500 660.7108 1877.8784 2040.2744 109.0580 -13.5655 -1066.5298 165.2757 0.0000 2643.0414 6416.1434 291.9313 3773.1020 6448.0983 296.9385 PRESSURE: 287600 0 0 0 0 0 0 0 0 0 GPRESSURE: 287600 0 0 0 0 0 0 0 0 0 PRESSAVG: 287600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287600 0 0 0 0 0 0 0 0 0 TIMING: 287600 CPU: 1146.07, 0.00398947/step Wall: 1146.07, 0.00398947/step, 0.235379 hours remaining, 109.511719 MB of memory in use. ENERGY: 287600 664.8641 1848.5183 1999.8934 99.9977 -14.3063 -1024.9395 154.5711 0.0000 2667.9391 6396.5378 294.6813 3728.5988 6427.1207 295.6569 PRESSURE: 287700 0 0 0 0 0 0 0 0 0 GPRESSURE: 287700 0 0 0 0 0 0 0 0 0 PRESSAVG: 287700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287700 0 0 0 0 0 0 0 0 0 TIMING: 287700 CPU: 1146.47, 0.0039745/step Wall: 1146.47, 0.0039745/step, 0.234385 hours remaining, 109.511719 MB of memory in use. ENERGY: 287700 644.6781 1884.2606 2003.9855 103.5033 -14.8466 -1051.2869 155.9745 0.0000 2659.1468 6385.4153 293.7102 3726.2685 6417.0220 293.9600 PRESSURE: 287800 0 0 0 0 0 0 0 0 0 GPRESSURE: 287800 0 0 0 0 0 0 0 0 0 PRESSAVG: 287800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287800 0 0 0 0 0 0 0 0 0 TIMING: 287800 CPU: 1146.86, 0.00397455/step Wall: 1146.86, 0.00397455/step, 0.234278 hours remaining, 109.511719 MB of memory in use. ENERGY: 287800 650.5785 1859.6913 2026.1909 109.0390 -14.5793 -1039.7100 150.0653 0.0000 2617.1125 6358.3881 289.0674 3741.2756 6390.9956 294.1844 PRESSURE: 287900 0 0 0 0 0 0 0 0 0 GPRESSURE: 287900 0 0 0 0 0 0 0 0 0 PRESSAVG: 287900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 287900 0 0 0 0 0 0 0 0 0 TIMING: 287900 CPU: 1147.26, 0.00398651/step Wall: 1147.26, 0.00398651/step, 0.234872 hours remaining, 109.511719 MB of memory in use. ENERGY: 287900 646.7418 1875.9303 1975.7037 96.9548 -14.5718 -1048.1621 143.6368 0.0000 2693.9553 6370.1887 297.5549 3676.2335 6403.0509 293.1322 PRESSURE: 288000 0 0 0 0 0 0 0 0 0 GPRESSURE: 288000 0 0 0 0 0 0 0 0 0 PRESSAVG: 288000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288000 0 0 0 0 0 0 0 0 0 TIMING: 288000 CPU: 1147.66, 0.00397642/step Wall: 1147.66, 0.00397642/step, 0.234167 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 288000 687.2284 1805.7149 2018.0902 108.2373 -14.2888 -1098.2025 167.5417 0.0000 2690.4538 6364.7750 297.1681 3674.3213 6397.5464 293.8085 PRESSURE: 288100 0 0 0 0 0 0 0 0 0 GPRESSURE: 288100 0 0 0 0 0 0 0 0 0 PRESSAVG: 288100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288100 0 0 0 0 0 0 0 0 0 TIMING: 288100 CPU: 1148.06, 0.0039891/step Wall: 1148.06, 0.0039891/step, 0.234803 hours remaining, 109.511719 MB of memory in use. ENERGY: 288100 652.4798 1831.2950 2017.8732 103.7633 -13.5764 -1060.0695 142.6929 0.0000 2712.5530 6387.0113 299.6090 3674.4583 6421.6476 294.3575 PRESSURE: 288200 0 0 0 0 0 0 0 0 0 GPRESSURE: 288200 0 0 0 0 0 0 0 0 0 PRESSAVG: 288200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288200 0 0 0 0 0 0 0 0 0 TIMING: 288200 CPU: 1148.46, 0.00397499/step Wall: 1148.46, 0.00397499/step, 0.233862 hours remaining, 109.511719 MB of memory in use. ENERGY: 288200 620.4592 1873.3700 2013.5838 98.7160 -13.7574 -1022.5864 150.7193 0.0000 2682.7552 6403.2595 296.3178 3720.5043 6436.7330 296.1270 LDB: ============= START OF LOAD BALANCING ============== 1151.23 LDB: ============== END OF LOAD BALANCING =============== 1151.23 LDB: =============== DONE WITH MIGRATION ================ 1151.23 PRESSURE: 288300 0 0 0 0 0 0 0 0 0 GPRESSURE: 288300 0 0 0 0 0 0 0 0 0 PRESSAVG: 288300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288300 0 0 0 0 0 0 0 0 0 TIMING: 288300 CPU: 1148.85, 0.00397665/step Wall: 1148.85, 0.00397665/step, 0.233849 hours remaining, 109.511719 MB of memory in use. ENERGY: 288300 645.5822 1899.7693 2018.6025 103.6609 -13.1322 -1092.0357 164.8730 0.0000 2720.2870 6447.6070 300.4633 3727.3200 6479.1085 297.3675 LDB: ============= START OF LOAD BALANCING ============== 1151.63 LDB: ============== END OF LOAD BALANCING =============== 1151.63 LDB: =============== DONE WITH MIGRATION ================ 1151.63 PRESSURE: 288400 0 0 0 0 0 0 0 0 0 GPRESSURE: 288400 0 0 0 0 0 0 0 0 0 PRESSAVG: 288400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288400 0 0 0 0 0 0 0 0 0 TIMING: 288400 CPU: 1149.25, 0.00399716/step Wall: 1149.25, 0.00399716/step, 0.234944 hours remaining, 109.511719 MB of memory in use. ENERGY: 288400 634.8387 1905.2202 2026.9560 106.9384 -13.5364 -1062.5073 158.4125 0.0000 2644.5064 6400.8285 292.0931 3756.3221 6433.9027 296.5834 PRESSURE: 288500 0 0 0 0 0 0 0 0 0 GPRESSURE: 288500 0 0 0 0 0 0 0 0 0 PRESSAVG: 288500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288500 0 0 0 0 0 0 0 0 0 TIMING: 288500 CPU: 1149.65, 0.00397781/step Wall: 1149.65, 0.00397781/step, 0.233696 hours remaining, 109.511719 MB of memory in use. ENERGY: 288500 689.0246 1830.4543 2053.6858 102.9180 -14.5888 -1065.8303 146.3233 0.0000 2690.6593 6432.6461 297.1908 3741.9868 6462.5479 295.8083 PRESSURE: 288600 0 0 0 0 0 0 0 0 0 GPRESSURE: 288600 0 0 0 0 0 0 0 0 0 PRESSAVG: 288600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288600 0 0 0 0 0 0 0 0 0 TIMING: 288600 CPU: 1150.05, 0.00397809/step Wall: 1150.05, 0.00397809/step, 0.233602 hours remaining, 109.511719 MB of memory in use. ENERGY: 288600 629.9478 1882.4388 2051.1975 109.7416 -14.0641 -1066.9215 168.3357 0.0000 2697.2129 6457.8887 297.9147 3760.6758 6490.0271 298.3513 PRESSURE: 288700 0 0 0 0 0 0 0 0 0 GPRESSURE: 288700 0 0 0 0 0 0 0 0 0 PRESSAVG: 288700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288700 0 0 0 0 0 0 0 0 0 TIMING: 288700 CPU: 1150.45, 0.00398206/step Wall: 1150.45, 0.00398206/step, 0.233725 hours remaining, 109.511719 MB of memory in use. ENERGY: 288700 623.3361 1910.6249 2022.6780 101.4636 -14.2338 -1062.7615 161.9965 0.0000 2713.1103 6456.2140 299.6706 3743.1037 6489.0077 298.4545 PRESSURE: 288800 0 0 0 0 0 0 0 0 0 GPRESSURE: 288800 0 0 0 0 0 0 0 0 0 PRESSAVG: 288800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288800 0 0 0 0 0 0 0 0 0 TIMING: 288800 CPU: 1150.85, 0.00397448/step Wall: 1150.85, 0.00397448/step, 0.233169 hours remaining, 109.511719 MB of memory in use. ENERGY: 288800 648.8996 1855.8514 1998.4263 97.1919 -14.4700 -1042.5980 159.7408 0.0000 2757.5228 6460.5647 304.5761 3703.0419 6497.5886 298.9943 PRESSURE: 288900 0 0 0 0 0 0 0 0 0 GPRESSURE: 288900 0 0 0 0 0 0 0 0 0 PRESSAVG: 288900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 288900 0 0 0 0 0 0 0 0 0 TIMING: 288900 CPU: 1151.25, 0.00401078/step Wall: 1151.25, 0.00401078/step, 0.235188 hours remaining, 109.511719 MB of memory in use. ENERGY: 288900 662.2000 1880.0151 2004.6909 106.5368 -13.6963 -1065.8884 167.9205 0.0000 2729.5984 6471.3772 301.4918 3741.7788 6505.6556 299.2518 PRESSURE: 289000 0 0 0 0 0 0 0 0 0 GPRESSURE: 289000 0 0 0 0 0 0 0 0 0 PRESSAVG: 289000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289000 0 0 0 0 0 0 0 0 0 TIMING: 289000 CPU: 1151.64, 0.00398145/step Wall: 1151.64, 0.00398144/step, 0.233357 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 289000 661.4256 1887.3257 1984.3982 94.5855 -14.2572 -1059.5716 165.4160 0.0000 2742.5167 6461.8388 302.9186 3719.3222 6496.6697 299.5343 PRESSURE: 289100 0 0 0 0 0 0 0 0 0 GPRESSURE: 289100 0 0 0 0 0 0 0 0 0 PRESSAVG: 289100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289100 0 0 0 0 0 0 0 0 0 TIMING: 289100 CPU: 1152.05, 0.00401651/step Wall: 1152.05, 0.00401652/step, 0.235301 hours remaining, 109.511719 MB of memory in use. ENERGY: 289100 673.3710 1872.4620 2004.2332 109.7546 -15.1865 -1034.0994 154.0871 0.0000 2717.3197 6481.9418 300.1355 3764.6221 6514.1744 300.0306 PRESSURE: 289200 0 0 0 0 0 0 0 0 0 GPRESSURE: 289200 0 0 0 0 0 0 0 0 0 PRESSAVG: 289200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289200 0 0 0 0 0 0 0 0 0 TIMING: 289200 CPU: 1152.44, 0.00397742/step Wall: 1152.44, 0.00397742/step, 0.2329 hours remaining, 109.511719 MB of memory in use. ENERGY: 289200 675.1004 1881.8168 2042.9847 102.8399 -14.0131 -1050.8811 163.7595 0.0000 2672.0571 6473.6643 295.1362 3801.6072 6503.7088 300.4436 PRESSURE: 289300 0 0 0 0 0 0 0 0 0 GPRESSURE: 289300 0 0 0 0 0 0 0 0 0 PRESSAVG: 289300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289300 0 0 0 0 0 0 0 0 0 TIMING: 289300 CPU: 1152.84, 0.00397829/step Wall: 1152.84, 0.00397829/step, 0.232841 hours remaining, 109.511719 MB of memory in use. ENERGY: 289300 661.1048 1888.1083 2019.6296 97.9474 -15.2468 -1053.1117 157.1714 0.0000 2688.9301 6444.5331 296.9998 3755.6030 6479.2688 298.9450 PRESSURE: 289400 0 0 0 0 0 0 0 0 0 GPRESSURE: 289400 0 0 0 0 0 0 0 0 0 PRESSAVG: 289400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289400 0 0 0 0 0 0 0 0 0 TIMING: 289400 CPU: 1153.24, 0.00399021/step Wall: 1153.24, 0.00399021/step, 0.233427 hours remaining, 109.511719 MB of memory in use. ENERGY: 289400 655.5839 1866.4824 1994.0573 113.6091 -14.0912 -1042.6863 164.5527 0.0000 2658.7171 6396.2251 293.6627 3737.5080 6429.6578 295.9390 PRESSURE: 289500 0 0 0 0 0 0 0 0 0 GPRESSURE: 289500 0 0 0 0 0 0 0 0 0 PRESSAVG: 289500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289500 0 0 0 0 0 0 0 0 0 TIMING: 289500 CPU: 1153.64, 0.00397486/step Wall: 1153.64, 0.00397486/step, 0.232419 hours remaining, 109.511719 MB of memory in use. ENERGY: 289500 641.8353 1867.4456 2015.0236 96.1148 -15.3032 -1042.4462 144.2202 0.0000 2659.8032 6366.6934 293.7827 3706.8901 6399.7809 294.3801 PRESSURE: 289600 0 0 0 0 0 0 0 0 0 GPRESSURE: 289600 0 0 0 0 0 0 0 0 0 PRESSAVG: 289600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289600 0 0 0 0 0 0 0 0 0 TIMING: 289600 CPU: 1154.04, 0.00398756/step Wall: 1154.04, 0.00398756/step, 0.233051 hours remaining, 109.511719 MB of memory in use. ENERGY: 289600 670.4069 1880.5748 2030.0549 105.7835 -14.0837 -1083.8520 169.0119 0.0000 2645.2355 6403.1318 292.1736 3757.8963 6435.7079 294.6250 PRESSURE: 289700 0 0 0 0 0 0 0 0 0 GPRESSURE: 289700 0 0 0 0 0 0 0 0 0 PRESSAVG: 289700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289700 0 0 0 0 0 0 0 0 0 TIMING: 289700 CPU: 1154.43, 0.00397574/step Wall: 1154.43, 0.00397574/step, 0.232249 hours remaining, 109.511719 MB of memory in use. ENERGY: 289700 657.5019 1879.2232 2005.3890 113.8778 -14.5685 -1060.5781 150.2671 0.0000 2649.5935 6380.7060 292.6550 3731.1125 6409.8902 295.9410 PRESSURE: 289800 0 0 0 0 0 0 0 0 0 GPRESSURE: 289800 0 0 0 0 0 0 0 0 0 PRESSAVG: 289800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289800 0 0 0 0 0 0 0 0 0 TIMING: 289800 CPU: 1154.83, 0.0039747/step Wall: 1154.83, 0.0039747/step, 0.232078 hours remaining, 109.511719 MB of memory in use. ENERGY: 289800 678.1990 1841.1382 2032.7226 104.9273 -15.0982 -1079.9719 146.4287 0.0000 2653.7366 6362.0823 293.1126 3708.3458 6395.0267 295.6996 PRESSURE: 289900 0 0 0 0 0 0 0 0 0 GPRESSURE: 289900 0 0 0 0 0 0 0 0 0 PRESSAVG: 289900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 289900 0 0 0 0 0 0 0 0 0 TIMING: 289900 CPU: 1155.23, 0.00398538/step Wall: 1155.23, 0.00398538/step, 0.232591 hours remaining, 109.511719 MB of memory in use. ENERGY: 289900 673.1236 1864.5625 1995.0720 103.4219 -14.7732 -1086.5180 150.6000 0.0000 2671.3537 6356.8424 295.0585 3685.4888 6390.7232 294.0367 PRESSURE: 290000 0 0 0 0 0 0 0 0 0 GPRESSURE: 290000 0 0 0 0 0 0 0 0 0 PRESSAVG: 290000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290000 0 0 0 0 0 0 0 0 0 TIMING: 290000 CPU: 1155.63, 0.00397686/step Wall: 1155.63, 0.00397686/step, 0.231984 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 290000 646.9032 1816.7486 1992.6659 106.3194 -14.3178 -1033.4819 156.9419 0.0000 2686.2097 6357.9890 296.6993 3671.7793 6390.7215 293.8054 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 290000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 290000 WRITING COORDINATES TO RESTART FILE AT STEP 290000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 290000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 290100 0 0 0 0 0 0 0 0 0 GPRESSURE: 290100 0 0 0 0 0 0 0 0 0 PRESSAVG: 290100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290100 0 0 0 0 0 0 0 0 0 TIMING: 290100 CPU: 1156.06, 0.00433027/step Wall: 1156.06, 0.00433027/step, 0.252479 hours remaining, 109.511719 MB of memory in use. ENERGY: 290100 623.5622 1841.2279 2022.7617 105.7433 -13.2179 -1067.4083 162.8078 0.0000 2681.0128 6356.4894 296.1253 3675.4767 6388.7752 293.7276 PRESSURE: 290200 0 0 0 0 0 0 0 0 0 GPRESSURE: 290200 0 0 0 0 0 0 0 0 0 PRESSAVG: 290200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290200 0 0 0 0 0 0 0 0 0 TIMING: 290200 CPU: 1156.46, 0.00397397/step Wall: 1156.46, 0.00397397/step, 0.231594 hours remaining, 109.511719 MB of memory in use. ENERGY: 290200 644.4433 1891.4156 2018.3768 111.6013 -12.8261 -1063.7247 168.0642 0.0000 2671.3023 6428.6528 295.0528 3757.3505 6462.7268 294.4446 PRESSURE: 290300 0 0 0 0 0 0 0 0 0 GPRESSURE: 290300 0 0 0 0 0 0 0 0 0 PRESSAVG: 290300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290300 0 0 0 0 0 0 0 0 0 TIMING: 290300 CPU: 1156.86, 0.00397361/step Wall: 1156.86, 0.00397361/step, 0.231463 hours remaining, 109.511719 MB of memory in use. ENERGY: 290300 652.6784 1902.1774 2037.8866 111.2624 -15.1142 -1041.7672 161.5293 0.0000 2655.2545 6463.9073 293.2803 3808.6528 6493.7024 297.6622 PRESSURE: 290400 0 0 0 0 0 0 0 0 0 GPRESSURE: 290400 0 0 0 0 0 0 0 0 0 PRESSAVG: 290400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290400 0 0 0 0 0 0 0 0 0 TIMING: 290400 CPU: 1157.26, 0.00398762/step Wall: 1157.26, 0.00398761/step, 0.232168 hours remaining, 109.511719 MB of memory in use. ENERGY: 290400 654.2666 1892.1221 2050.8832 117.7964 -14.0796 -1074.7784 154.1798 0.0000 2706.4771 6486.8671 298.9379 3780.3900 6519.0460 300.0925 PRESSURE: 290500 0 0 0 0 0 0 0 0 0 GPRESSURE: 290500 0 0 0 0 0 0 0 0 0 PRESSAVG: 290500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290500 0 0 0 0 0 0 0 0 0 TIMING: 290500 CPU: 1157.65, 0.00397495/step Wall: 1157.65, 0.00397496/step, 0.231321 hours remaining, 109.511719 MB of memory in use. ENERGY: 290500 630.0541 1885.5728 2019.9798 102.4852 -14.4381 -1066.8093 159.4818 0.0000 2723.0019 6439.3281 300.7631 3716.3262 6471.5219 299.2820 PRESSURE: 290600 0 0 0 0 0 0 0 0 0 GPRESSURE: 290600 0 0 0 0 0 0 0 0 0 PRESSAVG: 290600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290600 0 0 0 0 0 0 0 0 0 TIMING: 290600 CPU: 1158.05, 0.00398908/step Wall: 1158.05, 0.00398908/step, 0.232032 hours remaining, 109.511719 MB of memory in use. ENERGY: 290600 670.4761 1852.9725 1994.3998 108.0206 -14.1939 -1066.5596 154.1821 0.0000 2725.1461 6424.4436 301.0000 3699.2975 6458.1325 298.6150 PRESSURE: 290700 0 0 0 0 0 0 0 0 0 GPRESSURE: 290700 0 0 0 0 0 0 0 0 0 PRESSAVG: 290700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290700 0 0 0 0 0 0 0 0 0 TIMING: 290700 CPU: 1158.45, 0.00397427/step Wall: 1158.45, 0.00397427/step, 0.23106 hours remaining, 109.511719 MB of memory in use. ENERGY: 290700 645.3651 1862.8647 2024.0573 103.9534 -13.3961 -1068.4186 180.7969 0.0000 2678.5889 6413.8116 295.8576 3735.2227 6446.0236 296.1986 PRESSURE: 290800 0 0 0 0 0 0 0 0 0 GPRESSURE: 290800 0 0 0 0 0 0 0 0 0 PRESSAVG: 290800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290800 0 0 0 0 0 0 0 0 0 TIMING: 290800 CPU: 1158.85, 0.0039744/step Wall: 1158.85, 0.0039744/step, 0.230957 hours remaining, 109.511719 MB of memory in use. ENERGY: 290800 642.4594 1860.6830 2024.2422 99.9478 -14.9869 -1069.1971 149.6421 0.0000 2729.6410 6422.4315 301.4965 3692.7905 6455.9474 295.6329 PRESSURE: 290900 0 0 0 0 0 0 0 0 0 GPRESSURE: 290900 0 0 0 0 0 0 0 0 0 PRESSAVG: 290900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 290900 0 0 0 0 0 0 0 0 0 TIMING: 290900 CPU: 1159.25, 0.00398705/step Wall: 1159.25, 0.00398705/step, 0.231581 hours remaining, 109.511719 MB of memory in use. ENERGY: 290900 666.2557 1900.6626 2017.3315 106.3392 -14.4086 -1074.5815 156.8847 0.0000 2695.4434 6453.9270 297.7192 3758.4837 6488.3288 296.5967 PRESSURE: 291000 0 0 0 0 0 0 0 0 0 GPRESSURE: 291000 0 0 0 0 0 0 0 0 0 PRESSAVG: 291000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291000 0 0 0 0 0 0 0 0 0 TIMING: 291000 CPU: 1159.64, 0.00397926/step Wall: 1159.64, 0.00397926/step, 0.231018 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 291000 642.2505 1915.4234 2012.1682 101.3253 -14.6085 -1057.6723 149.7062 0.0000 2745.5491 6494.1420 303.2535 3748.5929 6528.8988 300.5719 PRESSURE: 291100 0 0 0 0 0 0 0 0 0 GPRESSURE: 291100 0 0 0 0 0 0 0 0 0 PRESSAVG: 291100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291100 0 0 0 0 0 0 0 0 0 TIMING: 291100 CPU: 1160.04, 0.00398755/step Wall: 1160.04, 0.00398755/step, 0.231389 hours remaining, 109.511719 MB of memory in use. ENERGY: 291100 695.8465 1938.0272 2003.0694 109.2413 -15.4298 -1067.1111 160.3855 0.0000 2680.3697 6504.3985 296.0543 3824.0289 6534.4230 301.4702 PRESSURE: 291200 0 0 0 0 0 0 0 0 0 GPRESSURE: 291200 0 0 0 0 0 0 0 0 0 PRESSAVG: 291200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291200 0 0 0 0 0 0 0 0 0 TIMING: 291200 CPU: 1160.44, 0.00397316/step Wall: 1160.44, 0.00397316/step, 0.230443 hours remaining, 109.511719 MB of memory in use. ENERGY: 291200 681.4646 1856.9336 2011.4925 110.8063 -15.0509 -1067.8658 151.2820 0.0000 2776.8189 6505.8813 306.7074 3729.0623 6538.3159 300.8401 PRESSURE: 291300 0 0 0 0 0 0 0 0 0 GPRESSURE: 291300 0 0 0 0 0 0 0 0 0 PRESSAVG: 291300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291300 0 0 0 0 0 0 0 0 0 TIMING: 291300 CPU: 1160.84, 0.00397547/step Wall: 1160.84, 0.00397547/step, 0.230467 hours remaining, 109.511719 MB of memory in use. ENERGY: 291300 697.3753 1883.9696 1997.3225 110.9444 -13.7771 -1063.7889 167.7279 0.0000 2701.1340 6480.9077 298.3478 3779.7737 6512.6227 300.5543 PRESSURE: 291400 0 0 0 0 0 0 0 0 0 GPRESSURE: 291400 0 0 0 0 0 0 0 0 0 PRESSAVG: 291400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291400 0 0 0 0 0 0 0 0 0 TIMING: 291400 CPU: 1161.24, 0.00398841/step Wall: 1161.24, 0.00398841/step, 0.231106 hours remaining, 109.511719 MB of memory in use. ENERGY: 291400 634.7224 1901.8520 2021.0729 107.7671 -14.9823 -1058.7334 170.3038 0.0000 2717.5199 6479.5224 300.1576 3762.0025 6513.8564 300.6276 PRESSURE: 291500 0 0 0 0 0 0 0 0 0 GPRESSURE: 291500 0 0 0 0 0 0 0 0 0 PRESSAVG: 291500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291500 0 0 0 0 0 0 0 0 0 TIMING: 291500 CPU: 1161.63, 0.00397666/step Wall: 1161.63, 0.00397666/step, 0.230315 hours remaining, 109.511719 MB of memory in use. ENERGY: 291500 641.3159 1858.0042 2042.3146 96.6837 -15.4012 -1015.8988 163.3879 0.0000 2735.8957 6506.3018 302.1873 3770.4061 6542.6289 300.6397 PRESSURE: 291600 0 0 0 0 0 0 0 0 0 GPRESSURE: 291600 0 0 0 0 0 0 0 0 0 PRESSAVG: 291600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291600 0 0 0 0 0 0 0 0 0 TIMING: 291600 CPU: 1162.03, 0.00398822/step Wall: 1162.03, 0.00398822/step, 0.230874 hours remaining, 109.511719 MB of memory in use. ENERGY: 291600 663.5304 1935.7900 2020.6183 94.3926 -14.5955 -1073.3543 154.5223 0.0000 2772.7570 6553.6608 306.2587 3780.9038 6588.4293 303.3602 PRESSURE: 291700 0 0 0 0 0 0 0 0 0 GPRESSURE: 291700 0 0 0 0 0 0 0 0 0 PRESSAVG: 291700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291700 0 0 0 0 0 0 0 0 0 TIMING: 291700 CPU: 1162.43, 0.00397539/step Wall: 1162.43, 0.00397539/step, 0.23002 hours remaining, 109.511719 MB of memory in use. ENERGY: 291700 688.3625 1849.5597 2004.9614 110.8935 -14.4807 -1042.0255 171.1842 0.0000 2780.4306 6548.8857 307.1063 3768.4550 6582.4512 303.6218 PRESSURE: 291800 0 0 0 0 0 0 0 0 0 GPRESSURE: 291800 0 0 0 0 0 0 0 0 0 PRESSAVG: 291800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291800 0 0 0 0 0 0 0 0 0 TIMING: 291800 CPU: 1162.83, 0.00397444/step Wall: 1162.83, 0.00397444/step, 0.229855 hours remaining, 109.511719 MB of memory in use. ENERGY: 291800 661.2563 1869.0378 1998.6975 96.4717 -14.9552 -1038.0633 158.0010 0.0000 2778.7528 6509.1986 306.9210 3730.4458 6543.5306 302.9570 PRESSURE: 291900 0 0 0 0 0 0 0 0 0 GPRESSURE: 291900 0 0 0 0 0 0 0 0 0 PRESSAVG: 291900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 291900 0 0 0 0 0 0 0 0 0 TIMING: 291900 CPU: 1163.23, 0.00398642/step Wall: 1163.23, 0.00398642/step, 0.230437 hours remaining, 109.511719 MB of memory in use. ENERGY: 291900 665.5360 1846.5102 2042.8388 106.7951 -14.4055 -1054.6606 170.2025 0.0000 2749.1004 6511.9169 303.6458 3762.8166 6546.4226 301.7242 PRESSURE: 292000 0 0 0 0 0 0 0 0 0 GPRESSURE: 292000 0 0 0 0 0 0 0 0 0 PRESSAVG: 292000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292000 0 0 0 0 0 0 0 0 0 TIMING: 292000 CPU: 1163.62, 0.0039743/step Wall: 1163.62, 0.0039743/step, 0.229626 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 292000 682.2820 1868.4983 2008.5889 102.8798 -15.8643 -1063.8080 163.6379 0.0000 2777.0028 6523.2174 306.7277 3746.2146 6557.2364 302.8101 PRESSURE: 292100 0 0 0 0 0 0 0 0 0 GPRESSURE: 292100 0 0 0 0 0 0 0 0 0 PRESSAVG: 292100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292100 0 0 0 0 0 0 0 0 0 TIMING: 292100 CPU: 1164.02, 0.00398981/step Wall: 1164.02, 0.00398981/step, 0.230412 hours remaining, 109.511719 MB of memory in use. ENERGY: 292100 667.9318 1875.7324 2015.7386 110.4541 -15.5622 -1060.9088 158.7015 0.0000 2726.0053 6478.0927 301.0949 3752.0874 6514.9753 301.9448 PRESSURE: 292200 0 0 0 0 0 0 0 0 0 GPRESSURE: 292200 0 0 0 0 0 0 0 0 0 PRESSAVG: 292200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292200 0 0 0 0 0 0 0 0 0 TIMING: 292200 CPU: 1164.42, 0.00397441/step Wall: 1164.42, 0.00397441/step, 0.229412 hours remaining, 109.511719 MB of memory in use. ENERGY: 292200 664.8387 1826.3088 2041.7968 101.1037 -13.5870 -1023.4564 152.1315 0.0000 2678.2674 6427.4034 295.8221 3749.1360 6461.5644 299.0307 LDB: ============= START OF LOAD BALANCING ============== 1167.19 LDB: ============== END OF LOAD BALANCING =============== 1167.19 LDB: =============== DONE WITH MIGRATION ================ 1167.19 PRESSURE: 292300 0 0 0 0 0 0 0 0 0 GPRESSURE: 292300 0 0 0 0 0 0 0 0 0 PRESSAVG: 292300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292300 0 0 0 0 0 0 0 0 0 TIMING: 292300 CPU: 1164.82, 0.00397748/step Wall: 1164.82, 0.00397747/step, 0.229478 hours remaining, 109.511719 MB of memory in use. ENERGY: 292300 644.7682 1861.5281 2017.0683 107.8532 -14.0847 -1030.8747 151.9187 0.0000 2714.4145 6452.5917 299.8146 3738.1772 6483.7941 297.6631 LDB: ============= START OF LOAD BALANCING ============== 1167.59 LDB: ============== END OF LOAD BALANCING =============== 1167.59 LDB: =============== DONE WITH MIGRATION ================ 1167.59 PRESSURE: 292400 0 0 0 0 0 0 0 0 0 GPRESSURE: 292400 0 0 0 0 0 0 0 0 0 PRESSAVG: 292400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292400 0 0 0 0 0 0 0 0 0 TIMING: 292400 CPU: 1165.22, 0.00399596/step Wall: 1165.22, 0.00399597/step, 0.230434 hours remaining, 109.511719 MB of memory in use. ENERGY: 292400 631.8915 1868.6935 2012.0749 98.3446 -13.8015 -1052.7720 150.9171 0.0000 2712.0898 6407.4381 299.5579 3695.3482 6438.7093 298.1673 PRESSURE: 292500 0 0 0 0 0 0 0 0 0 GPRESSURE: 292500 0 0 0 0 0 0 0 0 0 PRESSAVG: 292500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292500 0 0 0 0 0 0 0 0 0 TIMING: 292500 CPU: 1165.61, 0.00397597/step Wall: 1165.61, 0.00397597/step, 0.229171 hours remaining, 109.511719 MB of memory in use. ENERGY: 292500 639.1933 1872.6636 2030.7345 100.1684 -14.4873 -1061.7897 146.9187 0.0000 2718.3101 6431.7115 300.2449 3713.4014 6465.8711 297.1556 PRESSURE: 292600 0 0 0 0 0 0 0 0 0 GPRESSURE: 292600 0 0 0 0 0 0 0 0 0 PRESSAVG: 292600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292600 0 0 0 0 0 0 0 0 0 TIMING: 292600 CPU: 1166.01, 0.00398694/step Wall: 1166.01, 0.00398694/step, 0.229692 hours remaining, 109.511719 MB of memory in use. ENERGY: 292600 635.1441 1883.8232 2039.1068 104.6534 -14.2578 -1074.4913 165.8050 0.0000 2695.7783 6435.5616 297.7562 3739.7833 6467.6843 297.4851 PRESSURE: 292700 0 0 0 0 0 0 0 0 0 GPRESSURE: 292700 0 0 0 0 0 0 0 0 0 PRESSAVG: 292700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292700 0 0 0 0 0 0 0 0 0 TIMING: 292700 CPU: 1166.41, 0.00397322/step Wall: 1166.41, 0.00397322/step, 0.228791 hours remaining, 109.511719 MB of memory in use. ENERGY: 292700 650.0601 1894.4978 2045.1059 109.2044 -13.4245 -1062.8838 152.4642 0.0000 2675.8645 6450.8886 295.5567 3775.0240 6484.7902 297.7053 PRESSURE: 292800 0 0 0 0 0 0 0 0 0 GPRESSURE: 292800 0 0 0 0 0 0 0 0 0 PRESSAVG: 292800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292800 0 0 0 0 0 0 0 0 0 TIMING: 292800 CPU: 1166.81, 0.00397441/step Wall: 1166.81, 0.00397441/step, 0.228749 hours remaining, 109.511719 MB of memory in use. ENERGY: 292800 638.2641 1904.6399 2027.4834 107.8703 -14.0924 -1068.2761 153.4016 0.0000 2719.3726 6468.6633 300.3623 3749.2907 6498.3186 299.3797 PRESSURE: 292900 0 0 0 0 0 0 0 0 0 GPRESSURE: 292900 0 0 0 0 0 0 0 0 0 PRESSAVG: 292900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 292900 0 0 0 0 0 0 0 0 0 TIMING: 292900 CPU: 1167.21, 0.00398711/step Wall: 1167.21, 0.00398711/step, 0.22937 hours remaining, 109.511719 MB of memory in use. ENERGY: 292900 660.9856 1904.2015 2051.9270 113.4535 -13.2632 -1070.3510 173.2296 0.0000 2689.6643 6509.8474 297.0809 3820.1830 6541.0649 300.5015 PRESSURE: 293000 0 0 0 0 0 0 0 0 0 GPRESSURE: 293000 0 0 0 0 0 0 0 0 0 PRESSAVG: 293000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293000 0 0 0 0 0 0 0 0 0 TIMING: 293000 CPU: 1167.6, 0.00397678/step Wall: 1167.6, 0.00397678/step, 0.228665 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 293000 644.5666 1923.6769 2034.8273 99.7656 -15.2895 -1022.4299 148.8194 0.0000 2672.1920 6486.1283 295.1510 3813.9364 6517.1540 300.7479 PRESSURE: 293100 0 0 0 0 0 0 0 0 0 GPRESSURE: 293100 0 0 0 0 0 0 0 0 0 PRESSAVG: 293100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293100 0 0 0 0 0 0 0 0 0 TIMING: 293100 CPU: 1168, 0.00398835/step Wall: 1168, 0.00398835/step, 0.229219 hours remaining, 109.511719 MB of memory in use. ENERGY: 293100 642.7077 1885.4490 2051.0286 110.1732 -14.6868 -1050.5294 161.7683 0.0000 2764.3380 6550.2485 305.3288 3785.9105 6584.7839 300.9660 PRESSURE: 293200 0 0 0 0 0 0 0 0 0 GPRESSURE: 293200 0 0 0 0 0 0 0 0 0 PRESSAVG: 293200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293200 0 0 0 0 0 0 0 0 0 TIMING: 293200 CPU: 1168.4, 0.00397482/step Wall: 1168.4, 0.00397482/step, 0.228331 hours remaining, 109.511719 MB of memory in use. ENERGY: 293200 635.9895 1882.0539 2041.3101 110.3418 -14.3088 -1051.0875 157.4883 0.0000 2796.1682 6557.9554 308.8446 3761.7872 6591.6616 304.2441 PRESSURE: 293300 0 0 0 0 0 0 0 0 0 GPRESSURE: 293300 0 0 0 0 0 0 0 0 0 PRESSAVG: 293300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293300 0 0 0 0 0 0 0 0 0 TIMING: 293300 CPU: 1168.8, 0.00397257/step Wall: 1168.8, 0.00397257/step, 0.228092 hours remaining, 109.511719 MB of memory in use. ENERGY: 293300 679.4506 1878.0791 2027.4982 116.0463 -13.6045 -1034.7945 145.2461 0.0000 2756.4913 6554.4126 304.4621 3797.9213 6584.1023 303.8915 PRESSURE: 293400 0 0 0 0 0 0 0 0 0 GPRESSURE: 293400 0 0 0 0 0 0 0 0 0 PRESSAVG: 293400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293400 0 0 0 0 0 0 0 0 0 TIMING: 293400 CPU: 1169.2, 0.00398693/step Wall: 1169.2, 0.00398693/step, 0.228806 hours remaining, 109.511719 MB of memory in use. ENERGY: 293400 669.5407 1922.5037 2016.8221 108.1853 -14.4078 -1064.0352 167.2400 0.0000 2759.3391 6565.1880 304.7767 3805.8489 6597.7209 303.5531 PRESSURE: 293500 0 0 0 0 0 0 0 0 0 GPRESSURE: 293500 0 0 0 0 0 0 0 0 0 PRESSAVG: 293500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293500 0 0 0 0 0 0 0 0 0 TIMING: 293500 CPU: 1169.59, 0.00397826/step Wall: 1169.59, 0.00397826/step, 0.228197 hours remaining, 109.511719 MB of memory in use. ENERGY: 293500 701.0049 1906.2776 2039.1081 99.2871 -15.4926 -1073.7779 144.7604 0.0000 2739.3634 6540.5312 302.5703 3801.1678 6571.7352 304.2011 PRESSURE: 293600 0 0 0 0 0 0 0 0 0 GPRESSURE: 293600 0 0 0 0 0 0 0 0 0 PRESSAVG: 293600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293600 0 0 0 0 0 0 0 0 0 TIMING: 293600 CPU: 1169.99, 0.00398815/step Wall: 1169.99, 0.00398815/step, 0.228654 hours remaining, 109.511719 MB of memory in use. ENERGY: 293600 657.8981 1879.8969 2044.1771 113.0856 -15.0129 -1071.4590 160.0419 0.0000 2707.3944 6476.0221 299.0393 3768.6277 6510.4133 301.9280 PRESSURE: 293700 0 0 0 0 0 0 0 0 0 GPRESSURE: 293700 0 0 0 0 0 0 0 0 0 PRESSAVG: 293700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293700 0 0 0 0 0 0 0 0 0 TIMING: 293700 CPU: 1170.39, 0.00397763/step Wall: 1170.39, 0.00397763/step, 0.22794 hours remaining, 109.511719 MB of memory in use. ENERGY: 293700 668.9018 1826.5610 2033.2282 108.3168 -14.2776 -1048.3505 161.3464 0.0000 2749.7375 6485.4636 303.7162 3735.7261 6519.2702 299.2321 PRESSURE: 293800 0 0 0 0 0 0 0 0 0 GPRESSURE: 293800 0 0 0 0 0 0 0 0 0 PRESSAVG: 293800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293800 0 0 0 0 0 0 0 0 0 TIMING: 293800 CPU: 1170.79, 0.00397462/step Wall: 1170.79, 0.00397462/step, 0.227657 hours remaining, 109.511719 MB of memory in use. ENERGY: 293800 645.8010 1913.2407 2008.2017 93.2745 -13.7641 -1036.4601 168.6509 0.0000 2717.2355 6496.1801 300.1262 3778.9446 6526.7403 301.1229 PRESSURE: 293900 0 0 0 0 0 0 0 0 0 GPRESSURE: 293900 0 0 0 0 0 0 0 0 0 PRESSAVG: 293900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 293900 0 0 0 0 0 0 0 0 0 TIMING: 293900 CPU: 1171.19, 0.00398842/step Wall: 1171.19, 0.00398842/step, 0.228337 hours remaining, 109.511719 MB of memory in use. ENERGY: 293900 608.8296 1932.4550 1995.9158 96.4921 -14.5522 -1048.6408 153.6864 0.0000 2712.8940 6437.0800 299.6467 3724.1859 6471.4731 300.4120 PRESSURE: 294000 0 0 0 0 0 0 0 0 0 GPRESSURE: 294000 0 0 0 0 0 0 0 0 0 PRESSAVG: 294000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294000 0 0 0 0 0 0 0 0 0 TIMING: 294000 CPU: 1171.58, 0.00397593/step Wall: 1171.58, 0.00397593/step, 0.227511 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 294000 626.3892 1868.6535 2043.2036 105.6749 -14.8830 -1001.5605 165.3748 0.0000 2672.1330 6464.9855 295.1445 3792.8525 6496.2975 298.1431 PRESSURE: 294100 0 0 0 0 0 0 0 0 0 GPRESSURE: 294100 0 0 0 0 0 0 0 0 0 PRESSAVG: 294100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294100 0 0 0 0 0 0 0 0 0 TIMING: 294100 CPU: 1171.98, 0.00398888/step Wall: 1171.98, 0.00398888/step, 0.228142 hours remaining, 109.511719 MB of memory in use. ENERGY: 294100 654.6383 1885.4001 2011.6429 109.5130 -13.9269 -1037.0078 174.7057 0.0000 2680.1294 6465.0947 296.0278 3784.9653 6497.0869 297.9873 PRESSURE: 294200 0 0 0 0 0 0 0 0 0 GPRESSURE: 294200 0 0 0 0 0 0 0 0 0 PRESSAVG: 294200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294200 0 0 0 0 0 0 0 0 0 TIMING: 294200 CPU: 1172.38, 0.003973/step Wall: 1172.38, 0.003973/step, 0.227123 hours remaining, 109.511719 MB of memory in use. ENERGY: 294200 663.1631 1817.9821 2006.6034 100.9623 -14.7008 -1049.2297 169.9179 0.0000 2788.3593 6483.0575 307.9821 3694.6982 6519.7450 300.4921 PRESSURE: 294300 0 0 0 0 0 0 0 0 0 GPRESSURE: 294300 0 0 0 0 0 0 0 0 0 PRESSAVG: 294300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294300 0 0 0 0 0 0 0 0 0 TIMING: 294300 CPU: 1172.78, 0.00397187/step Wall: 1172.78, 0.00397187/step, 0.226948 hours remaining, 109.511719 MB of memory in use. ENERGY: 294300 653.5519 1882.3079 2025.7277 108.4251 -15.1807 -1032.2767 154.6185 0.0000 2719.8021 6496.9760 300.4097 3777.1738 6531.7846 300.5118 PRESSURE: 294400 0 0 0 0 0 0 0 0 0 GPRESSURE: 294400 0 0 0 0 0 0 0 0 0 PRESSAVG: 294400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294400 0 0 0 0 0 0 0 0 0 TIMING: 294400 CPU: 1173.18, 0.00398661/step Wall: 1173.18, 0.00398661/step, 0.22768 hours remaining, 109.511719 MB of memory in use. ENERGY: 294400 668.7453 1877.8828 2027.7025 103.1226 -13.9039 -1040.6248 156.9719 0.0000 2757.5282 6537.4245 304.5767 3779.8963 6570.7012 301.9877 PRESSURE: 294500 0 0 0 0 0 0 0 0 0 GPRESSURE: 294500 0 0 0 0 0 0 0 0 0 PRESSAVG: 294500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294500 0 0 0 0 0 0 0 0 0 TIMING: 294500 CPU: 1173.57, 0.00397648/step Wall: 1173.57, 0.00397648/step, 0.226991 hours remaining, 109.511719 MB of memory in use. ENERGY: 294500 642.4942 1918.3279 2017.6948 104.7484 -14.0494 -1029.3496 162.8910 0.0000 2694.5583 6497.3156 297.6215 3802.7573 6531.8096 302.7513 PRESSURE: 294600 0 0 0 0 0 0 0 0 0 GPRESSURE: 294600 0 0 0 0 0 0 0 0 0 PRESSAVG: 294600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294600 0 0 0 0 0 0 0 0 0 TIMING: 294600 CPU: 1173.97, 0.00398901/step Wall: 1173.97, 0.00398901/step, 0.227595 hours remaining, 109.511719 MB of memory in use. ENERGY: 294600 689.9959 1889.6103 2007.4097 100.4371 -13.7263 -1039.6831 159.2077 0.0000 2683.6856 6476.9370 296.4206 3793.2513 6508.8733 300.6863 PRESSURE: 294700 0 0 0 0 0 0 0 0 0 GPRESSURE: 294700 0 0 0 0 0 0 0 0 0 PRESSAVG: 294700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294700 0 0 0 0 0 0 0 0 0 TIMING: 294700 CPU: 1174.37, 0.00397292/step Wall: 1174.37, 0.00397292/step, 0.226567 hours remaining, 109.511719 MB of memory in use. ENERGY: 294700 635.7544 1911.4016 2008.0132 120.5443 -15.1324 -1054.0655 171.2806 0.0000 2682.5535 6460.3497 296.2955 3777.7962 6493.6091 299.1603 PRESSURE: 294800 0 0 0 0 0 0 0 0 0 GPRESSURE: 294800 0 0 0 0 0 0 0 0 0 PRESSAVG: 294800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294800 0 0 0 0 0 0 0 0 0 TIMING: 294800 CPU: 1174.77, 0.00397227/step Wall: 1174.77, 0.00397227/step, 0.226419 hours remaining, 109.511719 MB of memory in use. ENERGY: 294800 636.9334 1891.9053 2027.2178 94.9276 -14.5675 -1097.9661 166.7896 0.0000 2700.6761 6405.9161 298.2972 3705.2400 6439.9380 298.9082 PRESSURE: 294900 0 0 0 0 0 0 0 0 0 GPRESSURE: 294900 0 0 0 0 0 0 0 0 0 PRESSAVG: 294900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 294900 0 0 0 0 0 0 0 0 0 TIMING: 294900 CPU: 1175.17, 0.00398405/step Wall: 1175.17, 0.00398405/step, 0.22698 hours remaining, 109.511719 MB of memory in use. ENERGY: 294900 656.4039 1919.4626 2003.7895 90.1210 -15.3879 -1076.3216 150.5398 0.0000 2690.4587 6419.0661 297.1687 3728.6074 6454.8848 296.7379 PRESSURE: 295000 0 0 0 0 0 0 0 0 0 GPRESSURE: 295000 0 0 0 0 0 0 0 0 0 PRESSAVG: 295000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295000 0 0 0 0 0 0 0 0 0 TIMING: 295000 CPU: 1175.56, 0.00397344/step Wall: 1175.56, 0.00397344/step, 0.226265 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 295000 673.8758 1920.8289 2027.9480 97.7439 -15.1849 -1089.2671 161.7595 0.0000 2649.3476 6427.0517 292.6278 3777.7041 6457.8639 297.3192 PRESSURE: 295100 0 0 0 0 0 0 0 0 0 GPRESSURE: 295100 0 0 0 0 0 0 0 0 0 PRESSAVG: 295100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295100 0 0 0 0 0 0 0 0 0 TIMING: 295100 CPU: 1175.96, 0.00398368/step Wall: 1175.96, 0.00398367/step, 0.226737 hours remaining, 109.511719 MB of memory in use. ENERGY: 295100 668.7315 1884.5756 2002.6205 101.8050 -15.8955 -1055.7866 153.2955 0.0000 2710.4798 6449.8258 299.3800 3739.3460 6484.6510 298.4105 PRESSURE: 295200 0 0 0 0 0 0 0 0 0 GPRESSURE: 295200 0 0 0 0 0 0 0 0 0 PRESSAVG: 295200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295200 0 0 0 0 0 0 0 0 0 TIMING: 295200 CPU: 1176.36, 0.00398016/step Wall: 1176.36, 0.00398017/step, 0.226427 hours remaining, 109.511719 MB of memory in use. ENERGY: 295200 621.5701 1849.7402 2028.1620 104.7779 -14.4343 -1032.8086 165.6580 0.0000 2741.5566 6464.2219 302.8126 3722.6653 6496.7441 300.3701 PRESSURE: 295300 0 0 0 0 0 0 0 0 0 GPRESSURE: 295300 0 0 0 0 0 0 0 0 0 PRESSAVG: 295300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295300 0 0 0 0 0 0 0 0 0 TIMING: 295300 CPU: 1176.76, 0.00397562/step Wall: 1176.76, 0.00397562/step, 0.226058 hours remaining, 109.511719 MB of memory in use. ENERGY: 295300 616.8996 1852.8426 2011.7255 109.3001 -14.5021 -1027.0891 163.3836 0.0000 2759.0584 6471.6188 304.7457 3712.5604 6509.4435 300.4428 PRESSURE: 295400 0 0 0 0 0 0 0 0 0 GPRESSURE: 295400 0 0 0 0 0 0 0 0 0 PRESSAVG: 295400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295400 0 0 0 0 0 0 0 0 0 TIMING: 295400 CPU: 1177.16, 0.00398584/step Wall: 1177.16, 0.00398584/step, 0.226529 hours remaining, 109.511719 MB of memory in use. ENERGY: 295400 640.2866 1859.0167 1998.4968 119.7981 -14.7673 -1054.8943 158.9638 0.0000 2754.0665 6460.9669 304.1943 3706.9004 6498.2496 298.6760 PRESSURE: 295500 0 0 0 0 0 0 0 0 0 GPRESSURE: 295500 0 0 0 0 0 0 0 0 0 PRESSAVG: 295500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295500 0 0 0 0 0 0 0 0 0 TIMING: 295500 CPU: 1177.55, 0.00397837/step Wall: 1177.55, 0.00397837/step, 0.225994 hours remaining, 109.511719 MB of memory in use. ENERGY: 295500 676.2282 1898.9155 2028.9971 104.4415 -15.4593 -1063.2883 157.1323 0.0000 2673.0588 6460.0257 295.2468 3786.9669 6490.1358 300.2952 PRESSURE: 295600 0 0 0 0 0 0 0 0 0 GPRESSURE: 295600 0 0 0 0 0 0 0 0 0 PRESSAVG: 295600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295600 0 0 0 0 0 0 0 0 0 TIMING: 295600 CPU: 1177.95, 0.00397408/step Wall: 1177.95, 0.00397408/step, 0.225639 hours remaining, 109.511719 MB of memory in use. ENERGY: 295600 639.7741 1859.1507 2029.2449 108.5357 -15.7772 -1069.5377 164.0132 0.0000 2745.3642 6460.7681 303.2331 3715.4038 6495.0007 299.9338 PRESSURE: 295700 0 0 0 0 0 0 0 0 0 GPRESSURE: 295700 0 0 0 0 0 0 0 0 0 PRESSAVG: 295700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295700 0 0 0 0 0 0 0 0 0 TIMING: 295700 CPU: 1178.35, 0.0039893/step Wall: 1178.35, 0.0039893/step, 0.226393 hours remaining, 109.511719 MB of memory in use. ENERGY: 295700 662.7275 1836.8850 1998.4096 103.5022 -15.3764 -1063.3697 153.6747 0.0000 2776.2100 6452.6629 306.6401 3676.4529 6489.9587 299.4043 PRESSURE: 295800 0 0 0 0 0 0 0 0 0 GPRESSURE: 295800 0 0 0 0 0 0 0 0 0 PRESSAVG: 295800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295800 0 0 0 0 0 0 0 0 0 TIMING: 295800 CPU: 1178.75, 0.0039744/step Wall: 1178.75, 0.0039744/step, 0.225437 hours remaining, 109.511719 MB of memory in use. ENERGY: 295800 620.9411 1879.9818 2019.4602 98.3643 -14.3498 -1044.5536 149.7696 0.0000 2709.6729 6419.2866 299.2909 3709.6137 6454.9428 297.8753 PRESSURE: 295900 0 0 0 0 0 0 0 0 0 GPRESSURE: 295900 0 0 0 0 0 0 0 0 0 PRESSAVG: 295900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 295900 0 0 0 0 0 0 0 0 0 TIMING: 295900 CPU: 1179.15, 0.00398804/step Wall: 1179.15, 0.00398804/step, 0.2261 hours remaining, 109.511719 MB of memory in use. ENERGY: 295900 684.3069 1866.3788 1995.8370 100.6277 -14.3347 -1085.9264 152.7686 0.0000 2714.8183 6414.4762 299.8592 3699.6579 6449.0652 297.5405 PRESSURE: 296000 0 0 0 0 0 0 0 0 0 GPRESSURE: 296000 0 0 0 0 0 0 0 0 0 PRESSAVG: 296000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296000 0 0 0 0 0 0 0 0 0 TIMING: 296000 CPU: 1179.54, 0.00397693/step Wall: 1179.54, 0.00397693/step, 0.225359 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 296000 659.9271 1850.0121 1989.8650 117.2714 -15.2701 -1037.3768 158.6719 0.0000 2722.3998 6445.5004 300.6966 3723.1006 6480.6985 297.9881 PRESSURE: 296100 0 0 0 0 0 0 0 0 0 GPRESSURE: 296100 0 0 0 0 0 0 0 0 0 PRESSAVG: 296100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296100 0 0 0 0 0 0 0 0 0 TIMING: 296100 CPU: 1179.94, 0.00397397/step Wall: 1179.94, 0.00397397/step, 0.225081 hours remaining, 109.511719 MB of memory in use. ENERGY: 296100 651.5499 1882.0379 2032.0750 107.6325 -15.3501 -1032.5909 165.1034 0.0000 2716.9789 6507.4366 300.0979 3790.4577 6539.7788 299.0941 PRESSURE: 296200 0 0 0 0 0 0 0 0 0 GPRESSURE: 296200 0 0 0 0 0 0 0 0 0 PRESSAVG: 296200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296200 0 0 0 0 0 0 0 0 0 TIMING: 296200 CPU: 1180.34, 0.00399037/step Wall: 1180.34, 0.00399037/step, 0.225899 hours remaining, 109.511719 MB of memory in use. ENERGY: 296200 658.5625 1870.1892 2053.8647 112.8524 -13.7365 -1040.2933 167.2839 0.0000 2697.5191 6506.2420 297.9485 3808.7229 6538.6448 302.2596 LDB: ============= START OF LOAD BALANCING ============== 1183.12 LDB: ============== END OF LOAD BALANCING =============== 1183.12 LDB: =============== DONE WITH MIGRATION ================ 1183.12 PRESSURE: 296300 0 0 0 0 0 0 0 0 0 GPRESSURE: 296300 0 0 0 0 0 0 0 0 0 PRESSAVG: 296300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296300 0 0 0 0 0 0 0 0 0 TIMING: 296300 CPU: 1180.74, 0.00397367/step Wall: 1180.74, 0.00397367/step, 0.224843 hours remaining, 109.511719 MB of memory in use. ENERGY: 296300 649.0566 1899.7484 2016.9107 111.5918 -14.9367 -1053.7687 161.5274 0.0000 2777.8489 6547.9785 306.8212 3770.1296 6580.1360 303.4739 LDB: ============= START OF LOAD BALANCING ============== 1183.52 LDB: ============== END OF LOAD BALANCING =============== 1183.52 LDB: =============== DONE WITH MIGRATION ================ 1183.52 PRESSURE: 296400 0 0 0 0 0 0 0 0 0 GPRESSURE: 296400 0 0 0 0 0 0 0 0 0 PRESSAVG: 296400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296400 0 0 0 0 0 0 0 0 0 TIMING: 296400 CPU: 1181.14, 0.00399724/step Wall: 1181.14, 0.00399724/step, 0.226066 hours remaining, 109.511719 MB of memory in use. ENERGY: 296400 658.4341 1886.0898 2019.4782 93.2349 -14.2612 -1029.5242 163.5446 0.0000 2740.0548 6517.0511 302.6467 3776.9963 6551.6416 302.8548 PRESSURE: 296500 0 0 0 0 0 0 0 0 0 GPRESSURE: 296500 0 0 0 0 0 0 0 0 0 PRESSAVG: 296500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296500 0 0 0 0 0 0 0 0 0 TIMING: 296500 CPU: 1181.54, 0.00397633/step Wall: 1181.54, 0.00397633/step, 0.224773 hours remaining, 109.511719 MB of memory in use. ENERGY: 296500 678.8983 1908.1043 2012.8844 95.8127 -13.6942 -1065.2595 156.5750 0.0000 2752.2496 6525.5704 303.9936 3773.3208 6559.0985 302.3621 PRESSURE: 296600 0 0 0 0 0 0 0 0 0 GPRESSURE: 296600 0 0 0 0 0 0 0 0 0 PRESSAVG: 296600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296600 0 0 0 0 0 0 0 0 0 TIMING: 296600 CPU: 1181.93, 0.00397435/step Wall: 1181.93, 0.00397435/step, 0.224551 hours remaining, 109.511719 MB of memory in use. ENERGY: 296600 694.9057 1920.3679 2017.8624 99.7236 -15.2015 -1070.4491 163.9088 0.0000 2742.2753 6553.3931 302.8919 3811.1178 6585.8045 302.7648 PRESSURE: 296700 0 0 0 0 0 0 0 0 0 GPRESSURE: 296700 0 0 0 0 0 0 0 0 0 PRESSAVG: 296700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296700 0 0 0 0 0 0 0 0 0 TIMING: 296700 CPU: 1182.33, 0.00398978/step Wall: 1182.33, 0.00398977/step, 0.225311 hours remaining, 109.511719 MB of memory in use. ENERGY: 296700 694.2968 1935.1729 2038.5394 112.4171 -14.8246 -1037.1181 176.6152 0.0000 2728.1855 6633.2842 301.3357 3905.0988 6666.7950 306.9530 PRESSURE: 296800 0 0 0 0 0 0 0 0 0 GPRESSURE: 296800 0 0 0 0 0 0 0 0 0 PRESSAVG: 296800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296800 0 0 0 0 0 0 0 0 0 TIMING: 296800 CPU: 1182.73, 0.00397345/step Wall: 1182.73, 0.00397346/step, 0.22428 hours remaining, 109.511719 MB of memory in use. ENERGY: 296800 674.2608 1868.1326 2036.7610 102.8029 -12.9698 -1062.2937 160.0965 0.0000 2842.0594 6608.8498 313.9134 3766.7903 6647.2525 306.8365 PRESSURE: 296900 0 0 0 0 0 0 0 0 0 GPRESSURE: 296900 0 0 0 0 0 0 0 0 0 PRESSAVG: 296900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 296900 0 0 0 0 0 0 0 0 0 TIMING: 296900 CPU: 1183.13, 0.00398874/step Wall: 1183.13, 0.00398874/step, 0.225031 hours remaining, 109.511719 MB of memory in use. ENERGY: 296900 668.3967 1922.2744 2022.9869 121.7350 -14.0740 -1035.2860 167.2291 0.0000 2768.7108 6621.9729 305.8118 3853.2621 6656.2545 307.3128 PRESSURE: 297000 0 0 0 0 0 0 0 0 0 GPRESSURE: 297000 0 0 0 0 0 0 0 0 0 PRESSAVG: 297000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297000 0 0 0 0 0 0 0 0 0 TIMING: 297000 CPU: 1183.53, 0.00397814/step Wall: 1183.53, 0.00397814/step, 0.224323 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 297000 701.9933 1914.8732 1999.8214 96.4327 -14.3475 -1027.2110 153.2395 0.0000 2752.3176 6577.1192 304.0011 3824.8016 6611.4884 307.0015 PRESSURE: 297100 0 0 0 0 0 0 0 0 0 GPRESSURE: 297100 0 0 0 0 0 0 0 0 0 PRESSAVG: 297100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297100 0 0 0 0 0 0 0 0 0 TIMING: 297100 CPU: 1183.92, 0.00397659/step Wall: 1183.92, 0.00397659/step, 0.224125 hours remaining, 109.511719 MB of memory in use. ENERGY: 297100 671.5614 1935.4450 1995.8457 109.2832 -14.7143 -1079.0270 184.3870 0.0000 2810.5688 6613.3499 310.4352 3802.7811 6648.4439 308.0095 PRESSURE: 297200 0 0 0 0 0 0 0 0 0 GPRESSURE: 297200 0 0 0 0 0 0 0 0 0 PRESSAVG: 297200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297200 0 0 0 0 0 0 0 0 0 TIMING: 297200 CPU: 1184.32, 0.00399118/step Wall: 1184.32, 0.00399118/step, 0.224837 hours remaining, 109.511719 MB of memory in use. ENERGY: 297200 683.3119 1860.7191 2026.1310 106.7306 -15.7526 -1052.1892 160.2937 0.0000 2808.1334 6577.3779 310.1662 3769.2445 6609.4442 306.1996 PRESSURE: 297300 0 0 0 0 0 0 0 0 0 GPRESSURE: 297300 0 0 0 0 0 0 0 0 0 PRESSAVG: 297300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297300 0 0 0 0 0 0 0 0 0 TIMING: 297300 CPU: 1184.72, 0.00397554/step Wall: 1184.72, 0.00397554/step, 0.223845 hours remaining, 109.511719 MB of memory in use. ENERGY: 297300 661.7655 1933.0652 2020.9366 112.7420 -15.1288 -1047.6019 157.2359 0.0000 2766.3906 6589.4052 305.5555 3823.0146 6623.4186 305.7780 PRESSURE: 297400 0 0 0 0 0 0 0 0 0 GPRESSURE: 297400 0 0 0 0 0 0 0 0 0 PRESSAVG: 297400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297400 0 0 0 0 0 0 0 0 0 TIMING: 297400 CPU: 1185.12, 0.00398859/step Wall: 1185.12, 0.00398859/step, 0.224469 hours remaining, 109.511719 MB of memory in use. ENERGY: 297400 622.0162 1895.3865 2023.9260 101.9837 -15.3162 -1018.4829 170.7663 0.0000 2799.9156 6580.1953 309.2585 3780.2797 6616.7480 306.8871 PRESSURE: 297500 0 0 0 0 0 0 0 0 0 GPRESSURE: 297500 0 0 0 0 0 0 0 0 0 PRESSAVG: 297500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297500 0 0 0 0 0 0 0 0 0 TIMING: 297500 CPU: 1185.52, 0.0039772/step Wall: 1185.52, 0.0039772/step, 0.223718 hours remaining, 109.511719 MB of memory in use. ENERGY: 297500 620.5390 1871.8508 2011.6247 110.9274 -15.1366 -986.1973 168.9213 0.0000 2783.4952 6566.0245 307.4448 3782.5293 6602.4990 307.1480 PRESSURE: 297600 0 0 0 0 0 0 0 0 0 GPRESSURE: 297600 0 0 0 0 0 0 0 0 0 PRESSAVG: 297600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297600 0 0 0 0 0 0 0 0 0 TIMING: 297600 CPU: 1185.91, 0.00397577/step Wall: 1185.91, 0.00397577/step, 0.223527 hours remaining, 109.511719 MB of memory in use. ENERGY: 297600 648.4403 1894.1611 2039.7650 103.7988 -14.7837 -1052.9222 161.3489 0.0000 2766.2915 6546.0997 305.5446 3779.8083 6579.3579 303.2175 PRESSURE: 297700 0 0 0 0 0 0 0 0 0 GPRESSURE: 297700 0 0 0 0 0 0 0 0 0 PRESSAVG: 297700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297700 0 0 0 0 0 0 0 0 0 TIMING: 297700 CPU: 1186.31, 0.003989/step Wall: 1186.31, 0.003989/step, 0.22416 hours remaining, 109.511719 MB of memory in use. ENERGY: 297700 647.2242 1955.4518 2013.7906 108.9443 -14.3210 -1040.0871 154.7629 0.0000 2724.7663 6550.5320 300.9580 3825.7657 6578.8728 304.6262 PRESSURE: 297800 0 0 0 0 0 0 0 0 0 GPRESSURE: 297800 0 0 0 0 0 0 0 0 0 PRESSAVG: 297800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297800 0 0 0 0 0 0 0 0 0 TIMING: 297800 CPU: 1186.71, 0.0039759/step Wall: 1186.71, 0.0039759/step, 0.223313 hours remaining, 109.511719 MB of memory in use. ENERGY: 297800 673.2890 1903.9509 2016.8156 97.4771 -13.3533 -1047.0898 189.4549 0.0000 2730.8178 6551.3623 301.6264 3820.5446 6585.3650 302.5494 PRESSURE: 297900 0 0 0 0 0 0 0 0 0 GPRESSURE: 297900 0 0 0 0 0 0 0 0 0 PRESSAVG: 297900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 297900 0 0 0 0 0 0 0 0 0 TIMING: 297900 CPU: 1187.11, 0.00398705/step Wall: 1187.11, 0.00398705/step, 0.223829 hours remaining, 109.511719 MB of memory in use. ENERGY: 297900 679.4867 1839.4948 2024.8444 110.3542 -14.6378 -1029.1813 158.4274 0.0000 2764.9640 6533.7523 305.3980 3768.7883 6568.5249 303.1061 PRESSURE: 298000 0 0 0 0 0 0 0 0 0 GPRESSURE: 298000 0 0 0 0 0 0 0 0 0 PRESSAVG: 298000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298000 0 0 0 0 0 0 0 0 0 TIMING: 298000 CPU: 1187.51, 0.00397771/step Wall: 1187.51, 0.00397771/step, 0.223194 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 298000 656.6557 1892.9987 2030.9368 97.0639 -15.1128 -1035.7000 164.7461 0.0000 2699.9677 6491.5561 298.2190 3791.5884 6526.9262 302.2094 PRESSURE: 298100 0 0 0 0 0 0 0 0 0 GPRESSURE: 298100 0 0 0 0 0 0 0 0 0 PRESSAVG: 298100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298100 0 0 0 0 0 0 0 0 0 TIMING: 298100 CPU: 1187.9, 0.00397512/step Wall: 1187.9, 0.00397512/step, 0.222938 hours remaining, 109.511719 MB of memory in use. ENERGY: 298100 613.5351 1936.3008 1989.8644 114.5479 -14.7380 -1026.8863 172.7625 0.0000 2704.6505 6490.0370 298.7362 3785.3865 6519.6974 300.7081 PRESSURE: 298200 0 0 0 0 0 0 0 0 0 GPRESSURE: 298200 0 0 0 0 0 0 0 0 0 PRESSAVG: 298200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298200 0 0 0 0 0 0 0 0 0 TIMING: 298200 CPU: 1188.3, 0.00399037/step Wall: 1188.3, 0.00399037/step, 0.223682 hours remaining, 109.511719 MB of memory in use. ENERGY: 298200 642.6442 1904.6196 2036.2696 111.4935 -15.9981 -1048.8616 180.0195 0.0000 2685.0935 6495.2801 296.5761 3810.1866 6530.2939 301.1995 PRESSURE: 298300 0 0 0 0 0 0 0 0 0 GPRESSURE: 298300 0 0 0 0 0 0 0 0 0 PRESSAVG: 298300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298300 0 0 0 0 0 0 0 0 0 TIMING: 298300 CPU: 1188.7, 0.00397733/step Wall: 1188.7, 0.00397733/step, 0.222841 hours remaining, 109.511719 MB of memory in use. ENERGY: 298300 654.9626 1881.1277 2039.7012 104.0383 -16.1426 -1017.8569 159.9173 0.0000 2700.6606 6506.4081 298.2955 3805.7475 6539.5695 300.1351 PRESSURE: 298400 0 0 0 0 0 0 0 0 0 GPRESSURE: 298400 0 0 0 0 0 0 0 0 0 PRESSAVG: 298400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298400 0 0 0 0 0 0 0 0 0 TIMING: 298400 CPU: 1189.1, 0.00398811/step Wall: 1189.1, 0.00398811/step, 0.223334 hours remaining, 109.511719 MB of memory in use. ENERGY: 298400 689.7801 1882.6364 2029.7138 97.0704 -14.5847 -1026.5177 162.0537 0.0000 2749.0879 6569.2400 303.6444 3820.1521 6602.4857 302.3500 PRESSURE: 298500 0 0 0 0 0 0 0 0 0 GPRESSURE: 298500 0 0 0 0 0 0 0 0 0 PRESSAVG: 298500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298500 0 0 0 0 0 0 0 0 0 TIMING: 298500 CPU: 1189.5, 0.00397623/step Wall: 1189.5, 0.00397623/step, 0.222558 hours remaining, 109.511719 MB of memory in use. ENERGY: 298500 688.6832 1915.4238 2034.8750 112.7846 -14.7720 -1061.4768 149.5436 0.0000 2731.0772 6556.1386 301.6551 3825.0614 6588.5051 304.4990 PRESSURE: 298600 0 0 0 0 0 0 0 0 0 GPRESSURE: 298600 0 0 0 0 0 0 0 0 0 PRESSAVG: 298600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298600 0 0 0 0 0 0 0 0 0 TIMING: 298600 CPU: 1189.9, 0.00397338/step Wall: 1189.9, 0.00397337/step, 0.222288 hours remaining, 109.511719 MB of memory in use. ENERGY: 298600 637.7313 1916.5230 2054.2873 104.5003 -13.3288 -1061.5813 179.8942 0.0000 2749.6650 6567.6911 303.7082 3818.0261 6600.4610 304.4869 PRESSURE: 298700 0 0 0 0 0 0 0 0 0 GPRESSURE: 298700 0 0 0 0 0 0 0 0 0 PRESSAVG: 298700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298700 0 0 0 0 0 0 0 0 0 TIMING: 298700 CPU: 1190.29, 0.00398739/step Wall: 1190.29, 0.0039874/step, 0.222962 hours remaining, 109.511719 MB of memory in use. ENERGY: 298700 666.9366 1880.0358 2025.9206 100.0528 -15.1803 -1030.2425 147.6159 0.0000 2776.5179 6551.6567 306.6741 3775.1388 6584.2642 304.9358 PRESSURE: 298800 0 0 0 0 0 0 0 0 0 GPRESSURE: 298800 0 0 0 0 0 0 0 0 0 PRESSAVG: 298800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298800 0 0 0 0 0 0 0 0 0 TIMING: 298800 CPU: 1190.69, 0.00397541/step Wall: 1190.69, 0.00397541/step, 0.222181 hours remaining, 109.511719 MB of memory in use. ENERGY: 298800 655.5227 1931.6226 2041.6478 117.8091 -14.0058 -1057.3022 172.5502 0.0000 2729.5766 6577.4211 301.4893 3847.8445 6608.5597 304.4742 PRESSURE: 298900 0 0 0 0 0 0 0 0 0 GPRESSURE: 298900 0 0 0 0 0 0 0 0 0 PRESSAVG: 298900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 298900 0 0 0 0 0 0 0 0 0 TIMING: 298900 CPU: 1191.09, 0.00400003/step Wall: 1191.09, 0.00400003/step, 0.223446 hours remaining, 109.511719 MB of memory in use. ENERGY: 298900 678.7726 1874.8209 2030.6482 117.0797 -15.1161 -1049.2707 161.1177 0.0000 2705.2409 6503.2931 298.8014 3798.0522 6533.8898 302.3090 PRESSURE: 299000 0 0 0 0 0 0 0 0 0 GPRESSURE: 299000 0 0 0 0 0 0 0 0 0 PRESSAVG: 299000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299000 0 0 0 0 0 0 0 0 0 TIMING: 299000 CPU: 1191.49, 0.00397673/step Wall: 1191.49, 0.00397672/step, 0.222033 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 299000 675.8511 1918.2381 2003.3041 107.9244 -15.0717 -1080.8588 176.9700 0.0000 2741.2762 6527.6333 302.7816 3786.3572 6560.1144 301.8616 PRESSURE: 299100 0 0 0 0 0 0 0 0 0 GPRESSURE: 299100 0 0 0 0 0 0 0 0 0 PRESSAVG: 299100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299100 0 0 0 0 0 0 0 0 0 TIMING: 299100 CPU: 1191.89, 0.00397489/step Wall: 1191.89, 0.0039749/step, 0.221822 hours remaining, 109.511719 MB of memory in use. ENERGY: 299100 627.3537 1945.5699 2063.7278 102.3006 -15.0474 -1070.9732 163.5127 0.0000 2700.3076 6516.7516 298.2565 3816.4441 6548.6642 302.4914 PRESSURE: 299200 0 0 0 0 0 0 0 0 0 GPRESSURE: 299200 0 0 0 0 0 0 0 0 0 PRESSAVG: 299200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299200 0 0 0 0 0 0 0 0 0 TIMING: 299200 CPU: 1192.29, 0.00398495/step Wall: 1192.29, 0.00398495/step, 0.222272 hours remaining, 109.511719 MB of memory in use. ENERGY: 299200 683.4394 1924.7817 2028.7130 91.9698 -15.2062 -1078.6615 160.8562 0.0000 2740.8203 6536.7127 302.7312 3795.8924 6570.7546 302.5232 PRESSURE: 299300 0 0 0 0 0 0 0 0 0 GPRESSURE: 299300 0 0 0 0 0 0 0 0 0 PRESSAVG: 299300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299300 0 0 0 0 0 0 0 0 0 TIMING: 299300 CPU: 1192.68, 0.00397537/step Wall: 1192.68, 0.00397537/step, 0.221627 hours remaining, 109.511719 MB of memory in use. ENERGY: 299300 634.1728 1922.7977 2027.7514 102.5654 -14.5846 -1065.8340 167.8927 0.0000 2789.3474 6564.1087 308.0912 3774.7613 6599.9806 302.7069 PRESSURE: 299400 0 0 0 0 0 0 0 0 0 GPRESSURE: 299400 0 0 0 0 0 0 0 0 0 PRESSAVG: 299400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299400 0 0 0 0 0 0 0 0 0 TIMING: 299400 CPU: 1193.08, 0.00398422/step Wall: 1193.08, 0.00398422/step, 0.22201 hours remaining, 109.511719 MB of memory in use. ENERGY: 299400 658.0369 1964.5076 2033.9852 100.5719 -14.1257 -1074.4594 160.8081 0.0000 2763.9466 6593.2711 305.2856 3829.3245 6626.6772 305.8976 PRESSURE: 299500 0 0 0 0 0 0 0 0 0 GPRESSURE: 299500 0 0 0 0 0 0 0 0 0 PRESSAVG: 299500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299500 0 0 0 0 0 0 0 0 0 TIMING: 299500 CPU: 1193.48, 0.00397675/step Wall: 1193.48, 0.00397675/step, 0.221483 hours remaining, 109.511719 MB of memory in use. ENERGY: 299500 681.9255 1861.5677 2033.8734 114.0455 -15.0854 -1048.8273 170.6142 0.0000 2763.5775 6561.6910 305.2448 3798.1136 6596.5455 306.9170 PRESSURE: 299600 0 0 0 0 0 0 0 0 0 GPRESSURE: 299600 0 0 0 0 0 0 0 0 0 PRESSAVG: 299600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299600 0 0 0 0 0 0 0 0 0 TIMING: 299600 CPU: 1193.88, 0.0039752/step Wall: 1193.88, 0.0039752/step, 0.221286 hours remaining, 109.511719 MB of memory in use. ENERGY: 299600 669.5513 1905.7712 2025.2558 101.1461 -15.2416 -1069.5294 176.9897 0.0000 2755.7473 6549.6903 304.3800 3793.9430 6582.6175 303.5079 PRESSURE: 299700 0 0 0 0 0 0 0 0 0 GPRESSURE: 299700 0 0 0 0 0 0 0 0 0 PRESSAVG: 299700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299700 0 0 0 0 0 0 0 0 0 TIMING: 299700 CPU: 1194.28, 0.00398597/step Wall: 1194.28, 0.00398597/step, 0.221775 hours remaining, 109.511719 MB of memory in use. ENERGY: 299700 663.2386 1883.3963 2037.3312 111.1856 -15.6368 -1048.1624 182.0753 0.0000 2774.2220 6587.6498 306.4206 3813.4278 6622.2893 306.0524 PRESSURE: 299800 0 0 0 0 0 0 0 0 0 GPRESSURE: 299800 0 0 0 0 0 0 0 0 0 PRESSAVG: 299800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299800 0 0 0 0 0 0 0 0 0 TIMING: 299800 CPU: 1194.67, 0.00397657/step Wall: 1194.67, 0.00397657/step, 0.221141 hours remaining, 109.511719 MB of memory in use. ENERGY: 299800 661.6745 1974.7865 2002.5373 98.3765 -14.6620 -1044.0609 158.6198 0.0000 2757.8052 6595.0769 304.6073 3837.2716 6627.5396 305.0962 PRESSURE: 299900 0 0 0 0 0 0 0 0 0 GPRESSURE: 299900 0 0 0 0 0 0 0 0 0 PRESSAVG: 299900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 299900 0 0 0 0 0 0 0 0 0 TIMING: 299900 CPU: 1195.07, 0.00398569/step Wall: 1195.07, 0.00398569/step, 0.221538 hours remaining, 109.511719 MB of memory in use. ENERGY: 299900 643.6484 1922.2646 2048.1187 100.6341 -14.5751 -1044.8044 163.4485 0.0000 2784.7988 6603.5336 307.5888 3818.7348 6637.9032 306.7574 PRESSURE: 300000 0 0 0 0 0 0 0 0 0 GPRESSURE: 300000 0 0 0 0 0 0 0 0 0 PRESSAVG: 300000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300000 0 0 0 0 0 0 0 0 0 TIMING: 300000 CPU: 1195.47, 0.00397857/step Wall: 1195.47, 0.00397857/step, 0.221032 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 300000 650.1937 1937.1460 2035.6012 107.8721 -14.4267 -1062.8982 160.6492 0.0000 2774.8663 6589.0036 306.4917 3814.1373 6623.3267 306.6267 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 300100 0 0 0 0 0 0 0 0 0 GPRESSURE: 300100 0 0 0 0 0 0 0 0 0 PRESSAVG: 300100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300100 0 0 0 0 0 0 0 0 0 TIMING: 300100 CPU: 1195.9, 0.0043139/step Wall: 1195.9, 0.0043139/step, 0.239541 hours remaining, 109.511719 MB of memory in use. ENERGY: 300100 653.4442 1935.0431 2002.1903 100.5635 -14.6967 -1022.2391 172.4462 0.0000 2758.5969 6585.3485 304.6947 3826.7516 6615.7033 306.5283 PRESSURE: 300200 0 0 0 0 0 0 0 0 0 GPRESSURE: 300200 0 0 0 0 0 0 0 0 0 PRESSAVG: 300200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300200 0 0 0 0 0 0 0 0 0 TIMING: 300200 CPU: 1196.3, 0.00398659/step Wall: 1196.3, 0.00398659/step, 0.221256 hours remaining, 109.511719 MB of memory in use. ENERGY: 300200 630.0431 1907.8814 2053.5440 129.4677 -14.5123 -995.6974 148.8413 0.0000 2744.3995 6603.9674 303.1266 3859.5679 6635.5492 305.6312 LDB: ============= START OF LOAD BALANCING ============== 1199.07 LDB: ============== END OF LOAD BALANCING =============== 1199.07 LDB: =============== DONE WITH MIGRATION ================ 1199.07 PRESSURE: 300300 0 0 0 0 0 0 0 0 0 GPRESSURE: 300300 0 0 0 0 0 0 0 0 0 PRESSAVG: 300300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300300 0 0 0 0 0 0 0 0 0 TIMING: 300300 CPU: 1196.7, 0.00397932/step Wall: 1196.7, 0.00397932/step, 0.220742 hours remaining, 109.511719 MB of memory in use. ENERGY: 300300 650.4573 1921.6820 2024.2011 107.7906 -15.4050 -1054.5379 143.2172 0.0000 2799.3392 6576.7446 309.1948 3777.4054 6611.4543 307.0603 LDB: ============= START OF LOAD BALANCING ============== 1199.47 LDB: ============== END OF LOAD BALANCING =============== 1199.47 LDB: =============== DONE WITH MIGRATION ================ 1199.47 PRESSURE: 300400 0 0 0 0 0 0 0 0 0 GPRESSURE: 300400 0 0 0 0 0 0 0 0 0 PRESSAVG: 300400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300400 0 0 0 0 0 0 0 0 0 TIMING: 300400 CPU: 1197.1, 0.00399242/step Wall: 1197.1, 0.00399242/step, 0.221357 hours remaining, 109.511719 MB of memory in use. ENERGY: 300400 622.5977 1937.5377 2031.0448 118.4371 -13.9149 -1062.0359 165.4292 0.0000 2782.9242 6582.0198 307.3817 3799.0956 6618.2958 304.7262 PRESSURE: 300500 0 0 0 0 0 0 0 0 0 GPRESSURE: 300500 0 0 0 0 0 0 0 0 0 PRESSAVG: 300500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300500 0 0 0 0 0 0 0 0 0 TIMING: 300500 CPU: 1197.49, 0.00397694/step Wall: 1197.49, 0.00397694/step, 0.220389 hours remaining, 109.511719 MB of memory in use. ENERGY: 300500 631.2465 1866.4933 1991.5906 109.0357 -14.3525 -1021.9577 160.3110 0.0000 2823.0881 6545.4550 311.8179 3722.3668 6583.6500 304.7758 PRESSURE: 300600 0 0 0 0 0 0 0 0 0 GPRESSURE: 300600 0 0 0 0 0 0 0 0 0 PRESSAVG: 300600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300600 0 0 0 0 0 0 0 0 0 TIMING: 300600 CPU: 1197.89, 0.00397465/step Wall: 1197.89, 0.00397465/step, 0.220151 hours remaining, 109.511719 MB of memory in use. ENERGY: 300600 634.3691 1852.3386 2039.4039 104.0438 -13.2355 -1040.8595 158.6132 0.0000 2805.9333 6540.6068 309.9232 3734.6735 6576.4430 304.0612 PRESSURE: 300700 0 0 0 0 0 0 0 0 0 GPRESSURE: 300700 0 0 0 0 0 0 0 0 0 PRESSAVG: 300700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300700 0 0 0 0 0 0 0 0 0 TIMING: 300700 CPU: 1198.29, 0.00398602/step Wall: 1198.29, 0.00398602/step, 0.220671 hours remaining, 109.511719 MB of memory in use. ENERGY: 300700 679.8627 1877.9635 2035.4997 115.0111 -13.6747 -1039.9798 174.7177 0.0000 2704.7976 6534.1978 298.7524 3829.4002 6568.5964 303.9959 PRESSURE: 300800 0 0 0 0 0 0 0 0 0 GPRESSURE: 300800 0 0 0 0 0 0 0 0 0 PRESSAVG: 300800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300800 0 0 0 0 0 0 0 0 0 TIMING: 300800 CPU: 1198.69, 0.00397248/step Wall: 1198.69, 0.00397248/step, 0.21981 hours remaining, 109.511719 MB of memory in use. ENERGY: 300800 631.5430 1937.9588 2041.2541 99.8909 -14.9503 -1056.0106 160.5988 0.0000 2725.0626 6525.3475 300.9908 3800.2849 6556.1457 301.2801 PRESSURE: 300900 0 0 0 0 0 0 0 0 0 GPRESSURE: 300900 0 0 0 0 0 0 0 0 0 PRESSAVG: 300900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 300900 0 0 0 0 0 0 0 0 0 TIMING: 300900 CPU: 1199.09, 0.00398389/step Wall: 1199.09, 0.00398388/step, 0.220331 hours remaining, 109.511719 MB of memory in use. ENERGY: 300900 661.8098 1892.1156 2015.1611 111.0610 -14.0685 -1044.8371 152.7417 0.0000 2739.0462 6513.0296 302.5353 3773.9834 6545.4084 301.4818 PRESSURE: 301000 0 0 0 0 0 0 0 0 0 GPRESSURE: 301000 0 0 0 0 0 0 0 0 0 PRESSAVG: 301000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301000 0 0 0 0 0 0 0 0 0 TIMING: 301000 CPU: 1199.48, 0.00397259/step Wall: 1199.48, 0.0039726/step, 0.219596 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 301000 718.1101 1852.4308 2053.7789 117.0500 -15.2561 -1096.0964 175.1096 0.0000 2710.4045 6515.5315 299.3717 3805.1269 6548.2599 301.3647 PRESSURE: 301100 0 0 0 0 0 0 0 0 0 GPRESSURE: 301100 0 0 0 0 0 0 0 0 0 PRESSAVG: 301100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301100 0 0 0 0 0 0 0 0 0 TIMING: 301100 CPU: 1199.88, 0.00397467/step Wall: 1199.88, 0.00397467/step, 0.2196 hours remaining, 109.511719 MB of memory in use. ENERGY: 301100 657.7983 1862.0958 2034.3725 113.1125 -14.1949 -1067.7935 156.6678 0.0000 2765.3121 6507.3706 305.4364 3742.0585 6538.7187 301.9769 PRESSURE: 301200 0 0 0 0 0 0 0 0 0 GPRESSURE: 301200 0 0 0 0 0 0 0 0 0 PRESSAVG: 301200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301200 0 0 0 0 0 0 0 0 0 TIMING: 301200 CPU: 1200.28, 0.00398776/step Wall: 1200.28, 0.00398776/step, 0.220213 hours remaining, 109.511719 MB of memory in use. ENERGY: 301200 668.4030 1884.0315 2025.6805 104.1920 -15.4923 -1045.0788 171.5803 0.0000 2699.6466 6492.9629 298.1835 3793.3163 6525.8651 302.8856 PRESSURE: 301300 0 0 0 0 0 0 0 0 0 GPRESSURE: 301300 0 0 0 0 0 0 0 0 0 PRESSAVG: 301300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301300 0 0 0 0 0 0 0 0 0 TIMING: 301300 CPU: 1200.68, 0.00397315/step Wall: 1200.68, 0.00397315/step, 0.219296 hours remaining, 109.511719 MB of memory in use. ENERGY: 301300 648.4410 1879.0118 2001.0907 92.7521 -14.0272 -1025.8895 157.5320 0.0000 2723.7152 6462.6262 300.8419 3738.9111 6498.4512 299.6992 PRESSURE: 301400 0 0 0 0 0 0 0 0 0 GPRESSURE: 301400 0 0 0 0 0 0 0 0 0 PRESSAVG: 301400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301400 0 0 0 0 0 0 0 0 0 TIMING: 301400 CPU: 1201.08, 0.00398601/step Wall: 1201.08, 0.00398601/step, 0.219895 hours remaining, 109.511719 MB of memory in use. ENERGY: 301400 666.0882 1898.3598 2021.4143 103.5003 -14.0168 -1072.8745 174.7791 0.0000 2697.5359 6474.7864 297.9504 3777.2504 6509.4672 298.8246 PRESSURE: 301500 0 0 0 0 0 0 0 0 0 GPRESSURE: 301500 0 0 0 0 0 0 0 0 0 PRESSAVG: 301500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301500 0 0 0 0 0 0 0 0 0 TIMING: 301500 CPU: 1201.47, 0.00397795/step Wall: 1201.47, 0.00397795/step, 0.21934 hours remaining, 109.511719 MB of memory in use. ENERGY: 301500 613.6086 1910.3015 2027.6357 107.3742 -14.0863 -1025.9041 155.3329 0.0000 2734.4523 6508.7148 302.0279 3774.2626 6542.4314 300.1766 PRESSURE: 301600 0 0 0 0 0 0 0 0 0 GPRESSURE: 301600 0 0 0 0 0 0 0 0 0 PRESSAVG: 301600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301600 0 0 0 0 0 0 0 0 0 TIMING: 301600 CPU: 1201.87, 0.00397182/step Wall: 1201.87, 0.00397182/step, 0.218891 hours remaining, 109.511719 MB of memory in use. ENERGY: 301600 648.9304 1900.7439 2020.0061 99.4598 -14.6004 -1045.8870 160.8056 0.0000 2728.7714 6498.2299 301.4004 3769.4585 6532.3323 301.6232 PRESSURE: 301700 0 0 0 0 0 0 0 0 0 GPRESSURE: 301700 0 0 0 0 0 0 0 0 0 PRESSAVG: 301700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301700 0 0 0 0 0 0 0 0 0 TIMING: 301700 CPU: 1202.27, 0.0039864/step Wall: 1202.27, 0.0039864/step, 0.219584 hours remaining, 109.511719 MB of memory in use. ENERGY: 301700 654.5752 1864.9512 2019.7140 101.3105 -14.9706 -1038.6779 167.8147 0.0000 2737.2912 6492.0083 302.3414 3754.7171 6524.3937 301.3706 PRESSURE: 301800 0 0 0 0 0 0 0 0 0 GPRESSURE: 301800 0 0 0 0 0 0 0 0 0 PRESSAVG: 301800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301800 0 0 0 0 0 0 0 0 0 TIMING: 301800 CPU: 1202.67, 0.00397431/step Wall: 1202.67, 0.00397431/step, 0.218808 hours remaining, 109.511719 MB of memory in use. ENERGY: 301800 642.0276 1890.6928 2036.9176 105.3934 -15.0236 -1072.5294 179.4290 0.0000 2769.6342 6536.5416 305.9138 3766.9074 6571.8401 302.2087 PRESSURE: 301900 0 0 0 0 0 0 0 0 0 GPRESSURE: 301900 0 0 0 0 0 0 0 0 0 PRESSAVG: 301900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 301900 0 0 0 0 0 0 0 0 0 TIMING: 301900 CPU: 1203.06, 0.00398717/step Wall: 1203.06, 0.00398717/step, 0.219405 hours remaining, 109.511719 MB of memory in use. ENERGY: 301900 672.6019 1872.2632 2018.6997 103.5678 -15.6925 -1023.8875 171.7214 0.0000 2709.3634 6508.6374 299.2567 3799.2740 6542.2841 302.5961 PRESSURE: 302000 0 0 0 0 0 0 0 0 0 GPRESSURE: 302000 0 0 0 0 0 0 0 0 0 PRESSAVG: 302000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302000 0 0 0 0 0 0 0 0 0 TIMING: 302000 CPU: 1203.46, 0.00397624/step Wall: 1203.46, 0.00397623/step, 0.218693 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 302000 691.4710 1872.3290 1997.2903 110.3974 -14.7247 -1052.9390 172.6671 0.0000 2735.9556 6512.4467 302.1939 3776.4911 6546.3199 299.9409 PRESSURE: 302100 0 0 0 0 0 0 0 0 0 GPRESSURE: 302100 0 0 0 0 0 0 0 0 0 PRESSAVG: 302100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302100 0 0 0 0 0 0 0 0 0 TIMING: 302100 CPU: 1203.86, 0.00397263/step Wall: 1203.86, 0.00397264/step, 0.218385 hours remaining, 109.511719 MB of memory in use. ENERGY: 302100 638.7081 1925.7489 2000.9647 114.9207 -14.3403 -1064.9216 167.3373 0.0000 2729.3433 6497.7612 301.4636 3768.4180 6532.9619 300.9665 PRESSURE: 302200 0 0 0 0 0 0 0 0 0 GPRESSURE: 302200 0 0 0 0 0 0 0 0 0 PRESSAVG: 302200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302200 0 0 0 0 0 0 0 0 0 TIMING: 302200 CPU: 1204.26, 0.00398503/step Wall: 1204.26, 0.00398503/step, 0.218955 hours remaining, 109.511719 MB of memory in use. ENERGY: 302200 643.6084 1918.9668 2021.1476 111.4307 -15.0030 -1059.2566 170.2443 0.0000 2693.3124 6484.4506 297.4839 3791.1383 6513.2046 300.8420 PRESSURE: 302300 0 0 0 0 0 0 0 0 0 GPRESSURE: 302300 0 0 0 0 0 0 0 0 0 PRESSAVG: 302300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302300 0 0 0 0 0 0 0 0 0 TIMING: 302300 CPU: 1204.66, 0.00397474/step Wall: 1204.66, 0.00397474/step, 0.218279 hours remaining, 109.511719 MB of memory in use. ENERGY: 302300 666.5915 1888.1196 2035.3990 106.3470 -13.6468 -1036.4241 165.3980 0.0000 2697.4313 6509.2156 297.9388 3811.7842 6539.2816 300.7290 PRESSURE: 302400 0 0 0 0 0 0 0 0 0 GPRESSURE: 302400 0 0 0 0 0 0 0 0 0 PRESSAVG: 302400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302400 0 0 0 0 0 0 0 0 0 TIMING: 302400 CPU: 1205.05, 0.00398701/step Wall: 1205.05, 0.00398701/step, 0.218843 hours remaining, 109.511719 MB of memory in use. ENERGY: 302400 643.8440 1904.9723 2004.8857 96.0826 -15.5561 -1028.9479 145.8666 0.0000 2765.1746 6516.3217 305.4212 3751.1471 6550.8380 301.8004 PRESSURE: 302500 0 0 0 0 0 0 0 0 0 GPRESSURE: 302500 0 0 0 0 0 0 0 0 0 PRESSAVG: 302500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302500 0 0 0 0 0 0 0 0 0 TIMING: 302500 CPU: 1205.45, 0.00397494/step Wall: 1205.45, 0.00397494/step, 0.21807 hours remaining, 109.511719 MB of memory in use. ENERGY: 302500 650.2538 1904.6745 2035.3766 106.3322 -14.1621 -1064.1106 164.4553 0.0000 2715.5220 6498.3418 299.9370 3782.8198 6531.0095 302.1528 PRESSURE: 302600 0 0 0 0 0 0 0 0 0 GPRESSURE: 302600 0 0 0 0 0 0 0 0 0 PRESSAVG: 302600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302600 0 0 0 0 0 0 0 0 0 TIMING: 302600 CPU: 1205.85, 0.00397549/step Wall: 1205.85, 0.00397549/step, 0.217989 hours remaining, 109.511719 MB of memory in use. ENERGY: 302600 633.6151 1925.3628 2002.8221 104.2586 -14.5813 -1056.3729 167.2107 0.0000 2719.7116 6482.0268 300.3997 3762.3152 6515.7900 299.9292 PRESSURE: 302700 0 0 0 0 0 0 0 0 0 GPRESSURE: 302700 0 0 0 0 0 0 0 0 0 PRESSAVG: 302700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302700 0 0 0 0 0 0 0 0 0 TIMING: 302700 CPU: 1206.25, 0.00398464/step Wall: 1206.25, 0.00398464/step, 0.21838 hours remaining, 109.511719 MB of memory in use. ENERGY: 302700 649.7773 1936.7018 2047.8830 104.7342 -14.1302 -1051.6882 171.8149 0.0000 2686.8623 6531.9550 296.7714 3845.0927 6564.7723 300.9692 PRESSURE: 302800 0 0 0 0 0 0 0 0 0 GPRESSURE: 302800 0 0 0 0 0 0 0 0 0 PRESSAVG: 302800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302800 0 0 0 0 0 0 0 0 0 TIMING: 302800 CPU: 1206.65, 0.00397575/step Wall: 1206.65, 0.00397575/step, 0.217783 hours remaining, 109.511719 MB of memory in use. ENERGY: 302800 663.1855 1880.2496 2018.6776 110.1774 -14.0824 -1025.3428 150.7635 0.0000 2720.9760 6504.6044 300.5394 3783.6284 6538.3753 301.3246 PRESSURE: 302900 0 0 0 0 0 0 0 0 0 GPRESSURE: 302900 0 0 0 0 0 0 0 0 0 PRESSAVG: 302900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 302900 0 0 0 0 0 0 0 0 0 TIMING: 302900 CPU: 1207.04, 0.0039862/step Wall: 1207.04, 0.0039862/step, 0.218245 hours remaining, 109.511719 MB of memory in use. ENERGY: 302900 672.8895 1917.7261 2021.6505 105.2990 -14.5540 -1058.9561 159.3412 0.0000 2684.9242 6488.3204 296.5574 3803.3962 6520.1248 301.4141 PRESSURE: 303000 0 0 0 0 0 0 0 0 0 GPRESSURE: 303000 0 0 0 0 0 0 0 0 0 PRESSAVG: 303000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303000 0 0 0 0 0 0 0 0 0 TIMING: 303000 CPU: 1207.44, 0.00397786/step Wall: 1207.44, 0.00397786/step, 0.217677 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 303000 689.5773 1890.9596 2020.4031 97.1585 -15.2779 -1022.1289 167.7329 0.0000 2646.8153 6475.2398 292.3481 3828.4244 6508.4269 300.0116 PRESSURE: 303100 0 0 0 0 0 0 0 0 0 GPRESSURE: 303100 0 0 0 0 0 0 0 0 0 PRESSAVG: 303100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303100 0 0 0 0 0 0 0 0 0 TIMING: 303100 CPU: 1207.84, 0.00397315/step Wall: 1207.84, 0.00397315/step, 0.217309 hours remaining, 109.511719 MB of memory in use. ENERGY: 303100 642.4344 1911.7703 1983.0344 82.2116 -15.7938 -1049.2041 158.4735 0.0000 2748.0109 6460.9371 303.5255 3712.9261 6494.7419 298.6906 PRESSURE: 303200 0 0 0 0 0 0 0 0 0 GPRESSURE: 303200 0 0 0 0 0 0 0 0 0 PRESSAVG: 303200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303200 0 0 0 0 0 0 0 0 0 TIMING: 303200 CPU: 1208.24, 0.00398585/step Wall: 1208.24, 0.00398585/step, 0.217893 hours remaining, 109.511719 MB of memory in use. ENERGY: 303200 669.1372 1834.2458 1979.3409 90.9763 -15.0986 -1044.3597 149.6162 0.0000 2751.4817 6415.3398 303.9088 3663.8581 6452.6808 298.2194 PRESSURE: 303300 0 0 0 0 0 0 0 0 0 GPRESSURE: 303300 0 0 0 0 0 0 0 0 0 PRESSAVG: 303300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303300 0 0 0 0 0 0 0 0 0 TIMING: 303300 CPU: 1208.64, 0.00397604/step Wall: 1208.64, 0.00397604/step, 0.217246 hours remaining, 109.511719 MB of memory in use. ENERGY: 303300 674.1654 1902.5428 2003.2040 108.4730 -13.6469 -1047.4667 170.9499 0.0000 2676.2977 6474.5192 295.6045 3798.2215 6507.7287 297.9040 PRESSURE: 303400 0 0 0 0 0 0 0 0 0 GPRESSURE: 303400 0 0 0 0 0 0 0 0 0 PRESSAVG: 303400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303400 0 0 0 0 0 0 0 0 0 TIMING: 303400 CPU: 1209.03, 0.00398333/step Wall: 1209.03, 0.00398333/step, 0.217534 hours remaining, 109.511719 MB of memory in use. ENERGY: 303400 641.0274 1884.1572 2013.9012 103.1147 -14.6932 -1044.3267 164.7151 0.0000 2691.6384 6439.5341 297.2990 3747.8958 6472.4755 298.7113 PRESSURE: 303500 0 0 0 0 0 0 0 0 0 GPRESSURE: 303500 0 0 0 0 0 0 0 0 0 PRESSAVG: 303500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303500 0 0 0 0 0 0 0 0 0 TIMING: 303500 CPU: 1209.43, 0.00397448/step Wall: 1209.43, 0.00397448/step, 0.21694 hours remaining, 109.511719 MB of memory in use. ENERGY: 303500 660.7363 1862.6240 1982.8859 106.6261 -13.7678 -1033.1075 157.9847 0.0000 2702.6440 6426.6258 298.5146 3723.9818 6462.0778 298.5502 PRESSURE: 303600 0 0 0 0 0 0 0 0 0 GPRESSURE: 303600 0 0 0 0 0 0 0 0 0 PRESSAVG: 303600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303600 0 0 0 0 0 0 0 0 0 TIMING: 303600 CPU: 1209.83, 0.00397475/step Wall: 1209.83, 0.00397475/step, 0.216845 hours remaining, 109.511719 MB of memory in use. ENERGY: 303600 666.8935 1892.9067 2022.2741 94.6536 -14.4740 -1067.1953 154.7881 0.0000 2686.7781 6436.6248 296.7621 3749.8467 6465.8441 297.9384 PRESSURE: 303700 0 0 0 0 0 0 0 0 0 GPRESSURE: 303700 0 0 0 0 0 0 0 0 0 PRESSAVG: 303700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303700 0 0 0 0 0 0 0 0 0 TIMING: 303700 CPU: 1210.23, 0.00398269/step Wall: 1210.23, 0.00398269/step, 0.217167 hours remaining, 109.511719 MB of memory in use. ENERGY: 303700 660.2079 1926.9773 2012.6581 100.9439 -13.7862 -1078.7504 163.1176 0.0000 2663.8088 6435.1769 294.2251 3771.3681 6466.6709 298.2097 PRESSURE: 303800 0 0 0 0 0 0 0 0 0 GPRESSURE: 303800 0 0 0 0 0 0 0 0 0 PRESSAVG: 303800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303800 0 0 0 0 0 0 0 0 0 TIMING: 303800 CPU: 1210.62, 0.00397816/step Wall: 1210.62, 0.00397816/step, 0.21681 hours remaining, 109.511719 MB of memory in use. ENERGY: 303800 667.3573 1906.4586 1995.9640 105.2784 -15.7390 -1076.5941 153.7005 0.0000 2701.1859 6437.6116 298.3535 3736.4257 6472.3895 297.5271 PRESSURE: 303900 0 0 0 0 0 0 0 0 0 GPRESSURE: 303900 0 0 0 0 0 0 0 0 0 PRESSAVG: 303900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 303900 0 0 0 0 0 0 0 0 0 TIMING: 303900 CPU: 1211.02, 0.00397457/step Wall: 1211.02, 0.00397456/step, 0.216503 hours remaining, 109.511719 MB of memory in use. ENERGY: 303900 637.2613 1912.5534 2010.4687 111.7556 -14.5917 -1034.4810 158.3519 0.0000 2681.5460 6462.8642 296.1842 3781.3181 6494.2386 296.6203 PRESSURE: 304000 0 0 0 0 0 0 0 0 0 GPRESSURE: 304000 0 0 0 0 0 0 0 0 0 PRESSAVG: 304000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304000 0 0 0 0 0 0 0 0 0 TIMING: 304000 CPU: 1211.42, 0.00401874/step Wall: 1211.42, 0.00401875/step, 0.218799 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 304000 669.1703 1871.1788 2014.9333 96.5291 -14.0779 -1030.9082 161.8602 0.0000 2733.3799 6502.0656 301.9094 3768.6857 6536.5869 300.6012 PRESSURE: 304100 0 0 0 0 0 0 0 0 0 GPRESSURE: 304100 0 0 0 0 0 0 0 0 0 PRESSAVG: 304100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304100 0 0 0 0 0 0 0 0 0 TIMING: 304100 CPU: 1211.82, 0.00397716/step Wall: 1211.82, 0.00397716/step, 0.216424 hours remaining, 109.511719 MB of memory in use. ENERGY: 304100 638.4415 1906.0667 2005.6053 85.9039 -15.1594 -1068.8581 160.0215 0.0000 2747.8313 6459.8527 303.5056 3712.0214 6494.9981 300.3560 PRESSURE: 304200 0 0 0 0 0 0 0 0 0 GPRESSURE: 304200 0 0 0 0 0 0 0 0 0 PRESSAVG: 304200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304200 0 0 0 0 0 0 0 0 0 TIMING: 304200 CPU: 1212.22, 0.00398921/step Wall: 1212.22, 0.00398921/step, 0.216969 hours remaining, 109.511719 MB of memory in use. ENERGY: 304200 686.6781 1837.6765 2015.1559 117.3780 -14.7653 -1057.1985 168.1422 0.0000 2751.9127 6504.9796 303.9564 3753.0669 6537.6609 300.9652 LDB: ============= START OF LOAD BALANCING ============== 1215 LDB: ============== END OF LOAD BALANCING =============== 1215 LDB: =============== DONE WITH MIGRATION ================ 1215 PRESSURE: 304300 0 0 0 0 0 0 0 0 0 GPRESSURE: 304300 0 0 0 0 0 0 0 0 0 PRESSAVG: 304300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304300 0 0 0 0 0 0 0 0 0 TIMING: 304300 CPU: 1212.62, 0.00398193/step Wall: 1212.62, 0.00398193/step, 0.216462 hours remaining, 109.511719 MB of memory in use. ENERGY: 304300 650.8315 1915.6929 2032.2679 100.3085 -14.1702 -1057.3810 162.1273 0.0000 2706.9914 6496.6682 298.9947 3789.6768 6528.8401 302.0546 LDB: ============= START OF LOAD BALANCING ============== 1215.39 LDB: ============== END OF LOAD BALANCING =============== 1215.39 LDB: =============== DONE WITH MIGRATION ================ 1215.4 PRESSURE: 304400 0 0 0 0 0 0 0 0 0 GPRESSURE: 304400 0 0 0 0 0 0 0 0 0 PRESSAVG: 304400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304400 0 0 0 0 0 0 0 0 0 TIMING: 304400 CPU: 1213.02, 0.0039843/step Wall: 1213.02, 0.0039843/step, 0.21648 hours remaining, 109.511719 MB of memory in use. ENERGY: 304400 634.5253 1917.0715 2011.6471 112.7522 -14.6630 -1050.1690 159.6986 0.0000 2690.8895 6461.7522 297.2162 3770.8627 6495.0536 300.4841 PRESSURE: 304500 0 0 0 0 0 0 0 0 0 GPRESSURE: 304500 0 0 0 0 0 0 0 0 0 PRESSAVG: 304500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304500 0 0 0 0 0 0 0 0 0 TIMING: 304500 CPU: 1213.42, 0.00398866/step Wall: 1213.42, 0.00398866/step, 0.216606 hours remaining, 109.511719 MB of memory in use. ENERGY: 304500 640.7759 1944.8265 2027.3128 94.7353 -14.3740 -1068.3765 149.6713 0.0000 2706.7190 6481.2902 298.9646 3774.5712 6515.2619 299.0108 PRESSURE: 304600 0 0 0 0 0 0 0 0 0 GPRESSURE: 304600 0 0 0 0 0 0 0 0 0 PRESSAVG: 304600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304600 0 0 0 0 0 0 0 0 0 TIMING: 304600 CPU: 1213.81, 0.00397241/step Wall: 1213.81, 0.00397241/step, 0.215614 hours remaining, 109.511719 MB of memory in use. ENERGY: 304600 671.7932 1944.6218 2012.8354 108.2903 -14.2461 -1087.3602 174.0155 0.0000 2661.8507 6471.8007 294.0088 3809.9500 6504.1947 300.1393 PRESSURE: 304700 0 0 0 0 0 0 0 0 0 GPRESSURE: 304700 0 0 0 0 0 0 0 0 0 PRESSAVG: 304700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304700 0 0 0 0 0 0 0 0 0 TIMING: 304700 CPU: 1214.21, 0.0039833/step Wall: 1214.21, 0.0039833/step, 0.216094 hours remaining, 109.511719 MB of memory in use. ENERGY: 304700 623.4196 1902.1956 2006.3398 106.2276 -15.6450 -1066.6737 150.2437 0.0000 2746.6917 6452.7993 303.3797 3706.1076 6485.1132 298.8614 PRESSURE: 304800 0 0 0 0 0 0 0 0 0 GPRESSURE: 304800 0 0 0 0 0 0 0 0 0 PRESSAVG: 304800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304800 0 0 0 0 0 0 0 0 0 TIMING: 304800 CPU: 1214.61, 0.00397524/step Wall: 1214.61, 0.00397524/step, 0.215546 hours remaining, 109.511719 MB of memory in use. ENERGY: 304800 636.3994 1917.4774 2003.0959 115.7348 -15.1047 -1050.0353 159.2445 0.0000 2731.5771 6498.3892 301.7103 3766.8121 6532.4352 301.4071 PRESSURE: 304900 0 0 0 0 0 0 0 0 0 GPRESSURE: 304900 0 0 0 0 0 0 0 0 0 PRESSAVG: 304900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 304900 0 0 0 0 0 0 0 0 0 TIMING: 304900 CPU: 1215.01, 0.00397461/step Wall: 1215.01, 0.00397461/step, 0.215402 hours remaining, 109.511719 MB of memory in use. ENERGY: 304900 671.9862 1851.0543 2006.8872 118.6039 -14.1180 -1043.1016 164.2704 0.0000 2751.2369 6506.8193 303.8818 3755.5824 6542.0494 301.4108 PRESSURE: 305000 0 0 0 0 0 0 0 0 0 GPRESSURE: 305000 0 0 0 0 0 0 0 0 0 PRESSAVG: 305000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305000 0 0 0 0 0 0 0 0 0 TIMING: 305000 CPU: 1215.41, 0.00398795/step Wall: 1215.41, 0.00398795/step, 0.216014 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 305000 665.4537 1904.9422 1994.9877 105.8482 -14.7189 -1048.5271 152.5385 0.0000 2707.9313 6468.4557 299.0986 3760.5245 6500.7764 300.6488 PRESSURE: 305100 0 0 0 0 0 0 0 0 0 GPRESSURE: 305100 0 0 0 0 0 0 0 0 0 PRESSAVG: 305100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305100 0 0 0 0 0 0 0 0 0 TIMING: 305100 CPU: 1215.8, 0.00397373/step Wall: 1215.8, 0.00397373/step, 0.215133 hours remaining, 109.511719 MB of memory in use. ENERGY: 305100 666.2467 1934.2904 1994.7720 109.4672 -15.2200 -1085.5487 162.4798 0.0000 2743.4263 6509.9138 303.0191 3766.4874 6545.5638 301.0117 PRESSURE: 305200 0 0 0 0 0 0 0 0 0 GPRESSURE: 305200 0 0 0 0 0 0 0 0 0 PRESSAVG: 305200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305200 0 0 0 0 0 0 0 0 0 TIMING: 305200 CPU: 1216.2, 0.00398454/step Wall: 1216.2, 0.00398454/step, 0.215608 hours remaining, 109.511719 MB of memory in use. ENERGY: 305200 637.9507 1873.3519 2010.3343 115.3074 -14.7676 -1061.4483 158.2769 0.0000 2748.2632 6467.2685 303.5533 3719.0053 6503.5561 302.2544 PRESSURE: 305300 0 0 0 0 0 0 0 0 0 GPRESSURE: 305300 0 0 0 0 0 0 0 0 0 PRESSAVG: 305300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305300 0 0 0 0 0 0 0 0 0 TIMING: 305300 CPU: 1216.6, 0.00397431/step Wall: 1216.6, 0.00397431/step, 0.214944 hours remaining, 109.511719 MB of memory in use. ENERGY: 305300 666.8895 1838.3509 1988.6047 114.6588 -14.9166 -1048.4167 163.5102 0.0000 2766.5658 6475.2466 305.5749 3708.6808 6509.4314 300.7094 PRESSURE: 305400 0 0 0 0 0 0 0 0 0 GPRESSURE: 305400 0 0 0 0 0 0 0 0 0 PRESSAVG: 305400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305400 0 0 0 0 0 0 0 0 0 TIMING: 305400 CPU: 1217, 0.00397405/step Wall: 1217, 0.00397405/step, 0.21482 hours remaining, 109.511719 MB of memory in use. ENERGY: 305400 654.1966 1883.6520 1995.9681 113.2420 -13.9551 -1068.8824 169.1709 0.0000 2799.0915 6532.4836 309.1675 3733.3921 6568.3506 301.6170 PRESSURE: 305500 0 0 0 0 0 0 0 0 0 GPRESSURE: 305500 0 0 0 0 0 0 0 0 0 PRESSAVG: 305500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305500 0 0 0 0 0 0 0 0 0 TIMING: 305500 CPU: 1217.39, 0.00398618/step Wall: 1217.39, 0.00398618/step, 0.215364 hours remaining, 109.511719 MB of memory in use. ENERGY: 305500 641.2973 1915.4165 1997.3697 112.9023 -13.6811 -1031.2647 157.0849 0.0000 2728.5629 6507.6880 301.3774 3779.1250 6539.9668 302.0234 PRESSURE: 305600 0 0 0 0 0 0 0 0 0 GPRESSURE: 305600 0 0 0 0 0 0 0 0 0 PRESSAVG: 305600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305600 0 0 0 0 0 0 0 0 0 TIMING: 305600 CPU: 1217.79, 0.0039741/step Wall: 1217.79, 0.0039741/step, 0.214601 hours remaining, 109.511719 MB of memory in use. ENERGY: 305600 666.1512 1840.9176 2012.3850 124.2062 -14.9639 -1065.8535 171.7732 0.0000 2737.3270 6471.9427 302.3454 3734.6157 6506.3046 301.9965 PRESSURE: 305700 0 0 0 0 0 0 0 0 0 GPRESSURE: 305700 0 0 0 0 0 0 0 0 0 PRESSAVG: 305700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305700 0 0 0 0 0 0 0 0 0 TIMING: 305700 CPU: 1218.19, 0.00398182/step Wall: 1218.19, 0.00398182/step, 0.214908 hours remaining, 109.511719 MB of memory in use. ENERGY: 305700 645.7291 1909.3488 1983.3061 113.7710 -14.8557 -1048.3730 153.6886 0.0000 2716.6827 6459.2977 300.0652 3742.6149 6493.1065 299.0827 PRESSURE: 305800 0 0 0 0 0 0 0 0 0 GPRESSURE: 305800 0 0 0 0 0 0 0 0 0 PRESSAVG: 305800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305800 0 0 0 0 0 0 0 0 0 TIMING: 305800 CPU: 1218.59, 0.00397493/step Wall: 1218.59, 0.00397493/step, 0.214425 hours remaining, 109.511719 MB of memory in use. ENERGY: 305800 637.3895 1872.7274 2008.8440 105.7450 -13.8630 -1022.2300 156.6015 0.0000 2670.4674 6415.6818 294.9606 3745.2144 6447.1702 297.8919 PRESSURE: 305900 0 0 0 0 0 0 0 0 0 GPRESSURE: 305900 0 0 0 0 0 0 0 0 0 PRESSAVG: 305900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 305900 0 0 0 0 0 0 0 0 0 TIMING: 305900 CPU: 1218.99, 0.00397383/step Wall: 1218.99, 0.00397383/step, 0.214256 hours remaining, 109.511719 MB of memory in use. ENERGY: 305900 658.7410 1877.9057 1981.7340 108.1536 -14.2401 -1070.1367 165.0276 0.0000 2703.5592 6410.7443 298.6156 3707.1851 6443.6748 297.2131 PRESSURE: 306000 0 0 0 0 0 0 0 0 0 GPRESSURE: 306000 0 0 0 0 0 0 0 0 0 PRESSAVG: 306000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306000 0 0 0 0 0 0 0 0 0 TIMING: 306000 CPU: 1219.38, 0.00398889/step Wall: 1219.38, 0.00398889/step, 0.214957 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 306000 592.0077 1916.7538 1985.8745 108.7232 -14.2565 -1031.4499 151.2474 0.0000 2714.1591 6423.0593 299.7864 3708.9002 6456.0047 297.1401 PRESSURE: 306100 0 0 0 0 0 0 0 0 0 GPRESSURE: 306100 0 0 0 0 0 0 0 0 0 PRESSAVG: 306100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306100 0 0 0 0 0 0 0 0 0 TIMING: 306100 CPU: 1219.78, 0.00397536/step Wall: 1219.78, 0.00397536/step, 0.214117 hours remaining, 109.511719 MB of memory in use. ENERGY: 306100 692.5628 1844.0996 1990.5284 101.2786 -13.8915 -1067.1288 177.6259 0.0000 2665.7951 6390.8701 294.4445 3725.0750 6421.6027 295.6656 PRESSURE: 306200 0 0 0 0 0 0 0 0 0 GPRESSURE: 306200 0 0 0 0 0 0 0 0 0 PRESSAVG: 306200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306200 0 0 0 0 0 0 0 0 0 TIMING: 306200 CPU: 1220.18, 0.00398562/step Wall: 1220.18, 0.00398562/step, 0.214559 hours remaining, 109.511719 MB of memory in use. ENERGY: 306200 648.5645 1865.6445 2000.6105 97.6623 -15.5942 -986.3325 141.8713 0.0000 2694.5418 6446.9683 297.6197 3752.4265 6477.6830 298.1707 PRESSURE: 306300 0 0 0 0 0 0 0 0 0 GPRESSURE: 306300 0 0 0 0 0 0 0 0 0 PRESSAVG: 306300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306300 0 0 0 0 0 0 0 0 0 TIMING: 306300 CPU: 1220.58, 0.00397486/step Wall: 1220.58, 0.00397486/step, 0.21387 hours remaining, 109.511719 MB of memory in use. ENERGY: 306300 649.5196 1882.5231 2011.6956 100.3417 -13.7443 -1049.8681 156.7959 0.0000 2695.2613 6432.5248 297.6991 3737.2635 6464.3768 298.5332 PRESSURE: 306400 0 0 0 0 0 0 0 0 0 GPRESSURE: 306400 0 0 0 0 0 0 0 0 0 PRESSAVG: 306400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306400 0 0 0 0 0 0 0 0 0 TIMING: 306400 CPU: 1220.98, 0.00397346/step Wall: 1220.98, 0.00397346/step, 0.213684 hours remaining, 109.511719 MB of memory in use. ENERGY: 306400 637.2203 1917.7588 2014.8519 116.7690 -13.8240 -1077.2469 156.2696 0.0000 2737.6967 6489.4955 302.3862 3751.7987 6522.8761 298.8024 PRESSURE: 306500 0 0 0 0 0 0 0 0 0 GPRESSURE: 306500 0 0 0 0 0 0 0 0 0 PRESSAVG: 306500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306500 0 0 0 0 0 0 0 0 0 TIMING: 306500 CPU: 1221.37, 0.00398764/step Wall: 1221.37, 0.00398764/step, 0.214336 hours remaining, 109.511719 MB of memory in use. ENERGY: 306500 683.0626 1924.7644 2017.9516 108.6031 -14.1153 -1075.7366 154.3338 0.0000 2684.3808 6483.2443 296.4973 3798.8636 6514.2751 300.3797 PRESSURE: 306600 0 0 0 0 0 0 0 0 0 GPRESSURE: 306600 0 0 0 0 0 0 0 0 0 PRESSAVG: 306600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306600 0 0 0 0 0 0 0 0 0 TIMING: 306600 CPU: 1221.77, 0.00397239/step Wall: 1221.77, 0.00397239/step, 0.213406 hours remaining, 109.511719 MB of memory in use. ENERGY: 306600 632.4213 1927.7007 2034.4401 109.9747 -14.5530 -1036.8874 150.0679 0.0000 2708.1470 6511.3113 299.1224 3803.1643 6542.1484 302.5433 PRESSURE: 306700 0 0 0 0 0 0 0 0 0 GPRESSURE: 306700 0 0 0 0 0 0 0 0 0 PRESSAVG: 306700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306700 0 0 0 0 0 0 0 0 0 TIMING: 306700 CPU: 1222.17, 0.00398604/step Wall: 1222.17, 0.00398604/step, 0.214028 hours remaining, 109.511719 MB of memory in use. ENERGY: 306700 679.4101 1860.7135 2025.9266 99.7990 -13.7747 -1009.7562 159.8656 0.0000 2707.4093 6509.5932 299.0409 3802.1839 6543.6544 301.6120 PRESSURE: 306800 0 0 0 0 0 0 0 0 0 GPRESSURE: 306800 0 0 0 0 0 0 0 0 0 PRESSAVG: 306800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306800 0 0 0 0 0 0 0 0 0 TIMING: 306800 CPU: 1222.57, 0.00397719/step Wall: 1222.57, 0.00397719/step, 0.213442 hours remaining, 109.511719 MB of memory in use. ENERGY: 306800 649.4556 1894.6044 2015.6043 100.4353 -13.7523 -1044.8167 159.4111 0.0000 2751.2332 6512.1749 303.8814 3760.9417 6542.8600 301.3644 PRESSURE: 306900 0 0 0 0 0 0 0 0 0 GPRESSURE: 306900 0 0 0 0 0 0 0 0 0 PRESSAVG: 306900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 306900 0 0 0 0 0 0 0 0 0 TIMING: 306900 CPU: 1222.96, 0.00397327/step Wall: 1222.96, 0.00397327/step, 0.213122 hours remaining, 109.511719 MB of memory in use. ENERGY: 306900 675.1370 1874.3768 2018.7031 106.2271 -13.5298 -1039.5167 157.0904 0.0000 2716.9632 6495.4512 300.0962 3778.4880 6526.0038 299.9558 PRESSURE: 307000 0 0 0 0 0 0 0 0 0 GPRESSURE: 307000 0 0 0 0 0 0 0 0 0 PRESSAVG: 307000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307000 0 0 0 0 0 0 0 0 0 TIMING: 307000 CPU: 1223.36, 0.00398867/step Wall: 1223.36, 0.00398867/step, 0.213837 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 307000 684.0898 1894.8849 2006.0682 102.9103 -12.9354 -1019.7453 160.2303 0.0000 2676.8224 6492.3251 295.6625 3815.5028 6521.8472 299.1113 PRESSURE: 307100 0 0 0 0 0 0 0 0 0 GPRESSURE: 307100 0 0 0 0 0 0 0 0 0 PRESSAVG: 307100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307100 0 0 0 0 0 0 0 0 0 TIMING: 307100 CPU: 1223.76, 0.00397362/step Wall: 1223.76, 0.00397362/step, 0.21292 hours remaining, 109.511719 MB of memory in use. ENERGY: 307100 652.5789 1843.0474 2031.8297 97.5459 -14.7294 -1039.3397 163.2351 0.0000 2728.9376 6463.1055 301.4188 3734.1679 6497.9408 298.8430 PRESSURE: 307200 0 0 0 0 0 0 0 0 0 GPRESSURE: 307200 0 0 0 0 0 0 0 0 0 PRESSAVG: 307200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307200 0 0 0 0 0 0 0 0 0 TIMING: 307200 CPU: 1224.16, 0.00398378/step Wall: 1224.16, 0.00398378/step, 0.213353 hours remaining, 109.511719 MB of memory in use. ENERGY: 307200 644.9291 1897.3388 2045.8500 100.5896 -14.0650 -1049.2734 172.6703 0.0000 2706.3325 6504.3720 298.9220 3798.0395 6536.5772 300.1804 PRESSURE: 307300 0 0 0 0 0 0 0 0 0 GPRESSURE: 307300 0 0 0 0 0 0 0 0 0 PRESSAVG: 307300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307300 0 0 0 0 0 0 0 0 0 TIMING: 307300 CPU: 1224.56, 0.00397393/step Wall: 1224.56, 0.00397393/step, 0.212716 hours remaining, 109.511719 MB of memory in use. ENERGY: 307300 672.4333 1888.3946 2031.0807 112.6403 -13.2959 -1041.1021 159.0433 0.0000 2668.6508 6477.8451 294.7599 3809.1943 6510.3914 301.8657 PRESSURE: 307400 0 0 0 0 0 0 0 0 0 GPRESSURE: 307400 0 0 0 0 0 0 0 0 0 PRESSAVG: 307400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307400 0 0 0 0 0 0 0 0 0 TIMING: 307400 CPU: 1224.95, 0.00397416/step Wall: 1224.95, 0.00397416/step, 0.212617 hours remaining, 109.511719 MB of memory in use. ENERGY: 307400 666.3642 1884.1453 1999.9534 109.1907 -14.1071 -1052.6249 159.4442 0.0000 2713.0340 6465.3998 299.6622 3752.3658 6498.7894 299.9772 PRESSURE: 307500 0 0 0 0 0 0 0 0 0 GPRESSURE: 307500 0 0 0 0 0 0 0 0 0 PRESSAVG: 307500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307500 0 0 0 0 0 0 0 0 0 TIMING: 307500 CPU: 1225.35, 0.00398782/step Wall: 1225.35, 0.00398782/step, 0.213238 hours remaining, 109.511719 MB of memory in use. ENERGY: 307500 633.7613 1901.7399 1998.5941 108.5349 -14.7806 -1045.2790 166.3322 0.0000 2691.3292 6440.2319 297.2648 3748.9027 6473.4979 300.0077 PRESSURE: 307600 0 0 0 0 0 0 0 0 0 GPRESSURE: 307600 0 0 0 0 0 0 0 0 0 PRESSAVG: 307600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307600 0 0 0 0 0 0 0 0 0 TIMING: 307600 CPU: 1225.75, 0.00397294/step Wall: 1225.75, 0.00397294/step, 0.212332 hours remaining, 109.511719 MB of memory in use. ENERGY: 307600 655.7737 1836.2883 2021.3724 107.4778 -14.5768 -1052.0878 161.6117 0.0000 2693.8404 6409.6998 297.5422 3715.8594 6443.2797 296.3926 PRESSURE: 307700 0 0 0 0 0 0 0 0 0 GPRESSURE: 307700 0 0 0 0 0 0 0 0 0 PRESSAVG: 307700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307700 0 0 0 0 0 0 0 0 0 TIMING: 307700 CPU: 1226.15, 0.00398412/step Wall: 1226.15, 0.00398412/step, 0.212818 hours remaining, 109.511719 MB of memory in use. ENERGY: 307700 624.1014 1863.7734 2039.5950 101.5885 -13.7225 -1052.0874 170.7996 0.0000 2635.9783 6370.0263 291.1512 3734.0480 6403.0195 294.8004 PRESSURE: 307800 0 0 0 0 0 0 0 0 0 GPRESSURE: 307800 0 0 0 0 0 0 0 0 0 PRESSAVG: 307800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307800 0 0 0 0 0 0 0 0 0 TIMING: 307800 CPU: 1226.55, 0.00397378/step Wall: 1226.55, 0.00397378/step, 0.212156 hours remaining, 109.511719 MB of memory in use. ENERGY: 307800 622.8124 1884.5126 1995.0985 100.4424 -13.6395 -1055.3965 160.5763 0.0000 2705.9754 6400.3816 298.8825 3694.4062 6432.4241 295.4792 PRESSURE: 307900 0 0 0 0 0 0 0 0 0 GPRESSURE: 307900 0 0 0 0 0 0 0 0 0 PRESSAVG: 307900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 307900 0 0 0 0 0 0 0 0 0 TIMING: 307900 CPU: 1226.94, 0.00397405/step Wall: 1226.94, 0.00397405/step, 0.21206 hours remaining, 109.511719 MB of memory in use. ENERGY: 307900 646.2371 1871.7486 2027.9527 99.0122 -14.4133 -1029.6894 160.7169 0.0000 2677.1475 6438.7123 295.6984 3761.5648 6470.8546 297.4855 PRESSURE: 308000 0 0 0 0 0 0 0 0 0 GPRESSURE: 308000 0 0 0 0 0 0 0 0 0 PRESSAVG: 308000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308000 0 0 0 0 0 0 0 0 0 TIMING: 308000 CPU: 1227.34, 0.0039856/step Wall: 1227.34, 0.0039856/step, 0.212565 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 308000 652.7100 1861.0101 2030.5103 99.9752 -16.3100 -1034.0164 149.1463 0.0000 2694.2056 6437.2310 297.5825 3743.0254 6469.4661 297.8472 PRESSURE: 308100 0 0 0 0 0 0 0 0 0 GPRESSURE: 308100 0 0 0 0 0 0 0 0 0 PRESSAVG: 308100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308100 0 0 0 0 0 0 0 0 0 TIMING: 308100 CPU: 1227.74, 0.00397352/step Wall: 1227.74, 0.00397352/step, 0.211811 hours remaining, 109.511719 MB of memory in use. ENERGY: 308100 656.0099 1852.6224 2043.0029 101.6221 -15.3380 -1060.6129 166.1874 0.0000 2685.9808 6429.4747 296.6741 3743.4939 6465.4173 297.7945 PRESSURE: 308200 0 0 0 0 0 0 0 0 0 GPRESSURE: 308200 0 0 0 0 0 0 0 0 0 PRESSAVG: 308200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308200 0 0 0 0 0 0 0 0 0 TIMING: 308200 CPU: 1228.14, 0.00398678/step Wall: 1228.14, 0.00398678/step, 0.212407 hours remaining, 109.511719 MB of memory in use. ENERGY: 308200 626.3330 1843.0419 2034.4168 101.9234 -14.8195 -1047.9200 159.3260 0.0000 2764.7461 6467.0476 305.3739 3702.3016 6500.4250 298.3533 LDB: ============= START OF LOAD BALANCING ============== 1230.91 LDB: ============== END OF LOAD BALANCING =============== 1230.91 LDB: =============== DONE WITH MIGRATION ================ 1230.91 PRESSURE: 308300 0 0 0 0 0 0 0 0 0 GPRESSURE: 308300 0 0 0 0 0 0 0 0 0 PRESSAVG: 308300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308300 0 0 0 0 0 0 0 0 0 TIMING: 308300 CPU: 1228.54, 0.00397654/step Wall: 1228.54, 0.00397654/step, 0.211751 hours remaining, 109.511719 MB of memory in use. ENERGY: 308300 626.6510 1883.7589 2031.0054 102.5440 -14.1951 -1067.5350 162.8512 0.0000 2795.2084 6520.2889 308.7386 3725.0805 6555.1169 302.5478 LDB: ============= START OF LOAD BALANCING ============== 1231.31 LDB: ============== END OF LOAD BALANCING =============== 1231.31 LDB: =============== DONE WITH MIGRATION ================ 1231.31 PRESSURE: 308400 0 0 0 0 0 0 0 0 0 GPRESSURE: 308400 0 0 0 0 0 0 0 0 0 PRESSAVG: 308400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308400 0 0 0 0 0 0 0 0 0 TIMING: 308400 CPU: 1228.93, 0.00398388/step Wall: 1228.93, 0.00398388/step, 0.212031 hours remaining, 109.511719 MB of memory in use. ENERGY: 308400 652.5863 1902.4197 2001.5760 111.8706 -13.8949 -1028.4045 152.4707 0.0000 2739.2656 6517.8896 302.5595 3778.6240 6552.1677 302.8348 PRESSURE: 308500 0 0 0 0 0 0 0 0 0 GPRESSURE: 308500 0 0 0 0 0 0 0 0 0 PRESSAVG: 308500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308500 0 0 0 0 0 0 0 0 0 TIMING: 308500 CPU: 1229.33, 0.00398626/step Wall: 1229.33, 0.00398626/step, 0.212047 hours remaining, 109.511719 MB of memory in use. ENERGY: 308500 692.8393 1906.1744 2039.6249 100.5953 -15.3674 -1038.4892 161.7613 0.0000 2677.5822 6524.7208 295.7464 3847.1386 6556.4727 302.0774 PRESSURE: 308600 0 0 0 0 0 0 0 0 0 GPRESSURE: 308600 0 0 0 0 0 0 0 0 0 PRESSAVG: 308600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308600 0 0 0 0 0 0 0 0 0 TIMING: 308600 CPU: 1229.73, 0.00397291/step Wall: 1229.73, 0.00397291/step, 0.211226 hours remaining, 109.511719 MB of memory in use. ENERGY: 308600 657.2968 1849.5735 2028.0459 103.2521 -15.7755 -991.5290 148.9830 0.0000 2732.0201 6511.8669 301.7592 3779.8469 6545.8566 303.0088 PRESSURE: 308700 0 0 0 0 0 0 0 0 0 GPRESSURE: 308700 0 0 0 0 0 0 0 0 0 PRESSAVG: 308700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308700 0 0 0 0 0 0 0 0 0 TIMING: 308700 CPU: 1230.13, 0.0039859/step Wall: 1230.13, 0.0039859/step, 0.211806 hours remaining, 109.511719 MB of memory in use. ENERGY: 308700 635.6944 1841.6386 2015.4884 104.6179 -13.9444 -1036.9391 167.5708 0.0000 2748.8387 6462.9654 303.6169 3714.1267 6498.7490 299.6579 PRESSURE: 308800 0 0 0 0 0 0 0 0 0 GPRESSURE: 308800 0 0 0 0 0 0 0 0 0 PRESSAVG: 308800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308800 0 0 0 0 0 0 0 0 0 TIMING: 308800 CPU: 1230.53, 0.00397353/step Wall: 1230.53, 0.00397353/step, 0.211039 hours remaining, 109.511719 MB of memory in use. ENERGY: 308800 646.9546 1871.2387 2009.7185 103.9712 -15.6057 -1033.5602 151.3522 0.0000 2688.8793 6422.9485 296.9942 3734.0691 6457.8588 296.4356 PRESSURE: 308900 0 0 0 0 0 0 0 0 0 GPRESSURE: 308900 0 0 0 0 0 0 0 0 0 PRESSAVG: 308900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 308900 0 0 0 0 0 0 0 0 0 TIMING: 308900 CPU: 1230.92, 0.00397366/step Wall: 1230.92, 0.00397366/step, 0.210935 hours remaining, 109.511719 MB of memory in use. ENERGY: 308900 646.1850 1872.2145 2011.5373 104.7559 -14.7468 -1041.1604 171.0770 0.0000 2679.1894 6429.0518 295.9239 3749.8625 6460.5869 297.7354 PRESSURE: 309000 0 0 0 0 0 0 0 0 0 GPRESSURE: 309000 0 0 0 0 0 0 0 0 0 PRESSAVG: 309000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309000 0 0 0 0 0 0 0 0 0 TIMING: 309000 CPU: 1231.32, 0.00398663/step Wall: 1231.32, 0.00398663/step, 0.211513 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 309000 661.6813 1855.8837 2010.1942 119.9961 -15.4542 -1082.9310 157.2152 0.0000 2713.2875 6419.8729 299.6902 3706.5854 6453.0827 298.4201 PRESSURE: 309100 0 0 0 0 0 0 0 0 0 GPRESSURE: 309100 0 0 0 0 0 0 0 0 0 PRESSAVG: 309100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309100 0 0 0 0 0 0 0 0 0 TIMING: 309100 CPU: 1231.72, 0.00397056/step Wall: 1231.72, 0.00397056/step, 0.21055 hours remaining, 109.511719 MB of memory in use. ENERGY: 309100 654.9569 1897.3666 1985.6540 102.5614 -15.6302 -1025.8196 154.0632 0.0000 2671.7937 6424.9460 295.1071 3753.1523 6456.2672 296.1882 PRESSURE: 309200 0 0 0 0 0 0 0 0 0 GPRESSURE: 309200 0 0 0 0 0 0 0 0 0 PRESSAVG: 309200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309200 0 0 0 0 0 0 0 0 0 TIMING: 309200 CPU: 1232.12, 0.0039875/step Wall: 1232.12, 0.0039875/step, 0.211338 hours remaining, 109.511719 MB of memory in use. ENERGY: 309200 648.0956 1884.2156 2004.0717 98.7145 -15.0957 -1066.7103 153.2414 0.0000 2664.7525 6371.2854 294.3293 3706.5328 6403.6911 296.5934 PRESSURE: 309300 0 0 0 0 0 0 0 0 0 GPRESSURE: 309300 0 0 0 0 0 0 0 0 0 PRESSAVG: 309300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309300 0 0 0 0 0 0 0 0 0 TIMING: 309300 CPU: 1232.52, 0.00399381/step Wall: 1232.52, 0.00399381/step, 0.211561 hours remaining, 109.511719 MB of memory in use. ENERGY: 309300 646.9774 1856.4839 2022.8985 106.8355 -14.1040 -1078.4696 170.1309 0.0000 2625.1891 6335.9416 289.9594 3710.7525 6368.6315 292.4224 PRESSURE: 309400 0 0 0 0 0 0 0 0 0 GPRESSURE: 309400 0 0 0 0 0 0 0 0 0 PRESSAVG: 309400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309400 0 0 0 0 0 0 0 0 0 TIMING: 309400 CPU: 1232.91, 0.00397517/step Wall: 1232.91, 0.00397517/step, 0.210463 hours remaining, 109.511719 MB of memory in use. ENERGY: 309400 663.5502 1874.7225 2015.5521 118.8043 -14.2015 -1082.4715 159.6769 0.0000 2598.5915 6334.2246 287.0217 3735.6330 6364.0963 291.6870 PRESSURE: 309500 0 0 0 0 0 0 0 0 0 GPRESSURE: 309500 0 0 0 0 0 0 0 0 0 PRESSAVG: 309500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309500 0 0 0 0 0 0 0 0 0 TIMING: 309500 CPU: 1233.31, 0.00397879/step Wall: 1233.31, 0.00397879/step, 0.210544 hours remaining, 109.511719 MB of memory in use. ENERGY: 309500 622.9999 1846.5200 2011.8058 99.7100 -15.3041 -1047.7735 158.7492 0.0000 2668.6223 6345.3295 294.7568 3676.7073 6376.1308 292.2271 PRESSURE: 309600 0 0 0 0 0 0 0 0 0 GPRESSURE: 309600 0 0 0 0 0 0 0 0 0 PRESSAVG: 309600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309600 0 0 0 0 0 0 0 0 0 TIMING: 309600 CPU: 1233.71, 0.00399317/step Wall: 1233.71, 0.00399317/step, 0.211194 hours remaining, 109.511719 MB of memory in use. ENERGY: 309600 652.5159 1816.5092 2008.8613 100.4350 -14.5874 -1061.7423 157.1989 0.0000 2682.7742 6341.9649 296.3199 3659.1906 6374.5309 293.5726 PRESSURE: 309700 0 0 0 0 0 0 0 0 0 GPRESSURE: 309700 0 0 0 0 0 0 0 0 0 PRESSAVG: 309700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309700 0 0 0 0 0 0 0 0 0 TIMING: 309700 CPU: 1234.11, 0.00397274/step Wall: 1234.11, 0.00397274/step, 0.210003 hours remaining, 109.511719 MB of memory in use. ENERGY: 309700 615.4172 1840.6995 2019.7065 120.8744 -15.0289 -1058.2419 169.9257 0.0000 2667.3168 6360.6695 294.6126 3693.3527 6392.7727 293.9596 PRESSURE: 309800 0 0 0 0 0 0 0 0 0 GPRESSURE: 309800 0 0 0 0 0 0 0 0 0 PRESSAVG: 309800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309800 0 0 0 0 0 0 0 0 0 TIMING: 309800 CPU: 1234.51, 0.00398749/step Wall: 1234.51, 0.00398749/step, 0.210672 hours remaining, 109.511719 MB of memory in use. ENERGY: 309800 669.4761 1848.0555 2000.9579 97.4245 -15.0126 -1058.6054 150.1940 0.0000 2664.6732 6357.1633 294.3206 3692.4900 6388.5236 295.2903 PRESSURE: 309900 0 0 0 0 0 0 0 0 0 GPRESSURE: 309900 0 0 0 0 0 0 0 0 0 PRESSAVG: 309900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 309900 0 0 0 0 0 0 0 0 0 TIMING: 309900 CPU: 1234.91, 0.00397502/step Wall: 1234.91, 0.00397502/step, 0.209903 hours remaining, 109.511719 MB of memory in use. ENERGY: 309900 640.4311 1831.1259 2006.7613 115.7081 -15.7552 -1028.5265 168.1502 0.0000 2642.4047 6360.2996 291.8610 3717.8950 6391.8237 294.1536 PRESSURE: 310000 0 0 0 0 0 0 0 0 0 GPRESSURE: 310000 0 0 0 0 0 0 0 0 0 PRESSAVG: 310000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310000 0 0 0 0 0 0 0 0 0 TIMING: 310000 CPU: 1235.3, 0.00397813/step Wall: 1235.3, 0.00397813/step, 0.209957 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 310000 672.5215 1819.9215 2009.6743 91.0274 -13.7424 -1060.3647 170.4645 0.0000 2709.0485 6398.5506 299.2219 3689.5021 6432.8179 294.9222 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 310000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 310000 WRITING COORDINATES TO RESTART FILE AT STEP 310000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 310000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 310100 0 0 0 0 0 0 0 0 0 GPRESSURE: 310100 0 0 0 0 0 0 0 0 0 PRESSAVG: 310100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310100 0 0 0 0 0 0 0 0 0 TIMING: 310100 CPU: 1235.73, 0.00429278/step Wall: 1235.73, 0.00429278/step, 0.226444 hours remaining, 109.511719 MB of memory in use. ENERGY: 310100 671.2059 1858.9653 2013.5539 110.7539 -13.2972 -1001.4230 146.2951 0.0000 2646.9069 6432.9609 292.3582 3786.0540 6463.3021 296.5084 PRESSURE: 310200 0 0 0 0 0 0 0 0 0 GPRESSURE: 310200 0 0 0 0 0 0 0 0 0 PRESSAVG: 310200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310200 0 0 0 0 0 0 0 0 0 TIMING: 310200 CPU: 1236.13, 0.00397605/step Wall: 1236.13, 0.00397605/step, 0.209626 hours remaining, 109.511719 MB of memory in use. ENERGY: 310200 664.8228 1877.1493 2006.6288 114.3379 -14.7773 -1028.8881 168.8460 0.0000 2678.5889 6466.7081 295.8576 3788.1192 6499.3840 297.8497 PRESSURE: 310300 0 0 0 0 0 0 0 0 0 GPRESSURE: 310300 0 0 0 0 0 0 0 0 0 PRESSAVG: 310300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310300 0 0 0 0 0 0 0 0 0 TIMING: 310300 CPU: 1236.53, 0.0039881/step Wall: 1236.53, 0.0039881/step, 0.210151 hours remaining, 109.511719 MB of memory in use. ENERGY: 310300 663.7627 1913.6773 2014.3055 110.0486 -13.9990 -1070.9264 168.2951 0.0000 2703.7955 6488.9593 298.6417 3785.1637 6518.2700 299.8058 PRESSURE: 310400 0 0 0 0 0 0 0 0 0 GPRESSURE: 310400 0 0 0 0 0 0 0 0 0 PRESSAVG: 310400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310400 0 0 0 0 0 0 0 0 0 TIMING: 310400 CPU: 1236.93, 0.00397609/step Wall: 1236.93, 0.00397609/step, 0.209407 hours remaining, 109.511719 MB of memory in use. ENERGY: 310400 635.5125 1855.1143 2021.8460 110.2677 -15.5007 -1061.1634 163.8113 0.0000 2757.2769 6467.1646 304.5489 3709.8877 6503.9385 301.2496 PRESSURE: 310500 0 0 0 0 0 0 0 0 0 GPRESSURE: 310500 0 0 0 0 0 0 0 0 0 PRESSAVG: 310500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310500 0 0 0 0 0 0 0 0 0 TIMING: 310500 CPU: 1237.32, 0.00397695/step Wall: 1237.32, 0.00397695/step, 0.209342 hours remaining, 109.511719 MB of memory in use. ENERGY: 310500 638.9814 1868.8732 2006.7124 98.1553 -14.5492 -1044.4468 155.5397 0.0000 2771.6178 6480.8839 306.1329 3709.2660 6515.5773 299.6673 PRESSURE: 310600 0 0 0 0 0 0 0 0 0 GPRESSURE: 310600 0 0 0 0 0 0 0 0 0 PRESSAVG: 310600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310600 0 0 0 0 0 0 0 0 0 TIMING: 310600 CPU: 1237.72, 0.00398469/step Wall: 1237.72, 0.00398469/step, 0.209639 hours remaining, 109.511719 MB of memory in use. ENERGY: 310600 633.3455 1934.8595 2002.3947 102.9269 -13.8942 -1079.4506 161.5654 0.0000 2736.8175 6478.5647 302.2891 3741.7472 6511.4541 301.0698 PRESSURE: 310700 0 0 0 0 0 0 0 0 0 GPRESSURE: 310700 0 0 0 0 0 0 0 0 0 PRESSAVG: 310700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310700 0 0 0 0 0 0 0 0 0 TIMING: 310700 CPU: 1238.12, 0.00397372/step Wall: 1238.12, 0.00397372/step, 0.208951 hours remaining, 109.511719 MB of memory in use. ENERGY: 310700 662.3478 1877.8752 2018.7804 100.8195 -14.4842 -1072.9736 160.0298 0.0000 2729.8136 6462.2084 301.5155 3732.3948 6498.6179 300.0508 PRESSURE: 310800 0 0 0 0 0 0 0 0 0 GPRESSURE: 310800 0 0 0 0 0 0 0 0 0 PRESSAVG: 310800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310800 0 0 0 0 0 0 0 0 0 TIMING: 310800 CPU: 1238.52, 0.00398477/step Wall: 1238.52, 0.00398477/step, 0.209422 hours remaining, 109.511719 MB of memory in use. ENERGY: 310800 656.4786 1886.2957 2024.6892 100.3317 -15.1171 -1068.1823 154.4810 0.0000 2733.1665 6472.1433 301.8859 3738.9768 6505.8808 299.4496 PRESSURE: 310900 0 0 0 0 0 0 0 0 0 GPRESSURE: 310900 0 0 0 0 0 0 0 0 0 PRESSAVG: 310900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 310900 0 0 0 0 0 0 0 0 0 TIMING: 310900 CPU: 1238.92, 0.00397581/step Wall: 1238.92, 0.00397581/step, 0.20884 hours remaining, 109.511719 MB of memory in use. ENERGY: 310900 620.0406 1933.1385 2030.2582 110.9078 -14.4270 -1020.7258 167.6194 0.0000 2673.2139 6500.0256 295.2639 3826.8117 6530.1741 300.5940 PRESSURE: 311000 0 0 0 0 0 0 0 0 0 GPRESSURE: 311000 0 0 0 0 0 0 0 0 0 PRESSAVG: 311000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311000 0 0 0 0 0 0 0 0 0 TIMING: 311000 CPU: 1239.31, 0.00397596/step Wall: 1239.31, 0.00397596/step, 0.208738 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 311000 670.5571 1873.8820 2027.6337 101.1507 -15.3927 -1050.2235 176.4658 0.0000 2683.5826 6467.6557 296.4092 3784.0731 6502.1041 298.8208 PRESSURE: 311100 0 0 0 0 0 0 0 0 0 GPRESSURE: 311100 0 0 0 0 0 0 0 0 0 PRESSAVG: 311100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311100 0 0 0 0 0 0 0 0 0 TIMING: 311100 CPU: 1239.71, 0.00398565/step Wall: 1239.71, 0.00398565/step, 0.209136 hours remaining, 109.511719 MB of memory in use. ENERGY: 311100 670.2304 1932.5103 2022.3479 109.6642 -14.7777 -1050.1675 165.2159 0.0000 2677.6077 6512.6313 295.7492 3835.0236 6542.3876 300.9182 PRESSURE: 311200 0 0 0 0 0 0 0 0 0 GPRESSURE: 311200 0 0 0 0 0 0 0 0 0 PRESSAVG: 311200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311200 0 0 0 0 0 0 0 0 0 TIMING: 311200 CPU: 1240.11, 0.00397508/step Wall: 1240.11, 0.00397508/step, 0.208471 hours remaining, 109.511719 MB of memory in use. ENERGY: 311200 643.3363 1880.7666 2017.6285 96.5863 -14.3055 -1018.8821 158.7029 0.0000 2719.5232 6483.3563 300.3789 3763.8331 6517.9533 300.6335 PRESSURE: 311300 0 0 0 0 0 0 0 0 0 GPRESSURE: 311300 0 0 0 0 0 0 0 0 0 PRESSAVG: 311300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311300 0 0 0 0 0 0 0 0 0 TIMING: 311300 CPU: 1240.51, 0.00398345/step Wall: 1240.51, 0.00398345/step, 0.208799 hours remaining, 109.511719 MB of memory in use. ENERGY: 311300 651.0053 1921.4996 1999.1861 107.8268 -15.0505 -1082.7299 172.9090 0.0000 2716.2280 6470.8744 300.0150 3754.6463 6499.2422 300.5236 PRESSURE: 311400 0 0 0 0 0 0 0 0 0 GPRESSURE: 311400 0 0 0 0 0 0 0 0 0 PRESSAVG: 311400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311400 0 0 0 0 0 0 0 0 0 TIMING: 311400 CPU: 1240.91, 0.00397612/step Wall: 1240.91, 0.00397612/step, 0.208304 hours remaining, 109.511719 MB of memory in use. ENERGY: 311400 662.9698 1869.5809 2038.1226 106.0702 -13.3270 -1039.6662 177.8258 0.0000 2692.0279 6493.6040 297.3420 3801.5761 6526.4782 299.9294 PRESSURE: 311500 0 0 0 0 0 0 0 0 0 GPRESSURE: 311500 0 0 0 0 0 0 0 0 0 PRESSAVG: 311500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311500 0 0 0 0 0 0 0 0 0 TIMING: 311500 CPU: 1241.3, 0.00397672/step Wall: 1241.3, 0.00397672/step, 0.208226 hours remaining, 109.511719 MB of memory in use. ENERGY: 311500 669.1917 1887.4188 2020.3571 119.7255 -14.9936 -1028.5848 156.5289 0.0000 2675.3776 6485.0213 295.5029 3809.6437 6515.0962 299.3519 PRESSURE: 311600 0 0 0 0 0 0 0 0 0 GPRESSURE: 311600 0 0 0 0 0 0 0 0 0 PRESSAVG: 311600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311600 0 0 0 0 0 0 0 0 0 TIMING: 311600 CPU: 1241.7, 0.00398742/step Wall: 1241.7, 0.00398742/step, 0.208675 hours remaining, 109.511719 MB of memory in use. ENERGY: 311600 684.5820 1865.2733 2002.0468 100.6327 -14.1276 -1079.9074 160.9923 0.0000 2733.1902 6452.6822 301.8885 3719.4920 6487.1627 298.3579 PRESSURE: 311700 0 0 0 0 0 0 0 0 0 GPRESSURE: 311700 0 0 0 0 0 0 0 0 0 PRESSAVG: 311700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311700 0 0 0 0 0 0 0 0 0 TIMING: 311700 CPU: 1242.1, 0.00397345/step Wall: 1242.1, 0.00397345/step, 0.207834 hours remaining, 109.511719 MB of memory in use. ENERGY: 311700 658.2546 1862.0779 2018.5001 108.1810 -13.9670 -1057.4472 166.8779 0.0000 2733.1103 6475.5876 301.8796 3742.4773 6510.0784 299.2582 PRESSURE: 311800 0 0 0 0 0 0 0 0 0 GPRESSURE: 311800 0 0 0 0 0 0 0 0 0 PRESSAVG: 311800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311800 0 0 0 0 0 0 0 0 0 TIMING: 311800 CPU: 1242.5, 0.00398733/step Wall: 1242.5, 0.00398733/step, 0.208449 hours remaining, 109.511719 MB of memory in use. ENERGY: 311800 666.6393 1861.4666 2012.1872 104.9113 -15.6650 -1042.9749 154.5969 0.0000 2765.8847 6507.0461 305.4997 3741.1614 6540.6180 300.5714 PRESSURE: 311900 0 0 0 0 0 0 0 0 0 GPRESSURE: 311900 0 0 0 0 0 0 0 0 0 PRESSAVG: 311900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 311900 0 0 0 0 0 0 0 0 0 TIMING: 311900 CPU: 1242.9, 0.00397843/step Wall: 1242.9, 0.00397843/step, 0.207873 hours remaining, 109.511719 MB of memory in use. ENERGY: 311900 654.7539 1949.2770 2019.2177 97.2131 -15.3854 -1118.5405 166.0987 0.0000 2748.2944 6500.9289 303.5568 3752.6345 6537.4216 302.2841 PRESSURE: 312000 0 0 0 0 0 0 0 0 0 GPRESSURE: 312000 0 0 0 0 0 0 0 0 0 PRESSAVG: 312000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312000 0 0 0 0 0 0 0 0 0 TIMING: 312000 CPU: 1243.29, 0.00397775/step Wall: 1243.29, 0.00397775/step, 0.207727 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 312000 643.5224 1872.9193 2035.7239 109.8342 -14.8431 -1054.5180 163.5737 0.0000 2737.6993 6493.9118 302.3865 3756.2125 6529.5543 300.0481 PRESSURE: 312100 0 0 0 0 0 0 0 0 0 GPRESSURE: 312100 0 0 0 0 0 0 0 0 0 PRESSAVG: 312100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312100 0 0 0 0 0 0 0 0 0 TIMING: 312100 CPU: 1243.69, 0.00398547/step Wall: 1243.69, 0.00398547/step, 0.208019 hours remaining, 109.511719 MB of memory in use. ENERGY: 312100 616.8422 1882.1536 2043.9115 109.0300 -14.6867 -1031.1254 166.3338 0.0000 2680.3995 6452.8586 296.0576 3772.4590 6485.4402 299.5769 PRESSURE: 312200 0 0 0 0 0 0 0 0 0 GPRESSURE: 312200 0 0 0 0 0 0 0 0 0 PRESSAVG: 312200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312200 0 0 0 0 0 0 0 0 0 TIMING: 312200 CPU: 1244.09, 0.00397357/step Wall: 1244.09, 0.00397357/step, 0.207288 hours remaining, 109.511719 MB of memory in use. ENERGY: 312200 642.9134 1920.2898 2008.1933 94.0007 -15.4915 -1020.5983 157.0692 0.0000 2697.4099 6483.7864 297.9364 3786.3764 6516.1361 298.7661 LDB: ============= START OF LOAD BALANCING ============== 1246.87 LDB: ============== END OF LOAD BALANCING =============== 1246.87 LDB: =============== DONE WITH MIGRATION ================ 1246.87 PRESSURE: 312300 0 0 0 0 0 0 0 0 0 GPRESSURE: 312300 0 0 0 0 0 0 0 0 0 PRESSAVG: 312300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312300 0 0 0 0 0 0 0 0 0 TIMING: 312300 CPU: 1244.49, 0.00398858/step Wall: 1244.49, 0.00398858/step, 0.20796 hours remaining, 109.511719 MB of memory in use. ENERGY: 312300 683.1229 1897.9962 2034.0716 109.9099 -14.9685 -1046.2306 153.2460 0.0000 2682.7178 6499.8654 296.3137 3817.1476 6531.3641 301.4720 LDB: ============= START OF LOAD BALANCING ============== 1247.26 LDB: ============== END OF LOAD BALANCING =============== 1247.26 LDB: =============== DONE WITH MIGRATION ================ 1247.26 PRESSURE: 312400 0 0 0 0 0 0 0 0 0 GPRESSURE: 312400 0 0 0 0 0 0 0 0 0 PRESSAVG: 312400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312400 0 0 0 0 0 0 0 0 0 TIMING: 312400 CPU: 1244.89, 0.00398097/step Wall: 1244.89, 0.00398097/step, 0.207453 hours remaining, 109.511719 MB of memory in use. ENERGY: 312400 658.4328 1861.6476 2023.1723 112.2033 -14.8975 -1031.6918 164.9899 0.0000 2686.0879 6459.9447 296.6859 3773.8568 6493.6756 299.8159 PRESSURE: 312500 0 0 0 0 0 0 0 0 0 GPRESSURE: 312500 0 0 0 0 0 0 0 0 0 PRESSAVG: 312500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312500 0 0 0 0 0 0 0 0 0 TIMING: 312500 CPU: 1245.28, 0.00397874/step Wall: 1245.28, 0.00397874/step, 0.207226 hours remaining, 109.511719 MB of memory in use. ENERGY: 312500 702.5260 1918.1385 1996.1923 105.2215 -15.8634 -1057.1519 158.8746 0.0000 2624.8974 6432.8350 289.9272 3807.9377 6466.3696 298.3137 PRESSURE: 312600 0 0 0 0 0 0 0 0 0 GPRESSURE: 312600 0 0 0 0 0 0 0 0 0 PRESSAVG: 312600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312600 0 0 0 0 0 0 0 0 0 TIMING: 312600 CPU: 1245.68, 0.00398743/step Wall: 1245.68, 0.00398743/step, 0.207568 hours remaining, 109.511719 MB of memory in use. ENERGY: 312600 652.4705 1926.8154 1997.3279 103.6015 -14.7368 -1054.9444 161.8269 0.0000 2650.5393 6422.9003 292.7595 3772.3610 6454.9050 297.3351 PRESSURE: 312700 0 0 0 0 0 0 0 0 0 GPRESSURE: 312700 0 0 0 0 0 0 0 0 0 PRESSAVG: 312700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312700 0 0 0 0 0 0 0 0 0 TIMING: 312700 CPU: 1246.08, 0.00397674/step Wall: 1246.08, 0.00397674/step, 0.206901 hours remaining, 109.511719 MB of memory in use. ENERGY: 312700 659.1284 1844.1703 2001.5896 107.4469 -15.1961 -1046.0079 151.6524 0.0000 2753.4603 6456.2439 304.1274 3702.7836 6490.4198 297.4432 PRESSURE: 312800 0 0 0 0 0 0 0 0 0 GPRESSURE: 312800 0 0 0 0 0 0 0 0 0 PRESSAVG: 312800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312800 0 0 0 0 0 0 0 0 0 TIMING: 312800 CPU: 1246.48, 0.00398575/step Wall: 1246.48, 0.00398575/step, 0.207259 hours remaining, 109.511719 MB of memory in use. ENERGY: 312800 624.4537 1872.8924 2008.4785 110.1778 -13.9469 -1023.7996 168.2823 0.0000 2721.9089 6468.4470 300.6424 3746.5381 6503.2170 298.8577 PRESSURE: 312900 0 0 0 0 0 0 0 0 0 GPRESSURE: 312900 0 0 0 0 0 0 0 0 0 PRESSAVG: 312900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 312900 0 0 0 0 0 0 0 0 0 TIMING: 312900 CPU: 1246.88, 0.00397479/step Wall: 1246.88, 0.00397479/step, 0.206579 hours remaining, 109.511719 MB of memory in use. ENERGY: 312900 665.9936 1913.6593 1990.0596 114.4614 -15.2782 -1068.3867 166.0848 0.0000 2708.9056 6475.4995 299.2062 3766.5939 6507.5833 299.2081 PRESSURE: 313000 0 0 0 0 0 0 0 0 0 GPRESSURE: 313000 0 0 0 0 0 0 0 0 0 PRESSAVG: 313000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313000 0 0 0 0 0 0 0 0 0 TIMING: 313000 CPU: 1247.27, 0.00397444/step Wall: 1247.27, 0.00397444/step, 0.20645 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 313000 624.5896 1903.8318 2001.8436 115.2537 -14.4658 -1071.0615 161.0791 0.0000 2739.8167 6460.8873 302.6204 3721.0706 6495.2399 299.0984 PRESSURE: 313100 0 0 0 0 0 0 0 0 0 GPRESSURE: 313100 0 0 0 0 0 0 0 0 0 PRESSAVG: 313100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313100 0 0 0 0 0 0 0 0 0 TIMING: 313100 CPU: 1247.67, 0.00398465/step Wall: 1247.67, 0.00398465/step, 0.20687 hours remaining, 109.511719 MB of memory in use. ENERGY: 313100 646.7893 1860.2175 2025.5296 118.3114 -13.9939 -1036.2885 168.1744 0.0000 2721.7076 6490.4474 300.6202 3768.7398 6526.0781 298.2268 PRESSURE: 313200 0 0 0 0 0 0 0 0 0 GPRESSURE: 313200 0 0 0 0 0 0 0 0 0 PRESSAVG: 313200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313200 0 0 0 0 0 0 0 0 0 TIMING: 313200 CPU: 1248.07, 0.00397517/step Wall: 1248.07, 0.00397517/step, 0.206267 hours remaining, 109.511719 MB of memory in use. ENERGY: 313200 664.5278 1918.1350 2019.5544 113.0487 -14.3008 -1064.5358 154.3287 0.0000 2701.7030 6492.4609 298.4106 3790.7580 6525.3675 300.4308 PRESSURE: 313300 0 0 0 0 0 0 0 0 0 GPRESSURE: 313300 0 0 0 0 0 0 0 0 0 PRESSAVG: 313300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313300 0 0 0 0 0 0 0 0 0 TIMING: 313300 CPU: 1248.47, 0.00398662/step Wall: 1248.47, 0.00398662/step, 0.206751 hours remaining, 109.511719 MB of memory in use. ENERGY: 313300 671.7414 1869.4239 2013.3891 112.7389 -14.0072 -1044.7859 162.2356 0.0000 2687.8133 6458.5491 296.8765 3770.7358 6491.9163 300.1750 PRESSURE: 313400 0 0 0 0 0 0 0 0 0 GPRESSURE: 313400 0 0 0 0 0 0 0 0 0 PRESSAVG: 313400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313400 0 0 0 0 0 0 0 0 0 TIMING: 313400 CPU: 1248.87, 0.00397575/step Wall: 1248.87, 0.00397574/step, 0.206076 hours remaining, 109.511719 MB of memory in use. ENERGY: 313400 624.4848 1896.9094 2003.9340 99.1180 -15.2201 -1062.0070 160.0670 0.0000 2686.8796 6394.1657 296.7733 3707.2861 6426.9332 297.3642 PRESSURE: 313500 0 0 0 0 0 0 0 0 0 GPRESSURE: 313500 0 0 0 0 0 0 0 0 0 PRESSAVG: 313500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313500 0 0 0 0 0 0 0 0 0 TIMING: 313500 CPU: 1249.26, 0.00397535/step Wall: 1249.26, 0.00397536/step, 0.205946 hours remaining, 109.511719 MB of memory in use. ENERGY: 313500 644.7561 1895.6899 2008.8584 111.2797 -15.8331 -1069.1602 155.2321 0.0000 2710.2247 6441.0476 299.3519 3730.8229 6473.2134 295.7137 PRESSURE: 313600 0 0 0 0 0 0 0 0 0 GPRESSURE: 313600 0 0 0 0 0 0 0 0 0 PRESSAVG: 313600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313600 0 0 0 0 0 0 0 0 0 TIMING: 313600 CPU: 1249.66, 0.00398507/step Wall: 1249.66, 0.00398507/step, 0.206338 hours remaining, 109.511719 MB of memory in use. ENERGY: 313600 667.6506 1853.9349 2006.1833 112.9402 -13.9843 -1088.0033 153.4366 0.0000 2693.1808 6385.3389 297.4693 3692.1581 6420.0467 297.1172 PRESSURE: 313700 0 0 0 0 0 0 0 0 0 GPRESSURE: 313700 0 0 0 0 0 0 0 0 0 PRESSAVG: 313700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313700 0 0 0 0 0 0 0 0 0 TIMING: 313700 CPU: 1250.06, 0.00397561/step Wall: 1250.06, 0.00397561/step, 0.205738 hours remaining, 109.511719 MB of memory in use. ENERGY: 313700 601.2852 1910.0056 2032.9060 103.4759 -14.4713 -1058.7277 168.7531 0.0000 2655.1087 6398.3355 293.2642 3743.2268 6430.0575 294.7443 PRESSURE: 313800 0 0 0 0 0 0 0 0 0 GPRESSURE: 313800 0 0 0 0 0 0 0 0 0 PRESSAVG: 313800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313800 0 0 0 0 0 0 0 0 0 TIMING: 313800 CPU: 1250.46, 0.00398498/step Wall: 1250.46, 0.00398498/step, 0.206112 hours remaining, 109.511719 MB of memory in use. ENERGY: 313800 637.6188 1840.5184 2004.4720 106.5538 -15.2589 -1020.4548 153.9499 0.0000 2697.7193 6405.1186 297.9706 3707.3993 6439.3648 296.3931 PRESSURE: 313900 0 0 0 0 0 0 0 0 0 GPRESSURE: 313900 0 0 0 0 0 0 0 0 0 PRESSAVG: 313900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 313900 0 0 0 0 0 0 0 0 0 TIMING: 313900 CPU: 1250.86, 0.00397399/step Wall: 1250.86, 0.00397399/step, 0.205433 hours remaining, 109.511719 MB of memory in use. ENERGY: 313900 650.6231 1891.0418 1982.8334 108.8775 -15.0390 -1044.4297 170.1656 0.0000 2659.9802 6404.0528 293.8022 3744.0726 6437.1865 295.8877 PRESSURE: 314000 0 0 0 0 0 0 0 0 0 GPRESSURE: 314000 0 0 0 0 0 0 0 0 0 PRESSAVG: 314000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314000 0 0 0 0 0 0 0 0 0 TIMING: 314000 CPU: 1251.25, 0.00397354/step Wall: 1251.25, 0.00397354/step, 0.2053 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 314000 679.4144 1862.2840 2012.5728 103.5612 -14.8394 -1063.8299 165.5939 0.0000 2704.6926 6449.4496 298.7408 3744.7570 6478.5772 296.6161 PRESSURE: 314100 0 0 0 0 0 0 0 0 0 GPRESSURE: 314100 0 0 0 0 0 0 0 0 0 PRESSAVG: 314100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314100 0 0 0 0 0 0 0 0 0 TIMING: 314100 CPU: 1251.65, 0.00398869/step Wall: 1251.65, 0.00398869/step, 0.205972 hours remaining, 109.511719 MB of memory in use. ENERGY: 314100 687.9526 1900.4403 2007.5524 110.5429 -15.1651 -1076.2795 163.8762 0.0000 2651.3228 6430.2425 292.8460 3778.9198 6460.7607 297.6944 PRESSURE: 314200 0 0 0 0 0 0 0 0 0 GPRESSURE: 314200 0 0 0 0 0 0 0 0 0 PRESSAVG: 314200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314200 0 0 0 0 0 0 0 0 0 TIMING: 314200 CPU: 1252.05, 0.0039749/step Wall: 1252.05, 0.0039749/step, 0.205149 hours remaining, 109.511719 MB of memory in use. ENERGY: 314200 673.0212 1879.8477 2028.3710 106.5288 -14.6091 -1045.5577 178.8819 0.0000 2650.8258 6457.3096 292.7911 3806.4838 6489.4475 297.2665 PRESSURE: 314300 0 0 0 0 0 0 0 0 0 GPRESSURE: 314300 0 0 0 0 0 0 0 0 0 PRESSAVG: 314300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314300 0 0 0 0 0 0 0 0 0 TIMING: 314300 CPU: 1252.45, 0.00398753/step Wall: 1252.45, 0.00398753/step, 0.20569 hours remaining, 109.511719 MB of memory in use. ENERGY: 314300 624.9832 1865.1892 2025.2399 109.4695 -14.6100 -1074.7184 159.7494 0.0000 2721.2064 6416.5092 300.5648 3695.3028 6450.2343 298.1017 PRESSURE: 314400 0 0 0 0 0 0 0 0 0 GPRESSURE: 314400 0 0 0 0 0 0 0 0 0 PRESSAVG: 314400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314400 0 0 0 0 0 0 0 0 0 TIMING: 314400 CPU: 1252.85, 0.0039732/step Wall: 1252.85, 0.0039732/step, 0.204841 hours remaining, 109.511719 MB of memory in use. ENERGY: 314400 634.7065 1862.8285 2026.7553 121.0840 -14.2799 -1054.6403 174.5953 0.0000 2707.3557 6458.4050 299.0350 3751.0493 6491.4265 297.9980 PRESSURE: 314500 0 0 0 0 0 0 0 0 0 GPRESSURE: 314500 0 0 0 0 0 0 0 0 0 PRESSAVG: 314500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314500 0 0 0 0 0 0 0 0 0 TIMING: 314500 CPU: 1253.24, 0.00397803/step Wall: 1253.24, 0.00397803/step, 0.204979 hours remaining, 109.511719 MB of memory in use. ENERGY: 314500 632.7601 1913.6506 2004.4173 105.1227 -16.3716 -1050.9744 147.4793 0.0000 2716.4632 6452.5471 300.0409 3736.0839 6485.1210 298.7054 PRESSURE: 314600 0 0 0 0 0 0 0 0 0 GPRESSURE: 314600 0 0 0 0 0 0 0 0 0 PRESSAVG: 314600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314600 0 0 0 0 0 0 0 0 0 TIMING: 314600 CPU: 1253.64, 0.00398375/step Wall: 1253.64, 0.00398375/step, 0.205163 hours remaining, 109.511719 MB of memory in use. ENERGY: 314600 647.6786 1830.9685 2027.0040 97.8061 -14.9742 -1040.7852 184.5992 0.0000 2737.8081 6470.1051 302.3985 3732.2970 6506.8314 297.5781 PRESSURE: 314700 0 0 0 0 0 0 0 0 0 GPRESSURE: 314700 0 0 0 0 0 0 0 0 0 PRESSAVG: 314700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314700 0 0 0 0 0 0 0 0 0 TIMING: 314700 CPU: 1254.04, 0.0039749/step Wall: 1254.04, 0.0039749/step, 0.204597 hours remaining, 109.511719 MB of memory in use. ENERGY: 314700 609.3037 1904.9817 2008.2890 98.6673 -13.7963 -1017.9132 168.4366 0.0000 2755.3359 6513.3047 304.3345 3757.9687 6548.5083 299.9242 PRESSURE: 314800 0 0 0 0 0 0 0 0 0 GPRESSURE: 314800 0 0 0 0 0 0 0 0 0 PRESSAVG: 314800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314800 0 0 0 0 0 0 0 0 0 TIMING: 314800 CPU: 1254.44, 0.00398516/step Wall: 1254.44, 0.00398515/step, 0.205014 hours remaining, 109.511719 MB of memory in use. ENERGY: 314800 678.3577 1859.0141 2009.1829 102.3982 -14.5769 -1048.0564 166.0629 0.0000 2757.2455 6509.6279 304.5454 3752.3824 6543.9415 300.6395 PRESSURE: 314900 0 0 0 0 0 0 0 0 0 GPRESSURE: 314900 0 0 0 0 0 0 0 0 0 PRESSAVG: 314900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 314900 0 0 0 0 0 0 0 0 0 TIMING: 314900 CPU: 1254.84, 0.00397448/step Wall: 1254.84, 0.00397449/step, 0.204355 hours remaining, 109.511719 MB of memory in use. ENERGY: 314900 623.5632 1857.3847 2008.6711 107.5685 -14.6043 -993.0837 151.4218 0.0000 2754.0331 6494.9544 304.1906 3740.9213 6528.4056 301.0128 PRESSURE: 315000 0 0 0 0 0 0 0 0 0 GPRESSURE: 315000 0 0 0 0 0 0 0 0 0 PRESSAVG: 315000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315000 0 0 0 0 0 0 0 0 0 TIMING: 315000 CPU: 1255.23, 0.00397679/step Wall: 1255.23, 0.00397679/step, 0.204363 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 315000 620.7531 1956.9411 1973.2960 112.5536 -14.0858 -1056.6332 158.7862 0.0000 2734.1429 6485.7539 301.9937 3751.6110 6519.2267 301.0662 PRESSURE: 315100 0 0 0 0 0 0 0 0 0 GPRESSURE: 315100 0 0 0 0 0 0 0 0 0 PRESSAVG: 315100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315100 0 0 0 0 0 0 0 0 0 TIMING: 315100 CPU: 1255.63, 0.00398577/step Wall: 1255.63, 0.00398577/step, 0.204714 hours remaining, 109.511719 MB of memory in use. ENERGY: 315100 637.0471 1891.0267 2012.5899 94.0959 -13.8612 -1072.1719 171.1770 0.0000 2780.6914 6500.5950 307.1351 3719.9035 6535.5467 301.3922 PRESSURE: 315200 0 0 0 0 0 0 0 0 0 GPRESSURE: 315200 0 0 0 0 0 0 0 0 0 PRESSAVG: 315200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315200 0 0 0 0 0 0 0 0 0 TIMING: 315200 CPU: 1256.03, 0.00397596/step Wall: 1256.03, 0.00397596/step, 0.204099 hours remaining, 109.511719 MB of memory in use. ENERGY: 315200 648.5852 1879.4875 1988.8680 99.9313 -14.8828 -1015.2667 156.5897 0.0000 2729.0684 6472.3807 301.4332 3743.3122 6505.0634 300.8200 PRESSURE: 315300 0 0 0 0 0 0 0 0 0 GPRESSURE: 315300 0 0 0 0 0 0 0 0 0 PRESSAVG: 315300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315300 0 0 0 0 0 0 0 0 0 TIMING: 315300 CPU: 1256.43, 0.00398579/step Wall: 1256.43, 0.00398579/step, 0.204493 hours remaining, 109.511719 MB of memory in use. ENERGY: 315300 634.3656 1881.7179 2028.3943 94.5913 -14.3204 -1028.0410 155.4184 0.0000 2731.3701 6483.4962 301.6874 3752.1261 6518.2624 300.1872 PRESSURE: 315400 0 0 0 0 0 0 0 0 0 GPRESSURE: 315400 0 0 0 0 0 0 0 0 0 PRESSAVG: 315400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315400 0 0 0 0 0 0 0 0 0 TIMING: 315400 CPU: 1256.83, 0.00397661/step Wall: 1256.83, 0.00397661/step, 0.203912 hours remaining, 109.511719 MB of memory in use. ENERGY: 315400 626.1094 1900.1473 2022.7501 113.1759 -13.9131 -1051.9988 165.4589 0.0000 2718.2055 6479.9352 300.2334 3761.7296 6515.5751 301.3019 PRESSURE: 315500 0 0 0 0 0 0 0 0 0 GPRESSURE: 315500 0 0 0 0 0 0 0 0 0 PRESSAVG: 315500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315500 0 0 0 0 0 0 0 0 0 TIMING: 315500 CPU: 1257.22, 0.00397709/step Wall: 1257.22, 0.00397709/step, 0.203826 hours remaining, 109.511719 MB of memory in use. ENERGY: 315500 669.5182 1919.6284 2017.0542 100.2310 -13.9680 -1047.3780 171.0495 0.0000 2720.0183 6536.1536 300.4336 3816.1353 6566.2765 301.9780 PRESSURE: 315600 0 0 0 0 0 0 0 0 0 GPRESSURE: 315600 0 0 0 0 0 0 0 0 0 PRESSAVG: 315600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315600 0 0 0 0 0 0 0 0 0 TIMING: 315600 CPU: 1257.62, 0.0039881/step Wall: 1257.62, 0.0039881/step, 0.204279 hours remaining, 109.511719 MB of memory in use. ENERGY: 315600 627.7912 1920.3031 2031.6269 104.8754 -15.2662 -1032.8543 160.3369 0.0000 2750.6563 6547.4693 303.8176 3796.8131 6579.4788 303.0756 PRESSURE: 315700 0 0 0 0 0 0 0 0 0 GPRESSURE: 315700 0 0 0 0 0 0 0 0 0 PRESSAVG: 315700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315700 0 0 0 0 0 0 0 0 0 TIMING: 315700 CPU: 1258.02, 0.00397418/step Wall: 1258.02, 0.00397418/step, 0.203456 hours remaining, 109.511719 MB of memory in use. ENERGY: 315700 636.0725 1903.1368 2047.6785 117.5184 -14.4296 -1057.9998 161.2463 0.0000 2747.7462 6540.9693 303.4962 3793.2231 6573.7476 303.0204 PRESSURE: 315800 0 0 0 0 0 0 0 0 0 GPRESSURE: 315800 0 0 0 0 0 0 0 0 0 PRESSAVG: 315800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315800 0 0 0 0 0 0 0 0 0 TIMING: 315800 CPU: 1258.42, 0.00398552/step Wall: 1258.42, 0.00398552/step, 0.203926 hours remaining, 109.511719 MB of memory in use. ENERGY: 315800 680.3300 1899.9133 2028.5502 117.5650 -15.2392 -1008.1670 164.2619 0.0000 2658.1526 6525.3670 293.6004 3867.2143 6559.1364 304.3414 PRESSURE: 315900 0 0 0 0 0 0 0 0 0 GPRESSURE: 315900 0 0 0 0 0 0 0 0 0 PRESSAVG: 315900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 315900 0 0 0 0 0 0 0 0 0 TIMING: 315900 CPU: 1258.82, 0.00397198/step Wall: 1258.82, 0.00397198/step, 0.203123 hours remaining, 109.511719 MB of memory in use. ENERGY: 315900 615.1347 1897.3442 2033.3933 117.9199 -14.6470 -1012.5743 173.6365 0.0000 2677.3352 6487.5425 295.7191 3810.2073 6520.1304 300.7184 PRESSURE: 316000 0 0 0 0 0 0 0 0 0 GPRESSURE: 316000 0 0 0 0 0 0 0 0 0 PRESSAVG: 316000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316000 0 0 0 0 0 0 0 0 0 TIMING: 316000 CPU: 1259.21, 0.00397389/step Wall: 1259.21, 0.00397389/step, 0.20311 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 316000 660.5374 1895.5305 2016.2371 113.7126 -13.1941 -1059.2725 164.7196 0.0000 2729.3399 6507.6104 301.4632 3778.2705 6540.2012 300.5831 PRESSURE: 316100 0 0 0 0 0 0 0 0 0 GPRESSURE: 316100 0 0 0 0 0 0 0 0 0 PRESSAVG: 316100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316100 0 0 0 0 0 0 0 0 0 TIMING: 316100 CPU: 1259.61, 0.00398546/step Wall: 1259.61, 0.00398546/step, 0.203591 hours remaining, 109.511719 MB of memory in use. ENERGY: 316100 647.3472 1873.1992 2029.1426 102.6965 -13.2996 -1048.9606 162.0412 0.0000 2740.3677 6492.5341 302.6812 3752.1664 6528.4302 301.4471 PRESSURE: 316200 0 0 0 0 0 0 0 0 0 GPRESSURE: 316200 0 0 0 0 0 0 0 0 0 PRESSAVG: 316200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316200 0 0 0 0 0 0 0 0 0 TIMING: 316200 CPU: 1260.01, 0.00397626/step Wall: 1260.01, 0.00397626/step, 0.20301 hours remaining, 109.511719 MB of memory in use. ENERGY: 316200 658.6197 1898.9376 2025.8674 107.6727 -13.2506 -1054.6936 179.5909 0.0000 2704.2010 6506.9452 298.6865 3802.7442 6538.8159 301.1427 LDB: ============= START OF LOAD BALANCING ============== 1262.78 LDB: ============== END OF LOAD BALANCING =============== 1262.78 LDB: =============== DONE WITH MIGRATION ================ 1262.78 PRESSURE: 316300 0 0 0 0 0 0 0 0 0 GPRESSURE: 316300 0 0 0 0 0 0 0 0 0 PRESSAVG: 316300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316300 0 0 0 0 0 0 0 0 0 TIMING: 316300 CPU: 1260.41, 0.00398482/step Wall: 1260.41, 0.00398482/step, 0.203337 hours remaining, 109.511719 MB of memory in use. ENERGY: 316300 635.0198 1898.0017 2021.9739 112.4598 -14.6718 -1008.8287 150.9452 0.0000 2707.1645 6502.0644 299.0139 3794.8999 6534.4142 300.8129 LDB: ============= START OF LOAD BALANCING ============== 1263.18 LDB: ============== END OF LOAD BALANCING =============== 1263.18 LDB: =============== DONE WITH MIGRATION ================ 1263.18 PRESSURE: 316400 0 0 0 0 0 0 0 0 0 GPRESSURE: 316400 0 0 0 0 0 0 0 0 0 PRESSAVG: 316400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316400 0 0 0 0 0 0 0 0 0 TIMING: 316400 CPU: 1260.81, 0.00398368/step Wall: 1260.81, 0.00398368/step, 0.203168 hours remaining, 109.511719 MB of memory in use. ENERGY: 316400 646.2593 1911.4936 2017.7004 102.3968 -13.2885 -1040.8527 164.1383 0.0000 2724.0830 6511.9302 300.8826 3787.8471 6545.0714 300.3316 PRESSURE: 316500 0 0 0 0 0 0 0 0 0 GPRESSURE: 316500 0 0 0 0 0 0 0 0 0 PRESSAVG: 316500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316500 0 0 0 0 0 0 0 0 0 TIMING: 316500 CPU: 1261.2, 0.00397654/step Wall: 1261.2, 0.00397654/step, 0.202693 hours remaining, 109.511719 MB of memory in use. ENERGY: 316500 651.7939 1966.5598 2022.4698 97.6008 -13.9019 -1045.4012 148.3078 0.0000 2688.2746 6515.7036 296.9274 3827.4290 6546.4858 300.9989 PRESSURE: 316600 0 0 0 0 0 0 0 0 0 GPRESSURE: 316600 0 0 0 0 0 0 0 0 0 PRESSAVG: 316600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316600 0 0 0 0 0 0 0 0 0 TIMING: 316600 CPU: 1261.6, 0.00398567/step Wall: 1261.6, 0.00398567/step, 0.203048 hours remaining, 109.511719 MB of memory in use. ENERGY: 316600 681.7007 1898.1578 1996.8201 113.7321 -14.4457 -1038.1737 166.9484 0.0000 2717.2744 6522.0140 300.1305 3804.7397 6554.2612 302.5721 PRESSURE: 316700 0 0 0 0 0 0 0 0 0 GPRESSURE: 316700 0 0 0 0 0 0 0 0 0 PRESSAVG: 316700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316700 0 0 0 0 0 0 0 0 0 TIMING: 316700 CPU: 1262, 0.00397276/step Wall: 1262, 0.00397276/step, 0.20228 hours remaining, 109.511719 MB of memory in use. ENERGY: 316700 640.5651 1902.1423 2016.9535 113.0405 -13.2581 -1075.2457 162.9642 0.0000 2752.5332 6499.6949 304.0250 3747.1617 6533.5056 302.1708 PRESSURE: 316800 0 0 0 0 0 0 0 0 0 GPRESSURE: 316800 0 0 0 0 0 0 0 0 0 PRESSAVG: 316800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316800 0 0 0 0 0 0 0 0 0 TIMING: 316800 CPU: 1262.4, 0.00397546/step Wall: 1262.4, 0.00397546/step, 0.202307 hours remaining, 109.511719 MB of memory in use. ENERGY: 316800 645.5851 1902.2145 2008.4739 106.9355 -13.9128 -1022.2311 155.9721 0.0000 2675.3448 6458.3820 295.4993 3783.0373 6490.1387 299.3992 PRESSURE: 316900 0 0 0 0 0 0 0 0 0 GPRESSURE: 316900 0 0 0 0 0 0 0 0 0 PRESSAVG: 316900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 316900 0 0 0 0 0 0 0 0 0 TIMING: 316900 CPU: 1262.8, 0.00398266/step Wall: 1262.8, 0.00398266/step, 0.202562 hours remaining, 109.511719 MB of memory in use. ENERGY: 316900 668.6453 1897.7780 2025.1352 102.0099 -14.1948 -1067.8476 170.0498 0.0000 2687.8135 6469.3891 296.8765 3781.5756 6500.3991 299.6506 PRESSURE: 317000 0 0 0 0 0 0 0 0 0 GPRESSURE: 317000 0 0 0 0 0 0 0 0 0 PRESSAVG: 317000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317000 0 0 0 0 0 0 0 0 0 TIMING: 317000 CPU: 1263.19, 0.00397371/step Wall: 1263.19, 0.00397371/step, 0.201997 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 317000 664.6777 1902.7671 1997.8450 109.8348 -14.5613 -1021.8438 163.2658 0.0000 2682.9558 6484.9411 296.3399 3801.9854 6518.2670 300.2931 PRESSURE: 317100 0 0 0 0 0 0 0 0 0 GPRESSURE: 317100 0 0 0 0 0 0 0 0 0 PRESSAVG: 317100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317100 0 0 0 0 0 0 0 0 0 TIMING: 317100 CPU: 1263.59, 0.00398714/step Wall: 1263.59, 0.00398714/step, 0.202569 hours remaining, 109.511719 MB of memory in use. ENERGY: 317100 637.0567 1929.2797 2006.7594 96.7893 -15.0727 -1035.5547 161.9671 0.0000 2745.2731 6526.4979 303.2231 3781.2248 6560.3446 300.7321 PRESSURE: 317200 0 0 0 0 0 0 0 0 0 GPRESSURE: 317200 0 0 0 0 0 0 0 0 0 PRESSAVG: 317200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317200 0 0 0 0 0 0 0 0 0 TIMING: 317200 CPU: 1263.99, 0.00397684/step Wall: 1263.99, 0.00397684/step, 0.201935 hours remaining, 109.511719 MB of memory in use. ENERGY: 317200 639.5264 1881.8849 2027.7732 118.8169 -14.8391 -1018.1799 161.1734 0.0000 2750.3968 6546.5526 303.7890 3796.1558 6581.0536 303.6575 PRESSURE: 317300 0 0 0 0 0 0 0 0 0 GPRESSURE: 317300 0 0 0 0 0 0 0 0 0 PRESSAVG: 317300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317300 0 0 0 0 0 0 0 0 0 TIMING: 317300 CPU: 1264.39, 0.00397445/step Wall: 1264.39, 0.00397445/step, 0.201703 hours remaining, 109.511719 MB of memory in use. ENERGY: 317300 632.5942 1898.0380 2005.2556 106.0849 -14.5456 -1054.0147 151.0197 0.0000 2817.6897 6542.1218 311.2217 3724.4321 6575.7286 303.5869 PRESSURE: 317400 0 0 0 0 0 0 0 0 0 GPRESSURE: 317400 0 0 0 0 0 0 0 0 0 PRESSAVG: 317400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317400 0 0 0 0 0 0 0 0 0 TIMING: 317400 CPU: 1264.78, 0.0039827/step Wall: 1264.78, 0.0039827/step, 0.202011 hours remaining, 109.511719 MB of memory in use. ENERGY: 317400 640.6139 1910.6900 2034.6800 105.9615 -13.8635 -1044.7552 161.4857 0.0000 2739.5332 6534.3457 302.5891 3794.8125 6568.0493 302.8407 PRESSURE: 317500 0 0 0 0 0 0 0 0 0 GPRESSURE: 317500 0 0 0 0 0 0 0 0 0 PRESSAVG: 317500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317500 0 0 0 0 0 0 0 0 0 TIMING: 317500 CPU: 1265.18, 0.00397464/step Wall: 1265.18, 0.00397464/step, 0.201492 hours remaining, 109.511719 MB of memory in use. ENERGY: 317500 666.5363 1948.0735 2021.3836 107.6915 -14.0403 -1074.4856 164.1071 0.0000 2721.5424 6540.8086 300.6019 3819.2662 6572.4996 302.6257 PRESSURE: 317600 0 0 0 0 0 0 0 0 0 GPRESSURE: 317600 0 0 0 0 0 0 0 0 0 PRESSAVG: 317600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317600 0 0 0 0 0 0 0 0 0 TIMING: 317600 CPU: 1265.58, 0.00398748/step Wall: 1265.58, 0.00398748/step, 0.202032 hours remaining, 109.511719 MB of memory in use. ENERGY: 317600 680.2476 1872.0533 2022.7285 127.6706 -14.2198 -1036.1756 160.4676 0.0000 2733.5629 6546.3352 301.9296 3812.7723 6579.0071 304.7513 PRESSURE: 317700 0 0 0 0 0 0 0 0 0 GPRESSURE: 317700 0 0 0 0 0 0 0 0 0 PRESSAVG: 317700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317700 0 0 0 0 0 0 0 0 0 TIMING: 317700 CPU: 1265.98, 0.00397495/step Wall: 1265.98, 0.00397495/step, 0.201287 hours remaining, 109.511719 MB of memory in use. ENERGY: 317700 648.4324 1925.4691 2017.6264 103.5812 -15.2519 -1044.2391 172.8448 0.0000 2767.2534 6575.7164 305.6508 3808.4630 6608.5282 303.8531 PRESSURE: 317800 0 0 0 0 0 0 0 0 0 GPRESSURE: 317800 0 0 0 0 0 0 0 0 0 PRESSAVG: 317800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317800 0 0 0 0 0 0 0 0 0 TIMING: 317800 CPU: 1266.38, 0.00397754/step Wall: 1266.38, 0.00397754/step, 0.201308 hours remaining, 109.511719 MB of memory in use. ENERGY: 317800 663.3933 1960.1379 2005.3201 106.1948 -14.9865 -1045.7011 156.5337 0.0000 2709.7715 6540.6637 299.3018 3830.8922 6571.1312 303.9306 PRESSURE: 317900 0 0 0 0 0 0 0 0 0 GPRESSURE: 317900 0 0 0 0 0 0 0 0 0 PRESSAVG: 317900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 317900 0 0 0 0 0 0 0 0 0 TIMING: 317900 CPU: 1266.77, 0.00398059/step Wall: 1266.77, 0.00398059/step, 0.201352 hours remaining, 109.511719 MB of memory in use. ENERGY: 317900 642.6803 1944.7798 2040.0592 103.5848 -15.1549 -1029.9454 160.6255 0.0000 2654.0861 6500.7155 293.1512 3846.6294 6531.8505 302.4729 PRESSURE: 318000 0 0 0 0 0 0 0 0 0 GPRESSURE: 318000 0 0 0 0 0 0 0 0 0 PRESSAVG: 318000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318000 0 0 0 0 0 0 0 0 0 TIMING: 318000 CPU: 1267.17, 0.00397397/step Wall: 1267.17, 0.00397397/step, 0.200906 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 318000 677.4280 1920.3276 1998.7876 112.4423 -15.6303 -1078.9032 172.2818 0.0000 2715.1035 6501.8371 299.8907 3786.7337 6535.8110 301.2964 PRESSURE: 318100 0 0 0 0 0 0 0 0 0 GPRESSURE: 318100 0 0 0 0 0 0 0 0 0 PRESSAVG: 318100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318100 0 0 0 0 0 0 0 0 0 TIMING: 318100 CPU: 1267.57, 0.00398426/step Wall: 1267.57, 0.00398426/step, 0.201316 hours remaining, 109.511719 MB of memory in use. ENERGY: 318100 647.3527 1848.2866 2021.3417 111.7329 -14.3588 -1051.5825 179.6195 0.0000 2758.9163 6501.3084 304.7300 3742.3921 6535.4949 302.2480 PRESSURE: 318200 0 0 0 0 0 0 0 0 0 GPRESSURE: 318200 0 0 0 0 0 0 0 0 0 PRESSAVG: 318200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318200 0 0 0 0 0 0 0 0 0 TIMING: 318200 CPU: 1267.97, 0.00397661/step Wall: 1267.97, 0.00397661/step, 0.200819 hours remaining, 109.511719 MB of memory in use. ENERGY: 318200 652.3597 1915.6349 2019.5785 108.4480 -13.3849 -1064.7473 148.9087 0.0000 2744.7366 6511.5343 303.1638 3766.7978 6542.4473 301.0398 PRESSURE: 318300 0 0 0 0 0 0 0 0 0 GPRESSURE: 318300 0 0 0 0 0 0 0 0 0 PRESSAVG: 318300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318300 0 0 0 0 0 0 0 0 0 TIMING: 318300 CPU: 1268.37, 0.0039786/step Wall: 1268.37, 0.0039786/step, 0.200809 hours remaining, 109.511719 MB of memory in use. ENERGY: 318300 640.1938 1871.1496 2019.3479 111.1174 -14.9796 -1025.2294 167.4101 0.0000 2764.9503 6533.9601 305.3965 3769.0097 6565.8642 302.4915 PRESSURE: 318400 0 0 0 0 0 0 0 0 0 GPRESSURE: 318400 0 0 0 0 0 0 0 0 0 PRESSAVG: 318400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318400 0 0 0 0 0 0 0 0 0 TIMING: 318400 CPU: 1268.76, 0.00398225/step Wall: 1268.76, 0.00398225/step, 0.200882 hours remaining, 109.511719 MB of memory in use. ENERGY: 318400 625.5844 1877.1449 2015.8082 106.1267 -14.5105 -1020.6629 184.2317 0.0000 2754.1363 6527.8589 304.2020 3773.7226 6562.4438 302.9669 PRESSURE: 318500 0 0 0 0 0 0 0 0 0 GPRESSURE: 318500 0 0 0 0 0 0 0 0 0 PRESSAVG: 318500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318500 0 0 0 0 0 0 0 0 0 TIMING: 318500 CPU: 1269.16, 0.00397428/step Wall: 1269.16, 0.00397428/step, 0.20037 hours remaining, 109.511719 MB of memory in use. ENERGY: 318500 674.1251 1870.7477 1987.4082 99.7617 -14.8093 -1023.8934 166.6663 0.0000 2805.1761 6565.1823 309.8395 3760.0063 6599.4193 303.2575 PRESSURE: 318600 0 0 0 0 0 0 0 0 0 GPRESSURE: 318600 0 0 0 0 0 0 0 0 0 PRESSAVG: 318600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318600 0 0 0 0 0 0 0 0 0 TIMING: 318600 CPU: 1269.56, 0.00398594/step Wall: 1269.56, 0.00398594/step, 0.200847 hours remaining, 109.511719 MB of memory in use. ENERGY: 318600 738.2775 1889.8574 2005.8592 98.3714 -15.0949 -1044.8136 167.9253 0.0000 2721.0556 6561.4380 300.5482 3840.3824 6593.5471 305.6022 PRESSURE: 318700 0 0 0 0 0 0 0 0 0 GPRESSURE: 318700 0 0 0 0 0 0 0 0 0 PRESSAVG: 318700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318700 0 0 0 0 0 0 0 0 0 TIMING: 318700 CPU: 1269.96, 0.00397616/step Wall: 1269.96, 0.00397616/step, 0.200244 hours remaining, 109.511719 MB of memory in use. ENERGY: 318700 631.2814 1857.5940 2031.2908 103.5534 -13.6366 -1043.0806 170.2665 0.0000 2793.0616 6530.3304 308.5014 3737.2689 6565.7568 302.6807 PRESSURE: 318800 0 0 0 0 0 0 0 0 0 GPRESSURE: 318800 0 0 0 0 0 0 0 0 0 PRESSAVG: 318800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318800 0 0 0 0 0 0 0 0 0 TIMING: 318800 CPU: 1270.35, 0.00397439/step Wall: 1270.35, 0.00397439/step, 0.200044 hours remaining, 109.511719 MB of memory in use. ENERGY: 318800 664.2287 1863.2602 2038.9378 104.6133 -13.9579 -1023.2063 170.3787 0.0000 2738.0493 6542.3039 302.4252 3804.2546 6573.6921 302.8709 PRESSURE: 318900 0 0 0 0 0 0 0 0 0 GPRESSURE: 318900 0 0 0 0 0 0 0 0 0 PRESSAVG: 318900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 318900 0 0 0 0 0 0 0 0 0 TIMING: 318900 CPU: 1270.76, 0.00400202/step Wall: 1270.76, 0.00400202/step, 0.201324 hours remaining, 109.511719 MB of memory in use. ENERGY: 318900 688.0007 1896.3626 2019.5478 106.2750 -14.3395 -1039.7755 164.4329 0.0000 2685.4370 6505.9411 296.6140 3820.5041 6539.2709 302.7966 PRESSURE: 319000 0 0 0 0 0 0 0 0 0 GPRESSURE: 319000 0 0 0 0 0 0 0 0 0 PRESSAVG: 319000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319000 0 0 0 0 0 0 0 0 0 TIMING: 319000 CPU: 1271.15, 0.0039724/step Wall: 1271.15, 0.0039724/step, 0.199724 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 319000 658.0374 1867.7352 2019.1861 95.7068 -14.8473 -1061.4609 171.3012 0.0000 2779.6311 6515.2896 307.0180 3735.6585 6550.0128 302.0180 PRESSURE: 319100 0 0 0 0 0 0 0 0 0 GPRESSURE: 319100 0 0 0 0 0 0 0 0 0 PRESSAVG: 319100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319100 0 0 0 0 0 0 0 0 0 TIMING: 319100 CPU: 1271.59, 0.004334/step Wall: 1271.59, 0.004334/step, 0.217783 hours remaining, 109.511719 MB of memory in use. ENERGY: 319100 700.5909 1856.0613 2026.9535 100.6802 -14.2833 -1066.0904 153.6505 0.0000 2710.8196 6468.3823 299.4176 3757.5627 6500.1811 300.3620 PRESSURE: 319200 0 0 0 0 0 0 0 0 0 GPRESSURE: 319200 0 0 0 0 0 0 0 0 0 PRESSAVG: 319200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319200 0 0 0 0 0 0 0 0 0 TIMING: 319200 CPU: 1271.98, 0.00397525/step Wall: 1271.98, 0.00397525/step, 0.199646 hours remaining, 109.511719 MB of memory in use. ENERGY: 319200 637.6685 1913.6796 2039.4131 112.3191 -15.3685 -1037.4700 169.9280 0.0000 2663.2060 6483.3758 294.1585 3820.1698 6511.5533 299.6911 PRESSURE: 319300 0 0 0 0 0 0 0 0 0 GPRESSURE: 319300 0 0 0 0 0 0 0 0 0 PRESSAVG: 319300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319300 0 0 0 0 0 0 0 0 0 TIMING: 319300 CPU: 1272.38, 0.00397902/step Wall: 1272.38, 0.00397902/step, 0.199725 hours remaining, 109.511719 MB of memory in use. ENERGY: 319300 603.0788 1938.5684 2018.3112 106.7696 -15.4198 -1044.1092 158.6767 0.0000 2722.7921 6488.6678 300.7400 3765.8757 6521.2202 300.1464 PRESSURE: 319400 0 0 0 0 0 0 0 0 0 GPRESSURE: 319400 0 0 0 0 0 0 0 0 0 PRESSAVG: 319400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319400 0 0 0 0 0 0 0 0 0 TIMING: 319400 CPU: 1272.78, 0.00397879/step Wall: 1272.78, 0.00397879/step, 0.199603 hours remaining, 109.511719 MB of memory in use. ENERGY: 319400 632.4636 1880.2735 2034.1366 105.2194 -14.2964 -1039.8021 170.7803 0.0000 2751.1152 6519.8901 303.8683 3768.7749 6552.0861 301.2064 PRESSURE: 319500 0 0 0 0 0 0 0 0 0 GPRESSURE: 319500 0 0 0 0 0 0 0 0 0 PRESSAVG: 319500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319500 0 0 0 0 0 0 0 0 0 TIMING: 319500 CPU: 1273.18, 0.00397694/step Wall: 1273.18, 0.00397694/step, 0.199399 hours remaining, 109.511719 MB of memory in use. ENERGY: 319500 643.6239 1925.7811 1980.0069 110.5794 -14.6258 -1038.8488 161.5985 0.0000 2747.5916 6515.7069 303.4791 3768.1153 6547.0053 301.6528 PRESSURE: 319600 0 0 0 0 0 0 0 0 0 GPRESSURE: 319600 0 0 0 0 0 0 0 0 0 PRESSAVG: 319600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319600 0 0 0 0 0 0 0 0 0 TIMING: 319600 CPU: 1273.57, 0.0039787/step Wall: 1273.57, 0.0039787/step, 0.199377 hours remaining, 109.511719 MB of memory in use. ENERGY: 319600 648.3086 1889.8691 2022.0306 93.0242 -13.0787 -1071.9022 187.7345 0.0000 2763.3429 6519.3289 305.2189 3755.9860 6554.0560 302.0297 PRESSURE: 319700 0 0 0 0 0 0 0 0 0 GPRESSURE: 319700 0 0 0 0 0 0 0 0 0 PRESSAVG: 319700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319700 0 0 0 0 0 0 0 0 0 TIMING: 319700 CPU: 1273.97, 0.00397976/step Wall: 1273.97, 0.00397976/step, 0.19932 hours remaining, 109.511719 MB of memory in use. ENERGY: 319700 643.1414 1870.1180 2004.0607 105.8313 -15.2106 -1031.9823 166.7048 0.0000 2748.7983 6491.4615 303.6124 3742.6632 6525.7412 302.0477 PRESSURE: 319800 0 0 0 0 0 0 0 0 0 GPRESSURE: 319800 0 0 0 0 0 0 0 0 0 PRESSAVG: 319800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319800 0 0 0 0 0 0 0 0 0 TIMING: 319800 CPU: 1274.37, 0.00397755/step Wall: 1274.37, 0.00397755/step, 0.199098 hours remaining, 109.511719 MB of memory in use. ENERGY: 319800 630.6409 1901.5255 2019.5264 114.4254 -15.0880 -1022.3432 169.0635 0.0000 2676.4451 6474.1957 295.6208 3797.7506 6506.1150 299.8260 PRESSURE: 319900 0 0 0 0 0 0 0 0 0 GPRESSURE: 319900 0 0 0 0 0 0 0 0 0 PRESSAVG: 319900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 319900 0 0 0 0 0 0 0 0 0 TIMING: 319900 CPU: 1274.77, 0.00397846/step Wall: 1274.77, 0.00397846/step, 0.199034 hours remaining, 109.511719 MB of memory in use. ENERGY: 319900 654.9217 1901.8494 2022.8366 105.4838 -15.4337 -1069.3382 186.7547 0.0000 2675.9296 6463.0039 295.5639 3787.0743 6494.7136 299.7633 PRESSURE: 320000 0 0 0 0 0 0 0 0 0 GPRESSURE: 320000 0 0 0 0 0 0 0 0 0 PRESSAVG: 320000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320000 0 0 0 0 0 0 0 0 0 TIMING: 320000 CPU: 1275.17, 0.00397929/step Wall: 1275.17, 0.00397929/step, 0.198964 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 320000 652.9782 1887.8900 2029.9165 106.6319 -14.6418 -1055.1330 151.2450 0.0000 2714.1265 6473.0133 299.7828 3758.8868 6507.2614 299.8577 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 320000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 320000 WRITING COORDINATES TO RESTART FILE AT STEP 320000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 320000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 320100 0 0 0 0 0 0 0 0 0 GPRESSURE: 320100 0 0 0 0 0 0 0 0 0 PRESSAVG: 320100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320100 0 0 0 0 0 0 0 0 0 TIMING: 320100 CPU: 1275.63, 0.0046391/step Wall: 1275.63, 0.0046391/step, 0.231826 hours remaining, 109.511719 MB of memory in use. ENERGY: 320100 642.0774 1879.8158 2015.2199 103.2091 -13.6347 -1013.6577 168.4780 0.0000 2679.5420 6461.0499 295.9629 3781.5079 6492.5729 299.5074 PRESSURE: 320200 0 0 0 0 0 0 0 0 0 GPRESSURE: 320200 0 0 0 0 0 0 0 0 0 PRESSAVG: 320200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320200 0 0 0 0 0 0 0 0 0 TIMING: 320200 CPU: 1276.04, 0.00412466/step Wall: 1276.04, 0.00412466/step, 0.206004 hours remaining, 109.511719 MB of memory in use. ENERGY: 320200 688.1902 1886.5392 2009.3828 108.1010 -15.2521 -1076.3771 161.3712 0.0000 2689.6283 6451.5835 297.0769 3761.9551 6484.8323 299.8861 LDB: ============= START OF LOAD BALANCING ============== 1278.82 LDB: ============== END OF LOAD BALANCING =============== 1278.82 LDB: =============== DONE WITH MIGRATION ================ 1278.82 PRESSURE: 320300 0 0 0 0 0 0 0 0 0 GPRESSURE: 320300 0 0 0 0 0 0 0 0 0 PRESSAVG: 320300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320300 0 0 0 0 0 0 0 0 0 TIMING: 320300 CPU: 1276.44, 0.00398328/step Wall: 1276.44, 0.00398328/step, 0.198832 hours remaining, 109.511719 MB of memory in use. ENERGY: 320300 649.6966 1864.6633 1985.4121 124.7504 -14.7770 -1028.9663 173.8533 0.0000 2711.5675 6466.2000 299.5002 3754.6325 6501.4970 298.6178 LDB: ============= START OF LOAD BALANCING ============== 1279.22 LDB: ============== END OF LOAD BALANCING =============== 1279.22 LDB: =============== DONE WITH MIGRATION ================ 1279.22 PRESSURE: 320400 0 0 0 0 0 0 0 0 0 GPRESSURE: 320400 0 0 0 0 0 0 0 0 0 PRESSAVG: 320400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320400 0 0 0 0 0 0 0 0 0 TIMING: 320400 CPU: 1276.84, 0.00398873/step Wall: 1276.84, 0.00398873/step, 0.198993 hours remaining, 109.511719 MB of memory in use. ENERGY: 320400 639.4000 1869.1814 1995.7187 97.2184 -13.9424 -1063.8271 176.1051 0.0000 2760.3069 6460.1609 304.8836 3699.8541 6495.7144 299.5400 PRESSURE: 320500 0 0 0 0 0 0 0 0 0 GPRESSURE: 320500 0 0 0 0 0 0 0 0 0 PRESSAVG: 320500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320500 0 0 0 0 0 0 0 0 0 TIMING: 320500 CPU: 1277.24, 0.00397517/step Wall: 1277.24, 0.00397517/step, 0.198206 hours remaining, 109.511719 MB of memory in use. ENERGY: 320500 658.1878 1916.2346 1985.7412 108.4988 -14.2592 -1065.4394 163.7777 0.0000 2693.3433 6446.0849 297.4873 3752.7416 6479.1049 297.9357 PRESSURE: 320600 0 0 0 0 0 0 0 0 0 GPRESSURE: 320600 0 0 0 0 0 0 0 0 0 PRESSAVG: 320600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320600 0 0 0 0 0 0 0 0 0 TIMING: 320600 CPU: 1277.64, 0.00397969/step Wall: 1277.64, 0.00397969/step, 0.198321 hours remaining, 109.511719 MB of memory in use. ENERGY: 320600 673.1375 1898.3173 1995.6389 102.9157 -14.8870 -1059.8086 166.4491 0.0000 2681.5211 6443.2839 296.1815 3761.7628 6475.0849 298.6641 PRESSURE: 320700 0 0 0 0 0 0 0 0 0 GPRESSURE: 320700 0 0 0 0 0 0 0 0 0 PRESSAVG: 320700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320700 0 0 0 0 0 0 0 0 0 TIMING: 320700 CPU: 1278.03, 0.00397396/step Wall: 1278.03, 0.00397396/step, 0.197925 hours remaining, 109.511719 MB of memory in use. ENERGY: 320700 646.8554 1890.8782 1986.9718 98.9105 -15.4189 -1085.2170 176.1448 0.0000 2731.1151 6430.2398 301.6593 3699.1247 6462.5589 297.9431 PRESSURE: 320800 0 0 0 0 0 0 0 0 0 GPRESSURE: 320800 0 0 0 0 0 0 0 0 0 PRESSAVG: 320800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320800 0 0 0 0 0 0 0 0 0 TIMING: 320800 CPU: 1278.43, 0.00397427/step Wall: 1278.43, 0.00397427/step, 0.19783 hours remaining, 109.511719 MB of memory in use. ENERGY: 320800 670.8256 1881.3262 1993.6894 109.5667 -14.1665 -1048.3460 160.9210 0.0000 2658.4927 6412.3091 293.6379 3753.8164 6444.9728 296.1706 PRESSURE: 320900 0 0 0 0 0 0 0 0 0 GPRESSURE: 320900 0 0 0 0 0 0 0 0 0 PRESSAVG: 320900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 320900 0 0 0 0 0 0 0 0 0 TIMING: 320900 CPU: 1278.83, 0.00397876/step Wall: 1278.83, 0.00397876/step, 0.197943 hours remaining, 109.511719 MB of memory in use. ENERGY: 320900 636.7940 1924.7029 2008.3731 106.6272 -14.8240 -1055.3554 156.0253 0.0000 2638.8836 6401.2268 291.4720 3762.3432 6434.2421 296.3073 PRESSURE: 321000 0 0 0 0 0 0 0 0 0 GPRESSURE: 321000 0 0 0 0 0 0 0 0 0 PRESSAVG: 321000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321000 0 0 0 0 0 0 0 0 0 TIMING: 321000 CPU: 1279.23, 0.00397601/step Wall: 1279.23, 0.00397601/step, 0.197696 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 321000 615.8476 1788.7270 1997.8948 105.9932 -15.7914 -1023.6860 160.7650 0.0000 2753.8126 6383.5628 304.1663 3629.7501 6419.9279 295.5465 PRESSURE: 321100 0 0 0 0 0 0 0 0 0 GPRESSURE: 321100 0 0 0 0 0 0 0 0 0 PRESSAVG: 321100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321100 0 0 0 0 0 0 0 0 0 TIMING: 321100 CPU: 1279.62, 0.00398085/step Wall: 1279.62, 0.00398085/step, 0.197826 hours remaining, 109.511719 MB of memory in use. ENERGY: 321100 673.1269 1869.0596 1987.3033 121.4646 -15.8453 -1045.4023 152.9607 0.0000 2732.3827 6475.0502 301.7993 3742.6676 6508.2650 296.8438 PRESSURE: 321200 0 0 0 0 0 0 0 0 0 GPRESSURE: 321200 0 0 0 0 0 0 0 0 0 PRESSAVG: 321200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321200 0 0 0 0 0 0 0 0 0 TIMING: 321200 CPU: 1280.02, 0.00397476/step Wall: 1280.02, 0.00397476/step, 0.197413 hours remaining, 109.511719 MB of memory in use. ENERGY: 321200 669.1811 1887.9683 2024.6576 106.2479 -15.6041 -1057.9440 150.0195 0.0000 2712.1605 6476.6868 299.5657 3764.5263 6510.9106 301.6023 PRESSURE: 321300 0 0 0 0 0 0 0 0 0 GPRESSURE: 321300 0 0 0 0 0 0 0 0 0 PRESSAVG: 321300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321300 0 0 0 0 0 0 0 0 0 TIMING: 321300 CPU: 1280.42, 0.003979/step Wall: 1280.42, 0.003979/step, 0.197513 hours remaining, 109.511719 MB of memory in use. ENERGY: 321300 665.7456 1879.9913 2011.4355 96.2976 -16.3233 -1047.7172 165.5777 0.0000 2699.9292 6454.9364 298.2147 3755.0071 6488.4726 299.3616 PRESSURE: 321400 0 0 0 0 0 0 0 0 0 GPRESSURE: 321400 0 0 0 0 0 0 0 0 0 PRESSAVG: 321400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321400 0 0 0 0 0 0 0 0 0 TIMING: 321400 CPU: 1280.82, 0.00398001/step Wall: 1280.82, 0.00398001/step, 0.197453 hours remaining, 109.511719 MB of memory in use. ENERGY: 321400 640.4634 1885.8453 2019.3218 107.6240 -15.2015 -1022.0181 167.3578 0.0000 2668.4143 6451.8071 294.7338 3783.3927 6486.0428 298.0583 PRESSURE: 321500 0 0 0 0 0 0 0 0 0 GPRESSURE: 321500 0 0 0 0 0 0 0 0 0 PRESSAVG: 321500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321500 0 0 0 0 0 0 0 0 0 TIMING: 321500 CPU: 1281.21, 0.00397857/step Wall: 1281.21, 0.00397857/step, 0.197271 hours remaining, 109.511719 MB of memory in use. ENERGY: 321500 668.6552 1924.0564 2017.5952 99.8118 -15.5633 -1051.6813 173.9227 0.0000 2647.4748 6464.2715 292.4210 3816.7968 6492.5664 297.1340 PRESSURE: 321600 0 0 0 0 0 0 0 0 0 GPRESSURE: 321600 0 0 0 0 0 0 0 0 0 PRESSAVG: 321600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321600 0 0 0 0 0 0 0 0 0 TIMING: 321600 CPU: 1281.61, 0.00397834/step Wall: 1281.61, 0.00397834/step, 0.197149 hours remaining, 109.511719 MB of memory in use. ENERGY: 321600 625.3362 1862.3754 2043.5932 110.4603 -14.1916 -1047.7335 178.2029 0.0000 2697.3515 6455.3945 297.9300 3758.0430 6488.9033 299.3220 PRESSURE: 321700 0 0 0 0 0 0 0 0 0 GPRESSURE: 321700 0 0 0 0 0 0 0 0 0 PRESSAVG: 321700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321700 0 0 0 0 0 0 0 0 0 TIMING: 321700 CPU: 1282.01, 0.00397653/step Wall: 1282.01, 0.00397653/step, 0.196949 hours remaining, 109.511719 MB of memory in use. ENERGY: 321700 658.8098 1867.7604 2018.7580 95.7949 -15.2866 -1029.6863 158.7828 0.0000 2677.0909 6432.0239 295.6921 3754.9330 6464.0118 298.3387 PRESSURE: 321800 0 0 0 0 0 0 0 0 0 GPRESSURE: 321800 0 0 0 0 0 0 0 0 0 PRESSAVG: 321800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321800 0 0 0 0 0 0 0 0 0 TIMING: 321800 CPU: 1282.41, 0.00397681/step Wall: 1282.41, 0.00397681/step, 0.196852 hours remaining, 109.511719 MB of memory in use. ENERGY: 321800 659.3312 1833.2059 2016.4173 117.2500 -15.3625 -1054.3088 162.1993 0.0000 2704.5859 6423.3183 298.7290 3718.7324 6455.5204 297.1589 PRESSURE: 321900 0 0 0 0 0 0 0 0 0 GPRESSURE: 321900 0 0 0 0 0 0 0 0 0 PRESSAVG: 321900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 321900 0 0 0 0 0 0 0 0 0 TIMING: 321900 CPU: 1282.81, 0.00397794/step Wall: 1282.81, 0.00397794/step, 0.196798 hours remaining, 109.511719 MB of memory in use. ENERGY: 321900 661.2043 1846.3101 2018.4588 107.2065 -14.7979 -1085.7472 165.5722 0.0000 2738.6954 6436.9022 302.4965 3698.2068 6470.3911 298.2468 PRESSURE: 322000 0 0 0 0 0 0 0 0 0 GPRESSURE: 322000 0 0 0 0 0 0 0 0 0 PRESSAVG: 322000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322000 0 0 0 0 0 0 0 0 0 TIMING: 322000 CPU: 1283.2, 0.00397767/step Wall: 1283.2, 0.00397767/step, 0.196674 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 322000 626.8960 1879.0189 2018.7013 105.0395 -14.5422 -1054.8059 183.6017 0.0000 2702.1330 6446.0424 298.4581 3743.9094 6477.4340 298.5487 PRESSURE: 322100 0 0 0 0 0 0 0 0 0 GPRESSURE: 322100 0 0 0 0 0 0 0 0 0 PRESSAVG: 322100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322100 0 0 0 0 0 0 0 0 0 TIMING: 322100 CPU: 1283.6, 0.00397717/step Wall: 1283.6, 0.00397717/step, 0.196538 hours remaining, 109.511719 MB of memory in use. ENERGY: 322100 651.1940 1859.1330 2005.1769 110.4555 -14.2181 -1039.2222 173.5239 0.0000 2653.2908 6399.3337 293.0634 3746.0429 6432.4548 295.8556 PRESSURE: 322200 0 0 0 0 0 0 0 0 0 GPRESSURE: 322200 0 0 0 0 0 0 0 0 0 PRESSAVG: 322200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322200 0 0 0 0 0 0 0 0 0 TIMING: 322200 CPU: 1284, 0.00397765/step Wall: 1284, 0.00397765/step, 0.196452 hours remaining, 109.511719 MB of memory in use. ENERGY: 322200 651.7497 1877.6424 2022.6200 96.1053 -14.4485 -1053.2845 170.8469 0.0000 2666.3072 6417.5385 294.5011 3751.2313 6449.9363 297.1021 PRESSURE: 322300 0 0 0 0 0 0 0 0 0 GPRESSURE: 322300 0 0 0 0 0 0 0 0 0 PRESSAVG: 322300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322300 0 0 0 0 0 0 0 0 0 TIMING: 322300 CPU: 1284.4, 0.00397553/step Wall: 1284.4, 0.00397553/step, 0.196237 hours remaining, 109.511719 MB of memory in use. ENERGY: 322300 666.0956 1844.3048 2022.8266 114.9804 -15.6568 -1086.2897 168.0609 0.0000 2680.7192 6395.0411 296.0929 3714.3219 6428.0783 295.8934 PRESSURE: 322400 0 0 0 0 0 0 0 0 0 GPRESSURE: 322400 0 0 0 0 0 0 0 0 0 PRESSAVG: 322400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322400 0 0 0 0 0 0 0 0 0 TIMING: 322400 CPU: 1284.79, 0.00397651/step Wall: 1284.79, 0.00397651/step, 0.196174 hours remaining, 109.511719 MB of memory in use. ENERGY: 322400 637.1372 1872.0155 2000.7137 101.5452 -15.0272 -1017.9502 164.5619 0.0000 2632.6706 6375.6667 290.7858 3742.9961 6405.9481 295.0638 PRESSURE: 322500 0 0 0 0 0 0 0 0 0 GPRESSURE: 322500 0 0 0 0 0 0 0 0 0 PRESSAVG: 322500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322500 0 0 0 0 0 0 0 0 0 TIMING: 322500 CPU: 1285.19, 0.00397685/step Wall: 1285.19, 0.00397685/step, 0.196081 hours remaining, 109.511719 MB of memory in use. ENERGY: 322500 649.7031 1895.7958 2017.3876 100.6978 -14.2072 -1073.7742 170.8725 0.0000 2661.0878 6407.5631 293.9246 3746.4754 6441.0244 294.9608 PRESSURE: 322600 0 0 0 0 0 0 0 0 0 GPRESSURE: 322600 0 0 0 0 0 0 0 0 0 PRESSAVG: 322600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322600 0 0 0 0 0 0 0 0 0 TIMING: 322600 CPU: 1285.59, 0.00397659/step Wall: 1285.59, 0.00397659/step, 0.195958 hours remaining, 109.511719 MB of memory in use. ENERGY: 322600 647.7506 1924.0814 2046.4363 109.3572 -14.2403 -1038.8947 157.9659 0.0000 2613.9509 6446.4072 288.7182 3832.4564 6477.7437 296.5413 PRESSURE: 322700 0 0 0 0 0 0 0 0 0 GPRESSURE: 322700 0 0 0 0 0 0 0 0 0 PRESSAVG: 322700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322700 0 0 0 0 0 0 0 0 0 TIMING: 322700 CPU: 1285.99, 0.00397627/step Wall: 1285.99, 0.00397627/step, 0.195831 hours remaining, 109.511719 MB of memory in use. ENERGY: 322700 661.4613 1857.7191 2048.7071 116.6458 -14.6052 -1068.0468 171.0191 0.0000 2674.4597 6447.3601 295.4015 3772.9004 6479.1758 297.5741 PRESSURE: 322800 0 0 0 0 0 0 0 0 0 GPRESSURE: 322800 0 0 0 0 0 0 0 0 0 PRESSAVG: 322800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322800 0 0 0 0 0 0 0 0 0 TIMING: 322800 CPU: 1286.38, 0.00397719/step Wall: 1286.38, 0.00397719/step, 0.195766 hours remaining, 109.511719 MB of memory in use. ENERGY: 322800 663.2103 1868.0066 2023.6541 105.0018 -16.1861 -1063.8091 161.7891 0.0000 2701.9982 6443.6650 298.4432 3741.6668 6479.3801 298.9167 PRESSURE: 322900 0 0 0 0 0 0 0 0 0 GPRESSURE: 322900 0 0 0 0 0 0 0 0 0 PRESSAVG: 322900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 322900 0 0 0 0 0 0 0 0 0 TIMING: 322900 CPU: 1286.78, 0.00397945/step Wall: 1286.78, 0.00397945/step, 0.195767 hours remaining, 109.511719 MB of memory in use. ENERGY: 322900 631.2872 1884.8009 2039.9986 107.2412 -14.5771 -1066.9035 165.0774 0.0000 2702.1005 6449.0252 298.4545 3746.9247 6483.5050 298.3087 PRESSURE: 323000 0 0 0 0 0 0 0 0 0 GPRESSURE: 323000 0 0 0 0 0 0 0 0 0 PRESSAVG: 323000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323000 0 0 0 0 0 0 0 0 0 TIMING: 323000 CPU: 1287.18, 0.00397607/step Wall: 1287.18, 0.00397606/step, 0.19549 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 323000 660.7691 1932.0689 2022.5839 113.4705 -15.4411 -1089.7998 168.9622 0.0000 2680.0749 6472.6887 296.0217 3792.6138 6503.6009 300.1931 PRESSURE: 323100 0 0 0 0 0 0 0 0 0 GPRESSURE: 323100 0 0 0 0 0 0 0 0 0 PRESSAVG: 323100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323100 0 0 0 0 0 0 0 0 0 TIMING: 323100 CPU: 1287.58, 0.00397766/step Wall: 1287.58, 0.00397767/step, 0.195458 hours remaining, 109.511719 MB of memory in use. ENERGY: 323100 659.9190 1842.4795 2018.4923 99.0018 -16.5353 -1009.5625 155.1828 0.0000 2722.4610 6471.4384 300.7034 3748.9774 6505.7391 299.3600 PRESSURE: 323200 0 0 0 0 0 0 0 0 0 GPRESSURE: 323200 0 0 0 0 0 0 0 0 0 PRESSAVG: 323200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323200 0 0 0 0 0 0 0 0 0 TIMING: 323200 CPU: 1287.98, 0.00397439/step Wall: 1287.98, 0.00397439/step, 0.195187 hours remaining, 109.511719 MB of memory in use. ENERGY: 323200 667.3607 1861.1770 2039.2122 110.3738 -15.2270 -1054.4844 171.9962 0.0000 2678.9613 6459.3698 295.8987 3780.4085 6490.8646 299.0004 PRESSURE: 323300 0 0 0 0 0 0 0 0 0 GPRESSURE: 323300 0 0 0 0 0 0 0 0 0 PRESSAVG: 323300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323300 0 0 0 0 0 0 0 0 0 TIMING: 323300 CPU: 1288.37, 0.0039756/step Wall: 1288.37, 0.0039756/step, 0.195136 hours remaining, 109.511719 MB of memory in use. ENERGY: 323300 641.3800 1910.1393 1998.4002 96.8153 -15.2529 -1054.7809 166.0074 0.0000 2753.4193 6496.1277 304.1228 3742.7084 6533.0857 298.6846 PRESSURE: 323400 0 0 0 0 0 0 0 0 0 GPRESSURE: 323400 0 0 0 0 0 0 0 0 0 PRESSAVG: 323400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323400 0 0 0 0 0 0 0 0 0 TIMING: 323400 CPU: 1288.77, 0.00398062/step Wall: 1288.77, 0.00398062/step, 0.195272 hours remaining, 109.511719 MB of memory in use. ENERGY: 323400 625.4235 1842.1026 1992.4760 97.6439 -14.6585 -1018.1311 158.6684 0.0000 2777.1482 6460.6730 306.7438 3683.5248 6496.1140 300.4239 PRESSURE: 323500 0 0 0 0 0 0 0 0 0 GPRESSURE: 323500 0 0 0 0 0 0 0 0 0 PRESSAVG: 323500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323500 0 0 0 0 0 0 0 0 0 TIMING: 323500 CPU: 1289.17, 0.00397616/step Wall: 1289.17, 0.00397616/step, 0.194942 hours remaining, 109.511719 MB of memory in use. ENERGY: 323500 681.6921 1912.0113 2037.4336 107.7608 -13.5655 -1057.1752 192.2392 0.0000 2648.6242 6509.0206 292.5479 3860.3964 6538.2328 298.5636 PRESSURE: 323600 0 0 0 0 0 0 0 0 0 GPRESSURE: 323600 0 0 0 0 0 0 0 0 0 PRESSAVG: 323600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323600 0 0 0 0 0 0 0 0 0 TIMING: 323600 CPU: 1289.57, 0.00397978/step Wall: 1289.57, 0.00397978/step, 0.195009 hours remaining, 109.511719 MB of memory in use. ENERGY: 323600 685.6658 1895.6792 2010.4258 100.1147 -15.1162 -1084.7017 157.1801 0.0000 2695.5619 6444.8096 297.7323 3749.2477 6476.5775 299.0157 PRESSURE: 323700 0 0 0 0 0 0 0 0 0 GPRESSURE: 323700 0 0 0 0 0 0 0 0 0 PRESSAVG: 323700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323700 0 0 0 0 0 0 0 0 0 TIMING: 323700 CPU: 1289.96, 0.00397489/step Wall: 1289.96, 0.00397489/step, 0.194659 hours remaining, 109.511719 MB of memory in use. ENERGY: 323700 657.2056 1893.5963 2014.4644 107.9229 -13.6050 -1047.0384 164.8962 0.0000 2665.1386 6442.5805 294.3720 3777.4419 6476.5596 298.5831 PRESSURE: 323800 0 0 0 0 0 0 0 0 0 GPRESSURE: 323800 0 0 0 0 0 0 0 0 0 PRESSAVG: 323800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323800 0 0 0 0 0 0 0 0 0 TIMING: 323800 CPU: 1290.36, 0.00397762/step Wall: 1290.36, 0.00397762/step, 0.194682 hours remaining, 109.511719 MB of memory in use. ENERGY: 323800 650.1717 1847.7312 2009.4361 98.7420 -15.4637 -1047.0338 154.2240 0.0000 2709.2697 6407.0772 299.2464 3697.8076 6442.0626 297.0094 PRESSURE: 323900 0 0 0 0 0 0 0 0 0 GPRESSURE: 323900 0 0 0 0 0 0 0 0 0 PRESSAVG: 323900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 323900 0 0 0 0 0 0 0 0 0 TIMING: 323900 CPU: 1290.76, 0.0039758/step Wall: 1290.76, 0.0039758/step, 0.194483 hours remaining, 109.511719 MB of memory in use. ENERGY: 323900 664.1066 1887.0493 2002.4665 113.9899 -14.6970 -1083.8960 166.9935 0.0000 2653.4889 6389.5016 293.0852 3736.0127 6421.0740 295.3625 PRESSURE: 324000 0 0 0 0 0 0 0 0 0 GPRESSURE: 324000 0 0 0 0 0 0 0 0 0 PRESSAVG: 324000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324000 0 0 0 0 0 0 0 0 0 TIMING: 324000 CPU: 1291.16, 0.00397575/step Wall: 1291.16, 0.00397575/step, 0.19437 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 324000 664.7325 1857.3587 2003.5167 100.8055 -14.9762 -1047.9598 151.3411 0.0000 2687.3257 6402.1442 296.8226 3714.8184 6435.4357 295.0066 PRESSURE: 324100 0 0 0 0 0 0 0 0 0 GPRESSURE: 324100 0 0 0 0 0 0 0 0 0 PRESSAVG: 324100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324100 0 0 0 0 0 0 0 0 0 TIMING: 324100 CPU: 1291.55, 0.00397628/step Wall: 1291.55, 0.00397628/step, 0.194285 hours remaining, 109.511719 MB of memory in use. ENERGY: 324100 631.1526 1882.4261 1995.0186 105.8835 -14.4325 -1038.3498 162.1551 0.0000 2683.3647 6407.2184 296.3851 3723.8537 6441.6736 296.8394 PRESSURE: 324200 0 0 0 0 0 0 0 0 0 GPRESSURE: 324200 0 0 0 0 0 0 0 0 0 PRESSAVG: 324200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324200 0 0 0 0 0 0 0 0 0 TIMING: 324200 CPU: 1291.95, 0.00397525/step Wall: 1291.95, 0.00397525/step, 0.194125 hours remaining, 109.511719 MB of memory in use. ENERGY: 324200 632.2450 1898.5783 2009.4139 99.2435 -14.1908 -1089.5851 162.8508 0.0000 2732.4092 6430.9648 301.8022 3698.5556 6467.8030 297.6691 LDB: ============= START OF LOAD BALANCING ============== 1294.73 LDB: ============== END OF LOAD BALANCING =============== 1294.73 LDB: =============== DONE WITH MIGRATION ================ 1294.73 PRESSURE: 324300 0 0 0 0 0 0 0 0 0 GPRESSURE: 324300 0 0 0 0 0 0 0 0 0 PRESSAVG: 324300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324300 0 0 0 0 0 0 0 0 0 TIMING: 324300 CPU: 1292.35, 0.00397789/step Wall: 1292.35, 0.00397789/step, 0.194143 hours remaining, 109.511719 MB of memory in use. ENERGY: 324300 646.9925 1918.5407 2029.6271 106.1212 -14.0650 -1024.0585 161.4845 0.0000 2640.5390 6465.1814 291.6549 3824.6425 6497.3502 298.2312 LDB: ============= START OF LOAD BALANCING ============== 1295.13 LDB: ============== END OF LOAD BALANCING =============== 1295.13 LDB: =============== DONE WITH MIGRATION ================ 1295.13 PRESSURE: 324400 0 0 0 0 0 0 0 0 0 GPRESSURE: 324400 0 0 0 0 0 0 0 0 0 PRESSAVG: 324400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324400 0 0 0 0 0 0 0 0 0 TIMING: 324400 CPU: 1292.75, 0.00398722/step Wall: 1292.75, 0.00398721/step, 0.194487 hours remaining, 109.511719 MB of memory in use. ENERGY: 324400 647.5984 1910.4017 2026.3554 100.7610 -15.4405 -1074.7826 159.9360 0.0000 2760.6498 6515.4791 304.9215 3754.8293 6550.4114 300.4621 PRESSURE: 324500 0 0 0 0 0 0 0 0 0 GPRESSURE: 324500 0 0 0 0 0 0 0 0 0 PRESSAVG: 324500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324500 0 0 0 0 0 0 0 0 0 TIMING: 324500 CPU: 1293.15, 0.00397572/step Wall: 1293.15, 0.00397573/step, 0.193817 hours remaining, 109.511719 MB of memory in use. ENERGY: 324500 638.7229 1910.7143 1995.4655 95.6806 -14.6449 -1013.6330 159.8589 0.0000 2750.8237 6522.9880 303.8361 3772.1643 6553.5504 301.5304 PRESSURE: 324600 0 0 0 0 0 0 0 0 0 GPRESSURE: 324600 0 0 0 0 0 0 0 0 0 PRESSAVG: 324600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324600 0 0 0 0 0 0 0 0 0 TIMING: 324600 CPU: 1293.54, 0.00397721/step Wall: 1293.54, 0.00397721/step, 0.193779 hours remaining, 109.511719 MB of memory in use. ENERGY: 324600 649.0118 1894.0690 2019.0118 99.9959 -15.3805 -1045.8953 168.5766 0.0000 2746.8280 6516.2174 303.3948 3769.3894 6549.7738 302.2384 PRESSURE: 324700 0 0 0 0 0 0 0 0 0 GPRESSURE: 324700 0 0 0 0 0 0 0 0 0 PRESSAVG: 324700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324700 0 0 0 0 0 0 0 0 0 TIMING: 324700 CPU: 1293.94, 0.00397788/step Wall: 1293.94, 0.00397788/step, 0.193701 hours remaining, 109.511719 MB of memory in use. ENERGY: 324700 625.2160 1914.5872 2018.6861 98.5676 -14.2197 -1060.9308 160.3297 0.0000 2753.4275 6495.6635 304.1237 3742.2360 6530.3185 300.2060 PRESSURE: 324800 0 0 0 0 0 0 0 0 0 GPRESSURE: 324800 0 0 0 0 0 0 0 0 0 PRESSAVG: 324800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324800 0 0 0 0 0 0 0 0 0 TIMING: 324800 CPU: 1294.34, 0.00397613/step Wall: 1294.34, 0.00397613/step, 0.193505 hours remaining, 109.511719 MB of memory in use. ENERGY: 324800 642.7583 1939.5129 2059.7252 103.2011 -14.6365 -1087.5969 160.9563 0.0000 2686.0853 6490.0056 296.6856 3803.9204 6522.8698 301.1132 PRESSURE: 324900 0 0 0 0 0 0 0 0 0 GPRESSURE: 324900 0 0 0 0 0 0 0 0 0 PRESSAVG: 324900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 324900 0 0 0 0 0 0 0 0 0 TIMING: 324900 CPU: 1294.74, 0.00397662/step Wall: 1294.74, 0.00397662/step, 0.193418 hours remaining, 109.511719 MB of memory in use. ENERGY: 324900 638.5401 1935.1018 2030.6844 109.1048 -15.6790 -1047.5156 152.6007 0.0000 2709.0784 6511.9155 299.2253 3802.8371 6542.8161 301.1569 PRESSURE: 325000 0 0 0 0 0 0 0 0 0 GPRESSURE: 325000 0 0 0 0 0 0 0 0 0 PRESSAVG: 325000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325000 0 0 0 0 0 0 0 0 0 TIMING: 325000 CPU: 1295.14, 0.00397769/step Wall: 1295.14, 0.00397769/step, 0.19336 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 325000 680.7996 1880.5543 2016.2409 104.5182 -14.3526 -1051.8549 158.3120 0.0000 2729.1368 6503.3544 301.4408 3774.2176 6535.3606 301.2947 PRESSURE: 325100 0 0 0 0 0 0 0 0 0 GPRESSURE: 325100 0 0 0 0 0 0 0 0 0 PRESSAVG: 325100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325100 0 0 0 0 0 0 0 0 0 TIMING: 325100 CPU: 1295.53, 0.00397708/step Wall: 1295.53, 0.00397708/step, 0.19322 hours remaining, 109.511719 MB of memory in use. ENERGY: 325100 641.2087 1916.2052 2019.1215 108.9456 -14.3742 -1037.5680 156.2987 0.0000 2716.8918 6506.7292 300.0883 3789.8374 6540.9888 301.7688 PRESSURE: 325200 0 0 0 0 0 0 0 0 0 GPRESSURE: 325200 0 0 0 0 0 0 0 0 0 PRESSAVG: 325200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325200 0 0 0 0 0 0 0 0 0 TIMING: 325200 CPU: 1295.93, 0.00397392/step Wall: 1295.93, 0.00397392/step, 0.192956 hours remaining, 109.511719 MB of memory in use. ENERGY: 325200 645.3211 1906.4116 2013.5117 98.7306 -13.8764 -1061.1396 151.7784 0.0000 2735.8112 6476.5487 302.1780 3740.7375 6510.7859 300.6527 PRESSURE: 325300 0 0 0 0 0 0 0 0 0 GPRESSURE: 325300 0 0 0 0 0 0 0 0 0 PRESSAVG: 325300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325300 0 0 0 0 0 0 0 0 0 TIMING: 325300 CPU: 1296.33, 0.00397381/step Wall: 1296.33, 0.00397381/step, 0.19284 hours remaining, 109.511719 MB of memory in use. ENERGY: 325300 647.7872 1902.6912 2030.7372 114.2017 -13.5032 -1069.1471 173.1062 0.0000 2703.0176 6488.8908 298.5558 3785.8732 6524.6207 300.1102 PRESSURE: 325400 0 0 0 0 0 0 0 0 0 GPRESSURE: 325400 0 0 0 0 0 0 0 0 0 PRESSAVG: 325400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325400 0 0 0 0 0 0 0 0 0 TIMING: 325400 CPU: 1296.73, 0.00398069/step Wall: 1296.73, 0.00398069/step, 0.193063 hours remaining, 109.511719 MB of memory in use. ENERGY: 325400 656.0412 1857.8918 2059.1737 113.4465 -14.6137 -1035.7473 169.3078 0.0000 2656.9388 6462.4387 293.4663 3805.4999 6498.3370 299.2444 PRESSURE: 325500 0 0 0 0 0 0 0 0 0 GPRESSURE: 325500 0 0 0 0 0 0 0 0 0 PRESSAVG: 325500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325500 0 0 0 0 0 0 0 0 0 TIMING: 325500 CPU: 1297.12, 0.00397611/step Wall: 1297.12, 0.00397611/step, 0.192731 hours remaining, 109.511719 MB of memory in use. ENERGY: 325500 664.9042 1910.9314 2044.9993 113.9654 -14.5469 -1065.1840 142.6491 0.0000 2699.7208 6497.4392 298.1917 3797.7184 6530.4194 298.8649 PRESSURE: 325600 0 0 0 0 0 0 0 0 0 GPRESSURE: 325600 0 0 0 0 0 0 0 0 0 PRESSAVG: 325600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325600 0 0 0 0 0 0 0 0 0 TIMING: 325600 CPU: 1297.52, 0.00398007/step Wall: 1297.52, 0.00398007/step, 0.192812 hours remaining, 109.511719 MB of memory in use. ENERGY: 325600 674.7192 1877.1479 2012.5024 101.7700 -13.2721 -1038.4375 157.3566 0.0000 2737.5384 6509.3251 302.3687 3771.7867 6542.2317 301.5964 PRESSURE: 325700 0 0 0 0 0 0 0 0 0 GPRESSURE: 325700 0 0 0 0 0 0 0 0 0 PRESSAVG: 325700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325700 0 0 0 0 0 0 0 0 0 TIMING: 325700 CPU: 1297.92, 0.00397409/step Wall: 1297.92, 0.00397409/step, 0.192412 hours remaining, 109.511719 MB of memory in use. ENERGY: 325700 658.0482 1902.8418 1989.9383 104.4242 -13.7278 -1043.7504 154.8034 0.0000 2731.6871 6484.2648 301.7225 3752.5777 6519.1088 301.0194 PRESSURE: 325800 0 0 0 0 0 0 0 0 0 GPRESSURE: 325800 0 0 0 0 0 0 0 0 0 PRESSAVG: 325800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325800 0 0 0 0 0 0 0 0 0 TIMING: 325800 CPU: 1298.32, 0.00397448/step Wall: 1298.32, 0.00397448/step, 0.192321 hours remaining, 109.511719 MB of memory in use. ENERGY: 325800 668.5036 1919.2908 2016.5459 109.0476 -14.0389 -1070.9532 171.0301 0.0000 2700.1085 6499.5345 298.2345 3799.4260 6532.9114 300.4799 PRESSURE: 325900 0 0 0 0 0 0 0 0 0 GPRESSURE: 325900 0 0 0 0 0 0 0 0 0 PRESSAVG: 325900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 325900 0 0 0 0 0 0 0 0 0 TIMING: 325900 CPU: 1298.71, 0.00397901/step Wall: 1298.71, 0.00397901/step, 0.192429 hours remaining, 109.511719 MB of memory in use. ENERGY: 325900 689.6583 1851.3668 2025.0880 109.4423 -14.1919 -1038.6040 153.5225 0.0000 2720.1089 6496.3909 300.4436 3776.2820 6530.5562 300.9922 PRESSURE: 326000 0 0 0 0 0 0 0 0 0 GPRESSURE: 326000 0 0 0 0 0 0 0 0 0 PRESSAVG: 326000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326000 0 0 0 0 0 0 0 0 0 TIMING: 326000 CPU: 1299.11, 0.0039771/step Wall: 1299.11, 0.0039771/step, 0.192226 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 326000 676.9520 1848.0822 2031.3639 105.8483 -14.5731 -1061.8001 174.8957 0.0000 2736.4049 6497.1738 302.2435 3760.7689 6530.6924 301.3645 PRESSURE: 326100 0 0 0 0 0 0 0 0 0 GPRESSURE: 326100 0 0 0 0 0 0 0 0 0 PRESSAVG: 326100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326100 0 0 0 0 0 0 0 0 0 TIMING: 326100 CPU: 1299.51, 0.00397731/step Wall: 1299.51, 0.00397731/step, 0.192126 hours remaining, 109.511719 MB of memory in use. ENERGY: 326100 675.2075 1896.5644 2019.4562 106.3942 -14.8225 -1033.0293 158.8364 0.0000 2699.1327 6507.7396 298.1267 3808.6070 6540.3859 299.7157 PRESSURE: 326200 0 0 0 0 0 0 0 0 0 GPRESSURE: 326200 0 0 0 0 0 0 0 0 0 PRESSAVG: 326200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326200 0 0 0 0 0 0 0 0 0 TIMING: 326200 CPU: 1299.91, 0.00397754/step Wall: 1299.91, 0.00397754/step, 0.192027 hours remaining, 109.511719 MB of memory in use. ENERGY: 326200 641.0514 1889.3060 2025.7824 109.7330 -14.0387 -1010.2053 167.5646 0.0000 2725.0201 6534.2136 300.9861 3809.1935 6567.7801 303.7414 PRESSURE: 326300 0 0 0 0 0 0 0 0 0 GPRESSURE: 326300 0 0 0 0 0 0 0 0 0 PRESSAVG: 326300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326300 0 0 0 0 0 0 0 0 0 TIMING: 326300 CPU: 1300.3, 0.00397685/step Wall: 1300.3, 0.00397685/step, 0.191883 hours remaining, 109.511719 MB of memory in use. ENERGY: 326300 634.8640 1906.9976 2011.9483 107.6166 -14.3272 -1059.7056 160.6705 0.0000 2807.0972 6555.1614 310.0517 3748.0642 6591.5045 302.3091 PRESSURE: 326400 0 0 0 0 0 0 0 0 0 GPRESSURE: 326400 0 0 0 0 0 0 0 0 0 PRESSAVG: 326400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326400 0 0 0 0 0 0 0 0 0 TIMING: 326400 CPU: 1300.7, 0.00397903/step Wall: 1300.7, 0.00397903/step, 0.191878 hours remaining, 109.511719 MB of memory in use. ENERGY: 326400 669.2506 1889.7799 2047.1224 94.0907 -14.6727 -1058.8814 156.5303 0.0000 2742.5396 6525.7593 302.9211 3783.2197 6557.4492 303.3225 PRESSURE: 326500 0 0 0 0 0 0 0 0 0 GPRESSURE: 326500 0 0 0 0 0 0 0 0 0 PRESSAVG: 326500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326500 0 0 0 0 0 0 0 0 0 TIMING: 326500 CPU: 1301.1, 0.00397908/step Wall: 1301.1, 0.00397908/step, 0.19177 hours remaining, 109.511719 MB of memory in use. ENERGY: 326500 678.8417 1915.1254 2028.7412 99.0669 -15.0433 -1087.0612 156.8600 0.0000 2728.2096 6504.7404 301.3384 3776.5307 6538.0065 302.8873 PRESSURE: 326600 0 0 0 0 0 0 0 0 0 GPRESSURE: 326600 0 0 0 0 0 0 0 0 0 PRESSAVG: 326600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326600 0 0 0 0 0 0 0 0 0 TIMING: 326600 CPU: 1301.5, 0.00397648/step Wall: 1301.5, 0.00397648/step, 0.191534 hours remaining, 109.511719 MB of memory in use. ENERGY: 326600 636.3637 1907.1996 2036.3536 92.0035 -14.3979 -1068.2757 182.0921 0.0000 2736.2718 6507.6106 302.2288 3771.3389 6538.3966 302.2220 PRESSURE: 326700 0 0 0 0 0 0 0 0 0 GPRESSURE: 326700 0 0 0 0 0 0 0 0 0 PRESSAVG: 326700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326700 0 0 0 0 0 0 0 0 0 TIMING: 326700 CPU: 1301.9, 0.00397608/step Wall: 1301.9, 0.00397608/step, 0.191404 hours remaining, 109.511719 MB of memory in use. ENERGY: 326700 630.0764 1925.1181 2025.5708 95.7000 -14.9245 -1053.2491 152.6536 0.0000 2736.8560 6497.8012 302.2934 3760.9452 6529.6023 299.8543 PRESSURE: 326800 0 0 0 0 0 0 0 0 0 GPRESSURE: 326800 0 0 0 0 0 0 0 0 0 PRESSAVG: 326800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326800 0 0 0 0 0 0 0 0 0 TIMING: 326800 CPU: 1302.29, 0.00397594/step Wall: 1302.29, 0.00397594/step, 0.191287 hours remaining, 109.511719 MB of memory in use. ENERGY: 326800 639.9798 1915.2181 2019.3696 101.6571 -13.5788 -1029.4659 157.6085 0.0000 2676.3467 6467.1351 295.6099 3790.7885 6496.2639 299.5892 PRESSURE: 326900 0 0 0 0 0 0 0 0 0 GPRESSURE: 326900 0 0 0 0 0 0 0 0 0 PRESSAVG: 326900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 326900 0 0 0 0 0 0 0 0 0 TIMING: 326900 CPU: 1302.69, 0.00397654/step Wall: 1302.69, 0.00397654/step, 0.191205 hours remaining, 109.511719 MB of memory in use. ENERGY: 326900 646.5182 1902.1443 2024.9283 117.9872 -13.9846 -997.3223 169.5289 0.0000 2666.2405 6516.0404 294.4937 3849.7999 6548.6663 299.5504 PRESSURE: 327000 0 0 0 0 0 0 0 0 0 GPRESSURE: 327000 0 0 0 0 0 0 0 0 0 PRESSAVG: 327000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327000 0 0 0 0 0 0 0 0 0 TIMING: 327000 CPU: 1303.09, 0.00397751/step Wall: 1303.09, 0.00397751/step, 0.191141 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 327000 637.7672 1933.5818 2005.4702 92.1617 -14.2188 -1046.9977 167.4887 0.0000 2714.6399 6489.8929 299.8395 3775.2531 6522.1384 299.9192 PRESSURE: 327100 0 0 0 0 0 0 0 0 0 GPRESSURE: 327100 0 0 0 0 0 0 0 0 0 PRESSAVG: 327100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327100 0 0 0 0 0 0 0 0 0 TIMING: 327100 CPU: 1303.49, 0.00397732/step Wall: 1303.49, 0.00397732/step, 0.191022 hours remaining, 109.511719 MB of memory in use. ENERGY: 327100 647.5353 1936.5751 1989.7214 105.0022 -14.9441 -1050.3154 151.8114 0.0000 2752.3066 6517.6924 303.9999 3765.3858 6549.0769 301.1051 PRESSURE: 327200 0 0 0 0 0 0 0 0 0 GPRESSURE: 327200 0 0 0 0 0 0 0 0 0 PRESSAVG: 327200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327200 0 0 0 0 0 0 0 0 0 TIMING: 327200 CPU: 1303.88, 0.00397899/step Wall: 1303.88, 0.00397899/step, 0.190992 hours remaining, 109.511719 MB of memory in use. ENERGY: 327200 649.3767 1908.7984 2009.8162 98.8863 -13.4378 -1001.0941 166.8644 0.0000 2716.3579 6535.5679 300.0293 3819.2100 6569.5248 304.2096 PRESSURE: 327300 0 0 0 0 0 0 0 0 0 GPRESSURE: 327300 0 0 0 0 0 0 0 0 0 PRESSAVG: 327300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327300 0 0 0 0 0 0 0 0 0 TIMING: 327300 CPU: 1304.28, 0.00397353/step Wall: 1304.28, 0.00397353/step, 0.190619 hours remaining, 109.511719 MB of memory in use. ENERGY: 327300 659.7631 1897.3989 2001.9390 118.5597 -12.5786 -1048.9362 170.7809 0.0000 2731.9202 6518.8473 301.7482 3786.9270 6550.4803 303.9406 PRESSURE: 327400 0 0 0 0 0 0 0 0 0 GPRESSURE: 327400 0 0 0 0 0 0 0 0 0 PRESSAVG: 327400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327400 0 0 0 0 0 0 0 0 0 TIMING: 327400 CPU: 1304.68, 0.00397949/step Wall: 1304.68, 0.00397949/step, 0.190794 hours remaining, 109.511719 MB of memory in use. ENERGY: 327400 648.5760 1928.4594 2011.4764 110.6108 -14.1302 -1019.1125 155.4085 0.0000 2706.7305 6528.0189 298.9659 3821.2885 6557.7138 302.5893 PRESSURE: 327500 0 0 0 0 0 0 0 0 0 GPRESSURE: 327500 0 0 0 0 0 0 0 0 0 PRESSAVG: 327500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327500 0 0 0 0 0 0 0 0 0 TIMING: 327500 CPU: 1305.08, 0.00397522/step Wall: 1305.08, 0.00397522/step, 0.190479 hours remaining, 109.511719 MB of memory in use. ENERGY: 327500 649.4877 1874.9892 2029.5377 120.1438 -13.6892 -1042.4961 162.6689 0.0000 2692.2139 6472.8557 297.3625 3780.6418 6507.0684 300.4978 PRESSURE: 327600 0 0 0 0 0 0 0 0 0 GPRESSURE: 327600 0 0 0 0 0 0 0 0 0 PRESSAVG: 327600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327600 0 0 0 0 0 0 0 0 0 TIMING: 327600 CPU: 1305.47, 0.00397608/step Wall: 1305.47, 0.00397608/step, 0.19041 hours remaining, 109.511719 MB of memory in use. ENERGY: 327600 665.4952 1930.2468 1997.2594 95.4338 -14.6186 -1024.4563 162.2831 0.0000 2705.5953 6517.2388 298.8405 3811.6434 6547.8845 301.0324 PRESSURE: 327700 0 0 0 0 0 0 0 0 0 GPRESSURE: 327700 0 0 0 0 0 0 0 0 0 PRESSAVG: 327700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327700 0 0 0 0 0 0 0 0 0 TIMING: 327700 CPU: 1305.87, 0.00397614/step Wall: 1305.87, 0.00397614/step, 0.190302 hours remaining, 109.511719 MB of memory in use. ENERGY: 327700 651.7264 1898.7892 1985.6578 108.1838 -13.9434 -1037.6185 171.7465 0.0000 2724.6737 6489.2155 300.9478 3764.5418 6522.2861 301.1358 PRESSURE: 327800 0 0 0 0 0 0 0 0 0 GPRESSURE: 327800 0 0 0 0 0 0 0 0 0 PRESSAVG: 327800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327800 0 0 0 0 0 0 0 0 0 TIMING: 327800 CPU: 1306.27, 0.00397482/step Wall: 1306.27, 0.00397482/step, 0.190129 hours remaining, 109.511719 MB of memory in use. ENERGY: 327800 703.1363 1852.3443 2032.1903 104.2257 -14.3780 -1051.7151 161.0928 0.0000 2704.1590 6491.0551 298.6819 3786.8961 6523.2789 301.2401 PRESSURE: 327900 0 0 0 0 0 0 0 0 0 GPRESSURE: 327900 0 0 0 0 0 0 0 0 0 PRESSAVG: 327900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 327900 0 0 0 0 0 0 0 0 0 TIMING: 327900 CPU: 1306.67, 0.00398023/step Wall: 1306.67, 0.00398023/step, 0.190277 hours remaining, 109.511719 MB of memory in use. ENERGY: 327900 652.6343 1930.1071 2004.1314 98.3444 -15.1655 -1031.1377 149.4125 0.0000 2666.4450 6454.7715 294.5163 3788.3265 6483.9167 299.0536 PRESSURE: 328000 0 0 0 0 0 0 0 0 0 GPRESSURE: 328000 0 0 0 0 0 0 0 0 0 PRESSAVG: 328000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328000 0 0 0 0 0 0 0 0 0 TIMING: 328000 CPU: 1307.07, 0.0039761/step Wall: 1307.07, 0.00397609/step, 0.189969 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 328000 644.7151 1878.0325 2009.7837 90.8310 -13.4853 -1043.7714 169.5199 0.0000 2713.5980 6449.2235 299.7245 3735.6255 6482.9573 297.7361 PRESSURE: 328100 0 0 0 0 0 0 0 0 0 GPRESSURE: 328100 0 0 0 0 0 0 0 0 0 PRESSAVG: 328100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328100 0 0 0 0 0 0 0 0 0 TIMING: 328100 CPU: 1307.46, 0.00398129/step Wall: 1307.46, 0.0039813/step, 0.190107 hours remaining, 109.511719 MB of memory in use. ENERGY: 328100 640.0434 1880.0060 2019.2566 118.4335 -13.8387 -1032.3490 156.9358 0.0000 2686.9009 6455.3884 296.7757 3768.4875 6488.0239 298.1842 PRESSURE: 328200 0 0 0 0 0 0 0 0 0 GPRESSURE: 328200 0 0 0 0 0 0 0 0 0 PRESSAVG: 328200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328200 0 0 0 0 0 0 0 0 0 TIMING: 328200 CPU: 1307.86, 0.00397735/step Wall: 1307.86, 0.00397735/step, 0.189808 hours remaining, 109.511719 MB of memory in use. ENERGY: 328200 651.2824 1926.9329 2012.9908 105.5871 -12.9736 -1063.8502 155.7809 0.0000 2690.2129 6465.9631 297.1415 3775.7503 6496.8173 298.2979 LDB: ============= START OF LOAD BALANCING ============== 1310.64 LDB: ============== END OF LOAD BALANCING =============== 1310.64 LDB: =============== DONE WITH MIGRATION ================ 1310.64 PRESSURE: 328300 0 0 0 0 0 0 0 0 0 GPRESSURE: 328300 0 0 0 0 0 0 0 0 0 PRESSAVG: 328300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328300 0 0 0 0 0 0 0 0 0 TIMING: 328300 CPU: 1308.26, 0.00397519/step Wall: 1308.26, 0.00397519/step, 0.189595 hours remaining, 109.511719 MB of memory in use. ENERGY: 328300 651.5884 1958.0705 2006.2424 112.3428 -13.0972 -1052.2893 159.5353 0.0000 2663.8242 6486.2169 294.2268 3822.3927 6516.1350 300.8944 LDB: ============= START OF LOAD BALANCING ============== 1311.04 LDB: ============== END OF LOAD BALANCING =============== 1311.04 LDB: =============== DONE WITH MIGRATION ================ 1311.04 PRESSURE: 328400 0 0 0 0 0 0 0 0 0 GPRESSURE: 328400 0 0 0 0 0 0 0 0 0 PRESSAVG: 328400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328400 0 0 0 0 0 0 0 0 0 TIMING: 328400 CPU: 1308.66, 0.0039883/step Wall: 1308.66, 0.00398829/step, 0.190108 hours remaining, 109.511719 MB of memory in use. ENERGY: 328400 625.2185 1890.6521 2043.8881 97.0898 -13.7070 -1045.0246 182.8281 0.0000 2725.4947 6506.4397 301.0385 3780.9450 6536.7189 300.3369 PRESSURE: 328500 0 0 0 0 0 0 0 0 0 GPRESSURE: 328500 0 0 0 0 0 0 0 0 0 PRESSAVG: 328500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328500 0 0 0 0 0 0 0 0 0 TIMING: 328500 CPU: 1309.06, 0.00397547/step Wall: 1309.06, 0.00397548/step, 0.189387 hours remaining, 109.511719 MB of memory in use. ENERGY: 328500 624.9765 1875.9731 2022.6123 99.4597 -14.0119 -1010.1906 146.2413 0.0000 2765.3134 6510.3738 305.4366 3745.0603 6545.8802 301.2444 PRESSURE: 328600 0 0 0 0 0 0 0 0 0 GPRESSURE: 328600 0 0 0 0 0 0 0 0 0 PRESSAVG: 328600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328600 0 0 0 0 0 0 0 0 0 TIMING: 328600 CPU: 1309.45, 0.00397898/step Wall: 1309.45, 0.00397898/step, 0.189444 hours remaining, 109.511719 MB of memory in use. ENERGY: 328600 671.4668 1862.5687 1998.9531 117.3317 -13.2745 -1058.2281 169.9228 0.0000 2748.5280 6497.2684 303.5826 3748.7404 6529.6290 301.2614 PRESSURE: 328700 0 0 0 0 0 0 0 0 0 GPRESSURE: 328700 0 0 0 0 0 0 0 0 0 PRESSAVG: 328700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328700 0 0 0 0 0 0 0 0 0 TIMING: 328700 CPU: 1309.85, 0.00397727/step Wall: 1309.85, 0.00397727/step, 0.189252 hours remaining, 109.511719 MB of memory in use. ENERGY: 328700 634.9907 1915.8081 2028.5603 110.6418 -14.4805 -1036.6767 168.9542 0.0000 2671.1829 6478.9808 295.0396 3807.7979 6511.9982 299.9839 PRESSURE: 328800 0 0 0 0 0 0 0 0 0 GPRESSURE: 328800 0 0 0 0 0 0 0 0 0 PRESSAVG: 328800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328800 0 0 0 0 0 0 0 0 0 TIMING: 328800 CPU: 1310.25, 0.00397659/step Wall: 1310.25, 0.00397659/step, 0.189109 hours remaining, 109.511719 MB of memory in use. ENERGY: 328800 663.3328 1889.1398 1982.2066 100.0477 -14.5112 -1043.3071 151.9625 0.0000 2694.8250 6423.6961 297.6509 3728.8711 6454.4762 298.3170 PRESSURE: 328900 0 0 0 0 0 0 0 0 0 GPRESSURE: 328900 0 0 0 0 0 0 0 0 0 PRESSAVG: 328900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 328900 0 0 0 0 0 0 0 0 0 TIMING: 328900 CPU: 1310.65, 0.00398677/step Wall: 1310.65, 0.00398677/step, 0.189482 hours remaining, 109.511719 MB of memory in use. ENERGY: 328900 651.4734 1864.8386 2015.6072 99.2142 -13.7398 -1032.1691 155.3654 0.0000 2698.8881 6439.4780 298.0997 3740.5899 6474.4369 298.0570 PRESSURE: 329000 0 0 0 0 0 0 0 0 0 GPRESSURE: 329000 0 0 0 0 0 0 0 0 0 PRESSAVG: 329000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329000 0 0 0 0 0 0 0 0 0 TIMING: 329000 CPU: 1311.04, 0.00397361/step Wall: 1311.04, 0.00397361/step, 0.188746 hours remaining, 109.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 329000 664.0985 1868.4701 2025.6625 113.8862 -13.8264 -1034.0902 159.5512 0.0000 2683.3577 6467.1095 296.3843 3783.7519 6503.7174 298.4109 PRESSURE: 329100 0 0 0 0 0 0 0 0 0 GPRESSURE: 329100 0 0 0 0 0 0 0 0 0 PRESSAVG: 329100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329100 0 0 0 0 0 0 0 0 0 TIMING: 329100 CPU: 1311.44, 0.00397812/step Wall: 1311.44, 0.00397812/step, 0.18885 hours remaining, 109.511719 MB of memory in use. ENERGY: 329100 646.1649 1914.1676 2001.0520 102.3377 -14.0523 -1018.7837 156.3589 0.0000 2673.2645 6460.5094 295.2695 3787.2450 6494.4453 298.6188 PRESSURE: 329200 0 0 0 0 0 0 0 0 0 GPRESSURE: 329200 0 0 0 0 0 0 0 0 0 PRESSAVG: 329200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329200 0 0 0 0 0 0 0 0 0 TIMING: 329200 CPU: 1311.84, 0.00397677/step Wall: 1311.84, 0.00397677/step, 0.188676 hours remaining, 109.511719 MB of memory in use. ENERGY: 329200 674.6864 1873.9097 2006.0406 97.8280 -12.8456 -1057.1643 159.9913 0.0000 2744.6722 6487.1182 303.1567 3742.4460 6517.7535 299.2432 PRESSURE: 329300 0 0 0 0 0 0 0 0 0 GPRESSURE: 329300 0 0 0 0 0 0 0 0 0 PRESSAVG: 329300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329300 0 0 0 0 0 0 0 0 0 TIMING: 329300 CPU: 1312.24, 0.00397658/step Wall: 1312.24, 0.00397657/step, 0.188556 hours remaining, 109.511719 MB of memory in use. ENERGY: 329300 670.7385 1896.9253 2010.9909 101.4596 -13.5012 -1054.9965 163.9279 0.0000 2743.5308 6519.0754 303.0306 3775.5446 6555.9790 300.0266 PRESSURE: 329400 0 0 0 0 0 0 0 0 0 GPRESSURE: 329400 0 0 0 0 0 0 0 0 0 PRESSAVG: 329400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329400 0 0 0 0 0 0 0 0 0 TIMING: 329400 CPU: 1312.64, 0.00397836/step Wall: 1312.64, 0.00397837/step, 0.188531 hours remaining, 109.511719 MB of memory in use. ENERGY: 329400 670.4330 1875.0157 2015.8721 102.4639 -13.9538 -1023.6018 155.6280 0.0000 2747.2615 6529.1185 303.4427 3781.8570 6562.9469 302.3567 PRESSURE: 329500 0 0 0 0 0 0 0 0 0 GPRESSURE: 329500 0 0 0 0 0 0 0 0 0 PRESSAVG: 329500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329500 0 0 0 0 0 0 0 0 0 TIMING: 329500 CPU: 1313.03, 0.00397927/step Wall: 1313.03, 0.00397927/step, 0.188463 hours remaining, 109.511719 MB of memory in use. ENERGY: 329500 668.8093 1915.2824 2017.8192 96.0989 -13.5247 -1024.6979 167.7511 0.0000 2725.2667 6552.8049 301.0133 3827.5383 6586.4646 302.5570 PRESSURE: 329600 0 0 0 0 0 0 0 0 0 GPRESSURE: 329600 0 0 0 0 0 0 0 0 0 PRESSAVG: 329600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329600 0 0 0 0 0 0 0 0 0 TIMING: 329600 CPU: 1313.43, 0.00397613/step Wall: 1313.43, 0.00397613/step, 0.188203 hours remaining, 109.511719 MB of memory in use. ENERGY: 329600 662.7935 1886.3419 2009.5432 101.4036 -14.0528 -1036.5002 174.7558 0.0000 2752.6592 6536.9444 304.0389 3784.2851 6569.7376 302.4819 PRESSURE: 329700 0 0 0 0 0 0 0 0 0 GPRESSURE: 329700 0 0 0 0 0 0 0 0 0 PRESSAVG: 329700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329700 0 0 0 0 0 0 0 0 0 TIMING: 329700 CPU: 1313.83, 0.00397554/step Wall: 1313.83, 0.00397554/step, 0.188065 hours remaining, 109.511719 MB of memory in use. ENERGY: 329700 640.5826 1889.3604 2013.6659 95.9971 -13.9346 -1022.3892 160.1935 0.0000 2745.3010 6508.7768 303.2261 3763.4757 6543.1068 301.1298 PRESSURE: 329800 0 0 0 0 0 0 0 0 0 GPRESSURE: 329800 0 0 0 0 0 0 0 0 0 PRESSAVG: 329800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329800 0 0 0 0 0 0 0 0 0 TIMING: 329800 CPU: 1314.23, 0.00397476/step Wall: 1314.23, 0.00397476/step, 0.187918 hours remaining, 109.511719 MB of memory in use. ENERGY: 329800 650.0775 1795.9618 2010.7405 107.5813 -13.9756 -1027.5823 165.7159 0.0000 2830.8726 6519.3917 312.6778 3688.5191 6555.7530 300.7590 PRESSURE: 329900 0 0 0 0 0 0 0 0 0 GPRESSURE: 329900 0 0 0 0 0 0 0 0 0 PRESSAVG: 329900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 329900 0 0 0 0 0 0 0 0 0 TIMING: 329900 CPU: 1314.62, 0.00398049/step Wall: 1314.62, 0.00398049/step, 0.188078 hours remaining, 109.511719 MB of memory in use. ENERGY: 329900 649.8034 1905.5501 2029.6422 96.3777 -12.6551 -1044.2436 174.6254 0.0000 2744.3971 6543.4972 303.1263 3799.1001 6576.6429 302.3793 PRESSURE: 330000 0 0 0 0 0 0 0 0 0 GPRESSURE: 330000 0 0 0 0 0 0 0 0 0 PRESSAVG: 330000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330000 0 0 0 0 0 0 0 0 0 TIMING: 330000 CPU: 1315.02, 0.00397859/step Wall: 1315.02, 0.00397859/step, 0.187878 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 330000 656.5253 1880.5068 2015.9752 100.6171 -13.2958 -1042.7882 152.7342 0.0000 2739.6530 6489.9276 302.6023 3750.2746 6524.2270 301.1693 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 330000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 330000 WRITING COORDINATES TO RESTART FILE AT STEP 330000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 330000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 330100 0 0 0 0 0 0 0 0 0 GPRESSURE: 330100 0 0 0 0 0 0 0 0 0 PRESSAVG: 330100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330100 0 0 0 0 0 0 0 0 0 TIMING: 330100 CPU: 1315.5, 0.00475224/step Wall: 1315.5, 0.00475224/step, 0.224279 hours remaining, 109.652344 MB of memory in use. ENERGY: 330100 677.1860 1884.6543 2036.0607 93.3384 -13.5027 -1057.3977 174.4392 0.0000 2682.3592 6477.1375 296.2740 3794.7782 6509.4525 298.9826 PRESSURE: 330200 0 0 0 0 0 0 0 0 0 GPRESSURE: 330200 0 0 0 0 0 0 0 0 0 PRESSAVG: 330200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330200 0 0 0 0 0 0 0 0 0 TIMING: 330200 CPU: 1315.9, 0.00399744/step Wall: 1315.9, 0.00399744/step, 0.188546 hours remaining, 109.652344 MB of memory in use. ENERGY: 330200 670.4400 1897.2134 2011.3871 104.7507 -13.5265 -1055.7772 169.7001 0.0000 2711.2721 6495.4597 299.4676 3784.1876 6526.2981 299.9749 PRESSURE: 330300 0 0 0 0 0 0 0 0 0 GPRESSURE: 330300 0 0 0 0 0 0 0 0 0 PRESSAVG: 330300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330300 0 0 0 0 0 0 0 0 0 TIMING: 330300 CPU: 1316.3, 0.00398496/step Wall: 1316.3, 0.00398496/step, 0.187847 hours remaining, 109.652344 MB of memory in use. ENERGY: 330300 638.3624 1911.1193 1987.8080 95.9567 -13.2172 -1032.2326 169.4903 0.0000 2729.9082 6487.1952 301.5260 3757.2869 6523.1860 300.3386 PRESSURE: 330400 0 0 0 0 0 0 0 0 0 GPRESSURE: 330400 0 0 0 0 0 0 0 0 0 PRESSAVG: 330400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330400 0 0 0 0 0 0 0 0 0 TIMING: 330400 CPU: 1316.7, 0.00399653/step Wall: 1316.7, 0.00399653/step, 0.188281 hours remaining, 109.652344 MB of memory in use. ENERGY: 330400 651.6060 1936.9956 2024.3150 85.7447 -12.4615 -1062.4737 178.8665 0.0000 2712.5757 6515.1681 299.6115 3802.5925 6546.9673 300.2529 PRESSURE: 330500 0 0 0 0 0 0 0 0 0 GPRESSURE: 330500 0 0 0 0 0 0 0 0 0 PRESSAVG: 330500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330500 0 0 0 0 0 0 0 0 0 TIMING: 330500 CPU: 1317.09, 0.00397785/step Wall: 1317.09, 0.00397785/step, 0.187291 hours remaining, 109.652344 MB of memory in use. ENERGY: 330500 683.7189 1873.0558 2037.6947 106.1493 -13.8573 -1021.4021 166.3310 0.0000 2711.5811 6543.2713 299.5017 3831.6903 6575.2831 302.7206 PRESSURE: 330600 0 0 0 0 0 0 0 0 0 GPRESSURE: 330600 0 0 0 0 0 0 0 0 0 PRESSAVG: 330600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330600 0 0 0 0 0 0 0 0 0 TIMING: 330600 CPU: 1317.49, 0.00397317/step Wall: 1317.49, 0.00397317/step, 0.18696 hours remaining, 109.652344 MB of memory in use. ENERGY: 330600 607.4020 1870.7929 2031.1710 105.5511 -14.1776 -1015.7345 161.0969 0.0000 2764.0774 6510.1792 305.3000 3746.1018 6546.1566 303.3068 PRESSURE: 330700 0 0 0 0 0 0 0 0 0 GPRESSURE: 330700 0 0 0 0 0 0 0 0 0 PRESSAVG: 330700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330700 0 0 0 0 0 0 0 0 0 TIMING: 330700 CPU: 1317.89, 0.00398112/step Wall: 1317.89, 0.00398112/step, 0.187223 hours remaining, 109.652344 MB of memory in use. ENERGY: 330700 610.8619 1871.3947 2009.9904 107.5281 -13.5537 -1040.7324 173.1870 0.0000 2777.4108 6496.0869 306.7728 3718.6761 6531.3883 300.9760 PRESSURE: 330800 0 0 0 0 0 0 0 0 0 GPRESSURE: 330800 0 0 0 0 0 0 0 0 0 PRESSAVG: 330800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330800 0 0 0 0 0 0 0 0 0 TIMING: 330800 CPU: 1318.29, 0.0039743/step Wall: 1318.29, 0.0039743/step, 0.186792 hours remaining, 109.652344 MB of memory in use. ENERGY: 330800 659.9441 1881.5770 2010.0071 106.4872 -14.2602 -1015.6448 164.5147 0.0000 2705.0806 6497.7056 298.7837 3792.6251 6531.3473 299.7149 PRESSURE: 330900 0 0 0 0 0 0 0 0 0 GPRESSURE: 330900 0 0 0 0 0 0 0 0 0 PRESSAVG: 330900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 330900 0 0 0 0 0 0 0 0 0 TIMING: 330900 CPU: 1318.68, 0.00398433/step Wall: 1318.68, 0.00398433/step, 0.187153 hours remaining, 109.652344 MB of memory in use. ENERGY: 330900 642.6524 1886.4358 2034.2384 113.8701 -14.4922 -1017.1460 153.4093 0.0000 2638.7260 6437.6937 291.4546 3798.9677 6468.1643 299.0358 PRESSURE: 331000 0 0 0 0 0 0 0 0 0 GPRESSURE: 331000 0 0 0 0 0 0 0 0 0 PRESSAVG: 331000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331000 0 0 0 0 0 0 0 0 0 TIMING: 331000 CPU: 1319.08, 0.00397344/step Wall: 1319.08, 0.00397344/step, 0.186531 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 331000 628.7240 1846.5237 2026.9872 92.8878 -12.2628 -1049.2666 181.5624 0.0000 2730.2050 6445.3607 301.5587 3715.1557 6480.6116 296.2471 PRESSURE: 331100 0 0 0 0 0 0 0 0 0 GPRESSURE: 331100 0 0 0 0 0 0 0 0 0 PRESSAVG: 331100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331100 0 0 0 0 0 0 0 0 0 TIMING: 331100 CPU: 1319.48, 0.00397388/step Wall: 1319.48, 0.00397388/step, 0.186441 hours remaining, 109.652344 MB of memory in use. ENERGY: 331100 684.4289 1914.2936 2052.9639 100.5787 -13.1638 -1079.2383 161.4129 0.0000 2637.9527 6459.2287 291.3692 3821.2760 6490.1484 299.0274 PRESSURE: 331200 0 0 0 0 0 0 0 0 0 GPRESSURE: 331200 0 0 0 0 0 0 0 0 0 PRESSAVG: 331200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331200 0 0 0 0 0 0 0 0 0 TIMING: 331200 CPU: 1319.88, 0.00398627/step Wall: 1319.88, 0.00398627/step, 0.186912 hours remaining, 109.652344 MB of memory in use. ENERGY: 331200 654.8945 1938.5483 2030.8572 106.4957 -14.1512 -1087.4569 162.8419 0.0000 2642.8062 6434.8358 291.9053 3792.0295 6470.1770 298.1803 PRESSURE: 331300 0 0 0 0 0 0 0 0 0 GPRESSURE: 331300 0 0 0 0 0 0 0 0 0 PRESSAVG: 331300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331300 0 0 0 0 0 0 0 0 0 TIMING: 331300 CPU: 1320.28, 0.00397626/step Wall: 1320.28, 0.00397626/step, 0.186332 hours remaining, 109.652344 MB of memory in use. ENERGY: 331300 653.1959 1839.0359 2023.7983 95.9297 -15.0794 -1015.8164 152.3504 0.0000 2676.3924 6409.8068 295.6150 3733.4144 6444.0204 296.0939 PRESSURE: 331400 0 0 0 0 0 0 0 0 0 GPRESSURE: 331400 0 0 0 0 0 0 0 0 0 PRESSAVG: 331400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331400 0 0 0 0 0 0 0 0 0 TIMING: 331400 CPU: 1320.67, 0.00398769/step Wall: 1320.67, 0.00398769/step, 0.186757 hours remaining, 109.652344 MB of memory in use. ENERGY: 331400 615.4548 1873.0965 2006.1158 97.6328 -15.1663 -1028.3920 153.1512 0.0000 2691.5492 6393.4422 297.2891 3701.8929 6427.2657 295.5235 PRESSURE: 331500 0 0 0 0 0 0 0 0 0 GPRESSURE: 331500 0 0 0 0 0 0 0 0 0 PRESSAVG: 331500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331500 0 0 0 0 0 0 0 0 0 TIMING: 331500 CPU: 1321.07, 0.00397377/step Wall: 1321.07, 0.00397376/step, 0.185994 hours remaining, 109.652344 MB of memory in use. ENERGY: 331500 630.5793 1907.7254 1999.2892 109.5352 -15.5713 -1082.0979 155.2743 0.0000 2629.6800 6334.4143 290.4555 3704.7342 6365.3387 293.2311 PRESSURE: 331600 0 0 0 0 0 0 0 0 0 GPRESSURE: 331600 0 0 0 0 0 0 0 0 0 PRESSAVG: 331600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331600 0 0 0 0 0 0 0 0 0 TIMING: 331600 CPU: 1321.47, 0.0039753/step Wall: 1321.47, 0.00397531/step, 0.185956 hours remaining, 109.652344 MB of memory in use. ENERGY: 331600 629.5504 1896.5897 2015.1910 94.6524 -14.8782 -1088.3887 156.0660 0.0000 2679.0544 6367.8372 295.9090 3688.7828 6403.0515 292.8459 PRESSURE: 331700 0 0 0 0 0 0 0 0 0 GPRESSURE: 331700 0 0 0 0 0 0 0 0 0 PRESSAVG: 331700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331700 0 0 0 0 0 0 0 0 0 TIMING: 331700 CPU: 1321.87, 0.00398607/step Wall: 1321.87, 0.00398607/step, 0.186349 hours remaining, 109.652344 MB of memory in use. ENERGY: 331700 637.5743 1831.4554 2014.6881 92.6610 -14.5328 -1054.9421 151.0785 0.0000 2719.8712 6377.8537 300.4174 3657.9825 6411.5882 294.0811 PRESSURE: 331800 0 0 0 0 0 0 0 0 0 GPRESSURE: 331800 0 0 0 0 0 0 0 0 0 PRESSAVG: 331800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331800 0 0 0 0 0 0 0 0 0 TIMING: 331800 CPU: 1322.27, 0.00397326/step Wall: 1322.27, 0.00397326/step, 0.18564 hours remaining, 109.652344 MB of memory in use. ENERGY: 331800 645.8582 1850.3204 2003.4298 99.4955 -15.2780 -1050.2227 161.9675 0.0000 2716.7963 6412.3670 300.0777 3695.5706 6446.9960 296.4358 PRESSURE: 331900 0 0 0 0 0 0 0 0 0 GPRESSURE: 331900 0 0 0 0 0 0 0 0 0 PRESSAVG: 331900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 331900 0 0 0 0 0 0 0 0 0 TIMING: 331900 CPU: 1322.66, 0.00398244/step Wall: 1322.66, 0.00398244/step, 0.185958 hours remaining, 109.652344 MB of memory in use. ENERGY: 331900 649.4704 1941.2514 2009.2235 112.4457 -15.3706 -1076.1751 137.5446 0.0000 2696.0612 6454.4511 297.7875 3758.3899 6487.8990 298.4080 PRESSURE: 332000 0 0 0 0 0 0 0 0 0 GPRESSURE: 332000 0 0 0 0 0 0 0 0 0 PRESSAVG: 332000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332000 0 0 0 0 0 0 0 0 0 TIMING: 332000 CPU: 1323.06, 0.00397591/step Wall: 1323.06, 0.00397591/step, 0.185543 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 332000 682.3081 1882.5421 2022.0886 89.6759 -14.8565 -1027.6304 166.8469 0.0000 2694.6058 6495.5805 297.6267 3800.9747 6528.4230 298.8056 PRESSURE: 332100 0 0 0 0 0 0 0 0 0 GPRESSURE: 332100 0 0 0 0 0 0 0 0 0 PRESSAVG: 332100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332100 0 0 0 0 0 0 0 0 0 TIMING: 332100 CPU: 1323.46, 0.00397778/step Wall: 1323.46, 0.00397778/step, 0.185519 hours remaining, 109.652344 MB of memory in use. ENERGY: 332100 631.3207 1931.9175 2025.9658 91.2497 -14.2702 -1053.5018 169.7254 0.0000 2687.8495 6470.2568 296.8805 3782.4073 6504.3526 299.1413 PRESSURE: 332200 0 0 0 0 0 0 0 0 0 GPRESSURE: 332200 0 0 0 0 0 0 0 0 0 PRESSAVG: 332200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332200 0 0 0 0 0 0 0 0 0 TIMING: 332200 CPU: 1323.86, 0.00398783/step Wall: 1323.86, 0.00398783/step, 0.185877 hours remaining, 109.652344 MB of memory in use. ENERGY: 332200 655.3356 1847.6353 1997.9999 102.3686 -15.5194 -1045.3784 158.3352 0.0000 2689.9991 6390.7759 297.1179 3700.7768 6421.7980 296.5423 LDB: ============= START OF LOAD BALANCING ============== 1326.63 LDB: ============== END OF LOAD BALANCING =============== 1326.63 LDB: =============== DONE WITH MIGRATION ================ 1326.63 PRESSURE: 332300 0 0 0 0 0 0 0 0 0 GPRESSURE: 332300 0 0 0 0 0 0 0 0 0 PRESSAVG: 332300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332300 0 0 0 0 0 0 0 0 0 TIMING: 332300 CPU: 1324.25, 0.00397441/step Wall: 1324.25, 0.00397441/step, 0.185141 hours remaining, 109.652344 MB of memory in use. ENERGY: 332300 639.7514 1914.6392 2002.1014 97.1208 -14.9489 -1045.0896 157.9321 0.0000 2648.0775 6399.5838 292.4875 3751.5063 6430.3358 295.7506 LDB: ============= START OF LOAD BALANCING ============== 1327.03 LDB: ============== END OF LOAD BALANCING =============== 1327.03 LDB: =============== DONE WITH MIGRATION ================ 1327.03 PRESSURE: 332400 0 0 0 0 0 0 0 0 0 GPRESSURE: 332400 0 0 0 0 0 0 0 0 0 PRESSAVG: 332400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332400 0 0 0 0 0 0 0 0 0 TIMING: 332400 CPU: 1324.65, 0.00399445/step Wall: 1324.65, 0.00399445/step, 0.185964 hours remaining, 109.652344 MB of memory in use. ENERGY: 332400 631.0171 1929.8652 1996.8374 97.2778 -15.1489 -1090.8039 150.8745 0.0000 2676.5309 6376.4500 295.6303 3699.9191 6409.8590 294.6061 PRESSURE: 332500 0 0 0 0 0 0 0 0 0 GPRESSURE: 332500 0 0 0 0 0 0 0 0 0 PRESSAVG: 332500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332500 0 0 0 0 0 0 0 0 0 TIMING: 332500 CPU: 1325.05, 0.0039745/step Wall: 1325.05, 0.0039745/step, 0.184925 hours remaining, 109.652344 MB of memory in use. ENERGY: 332500 630.5765 1827.2221 2014.1182 106.8374 -14.4447 -1047.3520 149.9560 0.0000 2712.3270 6379.2405 299.5841 3666.9135 6414.3787 295.0476 PRESSURE: 332600 0 0 0 0 0 0 0 0 0 GPRESSURE: 332600 0 0 0 0 0 0 0 0 0 PRESSAVG: 332600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332600 0 0 0 0 0 0 0 0 0 TIMING: 332600 CPU: 1325.45, 0.00397334/step Wall: 1325.45, 0.00397334/step, 0.18476 hours remaining, 109.652344 MB of memory in use. ENERGY: 332600 631.3049 1870.2707 1997.2534 100.4268 -14.6476 -1050.7415 166.0891 0.0000 2700.7205 6400.6762 298.3021 3699.9557 6435.3413 295.7233 PRESSURE: 332700 0 0 0 0 0 0 0 0 0 GPRESSURE: 332700 0 0 0 0 0 0 0 0 0 PRESSAVG: 332700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332700 0 0 0 0 0 0 0 0 0 TIMING: 332700 CPU: 1325.85, 0.00398468/step Wall: 1325.85, 0.00398468/step, 0.185177 hours remaining, 109.652344 MB of memory in use. ENERGY: 332700 656.5601 1841.2829 2031.8244 100.5454 -15.1769 -1059.7279 156.4017 0.0000 2684.1009 6395.8107 296.4664 3711.7098 6429.7258 295.8382 PRESSURE: 332800 0 0 0 0 0 0 0 0 0 GPRESSURE: 332800 0 0 0 0 0 0 0 0 0 PRESSAVG: 332800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332800 0 0 0 0 0 0 0 0 0 TIMING: 332800 CPU: 1326.24, 0.00397394/step Wall: 1326.24, 0.00397394/step, 0.184568 hours remaining, 109.652344 MB of memory in use. ENERGY: 332800 662.3051 1827.8175 2007.3998 110.5479 -14.5456 -1066.5156 160.9948 0.0000 2699.2684 6387.2723 298.1417 3688.0039 6420.9399 294.4439 PRESSURE: 332900 0 0 0 0 0 0 0 0 0 GPRESSURE: 332900 0 0 0 0 0 0 0 0 0 PRESSAVG: 332900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 332900 0 0 0 0 0 0 0 0 0 TIMING: 332900 CPU: 1326.64, 0.00398637/step Wall: 1326.64, 0.00398637/step, 0.185034 hours remaining, 109.652344 MB of memory in use. ENERGY: 332900 651.9267 1815.5606 2017.4249 99.4683 -14.8935 -1062.9959 148.8834 0.0000 2730.9712 6386.3457 301.6434 3655.3745 6419.1534 295.2805 PRESSURE: 333000 0 0 0 0 0 0 0 0 0 GPRESSURE: 333000 0 0 0 0 0 0 0 0 0 PRESSAVG: 333000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333000 0 0 0 0 0 0 0 0 0 TIMING: 333000 CPU: 1327.04, 0.00397652/step Wall: 1327.04, 0.00397652/step, 0.184466 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 333000 634.9166 1846.7654 2015.0372 102.5067 -14.4522 -1029.7958 157.6642 0.0000 2684.0993 6396.7414 296.4662 3712.6421 6432.6556 294.8274 PRESSURE: 333100 0 0 0 0 0 0 0 0 0 GPRESSURE: 333100 0 0 0 0 0 0 0 0 0 PRESSAVG: 333100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333100 0 0 0 0 0 0 0 0 0 TIMING: 333100 CPU: 1327.44, 0.0039773/step Wall: 1327.44, 0.0039773/step, 0.184392 hours remaining, 109.652344 MB of memory in use. ENERGY: 333100 623.8824 1851.3113 2020.4647 100.3375 -15.3035 -1050.3260 150.5024 0.0000 2725.4059 6406.2747 301.0287 3680.8688 6440.0561 296.2454 PRESSURE: 333200 0 0 0 0 0 0 0 0 0 GPRESSURE: 333200 0 0 0 0 0 0 0 0 0 PRESSAVG: 333200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333200 0 0 0 0 0 0 0 0 0 TIMING: 333200 CPU: 1327.84, 0.00398398/step Wall: 1327.84, 0.00398398/step, 0.184591 hours remaining, 109.652344 MB of memory in use. ENERGY: 333200 628.1066 1894.6311 2014.4843 104.8667 -14.1142 -1060.4466 158.2592 0.0000 2658.2708 6384.0580 293.6134 3725.7871 6412.8964 295.1641 PRESSURE: 333300 0 0 0 0 0 0 0 0 0 GPRESSURE: 333300 0 0 0 0 0 0 0 0 0 PRESSAVG: 333300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333300 0 0 0 0 0 0 0 0 0 TIMING: 333300 CPU: 1328.23, 0.00397483/step Wall: 1328.23, 0.00397483/step, 0.184057 hours remaining, 109.652344 MB of memory in use. ENERGY: 333300 650.2946 1852.1044 2033.8928 89.4785 -13.8668 -1032.4181 169.8435 0.0000 2653.2527 6402.5816 293.0591 3749.3289 6436.9536 295.5005 PRESSURE: 333400 0 0 0 0 0 0 0 0 0 GPRESSURE: 333400 0 0 0 0 0 0 0 0 0 PRESSAVG: 333400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333400 0 0 0 0 0 0 0 0 0 TIMING: 333400 CPU: 1328.63, 0.00398574/step Wall: 1328.63, 0.00398574/step, 0.184451 hours remaining, 109.652344 MB of memory in use. ENERGY: 333400 680.7439 1896.8842 2024.1043 113.4672 -14.0025 -1070.6646 158.6303 0.0000 2653.7872 6442.9500 293.1182 3789.1628 6475.3388 297.8987 PRESSURE: 333500 0 0 0 0 0 0 0 0 0 GPRESSURE: 333500 0 0 0 0 0 0 0 0 0 PRESSAVG: 333500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333500 0 0 0 0 0 0 0 0 0 TIMING: 333500 CPU: 1329.03, 0.0039735/step Wall: 1329.03, 0.0039735/step, 0.183774 hours remaining, 109.652344 MB of memory in use. ENERGY: 333500 685.2921 1862.4898 2007.0509 92.6185 -14.2357 -1052.9401 170.1590 0.0000 2717.7929 6468.2275 300.1878 3750.4346 6500.7827 298.7764 PRESSURE: 333600 0 0 0 0 0 0 0 0 0 GPRESSURE: 333600 0 0 0 0 0 0 0 0 0 PRESSAVG: 333600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333600 0 0 0 0 0 0 0 0 0 TIMING: 333600 CPU: 1329.43, 0.00397785/step Wall: 1329.43, 0.00397785/step, 0.183865 hours remaining, 109.652344 MB of memory in use. ENERGY: 333600 666.7586 1904.0038 2007.5086 96.6668 -14.0518 -1054.6711 172.2343 0.0000 2710.0547 6488.5039 299.3331 3778.4493 6519.8653 301.0832 PRESSURE: 333700 0 0 0 0 0 0 0 0 0 GPRESSURE: 333700 0 0 0 0 0 0 0 0 0 PRESSAVG: 333700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333700 0 0 0 0 0 0 0 0 0 TIMING: 333700 CPU: 1329.83, 0.00398553/step Wall: 1329.83, 0.00398553/step, 0.184109 hours remaining, 109.652344 MB of memory in use. ENERGY: 333700 645.5835 1916.6635 2018.8126 98.8735 -15.1215 -1046.0548 157.0843 0.0000 2718.3207 6494.1618 300.2461 3775.8411 6524.1503 301.8345 PRESSURE: 333800 0 0 0 0 0 0 0 0 0 GPRESSURE: 333800 0 0 0 0 0 0 0 0 0 PRESSAVG: 333800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333800 0 0 0 0 0 0 0 0 0 TIMING: 333800 CPU: 1330.22, 0.00397768/step Wall: 1330.22, 0.00397768/step, 0.183636 hours remaining, 109.652344 MB of memory in use. ENERGY: 333800 637.3239 1885.8252 2045.7320 107.2546 -14.0874 -1054.9685 154.4308 0.0000 2712.6768 6474.1874 299.6227 3761.5106 6507.8150 299.2746 PRESSURE: 333900 0 0 0 0 0 0 0 0 0 GPRESSURE: 333900 0 0 0 0 0 0 0 0 0 PRESSAVG: 333900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 333900 0 0 0 0 0 0 0 0 0 TIMING: 333900 CPU: 1330.62, 0.00398478/step Wall: 1330.62, 0.00398478/step, 0.183853 hours remaining, 109.652344 MB of memory in use. ENERGY: 333900 647.6098 1864.0371 2037.4586 104.0210 -14.4780 -1049.2731 176.8687 0.0000 2719.1560 6485.4002 300.3384 3766.2442 6517.1617 300.0739 PRESSURE: 334000 0 0 0 0 0 0 0 0 0 GPRESSURE: 334000 0 0 0 0 0 0 0 0 0 PRESSAVG: 334000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334000 0 0 0 0 0 0 0 0 0 TIMING: 334000 CPU: 1331.02, 0.00397293/step Wall: 1331.02, 0.00397293/step, 0.183196 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 334000 660.0908 1919.3368 2031.2349 109.6718 -14.3509 -1062.6757 157.2008 0.0000 2667.0443 6467.5528 294.5825 3800.5085 6499.2140 299.8450 PRESSURE: 334100 0 0 0 0 0 0 0 0 0 GPRESSURE: 334100 0 0 0 0 0 0 0 0 0 PRESSAVG: 334100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334100 0 0 0 0 0 0 0 0 0 TIMING: 334100 CPU: 1331.42, 0.00400816/step Wall: 1331.42, 0.00400816/step, 0.184709 hours remaining, 109.652344 MB of memory in use. ENERGY: 334100 672.6357 1865.3457 2032.4396 90.4932 -14.2316 -1032.6764 156.4182 0.0000 2718.8715 6489.2960 300.3069 3770.4245 6522.9716 300.2581 PRESSURE: 334200 0 0 0 0 0 0 0 0 0 GPRESSURE: 334200 0 0 0 0 0 0 0 0 0 PRESSAVG: 334200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334200 0 0 0 0 0 0 0 0 0 TIMING: 334200 CPU: 1331.82, 0.00398916/step Wall: 1331.82, 0.00398916/step, 0.183723 hours remaining, 109.652344 MB of memory in use. ENERGY: 334200 625.4295 1845.3613 2042.5653 108.0869 -14.6146 -1058.8626 180.9636 0.0000 2740.5331 6469.4624 302.6995 3728.9294 6500.8466 301.4318 PRESSURE: 334300 0 0 0 0 0 0 0 0 0 GPRESSURE: 334300 0 0 0 0 0 0 0 0 0 PRESSAVG: 334300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334300 0 0 0 0 0 0 0 0 0 TIMING: 334300 CPU: 1332.22, 0.00398028/step Wall: 1332.22, 0.00398028/step, 0.183203 hours remaining, 109.652344 MB of memory in use. ENERGY: 334300 649.1713 1847.5195 2004.2187 103.2093 -14.9362 -1006.5705 150.2333 0.0000 2747.3711 6480.2166 303.4548 3732.8455 6509.5538 300.1648 PRESSURE: 334400 0 0 0 0 0 0 0 0 0 GPRESSURE: 334400 0 0 0 0 0 0 0 0 0 PRESSAVG: 334400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334400 0 0 0 0 0 0 0 0 0 TIMING: 334400 CPU: 1332.62, 0.0039902/step Wall: 1332.62, 0.0039902/step, 0.183549 hours remaining, 109.652344 MB of memory in use. ENERGY: 334400 637.4140 1926.7108 2030.2682 100.2099 -15.0659 -1055.5315 170.4647 0.0000 2666.4140 6460.8843 294.5129 3794.4703 6490.5365 300.6522 PRESSURE: 334500 0 0 0 0 0 0 0 0 0 GPRESSURE: 334500 0 0 0 0 0 0 0 0 0 PRESSAVG: 334500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334500 0 0 0 0 0 0 0 0 0 TIMING: 334500 CPU: 1333.02, 0.0039764/step Wall: 1333.02, 0.0039764/step, 0.182804 hours remaining, 109.652344 MB of memory in use. ENERGY: 334500 650.3527 1866.9452 2075.5235 108.5422 -14.0121 -1033.6741 171.7773 0.0000 2636.6632 6462.1179 291.2268 3825.4548 6493.2857 299.9899 PRESSURE: 334600 0 0 0 0 0 0 0 0 0 GPRESSURE: 334600 0 0 0 0 0 0 0 0 0 PRESSAVG: 334600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334600 0 0 0 0 0 0 0 0 0 TIMING: 334600 CPU: 1333.41, 0.00397747/step Wall: 1333.41, 0.00397747/step, 0.182743 hours remaining, 109.652344 MB of memory in use. ENERGY: 334600 642.9950 1877.2037 2025.6263 87.2729 -15.5350 -1061.0338 161.0636 0.0000 2727.5658 6445.1586 301.2672 3717.5927 6477.3760 297.3708 PRESSURE: 334700 0 0 0 0 0 0 0 0 0 GPRESSURE: 334700 0 0 0 0 0 0 0 0 0 PRESSAVG: 334700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334700 0 0 0 0 0 0 0 0 0 TIMING: 334700 CPU: 1333.81, 0.00398642/step Wall: 1333.81, 0.00398642/step, 0.183043 hours remaining, 109.652344 MB of memory in use. ENERGY: 334700 662.0081 1852.9481 2037.0339 114.5503 -13.9313 -1052.5771 168.9060 0.0000 2724.4878 6493.4257 300.9273 3768.9379 6525.5195 299.1604 PRESSURE: 334800 0 0 0 0 0 0 0 0 0 GPRESSURE: 334800 0 0 0 0 0 0 0 0 0 PRESSAVG: 334800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334800 0 0 0 0 0 0 0 0 0 TIMING: 334800 CPU: 1334.21, 0.00397169/step Wall: 1334.21, 0.00397169/step, 0.182256 hours remaining, 109.652344 MB of memory in use. ENERGY: 334800 663.6310 1844.1689 2038.3534 93.5172 -14.2902 -1059.4244 150.8444 0.0000 2718.2192 6435.0195 300.2349 3716.8003 6466.1138 298.7870 PRESSURE: 334900 0 0 0 0 0 0 0 0 0 GPRESSURE: 334900 0 0 0 0 0 0 0 0 0 PRESSAVG: 334900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 334900 0 0 0 0 0 0 0 0 0 TIMING: 334900 CPU: 1334.61, 0.00399029/step Wall: 1334.61, 0.00399029/step, 0.182999 hours remaining, 109.652344 MB of memory in use. ENERGY: 334900 627.4692 1832.7173 2000.0319 103.7243 -14.3831 -1052.6280 165.4171 0.0000 2752.3187 6414.6675 304.0013 3662.3488 6449.9984 297.0608 PRESSURE: 335000 0 0 0 0 0 0 0 0 0 GPRESSURE: 335000 0 0 0 0 0 0 0 0 0 PRESSAVG: 335000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335000 0 0 0 0 0 0 0 0 0 TIMING: 335000 CPU: 1335, 0.00397247/step Wall: 1335, 0.00397247/step, 0.182072 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 335000 629.9741 1854.2472 2027.7662 102.1333 -14.9400 -1043.1344 161.6626 0.0000 2735.1300 6452.8390 302.1027 3717.7090 6482.2981 298.8754 PRESSURE: 335100 0 0 0 0 0 0 0 0 0 GPRESSURE: 335100 0 0 0 0 0 0 0 0 0 PRESSAVG: 335100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335100 0 0 0 0 0 0 0 0 0 TIMING: 335100 CPU: 1335.4, 0.00397513/step Wall: 1335.4, 0.00397513/step, 0.182083 hours remaining, 109.652344 MB of memory in use. ENERGY: 335100 668.5752 1868.1116 2027.4173 103.0776 -13.7013 -1060.4028 175.2797 0.0000 2657.7667 6426.1240 293.5577 3768.3572 6457.8054 297.8171 PRESSURE: 335200 0 0 0 0 0 0 0 0 0 GPRESSURE: 335200 0 0 0 0 0 0 0 0 0 PRESSAVG: 335200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335200 0 0 0 0 0 0 0 0 0 TIMING: 335200 CPU: 1335.8, 0.00398592/step Wall: 1335.8, 0.00398592/step, 0.182467 hours remaining, 109.652344 MB of memory in use. ENERGY: 335200 682.4666 1867.5173 2024.4102 107.0754 -13.8382 -1023.6013 150.2949 0.0000 2663.8213 6458.1462 294.2265 3794.3249 6487.5107 298.1580 PRESSURE: 335300 0 0 0 0 0 0 0 0 0 GPRESSURE: 335300 0 0 0 0 0 0 0 0 0 PRESSAVG: 335300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335300 0 0 0 0 0 0 0 0 0 TIMING: 335300 CPU: 1336.2, 0.00397388/step Wall: 1336.2, 0.00397388/step, 0.181805 hours remaining, 109.652344 MB of memory in use. ENERGY: 335300 657.2953 1882.8950 2011.8075 103.5870 -14.3330 -1054.1613 162.0652 0.0000 2706.0864 6455.2420 298.8948 3749.1556 6489.1968 298.3809 PRESSURE: 335400 0 0 0 0 0 0 0 0 0 GPRESSURE: 335400 0 0 0 0 0 0 0 0 0 PRESSAVG: 335400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335400 0 0 0 0 0 0 0 0 0 TIMING: 335400 CPU: 1336.6, 0.00398858/step Wall: 1336.6, 0.00398858/step, 0.182367 hours remaining, 109.652344 MB of memory in use. ENERGY: 335400 667.7367 1862.3132 2028.2585 99.4098 -14.6479 -1015.7286 152.9047 0.0000 2664.6441 6444.8907 294.3174 3780.2465 6477.4254 297.6990 PRESSURE: 335500 0 0 0 0 0 0 0 0 0 GPRESSURE: 335500 0 0 0 0 0 0 0 0 0 PRESSAVG: 335500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335500 0 0 0 0 0 0 0 0 0 TIMING: 335500 CPU: 1336.99, 0.00397288/step Wall: 1336.99, 0.00397288/step, 0.181539 hours remaining, 109.652344 MB of memory in use. ENERGY: 335500 615.5316 1938.3053 2015.5785 105.0818 -13.3923 -1047.7403 180.4145 0.0000 2659.9804 6453.7596 293.8022 3793.7792 6487.0826 297.7292 PRESSURE: 335600 0 0 0 0 0 0 0 0 0 GPRESSURE: 335600 0 0 0 0 0 0 0 0 0 PRESSAVG: 335600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335600 0 0 0 0 0 0 0 0 0 TIMING: 335600 CPU: 1337.39, 0.00397826/step Wall: 1337.39, 0.00397826/step, 0.181674 hours remaining, 109.652344 MB of memory in use. ENERGY: 335600 677.1457 1817.4092 2031.5027 95.5584 -15.0573 -1055.4933 164.3507 0.0000 2745.5875 6461.0037 303.2578 3715.4162 6495.5178 297.7624 PRESSURE: 335700 0 0 0 0 0 0 0 0 0 GPRESSURE: 335700 0 0 0 0 0 0 0 0 0 PRESSAVG: 335700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335700 0 0 0 0 0 0 0 0 0 TIMING: 335700 CPU: 1337.79, 0.00398652/step Wall: 1337.79, 0.00398652/step, 0.18194 hours remaining, 109.652344 MB of memory in use. ENERGY: 335700 667.3180 1926.0048 2020.3892 101.5681 -15.4881 -1035.8536 156.5515 0.0000 2664.6777 6485.1676 294.3211 3820.4898 6516.2633 299.8677 PRESSURE: 335800 0 0 0 0 0 0 0 0 0 GPRESSURE: 335800 0 0 0 0 0 0 0 0 0 PRESSAVG: 335800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335800 0 0 0 0 0 0 0 0 0 TIMING: 335800 CPU: 1338.19, 0.00397035/step Wall: 1338.19, 0.00397035/step, 0.181092 hours remaining, 109.652344 MB of memory in use. ENERGY: 335800 683.0996 1876.6536 2004.1240 99.8634 -15.2712 -1051.6260 172.4418 0.0000 2698.5540 6467.8392 298.0628 3769.2852 6500.7972 300.6553 PRESSURE: 335900 0 0 0 0 0 0 0 0 0 GPRESSURE: 335900 0 0 0 0 0 0 0 0 0 PRESSAVG: 335900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 335900 0 0 0 0 0 0 0 0 0 TIMING: 335900 CPU: 1338.59, 0.00398642/step Wall: 1338.59, 0.00398642/step, 0.181714 hours remaining, 109.652344 MB of memory in use. ENERGY: 335900 645.9594 1863.2463 2024.7946 113.2675 -13.8936 -1034.6459 169.7938 0.0000 2715.6025 6484.1246 299.9459 3768.5221 6518.0985 298.1749 PRESSURE: 336000 0 0 0 0 0 0 0 0 0 GPRESSURE: 336000 0 0 0 0 0 0 0 0 0 PRESSAVG: 336000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336000 0 0 0 0 0 0 0 0 0 TIMING: 336000 CPU: 1338.98, 0.0039745/step Wall: 1338.98, 0.0039745/step, 0.181061 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 336000 667.2455 1890.7612 2014.3660 110.4296 -14.9154 -1045.6050 179.1039 0.0000 2688.4978 6489.8836 296.9521 3801.3858 6519.9225 299.0692 PRESSURE: 336100 0 0 0 0 0 0 0 0 0 GPRESSURE: 336100 0 0 0 0 0 0 0 0 0 PRESSAVG: 336100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336100 0 0 0 0 0 0 0 0 0 TIMING: 336100 CPU: 1339.38, 0.00397543/step Wall: 1339.38, 0.00397543/step, 0.180992 hours remaining, 109.652344 MB of memory in use. ENERGY: 336100 641.9376 1850.5890 2033.6561 101.3565 -15.8743 -1035.5122 178.6987 0.0000 2740.4038 6495.2553 302.6852 3754.8515 6531.0133 300.3928 PRESSURE: 336200 0 0 0 0 0 0 0 0 0 GPRESSURE: 336200 0 0 0 0 0 0 0 0 0 PRESSAVG: 336200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336200 0 0 0 0 0 0 0 0 0 TIMING: 336200 CPU: 1339.78, 0.00398714/step Wall: 1339.78, 0.00398714/step, 0.181415 hours remaining, 109.652344 MB of memory in use. ENERGY: 336200 665.3680 1888.2534 2016.4949 109.6968 -14.1093 -1056.2951 182.5217 0.0000 2698.4229 6490.3533 298.0483 3791.9305 6521.5818 300.2990 LDB: ============= START OF LOAD BALANCING ============== 1342.56 LDB: ============== END OF LOAD BALANCING =============== 1342.56 LDB: =============== DONE WITH MIGRATION ================ 1342.56 PRESSURE: 336300 0 0 0 0 0 0 0 0 0 GPRESSURE: 336300 0 0 0 0 0 0 0 0 0 PRESSAVG: 336300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336300 0 0 0 0 0 0 0 0 0 TIMING: 336300 CPU: 1340.18, 0.00397563/step Wall: 1340.18, 0.00397563/step, 0.180781 hours remaining, 109.652344 MB of memory in use. ENERGY: 336300 662.5307 1857.4533 2015.7562 119.4767 -13.5268 -1061.4775 171.1560 0.0000 2676.3288 6427.6973 295.6080 3751.3685 6459.8212 299.2337 LDB: ============= START OF LOAD BALANCING ============== 1342.96 LDB: ============== END OF LOAD BALANCING =============== 1342.96 LDB: =============== DONE WITH MIGRATION ================ 1342.96 PRESSURE: 336400 0 0 0 0 0 0 0 0 0 GPRESSURE: 336400 0 0 0 0 0 0 0 0 0 PRESSAVG: 336400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336400 0 0 0 0 0 0 0 0 0 TIMING: 336400 CPU: 1340.58, 0.00399602/step Wall: 1340.58, 0.00399601/step, 0.181596 hours remaining, 109.652344 MB of memory in use. ENERGY: 336400 635.5684 1849.5015 2025.3048 105.7100 -13.9106 -1054.4115 166.7096 0.0000 2666.1819 6380.6542 294.4872 3714.4723 6414.3404 295.8239 PRESSURE: 336500 0 0 0 0 0 0 0 0 0 GPRESSURE: 336500 0 0 0 0 0 0 0 0 0 PRESSAVG: 336500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336500 0 0 0 0 0 0 0 0 0 TIMING: 336500 CPU: 1340.97, 0.00397192/step Wall: 1340.97, 0.00397193/step, 0.180392 hours remaining, 109.652344 MB of memory in use. ENERGY: 336500 612.3403 1835.6940 2030.1466 110.7269 -13.9085 -1048.6222 175.1160 0.0000 2689.2837 6390.7768 297.0389 3701.4931 6425.3171 294.8699 PRESSURE: 336600 0 0 0 0 0 0 0 0 0 GPRESSURE: 336600 0 0 0 0 0 0 0 0 0 PRESSAVG: 336600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336600 0 0 0 0 0 0 0 0 0 TIMING: 336600 CPU: 1341.37, 0.00397259/step Wall: 1341.37, 0.00397258/step, 0.180311 hours remaining, 109.652344 MB of memory in use. ENERGY: 336600 636.0417 1911.1619 2002.7733 98.5393 -14.9815 -1080.8228 159.9609 0.0000 2672.8181 6385.4911 295.2202 3712.6730 6414.9256 294.3923 PRESSURE: 336700 0 0 0 0 0 0 0 0 0 GPRESSURE: 336700 0 0 0 0 0 0 0 0 0 PRESSAVG: 336700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336700 0 0 0 0 0 0 0 0 0 TIMING: 336700 CPU: 1341.77, 0.00398533/step Wall: 1341.77, 0.00398534/step, 0.180779 hours remaining, 109.652344 MB of memory in use. ENERGY: 336700 652.0552 1830.6262 2007.4816 99.9922 -14.4837 -1051.8489 158.5221 0.0000 2714.2656 6396.6104 299.7982 3682.3448 6430.9650 295.7156 PRESSURE: 336800 0 0 0 0 0 0 0 0 0 GPRESSURE: 336800 0 0 0 0 0 0 0 0 0 PRESSAVG: 336800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336800 0 0 0 0 0 0 0 0 0 TIMING: 336800 CPU: 1342.17, 0.00397307/step Wall: 1342.17, 0.00397307/step, 0.180112 hours remaining, 109.652344 MB of memory in use. ENERGY: 336800 662.7726 1901.9840 2000.7767 94.4404 -13.1616 -1049.8563 164.8215 0.0000 2657.1480 6418.9253 293.4894 3761.7773 6450.1106 294.9305 PRESSURE: 336900 0 0 0 0 0 0 0 0 0 GPRESSURE: 336900 0 0 0 0 0 0 0 0 0 PRESSAVG: 336900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 336900 0 0 0 0 0 0 0 0 0 TIMING: 336900 CPU: 1342.57, 0.00397696/step Wall: 1342.57, 0.00397696/step, 0.180178 hours remaining, 109.652344 MB of memory in use. ENERGY: 336900 638.5309 1832.3130 2024.7035 114.3829 -13.9923 -1078.3848 186.9151 0.0000 2745.5931 6450.0614 303.2584 3704.4683 6486.2568 296.3386 PRESSURE: 337000 0 0 0 0 0 0 0 0 0 GPRESSURE: 337000 0 0 0 0 0 0 0 0 0 PRESSAVG: 337000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337000 0 0 0 0 0 0 0 0 0 TIMING: 337000 CPU: 1342.96, 0.00398076/step Wall: 1342.96, 0.00398076/step, 0.18024 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 337000 621.7813 1879.5282 2021.5627 107.6244 -13.7781 -1034.6408 158.6743 0.0000 2746.9874 6487.7393 303.4124 3740.7519 6522.2206 299.0773 PRESSURE: 337100 0 0 0 0 0 0 0 0 0 GPRESSURE: 337100 0 0 0 0 0 0 0 0 0 PRESSAVG: 337100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337100 0 0 0 0 0 0 0 0 0 TIMING: 337100 CPU: 1343.36, 0.00397736/step Wall: 1343.36, 0.00397736/step, 0.179976 hours remaining, 109.652344 MB of memory in use. ENERGY: 337100 677.6690 1900.3247 2026.0322 94.8891 -14.4604 -1065.9931 170.2238 0.0000 2687.6390 6476.3244 296.8572 3788.6854 6509.3994 300.9178 PRESSURE: 337200 0 0 0 0 0 0 0 0 0 GPRESSURE: 337200 0 0 0 0 0 0 0 0 0 PRESSAVG: 337200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337200 0 0 0 0 0 0 0 0 0 TIMING: 337200 CPU: 1343.76, 0.00398544/step Wall: 1343.76, 0.00398544/step, 0.18023 hours remaining, 109.652344 MB of memory in use. ENERGY: 337200 669.6287 1839.8000 2006.2145 110.5432 -14.1905 -1061.0574 162.5114 0.0000 2741.8385 6455.2883 302.8437 3713.4497 6488.2264 298.9114 PRESSURE: 337300 0 0 0 0 0 0 0 0 0 GPRESSURE: 337300 0 0 0 0 0 0 0 0 0 PRESSAVG: 337300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337300 0 0 0 0 0 0 0 0 0 TIMING: 337300 CPU: 1344.16, 0.00397326/step Wall: 1344.16, 0.00397326/step, 0.179569 hours remaining, 109.652344 MB of memory in use. ENERGY: 337300 654.9922 1889.6683 2015.1862 109.6127 -14.2241 -1031.5673 152.9257 0.0000 2689.4355 6466.0292 297.0556 3776.5937 6496.2901 298.0212 PRESSURE: 337400 0 0 0 0 0 0 0 0 0 GPRESSURE: 337400 0 0 0 0 0 0 0 0 0 PRESSAVG: 337400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337400 0 0 0 0 0 0 0 0 0 TIMING: 337400 CPU: 1344.55, 0.00397647/step Wall: 1344.55, 0.00397647/step, 0.179604 hours remaining, 109.652344 MB of memory in use. ENERGY: 337400 646.7220 1885.4212 2010.8916 120.6444 -14.7378 -1070.2327 172.8692 0.0000 2674.6401 6426.2179 295.4214 3751.5778 6459.1200 298.3359 PRESSURE: 337500 0 0 0 0 0 0 0 0 0 GPRESSURE: 337500 0 0 0 0 0 0 0 0 0 PRESSAVG: 337500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337500 0 0 0 0 0 0 0 0 0 TIMING: 337500 CPU: 1344.95, 0.00398684/step Wall: 1344.95, 0.00398684/step, 0.179962 hours remaining, 109.652344 MB of memory in use. ENERGY: 337500 672.2923 1833.0055 2015.4532 99.4790 -13.6729 -1056.1897 156.7640 0.0000 2708.6007 6415.7321 299.1725 3707.1314 6449.5314 296.4034 PRESSURE: 337600 0 0 0 0 0 0 0 0 0 GPRESSURE: 337600 0 0 0 0 0 0 0 0 0 PRESSAVG: 337600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337600 0 0 0 0 0 0 0 0 0 TIMING: 337600 CPU: 1345.35, 0.00397826/step Wall: 1345.35, 0.00397825/step, 0.179463 hours remaining, 109.652344 MB of memory in use. ENERGY: 337600 646.3881 1885.7388 2034.1528 98.7354 -14.0278 -1075.7781 166.7142 0.0000 2685.0083 6426.9316 296.5666 3741.9234 6461.0838 297.2984 PRESSURE: 337700 0 0 0 0 0 0 0 0 0 GPRESSURE: 337700 0 0 0 0 0 0 0 0 0 PRESSAVG: 337700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337700 0 0 0 0 0 0 0 0 0 TIMING: 337700 CPU: 1345.75, 0.00398521/step Wall: 1345.75, 0.00398522/step, 0.179667 hours remaining, 109.652344 MB of memory in use. ENERGY: 337700 642.7609 1849.9014 2022.8016 86.8039 -14.8181 -1034.7393 152.4544 0.0000 2738.8175 6443.9823 302.5100 3705.1647 6478.2653 297.5388 PRESSURE: 337800 0 0 0 0 0 0 0 0 0 GPRESSURE: 337800 0 0 0 0 0 0 0 0 0 PRESSAVG: 337800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337800 0 0 0 0 0 0 0 0 0 TIMING: 337800 CPU: 1346.15, 0.00397216/step Wall: 1346.15, 0.00397216/step, 0.178968 hours remaining, 109.652344 MB of memory in use. ENERGY: 337800 672.4269 1839.6309 2011.9928 107.6571 -13.8685 -1055.5336 168.4900 0.0000 2687.5916 6418.3871 296.8520 3730.7956 6451.8364 296.8387 PRESSURE: 337900 0 0 0 0 0 0 0 0 0 GPRESSURE: 337900 0 0 0 0 0 0 0 0 0 PRESSAVG: 337900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 337900 0 0 0 0 0 0 0 0 0 TIMING: 337900 CPU: 1346.54, 0.00397319/step Wall: 1346.54, 0.00397319/step, 0.178904 hours remaining, 109.652344 MB of memory in use. ENERGY: 337900 681.1337 1928.7843 1968.0979 92.8230 -14.6675 -1069.1350 173.0570 0.0000 2685.4611 6445.5545 296.6167 3760.0934 6477.3573 296.2248 PRESSURE: 338000 0 0 0 0 0 0 0 0 0 GPRESSURE: 338000 0 0 0 0 0 0 0 0 0 PRESSAVG: 338000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338000 0 0 0 0 0 0 0 0 0 TIMING: 338000 CPU: 1346.94, 0.00398581/step Wall: 1346.94, 0.00398581/step, 0.179361 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 338000 648.5921 1846.5077 1990.2500 99.6185 -14.0987 -1002.3074 157.9336 0.0000 2713.6066 6440.1024 299.7254 3726.4957 6476.2959 298.6337 PRESSURE: 338100 0 0 0 0 0 0 0 0 0 GPRESSURE: 338100 0 0 0 0 0 0 0 0 0 PRESSAVG: 338100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338100 0 0 0 0 0 0 0 0 0 TIMING: 338100 CPU: 1347.34, 0.00397182/step Wall: 1347.34, 0.00397182/step, 0.178622 hours remaining, 109.652344 MB of memory in use. ENERGY: 338100 642.0880 1871.7080 2000.4305 100.2365 -14.2092 -1051.9929 154.0841 0.0000 2732.9806 6435.3257 301.8653 3702.3450 6470.7838 297.5555 PRESSURE: 338200 0 0 0 0 0 0 0 0 0 GPRESSURE: 338200 0 0 0 0 0 0 0 0 0 PRESSAVG: 338200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338200 0 0 0 0 0 0 0 0 0 TIMING: 338200 CPU: 1347.74, 0.00398595/step Wall: 1347.74, 0.00398595/step, 0.179146 hours remaining, 109.652344 MB of memory in use. ENERGY: 338200 664.3312 1882.9893 1994.1328 96.4342 -15.1508 -1031.2788 155.3132 0.0000 2701.9638 6448.7348 298.4394 3746.7710 6480.9149 297.9229 PRESSURE: 338300 0 0 0 0 0 0 0 0 0 GPRESSURE: 338300 0 0 0 0 0 0 0 0 0 PRESSAVG: 338300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338300 0 0 0 0 0 0 0 0 0 TIMING: 338300 CPU: 1348.14, 0.00397602/step Wall: 1348.14, 0.00397602/step, 0.178589 hours remaining, 109.652344 MB of memory in use. ENERGY: 338300 683.3556 1938.3787 2011.6706 105.0976 -13.5998 -1084.4129 158.8227 0.0000 2710.7649 6510.0773 299.4115 3799.3124 6539.7360 300.0866 PRESSURE: 338400 0 0 0 0 0 0 0 0 0 GPRESSURE: 338400 0 0 0 0 0 0 0 0 0 PRESSAVG: 338400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338400 0 0 0 0 0 0 0 0 0 TIMING: 338400 CPU: 1348.53, 0.00397393/step Wall: 1348.53, 0.00397393/step, 0.178385 hours remaining, 109.652344 MB of memory in use. ENERGY: 338400 665.8834 1903.4353 2011.7021 106.1784 -13.8923 -1060.2712 156.6121 0.0000 2741.8030 6511.4509 302.8398 3769.6479 6544.0231 302.5892 PRESSURE: 338500 0 0 0 0 0 0 0 0 0 GPRESSURE: 338500 0 0 0 0 0 0 0 0 0 PRESSAVG: 338500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338500 0 0 0 0 0 0 0 0 0 TIMING: 338500 CPU: 1348.93, 0.00398802/step Wall: 1348.93, 0.00398802/step, 0.178907 hours remaining, 109.652344 MB of memory in use. ENERGY: 338500 665.3040 1847.7575 1997.7902 101.2560 -14.3801 -1037.0106 164.6687 0.0000 2757.1537 6482.5394 304.5353 3725.3857 6519.7144 300.6253 PRESSURE: 338600 0 0 0 0 0 0 0 0 0 GPRESSURE: 338600 0 0 0 0 0 0 0 0 0 PRESSAVG: 338600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338600 0 0 0 0 0 0 0 0 0 TIMING: 338600 CPU: 1349.33, 0.00397382/step Wall: 1349.33, 0.00397382/step, 0.17816 hours remaining, 109.652344 MB of memory in use. ENERGY: 338600 653.8849 1871.5625 2004.1247 101.2770 -15.2068 -1034.3497 152.0345 0.0000 2739.3407 6472.6679 302.5678 3733.3272 6509.5168 301.6117 PRESSURE: 338700 0 0 0 0 0 0 0 0 0 GPRESSURE: 338700 0 0 0 0 0 0 0 0 0 PRESSAVG: 338700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338700 0 0 0 0 0 0 0 0 0 TIMING: 338700 CPU: 1349.73, 0.0039896/step Wall: 1349.73, 0.0039896/step, 0.178756 hours remaining, 109.652344 MB of memory in use. ENERGY: 338700 660.1566 1852.1579 2006.2486 115.2410 -14.5346 -1056.4203 160.6369 0.0000 2758.7719 6482.2579 304.7140 3723.4860 6516.4497 299.1398 PRESSURE: 338800 0 0 0 0 0 0 0 0 0 GPRESSURE: 338800 0 0 0 0 0 0 0 0 0 PRESSAVG: 338800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338800 0 0 0 0 0 0 0 0 0 TIMING: 338800 CPU: 1350.13, 0.00397387/step Wall: 1350.13, 0.00397387/step, 0.177941 hours remaining, 109.652344 MB of memory in use. ENERGY: 338800 637.5562 1906.2053 2001.8851 114.6325 -13.8827 -1038.6073 182.2506 0.0000 2714.4818 6504.5215 299.8221 3790.0397 6538.8926 299.8878 PRESSURE: 338900 0 0 0 0 0 0 0 0 0 GPRESSURE: 338900 0 0 0 0 0 0 0 0 0 PRESSAVG: 338900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 338900 0 0 0 0 0 0 0 0 0 TIMING: 338900 CPU: 1350.52, 0.00397762/step Wall: 1350.52, 0.00397762/step, 0.177998 hours remaining, 109.652344 MB of memory in use. ENERGY: 338900 670.8524 1860.0800 2023.8562 98.5560 -14.5903 -1039.6364 157.4274 0.0000 2749.5778 6506.1232 303.6985 3756.5454 6540.9288 301.4057 PRESSURE: 339000 0 0 0 0 0 0 0 0 0 GPRESSURE: 339000 0 0 0 0 0 0 0 0 0 PRESSAVG: 339000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339000 0 0 0 0 0 0 0 0 0 TIMING: 339000 CPU: 1350.93, 0.00402515/step Wall: 1350.93, 0.00402515/step, 0.180014 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 339000 670.9335 1858.5804 2032.5734 105.7845 -14.9192 -1059.9155 155.2387 0.0000 2762.4150 6510.6908 305.1164 3748.2758 6544.8626 300.8043 PRESSURE: 339100 0 0 0 0 0 0 0 0 0 GPRESSURE: 339100 0 0 0 0 0 0 0 0 0 PRESSAVG: 339100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339100 0 0 0 0 0 0 0 0 0 TIMING: 339100 CPU: 1351.32, 0.00397506/step Wall: 1351.32, 0.00397505/step, 0.177663 hours remaining, 109.652344 MB of memory in use. ENERGY: 339100 653.2705 1892.1096 2005.5493 108.3486 -13.8668 -1046.9294 174.2604 0.0000 2762.1974 6534.9396 305.0924 3772.7422 6568.1728 301.3867 PRESSURE: 339200 0 0 0 0 0 0 0 0 0 GPRESSURE: 339200 0 0 0 0 0 0 0 0 0 PRESSAVG: 339200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339200 0 0 0 0 0 0 0 0 0 TIMING: 339200 CPU: 1351.72, 0.00399243/step Wall: 1351.72, 0.00399244/step, 0.178329 hours remaining, 109.652344 MB of memory in use. ENERGY: 339200 674.1240 1874.3334 2025.4315 97.9928 -14.2915 -1066.5439 177.2891 0.0000 2835.1429 6603.4782 313.1494 3768.3353 6638.6963 304.9511 PRESSURE: 339300 0 0 0 0 0 0 0 0 0 GPRESSURE: 339300 0 0 0 0 0 0 0 0 0 PRESSAVG: 339300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339300 0 0 0 0 0 0 0 0 0 TIMING: 339300 CPU: 1352.12, 0.0039734/step Wall: 1352.12, 0.0039734/step, 0.177368 hours remaining, 109.652344 MB of memory in use. ENERGY: 339300 683.8618 1889.1992 2010.0665 114.7890 -14.7870 -1019.7232 160.9677 0.0000 2737.8063 6562.1804 302.3983 3824.3742 6598.7955 305.5722 PRESSURE: 339400 0 0 0 0 0 0 0 0 0 GPRESSURE: 339400 0 0 0 0 0 0 0 0 0 PRESSAVG: 339400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339400 0 0 0 0 0 0 0 0 0 TIMING: 339400 CPU: 1352.52, 0.00397231/step Wall: 1352.52, 0.00397231/step, 0.177209 hours remaining, 109.652344 MB of memory in use. ENERGY: 339400 702.2908 1896.8705 2007.4219 105.4340 -15.0996 -1060.1630 172.6777 0.0000 2727.6426 6537.0748 301.2757 3809.4322 6567.7896 303.1471 PRESSURE: 339500 0 0 0 0 0 0 0 0 0 GPRESSURE: 339500 0 0 0 0 0 0 0 0 0 PRESSAVG: 339500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339500 0 0 0 0 0 0 0 0 0 TIMING: 339500 CPU: 1352.92, 0.0039892/step Wall: 1352.92, 0.0039892/step, 0.177852 hours remaining, 109.652344 MB of memory in use. ENERGY: 339500 648.6956 1960.7371 2029.7906 110.2415 -15.2393 -1055.1037 163.4219 0.0000 2732.5494 6575.0930 301.8177 3842.5437 6606.2218 303.9483 PRESSURE: 339600 0 0 0 0 0 0 0 0 0 GPRESSURE: 339600 0 0 0 0 0 0 0 0 0 PRESSAVG: 339600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339600 0 0 0 0 0 0 0 0 0 TIMING: 339600 CPU: 1353.31, 0.00397643/step Wall: 1353.31, 0.00397643/step, 0.177172 hours remaining, 109.652344 MB of memory in use. ENERGY: 339600 641.2508 1897.2295 2036.6307 108.4020 -14.4312 -1037.3104 163.9271 0.0000 2746.3423 6542.0409 303.3412 3795.6986 6578.9838 304.6218 PRESSURE: 339700 0 0 0 0 0 0 0 0 0 GPRESSURE: 339700 0 0 0 0 0 0 0 0 0 PRESSAVG: 339700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339700 0 0 0 0 0 0 0 0 0 TIMING: 339700 CPU: 1353.71, 0.00398949/step Wall: 1353.71, 0.00398949/step, 0.177643 hours remaining, 109.652344 MB of memory in use. ENERGY: 339700 635.1922 1905.6811 2021.9189 102.3298 -14.2227 -1049.7985 179.8671 0.0000 2778.0703 6559.0383 306.8456 3780.9680 6593.4728 303.9466 PRESSURE: 339800 0 0 0 0 0 0 0 0 0 GPRESSURE: 339800 0 0 0 0 0 0 0 0 0 PRESSAVG: 339800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339800 0 0 0 0 0 0 0 0 0 TIMING: 339800 CPU: 1354.11, 0.00397706/step Wall: 1354.11, 0.00397706/step, 0.176979 hours remaining, 109.652344 MB of memory in use. ENERGY: 339800 659.1241 1926.0956 1997.5800 108.8477 -14.2362 -1045.8900 165.9142 0.0000 2759.1551 6556.5906 304.7564 3797.4355 6589.9179 304.7725 PRESSURE: 339900 0 0 0 0 0 0 0 0 0 GPRESSURE: 339900 0 0 0 0 0 0 0 0 0 PRESSAVG: 339900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 339900 0 0 0 0 0 0 0 0 0 TIMING: 339900 CPU: 1354.51, 0.00397361/step Wall: 1354.51, 0.00397361/step, 0.176715 hours remaining, 109.652344 MB of memory in use. ENERGY: 339900 630.1130 1883.7702 2033.7284 112.3562 -15.3096 -1040.4726 177.1390 0.0000 2758.2304 6539.5550 304.6542 3781.3246 6573.8240 302.6846 PRESSURE: 340000 0 0 0 0 0 0 0 0 0 GPRESSURE: 340000 0 0 0 0 0 0 0 0 0 PRESSAVG: 340000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340000 0 0 0 0 0 0 0 0 0 TIMING: 340000 CPU: 1354.91, 0.00399189/step Wall: 1354.91, 0.00399189/step, 0.177417 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 340000 668.3414 1899.2854 2008.2996 94.1218 -15.3233 -1027.6616 159.5142 0.0000 2712.7014 6499.2790 299.6254 3786.5776 6531.1262 302.1574 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 340000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 340000 WRITING COORDINATES TO RESTART FILE AT STEP 340000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 340000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 340100 0 0 0 0 0 0 0 0 0 GPRESSURE: 340100 0 0 0 0 0 0 0 0 0 PRESSAVG: 340100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340100 0 0 0 0 0 0 0 0 0 TIMING: 340100 CPU: 1355.36, 0.00453617/step Wall: 1355.36, 0.00453617/step, 0.201482 hours remaining, 109.652344 MB of memory in use. ENERGY: 340100 644.0629 1894.8760 2050.9000 98.8007 -14.3074 -1033.5876 174.1637 0.0000 2733.7094 6548.6178 301.9458 3814.9084 6582.4211 301.5911 PRESSURE: 340200 0 0 0 0 0 0 0 0 0 GPRESSURE: 340200 0 0 0 0 0 0 0 0 0 PRESSAVG: 340200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340200 0 0 0 0 0 0 0 0 0 TIMING: 340200 CPU: 1355.76, 0.00398566/step Wall: 1355.76, 0.00398566/step, 0.176919 hours remaining, 109.652344 MB of memory in use. ENERGY: 340200 645.8825 1856.1168 2037.9991 100.6268 -14.5763 -1024.4659 169.3694 0.0000 2794.5120 6565.4644 308.6616 3770.9525 6598.8020 303.3688 LDB: ============= START OF LOAD BALANCING ============== 1358.53 LDB: ============== END OF LOAD BALANCING =============== 1358.53 LDB: =============== DONE WITH MIGRATION ================ 1358.53 PRESSURE: 340300 0 0 0 0 0 0 0 0 0 GPRESSURE: 340300 0 0 0 0 0 0 0 0 0 PRESSAVG: 340300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340300 0 0 0 0 0 0 0 0 0 TIMING: 340300 CPU: 1356.16, 0.00397323/step Wall: 1356.16, 0.00397323/step, 0.176257 hours remaining, 109.652344 MB of memory in use. ENERGY: 340300 684.5284 1868.0733 2039.7027 114.7448 -15.7129 -1053.3443 158.3097 0.0000 2751.5944 6547.8960 303.9213 3796.3016 6582.5905 304.1471 LDB: ============= START OF LOAD BALANCING ============== 1358.93 LDB: ============== END OF LOAD BALANCING =============== 1358.93 LDB: =============== DONE WITH MIGRATION ================ 1358.93 PRESSURE: 340400 0 0 0 0 0 0 0 0 0 GPRESSURE: 340400 0 0 0 0 0 0 0 0 0 PRESSAVG: 340400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340400 0 0 0 0 0 0 0 0 0 TIMING: 340400 CPU: 1356.56, 0.00398059/step Wall: 1356.56, 0.00398059/step, 0.176473 hours remaining, 109.652344 MB of memory in use. ENERGY: 340400 692.4445 1851.1892 2055.7397 102.8384 -15.3274 -1038.4580 176.1204 0.0000 2730.3086 6554.8555 301.5702 3824.5469 6586.4869 302.7167 PRESSURE: 340500 0 0 0 0 0 0 0 0 0 GPRESSURE: 340500 0 0 0 0 0 0 0 0 0 PRESSAVG: 340500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340500 0 0 0 0 0 0 0 0 0 TIMING: 340500 CPU: 1356.95, 0.0039869/step Wall: 1356.95, 0.0039869/step, 0.176642 hours remaining, 109.652344 MB of memory in use. ENERGY: 340500 619.8969 1954.8610 1992.3256 109.3574 -14.4800 -1038.9024 166.3446 0.0000 2777.5430 6566.9460 306.7874 3789.4031 6600.6340 303.1357 PRESSURE: 340600 0 0 0 0 0 0 0 0 0 GPRESSURE: 340600 0 0 0 0 0 0 0 0 0 PRESSAVG: 340600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340600 0 0 0 0 0 0 0 0 0 TIMING: 340600 CPU: 1357.35, 0.00397483/step Wall: 1357.35, 0.00397483/step, 0.175997 hours remaining, 109.652344 MB of memory in use. ENERGY: 340600 669.0533 1937.6690 2028.3817 109.4831 -14.5026 -1080.4677 150.1394 0.0000 2747.8368 6547.5930 303.5062 3799.7562 6583.2237 304.6537 PRESSURE: 340700 0 0 0 0 0 0 0 0 0 GPRESSURE: 340700 0 0 0 0 0 0 0 0 0 PRESSAVG: 340700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340700 0 0 0 0 0 0 0 0 0 TIMING: 340700 CPU: 1357.75, 0.00398843/step Wall: 1357.75, 0.00398843/step, 0.176488 hours remaining, 109.652344 MB of memory in use. ENERGY: 340700 698.0069 1872.0890 2041.9443 103.4153 -15.3628 -1049.2262 151.6815 0.0000 2744.5582 6547.1062 303.1441 3802.5480 6582.4992 304.2106 PRESSURE: 340800 0 0 0 0 0 0 0 0 0 GPRESSURE: 340800 0 0 0 0 0 0 0 0 0 PRESSAVG: 340800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340800 0 0 0 0 0 0 0 0 0 TIMING: 340800 CPU: 1358.15, 0.00397358/step Wall: 1358.15, 0.00397358/step, 0.175721 hours remaining, 109.652344 MB of memory in use. ENERGY: 340800 653.9140 1904.6955 2022.3947 108.6847 -15.7368 -1065.7043 165.7546 0.0000 2739.3740 6513.3764 302.5715 3774.0024 6546.4810 301.8826 PRESSURE: 340900 0 0 0 0 0 0 0 0 0 GPRESSURE: 340900 0 0 0 0 0 0 0 0 0 PRESSAVG: 340900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 340900 0 0 0 0 0 0 0 0 0 TIMING: 340900 CPU: 1358.55, 0.0039747/step Wall: 1358.55, 0.00397469/step, 0.175659 hours remaining, 109.652344 MB of memory in use. ENERGY: 340900 667.6487 1883.4424 2028.7802 110.2278 -14.6427 -1050.2141 159.8875 0.0000 2766.0295 6551.1594 305.5157 3785.1299 6586.5502 302.3639 PRESSURE: 341000 0 0 0 0 0 0 0 0 0 GPRESSURE: 341000 0 0 0 0 0 0 0 0 0 PRESSAVG: 341000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341000 0 0 0 0 0 0 0 0 0 TIMING: 341000 CPU: 1358.94, 0.00398716/step Wall: 1358.94, 0.00398717/step, 0.1761 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 341000 661.4774 1904.8322 2014.4917 118.2881 -14.3593 -1032.1060 162.8829 0.0000 2711.7765 6527.2836 299.5233 3815.5071 6560.7678 303.8468 PRESSURE: 341100 0 0 0 0 0 0 0 0 0 GPRESSURE: 341100 0 0 0 0 0 0 0 0 0 PRESSAVG: 341100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341100 0 0 0 0 0 0 0 0 0 TIMING: 341100 CPU: 1359.34, 0.00397417/step Wall: 1359.34, 0.00397417/step, 0.175415 hours remaining, 109.652344 MB of memory in use. ENERGY: 341100 651.7532 1823.4526 2015.9283 99.1144 -14.7604 -1037.9245 164.1680 0.0000 2773.6203 6475.3518 306.3541 3701.7315 6507.7780 300.7061 PRESSURE: 341200 0 0 0 0 0 0 0 0 0 GPRESSURE: 341200 0 0 0 0 0 0 0 0 0 PRESSAVG: 341200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341200 0 0 0 0 0 0 0 0 0 TIMING: 341200 CPU: 1359.74, 0.00398798/step Wall: 1359.74, 0.00398798/step, 0.175914 hours remaining, 109.652344 MB of memory in use. ENERGY: 341200 657.7555 1855.7866 2032.3280 89.4733 -15.8057 -1011.2154 143.0141 0.0000 2717.7874 6469.1237 300.1872 3751.3363 6505.5922 299.1741 PRESSURE: 341300 0 0 0 0 0 0 0 0 0 GPRESSURE: 341300 0 0 0 0 0 0 0 0 0 PRESSAVG: 341300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341300 0 0 0 0 0 0 0 0 0 TIMING: 341300 CPU: 1360.14, 0.00397253/step Wall: 1360.14, 0.00397253/step, 0.175122 hours remaining, 109.652344 MB of memory in use. ENERGY: 341300 677.8672 1878.9907 2027.4657 120.3527 -14.8319 -1069.2340 171.2702 0.0000 2663.3820 6455.2626 294.1780 3791.8806 6487.4104 299.4254 PRESSURE: 341400 0 0 0 0 0 0 0 0 0 GPRESSURE: 341400 0 0 0 0 0 0 0 0 0 PRESSAVG: 341400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341400 0 0 0 0 0 0 0 0 0 TIMING: 341400 CPU: 1360.53, 0.00397672/step Wall: 1360.53, 0.00397672/step, 0.175197 hours remaining, 109.652344 MB of memory in use. ENERGY: 341400 644.3330 1895.5763 2040.9719 105.3512 -15.2523 -1038.7515 161.7796 0.0000 2654.6202 6448.6284 293.2102 3794.0082 6483.0415 298.2312 PRESSURE: 341500 0 0 0 0 0 0 0 0 0 GPRESSURE: 341500 0 0 0 0 0 0 0 0 0 PRESSAVG: 341500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341500 0 0 0 0 0 0 0 0 0 TIMING: 341500 CPU: 1360.93, 0.00398272/step Wall: 1360.93, 0.00398272/step, 0.17535 hours remaining, 109.652344 MB of memory in use. ENERGY: 341500 661.5446 1855.8641 2028.6055 113.1858 -14.7200 -1050.6941 180.1742 0.0000 2652.3276 6426.2878 292.9570 3773.9602 6458.4690 296.7687 PRESSURE: 341600 0 0 0 0 0 0 0 0 0 GPRESSURE: 341600 0 0 0 0 0 0 0 0 0 PRESSAVG: 341600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341600 0 0 0 0 0 0 0 0 0 TIMING: 341600 CPU: 1361.33, 0.00397358/step Wall: 1361.33, 0.00397358/step, 0.174837 hours remaining, 109.652344 MB of memory in use. ENERGY: 341600 632.9521 1888.3130 2023.8438 97.9607 -14.9472 -1024.4262 160.2877 0.0000 2667.9442 6431.9281 294.6819 3763.9839 6461.9203 297.4394 PRESSURE: 341700 0 0 0 0 0 0 0 0 0 GPRESSURE: 341700 0 0 0 0 0 0 0 0 0 PRESSAVG: 341700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341700 0 0 0 0 0 0 0 0 0 TIMING: 341700 CPU: 1361.73, 0.00398694/step Wall: 1361.73, 0.00398694/step, 0.175315 hours remaining, 109.652344 MB of memory in use. ENERGY: 341700 629.4078 1818.6015 2040.9087 101.4207 -14.2527 -1011.0825 156.3218 0.0000 2716.6515 6437.9769 300.0617 3721.3254 6472.4509 298.5252 PRESSURE: 341800 0 0 0 0 0 0 0 0 0 GPRESSURE: 341800 0 0 0 0 0 0 0 0 0 PRESSAVG: 341800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341800 0 0 0 0 0 0 0 0 0 TIMING: 341800 CPU: 1362.13, 0.00397215/step Wall: 1362.13, 0.00397215/step, 0.174554 hours remaining, 109.652344 MB of memory in use. ENERGY: 341800 705.9318 1888.5784 2013.1557 111.7861 -15.0047 -1086.0255 180.5469 0.0000 2694.5482 6493.5168 297.6203 3798.9686 6524.7117 299.7493 PRESSURE: 341900 0 0 0 0 0 0 0 0 0 GPRESSURE: 341900 0 0 0 0 0 0 0 0 0 PRESSAVG: 341900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 341900 0 0 0 0 0 0 0 0 0 TIMING: 341900 CPU: 1362.52, 0.00397357/step Wall: 1362.52, 0.00397357/step, 0.174506 hours remaining, 109.652344 MB of memory in use. ENERGY: 341900 641.2534 1872.6736 2027.1233 98.0739 -13.9087 -1041.0674 171.4587 0.0000 2711.6000 6467.2067 299.5038 3755.6067 6500.2166 298.5833 PRESSURE: 342000 0 0 0 0 0 0 0 0 0 GPRESSURE: 342000 0 0 0 0 0 0 0 0 0 PRESSAVG: 342000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342000 0 0 0 0 0 0 0 0 0 TIMING: 342000 CPU: 1362.92, 0.00398828/step Wall: 1362.92, 0.00398828/step, 0.175041 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 342000 650.4015 1847.5991 2019.9947 102.5738 -13.9566 -1023.3743 167.5447 0.0000 2721.1264 6471.9093 300.5560 3750.7829 6505.7989 300.1738 PRESSURE: 342100 0 0 0 0 0 0 0 0 0 GPRESSURE: 342100 0 0 0 0 0 0 0 0 0 PRESSAVG: 342100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342100 0 0 0 0 0 0 0 0 0 TIMING: 342100 CPU: 1363.32, 0.00397526/step Wall: 1363.32, 0.00397526/step, 0.174359 hours remaining, 109.652344 MB of memory in use. ENERGY: 342100 673.6429 1876.3695 2023.8563 99.9107 -13.6517 -1100.3242 171.9806 0.0000 2714.0357 6445.8198 299.7728 3731.7841 6477.4315 297.9836 PRESSURE: 342200 0 0 0 0 0 0 0 0 0 GPRESSURE: 342200 0 0 0 0 0 0 0 0 0 PRESSAVG: 342200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342200 0 0 0 0 0 0 0 0 0 TIMING: 342200 CPU: 1363.72, 0.00398672/step Wall: 1363.72, 0.00398672/step, 0.174751 hours remaining, 109.652344 MB of memory in use. ENERGY: 342200 661.8923 1825.9981 2018.6086 112.9283 -13.9471 -1064.2477 175.6187 0.0000 2734.2551 6451.1064 302.0061 3716.8512 6484.6978 297.4965 PRESSURE: 342300 0 0 0 0 0 0 0 0 0 GPRESSURE: 342300 0 0 0 0 0 0 0 0 0 PRESSAVG: 342300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342300 0 0 0 0 0 0 0 0 0 TIMING: 342300 CPU: 1364.12, 0.00397195/step Wall: 1364.12, 0.00397195/step, 0.173993 hours remaining, 109.652344 MB of memory in use. ENERGY: 342300 636.2068 1907.8142 2016.6770 102.8270 -14.8785 -1070.6981 160.6041 0.0000 2725.0783 6463.6309 300.9925 3738.5525 6493.5465 298.6656 PRESSURE: 342400 0 0 0 0 0 0 0 0 0 GPRESSURE: 342400 0 0 0 0 0 0 0 0 0 PRESSAVG: 342400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342400 0 0 0 0 0 0 0 0 0 TIMING: 342400 CPU: 1364.51, 0.00397439/step Wall: 1364.51, 0.00397439/step, 0.17399 hours remaining, 109.652344 MB of memory in use. ENERGY: 342400 647.1988 1916.9098 2047.8042 107.0129 -13.6546 -1074.1480 171.8407 0.0000 2703.5098 6506.4736 298.6102 3802.9638 6538.1387 301.3057 PRESSURE: 342500 0 0 0 0 0 0 0 0 0 GPRESSURE: 342500 0 0 0 0 0 0 0 0 0 PRESSAVG: 342500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342500 0 0 0 0 0 0 0 0 0 TIMING: 342500 CPU: 1364.91, 0.00398525/step Wall: 1364.91, 0.00398525/step, 0.174355 hours remaining, 109.652344 MB of memory in use. ENERGY: 342500 675.7880 1872.3589 2016.3525 103.6038 -14.4644 -1060.1313 164.1888 0.0000 2782.8167 6540.5131 307.3699 3757.6964 6573.6766 302.4264 PRESSURE: 342600 0 0 0 0 0 0 0 0 0 GPRESSURE: 342600 0 0 0 0 0 0 0 0 0 PRESSAVG: 342600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342600 0 0 0 0 0 0 0 0 0 TIMING: 342600 CPU: 1365.31, 0.00397376/step Wall: 1365.31, 0.00397376/step, 0.173742 hours remaining, 109.652344 MB of memory in use. ENERGY: 342600 663.3155 1878.4216 2041.2332 102.9135 -13.9787 -1066.9561 157.6902 0.0000 2764.6500 6527.2893 305.3633 3762.6393 6561.1957 302.5907 PRESSURE: 342700 0 0 0 0 0 0 0 0 0 GPRESSURE: 342700 0 0 0 0 0 0 0 0 0 PRESSAVG: 342700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342700 0 0 0 0 0 0 0 0 0 TIMING: 342700 CPU: 1365.71, 0.00398838/step Wall: 1365.71, 0.00398838/step, 0.17427 hours remaining, 109.652344 MB of memory in use. ENERGY: 342700 635.8429 1922.0037 2024.9292 111.3340 -13.6733 -1067.7771 172.8501 0.0000 2731.4379 6516.9474 301.6949 3785.5095 6550.4875 300.9886 PRESSURE: 342800 0 0 0 0 0 0 0 0 0 GPRESSURE: 342800 0 0 0 0 0 0 0 0 0 PRESSAVG: 342800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342800 0 0 0 0 0 0 0 0 0 TIMING: 342800 CPU: 1366.11, 0.00397038/step Wall: 1366.11, 0.00397038/step, 0.173373 hours remaining, 109.652344 MB of memory in use. ENERGY: 342800 653.8120 1897.8144 2021.7944 117.7630 -14.0805 -1036.6564 157.8682 0.0000 2711.8500 6510.1650 299.5314 3798.3150 6547.1516 302.4241 PRESSURE: 342900 0 0 0 0 0 0 0 0 0 GPRESSURE: 342900 0 0 0 0 0 0 0 0 0 PRESSAVG: 342900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 342900 0 0 0 0 0 0 0 0 0 TIMING: 342900 CPU: 1366.5, 0.00397263/step Wall: 1366.5, 0.00397263/step, 0.173361 hours remaining, 109.652344 MB of memory in use. ENERGY: 342900 637.7923 1895.1280 2044.8295 107.2404 -14.8639 -1030.9937 158.0165 0.0000 2704.8796 6502.0286 298.7615 3797.1491 6536.3867 301.4758 PRESSURE: 343000 0 0 0 0 0 0 0 0 0 GPRESSURE: 343000 0 0 0 0 0 0 0 0 0 PRESSAVG: 343000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343000 0 0 0 0 0 0 0 0 0 TIMING: 343000 CPU: 1366.9, 0.0039866/step Wall: 1366.9, 0.0039866/step, 0.17386 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 343000 639.3432 1909.0338 2016.6998 105.3028 -14.6967 -1063.9832 174.0159 0.0000 2722.1712 6487.8867 300.6714 3765.7155 6521.5848 300.1687 PRESSURE: 343100 0 0 0 0 0 0 0 0 0 GPRESSURE: 343100 0 0 0 0 0 0 0 0 0 PRESSAVG: 343100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343100 0 0 0 0 0 0 0 0 0 TIMING: 343100 CPU: 1367.3, 0.00397407/step Wall: 1367.3, 0.00397407/step, 0.173203 hours remaining, 109.652344 MB of memory in use. ENERGY: 343100 595.2178 1884.5723 2035.2848 110.0754 -14.5140 -1037.7020 161.5421 0.0000 2757.6225 6492.0991 304.5871 3734.4765 6526.5960 300.4730 PRESSURE: 343200 0 0 0 0 0 0 0 0 0 GPRESSURE: 343200 0 0 0 0 0 0 0 0 0 PRESSAVG: 343200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343200 0 0 0 0 0 0 0 0 0 TIMING: 343200 CPU: 1367.7, 0.00398533/step Wall: 1367.7, 0.00398533/step, 0.173583 hours remaining, 109.652344 MB of memory in use. ENERGY: 343200 673.2554 1887.0524 2033.9519 110.3673 -14.9189 -1059.3669 174.6534 0.0000 2686.3361 6491.3307 296.7133 3804.9946 6522.5620 300.3500 PRESSURE: 343300 0 0 0 0 0 0 0 0 0 GPRESSURE: 343300 0 0 0 0 0 0 0 0 0 PRESSAVG: 343300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343300 0 0 0 0 0 0 0 0 0 TIMING: 343300 CPU: 1368.09, 0.00397373/step Wall: 1368.09, 0.00397373/step, 0.172968 hours remaining, 109.652344 MB of memory in use. ENERGY: 343300 663.4673 1901.3475 2012.3951 102.9565 -16.4765 -1031.6200 162.3613 0.0000 2680.3198 6474.7510 296.0488 3794.4312 6505.6107 300.4161 PRESSURE: 343400 0 0 0 0 0 0 0 0 0 GPRESSURE: 343400 0 0 0 0 0 0 0 0 0 PRESSAVG: 343400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343400 0 0 0 0 0 0 0 0 0 TIMING: 343400 CPU: 1368.49, 0.00397258/step Wall: 1368.49, 0.00397258/step, 0.172807 hours remaining, 109.652344 MB of memory in use. ENERGY: 343400 646.0337 1898.9490 2019.6119 103.6949 -15.3070 -1066.7055 164.4391 0.0000 2728.6233 6479.3394 301.3840 3750.7161 6511.9260 299.3907 PRESSURE: 343500 0 0 0 0 0 0 0 0 0 GPRESSURE: 343500 0 0 0 0 0 0 0 0 0 PRESSAVG: 343500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343500 0 0 0 0 0 0 0 0 0 TIMING: 343500 CPU: 1368.89, 0.0039871/step Wall: 1368.89, 0.0039871/step, 0.173328 hours remaining, 109.652344 MB of memory in use. ENERGY: 343500 682.9733 1865.2674 2045.2593 101.9707 -14.8100 -1057.5366 159.0440 0.0000 2715.4676 6497.6356 299.9310 3782.1681 6530.9851 300.7425 PRESSURE: 343600 0 0 0 0 0 0 0 0 0 GPRESSURE: 343600 0 0 0 0 0 0 0 0 0 PRESSAVG: 343600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343600 0 0 0 0 0 0 0 0 0 TIMING: 343600 CPU: 1369.29, 0.00397314/step Wall: 1369.29, 0.00397314/step, 0.172611 hours remaining, 109.652344 MB of memory in use. ENERGY: 343600 623.2873 1849.8524 2050.5836 110.9057 -14.4941 -1019.4089 154.4017 0.0000 2715.7336 6470.8613 299.9603 3755.1277 6503.4323 300.8392 PRESSURE: 343700 0 0 0 0 0 0 0 0 0 GPRESSURE: 343700 0 0 0 0 0 0 0 0 0 PRESSAVG: 343700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343700 0 0 0 0 0 0 0 0 0 TIMING: 343700 CPU: 1369.69, 0.00398597/step Wall: 1369.69, 0.00398597/step, 0.173058 hours remaining, 109.652344 MB of memory in use. ENERGY: 343700 678.7124 1858.0449 2034.6623 101.4449 -15.1482 -1068.0760 173.0575 0.0000 2705.3722 6468.0701 298.8159 3762.6978 6500.2225 300.2676 PRESSURE: 343800 0 0 0 0 0 0 0 0 0 GPRESSURE: 343800 0 0 0 0 0 0 0 0 0 PRESSAVG: 343800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343800 0 0 0 0 0 0 0 0 0 TIMING: 343800 CPU: 1370.08, 0.00397076/step Wall: 1370.08, 0.00397076/step, 0.172287 hours remaining, 109.652344 MB of memory in use. ENERGY: 343800 647.1665 1911.2413 2019.0804 100.5742 -14.2463 -1053.6148 168.8083 0.0000 2703.2090 6482.2186 298.5770 3779.0096 6515.5046 298.4145 PRESSURE: 343900 0 0 0 0 0 0 0 0 0 GPRESSURE: 343900 0 0 0 0 0 0 0 0 0 PRESSAVG: 343900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 343900 0 0 0 0 0 0 0 0 0 TIMING: 343900 CPU: 1370.48, 0.00397291/step Wall: 1370.48, 0.00397291/step, 0.17227 hours remaining, 109.652344 MB of memory in use. ENERGY: 343900 670.0051 1885.8349 2031.4697 97.3180 -15.1127 -1046.0211 168.3507 0.0000 2735.6250 6527.4695 302.1574 3791.8445 6557.5493 301.6965 PRESSURE: 344000 0 0 0 0 0 0 0 0 0 GPRESSURE: 344000 0 0 0 0 0 0 0 0 0 PRESSAVG: 344000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344000 0 0 0 0 0 0 0 0 0 TIMING: 344000 CPU: 1370.88, 0.00398789/step Wall: 1370.88, 0.00398789/step, 0.172809 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 344000 645.1793 1955.8406 2017.0474 111.5545 -14.8969 -1045.1959 155.0472 0.0000 2716.1591 6540.7353 300.0073 3824.5762 6578.2599 303.2936 PRESSURE: 344100 0 0 0 0 0 0 0 0 0 GPRESSURE: 344100 0 0 0 0 0 0 0 0 0 PRESSAVG: 344100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344100 0 0 0 0 0 0 0 0 0 TIMING: 344100 CPU: 1371.28, 0.0039725/step Wall: 1371.28, 0.0039725/step, 0.172031 hours remaining, 109.652344 MB of memory in use. ENERGY: 344100 670.8043 1911.1048 2059.8841 103.9012 -13.6237 -1066.1929 166.7514 0.0000 2686.3470 6518.9762 296.7145 3832.6293 6552.3774 302.2734 PRESSURE: 344200 0 0 0 0 0 0 0 0 0 GPRESSURE: 344200 0 0 0 0 0 0 0 0 0 PRESSAVG: 344200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344200 0 0 0 0 0 0 0 0 0 TIMING: 344200 CPU: 1371.68, 0.00398521/step Wall: 1371.68, 0.00398521/step, 0.172471 hours remaining, 109.652344 MB of memory in use. ENERGY: 344200 685.5635 1849.1325 2018.1794 116.6311 -15.8258 -1041.8362 162.1983 0.0000 2728.8199 6502.8626 301.4058 3774.0427 6535.7345 300.6220 LDB: ============= START OF LOAD BALANCING ============== 1374.45 LDB: ============== END OF LOAD BALANCING =============== 1374.45 LDB: =============== DONE WITH MIGRATION ================ 1374.45 PRESSURE: 344300 0 0 0 0 0 0 0 0 0 GPRESSURE: 344300 0 0 0 0 0 0 0 0 0 PRESSAVG: 344300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344300 0 0 0 0 0 0 0 0 0 TIMING: 344300 CPU: 1372.07, 0.00397359/step Wall: 1372.07, 0.00397359/step, 0.171858 hours remaining, 109.652344 MB of memory in use. ENERGY: 344300 648.4335 1949.5870 1997.5236 100.0630 -14.4250 -1072.8476 175.0359 0.0000 2727.0696 6510.4401 301.2124 3783.3705 6542.3541 300.8079 LDB: ============= START OF LOAD BALANCING ============== 1374.85 LDB: ============== END OF LOAD BALANCING =============== 1374.85 LDB: =============== DONE WITH MIGRATION ================ 1374.85 PRESSURE: 344400 0 0 0 0 0 0 0 0 0 GPRESSURE: 344400 0 0 0 0 0 0 0 0 0 PRESSAVG: 344400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344400 0 0 0 0 0 0 0 0 0 TIMING: 344400 CPU: 1372.47, 0.00398088/step Wall: 1372.47, 0.00398088/step, 0.172062 hours remaining, 109.652344 MB of memory in use. ENERGY: 344400 641.1730 1877.5787 2027.2722 91.0535 -14.9223 -1023.3932 156.3134 0.0000 2761.1134 6516.1887 304.9727 3755.0753 6551.0640 302.1746 PRESSURE: 344500 0 0 0 0 0 0 0 0 0 GPRESSURE: 344500 0 0 0 0 0 0 0 0 0 PRESSAVG: 344500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344500 0 0 0 0 0 0 0 0 0 TIMING: 344500 CPU: 1372.87, 0.00398753/step Wall: 1372.87, 0.00398753/step, 0.172239 hours remaining, 109.652344 MB of memory in use. ENERGY: 344500 673.8227 1851.3114 2024.1331 98.3083 -13.9022 -1052.8784 158.4606 0.0000 2730.6097 6469.8653 301.6034 3739.2556 6501.9563 299.8414 PRESSURE: 344600 0 0 0 0 0 0 0 0 0 GPRESSURE: 344600 0 0 0 0 0 0 0 0 0 PRESSAVG: 344600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344600 0 0 0 0 0 0 0 0 0 TIMING: 344600 CPU: 1373.27, 0.00397435/step Wall: 1373.27, 0.00397435/step, 0.17156 hours remaining, 109.652344 MB of memory in use. ENERGY: 344600 692.8409 1843.6936 2009.2133 102.5734 -14.6017 -1067.3937 167.9717 0.0000 2781.3504 6515.6480 307.2079 3734.2976 6548.6245 300.7598 PRESSURE: 344700 0 0 0 0 0 0 0 0 0 GPRESSURE: 344700 0 0 0 0 0 0 0 0 0 PRESSAVG: 344700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344700 0 0 0 0 0 0 0 0 0 TIMING: 344700 CPU: 1373.67, 0.00398774/step Wall: 1373.67, 0.00398774/step, 0.172027 hours remaining, 109.652344 MB of memory in use. ENERGY: 344700 678.8971 1825.6297 2034.4879 118.4152 -14.8585 -1045.5205 160.7126 0.0000 2756.4742 6514.2377 304.4603 3757.7636 6549.0784 301.1911 PRESSURE: 344800 0 0 0 0 0 0 0 0 0 GPRESSURE: 344800 0 0 0 0 0 0 0 0 0 PRESSAVG: 344800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344800 0 0 0 0 0 0 0 0 0 TIMING: 344800 CPU: 1374.06, 0.00397136/step Wall: 1374.06, 0.00397136/step, 0.17121 hours remaining, 109.652344 MB of memory in use. ENERGY: 344800 664.4038 1883.2436 2021.6001 97.1586 -14.2784 -1039.7007 159.7671 0.0000 2754.8054 6526.9995 304.2759 3772.1941 6563.2202 301.8442 PRESSURE: 344900 0 0 0 0 0 0 0 0 0 GPRESSURE: 344900 0 0 0 0 0 0 0 0 0 PRESSAVG: 344900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 344900 0 0 0 0 0 0 0 0 0 TIMING: 344900 CPU: 1374.46, 0.00397331/step Wall: 1374.46, 0.00397331/step, 0.171183 hours remaining, 109.652344 MB of memory in use. ENERGY: 344900 689.3350 1914.3405 2024.4073 97.4587 -15.5149 -1094.6551 153.4836 0.0000 2721.6655 6490.5206 300.6155 3768.8552 6523.8538 301.6494 PRESSURE: 345000 0 0 0 0 0 0 0 0 0 GPRESSURE: 345000 0 0 0 0 0 0 0 0 0 PRESSAVG: 345000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345000 0 0 0 0 0 0 0 0 0 TIMING: 345000 CPU: 1374.86, 0.00398934/step Wall: 1374.86, 0.00398934/step, 0.171763 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 345000 666.7760 1858.6168 2063.3938 103.8052 -14.6429 -1027.8009 151.8349 0.0000 2670.5882 6472.5711 294.9739 3801.9829 6504.8736 298.9930 PRESSURE: 345100 0 0 0 0 0 0 0 0 0 GPRESSURE: 345100 0 0 0 0 0 0 0 0 0 PRESSAVG: 345100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345100 0 0 0 0 0 0 0 0 0 TIMING: 345100 CPU: 1375.26, 0.00397054/step Wall: 1375.26, 0.00397054/step, 0.170843 hours remaining, 109.652344 MB of memory in use. ENERGY: 345100 661.2659 1966.4460 2003.5525 105.5381 -15.6100 -1088.7045 180.8474 0.0000 2683.2846 6496.6200 296.3763 3813.3354 6527.1065 299.1722 PRESSURE: 345200 0 0 0 0 0 0 0 0 0 GPRESSURE: 345200 0 0 0 0 0 0 0 0 0 PRESSAVG: 345200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345200 0 0 0 0 0 0 0 0 0 TIMING: 345200 CPU: 1375.65, 0.0039856/step Wall: 1375.65, 0.0039856/step, 0.171381 hours remaining, 109.652344 MB of memory in use. ENERGY: 345200 674.6986 1850.7495 2014.6896 117.2144 -15.0445 -1052.8639 168.3169 0.0000 2747.9490 6505.7096 303.5186 3757.7607 6539.6421 300.7057 PRESSURE: 345300 0 0 0 0 0 0 0 0 0 GPRESSURE: 345300 0 0 0 0 0 0 0 0 0 PRESSAVG: 345300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345300 0 0 0 0 0 0 0 0 0 TIMING: 345300 CPU: 1376.05, 0.00397252/step Wall: 1376.05, 0.00397252/step, 0.170708 hours remaining, 109.652344 MB of memory in use. ENERGY: 345300 654.9750 1901.9104 1999.8361 104.5141 -15.3187 -1053.9694 148.2703 0.0000 2716.8836 6457.1015 300.0874 3740.2179 6489.8371 299.3986 PRESSURE: 345400 0 0 0 0 0 0 0 0 0 GPRESSURE: 345400 0 0 0 0 0 0 0 0 0 PRESSAVG: 345400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345400 0 0 0 0 0 0 0 0 0 TIMING: 345400 CPU: 1376.45, 0.00397115/step Wall: 1376.45, 0.00397115/step, 0.170539 hours remaining, 109.652344 MB of memory in use. ENERGY: 345400 659.2849 1841.6442 2041.9327 104.7876 -14.6964 -1041.5135 166.6161 0.0000 2685.6459 6443.7015 296.6371 3758.0557 6479.3728 297.2386 PRESSURE: 345500 0 0 0 0 0 0 0 0 0 GPRESSURE: 345500 0 0 0 0 0 0 0 0 0 PRESSAVG: 345500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345500 0 0 0 0 0 0 0 0 0 TIMING: 345500 CPU: 1376.85, 0.00398678/step Wall: 1376.85, 0.00398678/step, 0.171099 hours remaining, 109.652344 MB of memory in use. ENERGY: 345500 616.4924 1917.8632 2004.7139 94.0828 -14.5762 -1021.4218 157.0398 0.0000 2713.2940 6467.4880 299.6909 3754.1940 6501.5405 297.8331 PRESSURE: 345600 0 0 0 0 0 0 0 0 0 GPRESSURE: 345600 0 0 0 0 0 0 0 0 0 PRESSAVG: 345600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345600 0 0 0 0 0 0 0 0 0 TIMING: 345600 CPU: 1377.24, 0.00397163/step Wall: 1377.24, 0.00397163/step, 0.170339 hours remaining, 109.652344 MB of memory in use. ENERGY: 345600 650.8140 1884.0006 2014.7790 110.8909 -14.9213 -1029.0881 160.1069 0.0000 2717.1309 6493.7129 300.1147 3776.5819 6527.2347 300.8094 PRESSURE: 345700 0 0 0 0 0 0 0 0 0 GPRESSURE: 345700 0 0 0 0 0 0 0 0 0 PRESSAVG: 345700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345700 0 0 0 0 0 0 0 0 0 TIMING: 345700 CPU: 1377.64, 0.00398826/step Wall: 1377.64, 0.00398826/step, 0.170941 hours remaining, 109.652344 MB of memory in use. ENERGY: 345700 670.8328 1901.5425 2030.5028 103.6421 -14.4111 -1052.0986 157.5350 0.0000 2665.7014 6463.2470 294.4341 3797.5455 6492.3642 299.3356 PRESSURE: 345800 0 0 0 0 0 0 0 0 0 GPRESSURE: 345800 0 0 0 0 0 0 0 0 0 PRESSAVG: 345800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345800 0 0 0 0 0 0 0 0 0 TIMING: 345800 CPU: 1378.04, 0.00396943/step Wall: 1378.04, 0.00396943/step, 0.170024 hours remaining, 109.652344 MB of memory in use. ENERGY: 345800 647.5592 1873.2839 2026.0027 100.9798 -15.2355 -1040.7140 150.3033 0.0000 2741.7116 6483.8911 302.8297 3742.1795 6519.7405 299.3095 PRESSURE: 345900 0 0 0 0 0 0 0 0 0 GPRESSURE: 345900 0 0 0 0 0 0 0 0 0 PRESSAVG: 345900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 345900 0 0 0 0 0 0 0 0 0 TIMING: 345900 CPU: 1378.44, 0.0039708/step Wall: 1378.44, 0.0039708/step, 0.169972 hours remaining, 109.652344 MB of memory in use. ENERGY: 345900 659.3017 1843.7992 2028.6449 112.3198 -14.4768 -1053.5685 152.1783 0.0000 2735.7307 6463.9293 302.1691 3728.1986 6500.3874 300.1313 PRESSURE: 346000 0 0 0 0 0 0 0 0 0 GPRESSURE: 346000 0 0 0 0 0 0 0 0 0 PRESSAVG: 346000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346000 0 0 0 0 0 0 0 0 0 TIMING: 346000 CPU: 1378.84, 0.00398665/step Wall: 1378.84, 0.00398665/step, 0.17054 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 346000 640.1335 1834.0728 2029.3086 98.3476 -14.8580 -1022.0263 157.8644 0.0000 2696.2430 6419.0858 297.8076 3722.8427 6454.3580 298.8953 PRESSURE: 346100 0 0 0 0 0 0 0 0 0 GPRESSURE: 346100 0 0 0 0 0 0 0 0 0 PRESSAVG: 346100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346100 0 0 0 0 0 0 0 0 0 TIMING: 346100 CPU: 1379.23, 0.00396979/step Wall: 1379.23, 0.00396979/step, 0.169708 hours remaining, 109.652344 MB of memory in use. ENERGY: 346100 599.1477 1876.2998 2013.3322 108.1147 -13.4408 -1027.6093 164.3885 0.0000 2702.2961 6422.5289 298.4761 3720.2328 6457.1057 297.2990 PRESSURE: 346200 0 0 0 0 0 0 0 0 0 GPRESSURE: 346200 0 0 0 0 0 0 0 0 0 PRESSAVG: 346200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346200 0 0 0 0 0 0 0 0 0 TIMING: 346200 CPU: 1379.63, 0.00397463/step Wall: 1379.63, 0.00397463/step, 0.169805 hours remaining, 109.652344 MB of memory in use. ENERGY: 346200 610.2171 1889.3674 2009.2732 106.6914 -14.6805 -1067.0541 158.7033 0.0000 2723.2230 6415.7409 300.7876 3692.5179 6450.1315 296.5449 PRESSURE: 346300 0 0 0 0 0 0 0 0 0 GPRESSURE: 346300 0 0 0 0 0 0 0 0 0 PRESSAVG: 346300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346300 0 0 0 0 0 0 0 0 0 TIMING: 346300 CPU: 1380.03, 0.0039855/step Wall: 1380.03, 0.0039855/step, 0.170159 hours remaining, 109.652344 MB of memory in use. ENERGY: 346300 627.5089 1870.0897 2030.3940 99.1401 -15.2076 -1025.4233 159.5561 0.0000 2650.1338 6396.1918 292.7147 3746.0580 6427.0126 295.2270 PRESSURE: 346400 0 0 0 0 0 0 0 0 0 GPRESSURE: 346400 0 0 0 0 0 0 0 0 0 PRESSAVG: 346400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346400 0 0 0 0 0 0 0 0 0 TIMING: 346400 CPU: 1380.43, 0.00397335/step Wall: 1380.43, 0.00397335/step, 0.16953 hours remaining, 109.652344 MB of memory in use. ENERGY: 346400 671.7921 1836.0510 2005.3096 112.0936 -14.0696 -1072.2727 167.1069 0.0000 2679.6016 6385.6124 295.9695 3706.0109 6419.9180 294.8643 PRESSURE: 346500 0 0 0 0 0 0 0 0 0 GPRESSURE: 346500 0 0 0 0 0 0 0 0 0 PRESSAVG: 346500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346500 0 0 0 0 0 0 0 0 0 TIMING: 346500 CPU: 1380.83, 0.0039846/step Wall: 1380.83, 0.0039846/step, 0.169899 hours remaining, 109.652344 MB of memory in use. ENERGY: 346500 645.0164 1855.2031 2008.1373 101.8829 -15.2526 -1077.3887 171.7797 0.0000 2666.1604 6355.5385 294.4848 3689.3781 6387.9640 293.3591 PRESSURE: 346600 0 0 0 0 0 0 0 0 0 GPRESSURE: 346600 0 0 0 0 0 0 0 0 0 PRESSAVG: 346600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346600 0 0 0 0 0 0 0 0 0 TIMING: 346600 CPU: 1381.22, 0.0039704/step Wall: 1381.22, 0.0039704/step, 0.169183 hours remaining, 109.652344 MB of memory in use. ENERGY: 346600 652.8846 1832.1458 2020.2678 110.9789 -15.4384 -1043.7657 142.5493 0.0000 2636.8599 6336.4822 291.2485 3699.6223 6369.1107 293.0502 PRESSURE: 346700 0 0 0 0 0 0 0 0 0 GPRESSURE: 346700 0 0 0 0 0 0 0 0 0 PRESSAVG: 346700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346700 0 0 0 0 0 0 0 0 0 TIMING: 346700 CPU: 1381.62, 0.00397568/step Wall: 1381.62, 0.00397568/step, 0.169298 hours remaining, 109.652344 MB of memory in use. ENERGY: 346700 651.1292 1804.0302 2017.0792 97.3953 -14.0923 -1049.1672 164.0551 0.0000 2665.5412 6335.9706 294.4164 3670.4294 6369.8637 292.3871 PRESSURE: 346800 0 0 0 0 0 0 0 0 0 GPRESSURE: 346800 0 0 0 0 0 0 0 0 0 PRESSAVG: 346800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346800 0 0 0 0 0 0 0 0 0 TIMING: 346800 CPU: 1382.02, 0.00398527/step Wall: 1382.02, 0.00398527/step, 0.169595 hours remaining, 109.652344 MB of memory in use. ENERGY: 346800 656.9049 1836.0685 2012.9677 124.1797 -14.8969 -1053.2586 168.4277 0.0000 2638.0281 6368.4211 291.3775 3730.3931 6397.0763 292.8001 PRESSURE: 346900 0 0 0 0 0 0 0 0 0 GPRESSURE: 346900 0 0 0 0 0 0 0 0 0 PRESSAVG: 346900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 346900 0 0 0 0 0 0 0 0 0 TIMING: 346900 CPU: 1382.42, 0.00397419/step Wall: 1382.42, 0.00397419/step, 0.169013 hours remaining, 109.652344 MB of memory in use. ENERGY: 346900 633.9223 1876.0614 2022.3323 99.0439 -13.9255 -1030.9672 169.2409 0.0000 2627.0561 6382.7643 290.1657 3755.7081 6414.1572 292.3764 PRESSURE: 347000 0 0 0 0 0 0 0 0 0 GPRESSURE: 347000 0 0 0 0 0 0 0 0 0 PRESSAVG: 347000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347000 0 0 0 0 0 0 0 0 0 TIMING: 347000 CPU: 1382.81, 0.00398395/step Wall: 1382.81, 0.00398395/step, 0.169318 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 347000 619.9962 1843.3762 2035.8110 103.7556 -14.8023 -1037.2692 173.4277 0.0000 2646.0098 6370.3050 292.2592 3724.2952 6403.2235 291.9745 PRESSURE: 347100 0 0 0 0 0 0 0 0 0 GPRESSURE: 347100 0 0 0 0 0 0 0 0 0 PRESSAVG: 347100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347100 0 0 0 0 0 0 0 0 0 TIMING: 347100 CPU: 1383.21, 0.00397246/step Wall: 1383.21, 0.00397245/step, 0.168719 hours remaining, 109.652344 MB of memory in use. ENERGY: 347100 641.6505 1799.0998 2029.6318 111.4764 -15.2961 -1032.4648 150.9563 0.0000 2700.0964 6385.1502 298.2332 3685.0538 6417.9450 293.9537 PRESSURE: 347200 0 0 0 0 0 0 0 0 0 GPRESSURE: 347200 0 0 0 0 0 0 0 0 0 PRESSAVG: 347200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347200 0 0 0 0 0 0 0 0 0 TIMING: 347200 CPU: 1383.61, 0.00397342/step Wall: 1383.61, 0.00397343/step, 0.16865 hours remaining, 109.652344 MB of memory in use. ENERGY: 347200 609.9656 1855.2659 2034.3156 111.6953 -14.8729 -1034.7314 162.8894 0.0000 2641.9051 6366.4327 291.8058 3724.5275 6399.8862 294.4154 PRESSURE: 347300 0 0 0 0 0 0 0 0 0 GPRESSURE: 347300 0 0 0 0 0 0 0 0 0 PRESSAVG: 347300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347300 0 0 0 0 0 0 0 0 0 TIMING: 347300 CPU: 1384.01, 0.00398354/step Wall: 1384.01, 0.00398354/step, 0.168969 hours remaining, 109.652344 MB of memory in use. ENERGY: 347300 654.1000 1872.3289 2012.3307 103.8413 -14.3770 -1044.4998 156.5854 0.0000 2639.1244 6379.4339 291.4986 3740.3095 6410.8928 294.1927 PRESSURE: 347400 0 0 0 0 0 0 0 0 0 GPRESSURE: 347400 0 0 0 0 0 0 0 0 0 PRESSAVG: 347400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347400 0 0 0 0 0 0 0 0 0 TIMING: 347400 CPU: 1384.4, 0.00397293/step Wall: 1384.4, 0.00397293/step, 0.168408 hours remaining, 109.652344 MB of memory in use. ENERGY: 347400 619.4232 1862.4001 2019.1579 110.1864 -14.5032 -1040.3141 166.6567 0.0000 2678.7611 6401.7682 295.8766 3723.0071 6433.7096 295.0873 PRESSURE: 347500 0 0 0 0 0 0 0 0 0 GPRESSURE: 347500 0 0 0 0 0 0 0 0 0 PRESSAVG: 347500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347500 0 0 0 0 0 0 0 0 0 TIMING: 347500 CPU: 1384.8, 0.00398507/step Wall: 1384.8, 0.00398507/step, 0.168812 hours remaining, 109.652344 MB of memory in use. ENERGY: 347500 649.8236 1818.3125 2027.0669 99.2115 -14.1839 -1031.8289 173.8055 0.0000 2695.2185 6417.4258 297.6944 3722.2072 6448.5758 295.2232 PRESSURE: 347600 0 0 0 0 0 0 0 0 0 GPRESSURE: 347600 0 0 0 0 0 0 0 0 0 PRESSAVG: 347600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347600 0 0 0 0 0 0 0 0 0 TIMING: 347600 CPU: 1385.2, 0.00397273/step Wall: 1385.2, 0.00397273/step, 0.168179 hours remaining, 109.652344 MB of memory in use. ENERGY: 347600 646.4130 1904.9331 2013.1138 107.6787 -15.0468 -1073.8653 158.3337 0.0000 2634.1428 6375.7029 290.9484 3741.5602 6407.2405 295.6872 PRESSURE: 347700 0 0 0 0 0 0 0 0 0 GPRESSURE: 347700 0 0 0 0 0 0 0 0 0 PRESSAVG: 347700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347700 0 0 0 0 0 0 0 0 0 TIMING: 347700 CPU: 1385.6, 0.00397252/step Wall: 1385.6, 0.00397252/step, 0.16806 hours remaining, 109.652344 MB of memory in use. ENERGY: 347700 662.8376 1851.7035 2018.8215 105.2031 -13.6084 -1066.3505 170.2175 0.0000 2631.7292 6360.5535 290.6818 3728.8242 6388.4748 292.2659 PRESSURE: 347800 0 0 0 0 0 0 0 0 0 GPRESSURE: 347800 0 0 0 0 0 0 0 0 0 PRESSAVG: 347800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347800 0 0 0 0 0 0 0 0 0 TIMING: 347800 CPU: 1386, 0.003987/step Wall: 1386, 0.003987/step, 0.168561 hours remaining, 109.652344 MB of memory in use. ENERGY: 347800 665.2146 1815.1755 2049.0954 104.8241 -15.0793 -1063.8816 157.8392 0.0000 2692.5274 6405.7154 297.3972 3713.1879 6438.5030 294.4460 PRESSURE: 347900 0 0 0 0 0 0 0 0 0 GPRESSURE: 347900 0 0 0 0 0 0 0 0 0 PRESSAVG: 347900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 347900 0 0 0 0 0 0 0 0 0 TIMING: 347900 CPU: 1386.39, 0.00397409/step Wall: 1386.39, 0.00397409/step, 0.167905 hours remaining, 109.652344 MB of memory in use. ENERGY: 347900 663.2820 1888.5977 2027.7436 98.5047 -14.7376 -1066.7829 167.6169 0.0000 2697.4135 6461.6378 297.9368 3764.2243 6496.3016 297.9983 PRESSURE: 348000 0 0 0 0 0 0 0 0 0 GPRESSURE: 348000 0 0 0 0 0 0 0 0 0 PRESSAVG: 348000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348000 0 0 0 0 0 0 0 0 0 TIMING: 348000 CPU: 1386.79, 0.00398357/step Wall: 1386.79, 0.00398357/step, 0.168195 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 348000 682.2246 1952.2969 2034.7894 110.0728 -15.3600 -1085.0761 167.2712 0.0000 2641.9248 6488.1436 291.8080 3846.2188 6516.1270 298.6813 PRESSURE: 348100 0 0 0 0 0 0 0 0 0 GPRESSURE: 348100 0 0 0 0 0 0 0 0 0 PRESSAVG: 348100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348100 0 0 0 0 0 0 0 0 0 TIMING: 348100 CPU: 1387.19, 0.00397301/step Wall: 1387.19, 0.00397301/step, 0.167639 hours remaining, 109.652344 MB of memory in use. ENERGY: 348100 649.8498 1854.1951 2032.0169 110.8597 -14.7504 -1080.8795 165.5060 0.0000 2715.7400 6432.5376 299.9610 3716.7976 6466.8262 298.0092 PRESSURE: 348200 0 0 0 0 0 0 0 0 0 GPRESSURE: 348200 0 0 0 0 0 0 0 0 0 PRESSAVG: 348200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348200 0 0 0 0 0 0 0 0 0 TIMING: 348200 CPU: 1387.59, 0.00397586/step Wall: 1387.59, 0.00397586/step, 0.167649 hours remaining, 109.652344 MB of memory in use. ENERGY: 348200 662.0784 1827.5623 2029.2436 93.3723 -14.0597 -1043.2130 159.6623 0.0000 2724.1906 6438.8369 300.8944 3714.6462 6472.3996 296.9222 LDB: ============= START OF LOAD BALANCING ============== 1390.36 LDB: ============== END OF LOAD BALANCING =============== 1390.36 LDB: =============== DONE WITH MIGRATION ================ 1390.36 PRESSURE: 348300 0 0 0 0 0 0 0 0 0 GPRESSURE: 348300 0 0 0 0 0 0 0 0 0 PRESSAVG: 348300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348300 0 0 0 0 0 0 0 0 0 TIMING: 348300 CPU: 1387.99, 0.00398693/step Wall: 1387.99, 0.00398693/step, 0.168005 hours remaining, 109.652344 MB of memory in use. ENERGY: 348300 620.7056 1867.2516 2028.4279 109.7584 -13.6872 -1066.7103 167.7697 0.0000 2713.1119 6426.6276 299.6708 3713.5157 6461.2663 296.9623 LDB: ============= START OF LOAD BALANCING ============== 1390.76 LDB: ============== END OF LOAD BALANCING =============== 1390.76 LDB: =============== DONE WITH MIGRATION ================ 1390.76 PRESSURE: 348400 0 0 0 0 0 0 0 0 0 GPRESSURE: 348400 0 0 0 0 0 0 0 0 0 PRESSAVG: 348400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348400 0 0 0 0 0 0 0 0 0 TIMING: 348400 CPU: 1388.38, 0.00398422/step Wall: 1388.38, 0.00398422/step, 0.16778 hours remaining, 109.652344 MB of memory in use. ENERGY: 348400 646.9606 1818.2761 2005.0541 105.5907 -15.2465 -1012.3306 174.9242 0.0000 2703.8122 6427.0408 298.6436 3723.2286 6461.0436 296.5161 PRESSURE: 348500 0 0 0 0 0 0 0 0 0 GPRESSURE: 348500 0 0 0 0 0 0 0 0 0 PRESSAVG: 348500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348500 0 0 0 0 0 0 0 0 0 TIMING: 348500 CPU: 1388.78, 0.00398464/step Wall: 1388.78, 0.00398464/step, 0.167687 hours remaining, 109.652344 MB of memory in use. ENERGY: 348500 654.4734 1861.9791 2022.4422 109.2034 -15.7779 -1043.3484 159.2984 0.0000 2666.5077 6414.7777 294.5232 3748.2700 6448.5326 296.8545 PRESSURE: 348600 0 0 0 0 0 0 0 0 0 GPRESSURE: 348600 0 0 0 0 0 0 0 0 0 PRESSAVG: 348600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348600 0 0 0 0 0 0 0 0 0 TIMING: 348600 CPU: 1389.18, 0.00397354/step Wall: 1389.18, 0.00397354/step, 0.167109 hours remaining, 109.652344 MB of memory in use. ENERGY: 348600 659.6983 1856.7465 2028.2587 98.6662 -13.7064 -1046.7569 168.9946 0.0000 2650.5791 6402.4802 292.7638 3751.9011 6433.6028 296.6056 PRESSURE: 348700 0 0 0 0 0 0 0 0 0 GPRESSURE: 348700 0 0 0 0 0 0 0 0 0 PRESSAVG: 348700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348700 0 0 0 0 0 0 0 0 0 TIMING: 348700 CPU: 1389.58, 0.00397458/step Wall: 1389.58, 0.00397458/step, 0.167043 hours remaining, 109.652344 MB of memory in use. ENERGY: 348700 640.0995 1847.4389 2003.9072 104.6157 -14.6825 -1048.2448 153.7007 0.0000 2743.5562 6430.3909 303.0334 3686.8347 6465.5037 295.9562 PRESSURE: 348800 0 0 0 0 0 0 0 0 0 GPRESSURE: 348800 0 0 0 0 0 0 0 0 0 PRESSAVG: 348800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348800 0 0 0 0 0 0 0 0 0 TIMING: 348800 CPU: 1389.98, 0.00398928/step Wall: 1389.98, 0.00398928/step, 0.16755 hours remaining, 109.652344 MB of memory in use. ENERGY: 348800 644.2227 1836.5485 2014.0036 102.7805 -15.2318 -1039.1459 153.4741 0.0000 2760.9538 6457.6055 304.9550 3696.6516 6493.5447 298.3990 PRESSURE: 348900 0 0 0 0 0 0 0 0 0 GPRESSURE: 348900 0 0 0 0 0 0 0 0 0 PRESSAVG: 348900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 348900 0 0 0 0 0 0 0 0 0 TIMING: 348900 CPU: 1390.37, 0.00397429/step Wall: 1390.37, 0.00397429/step, 0.16681 hours remaining, 109.652344 MB of memory in use. ENERGY: 348900 658.2814 1844.8361 2012.8569 101.1840 -15.6576 -1069.0699 162.1277 0.0000 2755.7173 6450.2759 304.3766 3694.5587 6485.0322 298.4768 PRESSURE: 349000 0 0 0 0 0 0 0 0 0 GPRESSURE: 349000 0 0 0 0 0 0 0 0 0 PRESSAVG: 349000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349000 0 0 0 0 0 0 0 0 0 TIMING: 349000 CPU: 1390.77, 0.00400144/step Wall: 1390.77, 0.00400144/step, 0.167838 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 349000 663.8092 1914.1653 2003.2609 93.8602 -15.6310 -1032.4536 173.0751 0.0000 2667.1260 6467.2121 294.5915 3800.0861 6498.2133 299.1367 PRESSURE: 349100 0 0 0 0 0 0 0 0 0 GPRESSURE: 349100 0 0 0 0 0 0 0 0 0 PRESSAVG: 349100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349100 0 0 0 0 0 0 0 0 0 TIMING: 349100 CPU: 1391.17, 0.00397209/step Wall: 1391.17, 0.00397209/step, 0.166497 hours remaining, 109.652344 MB of memory in use. ENERGY: 349100 692.6249 1831.7607 2025.3209 96.8737 -15.1736 -1066.0766 165.2641 0.0000 2711.3112 6441.9053 299.4719 3730.5941 6474.2083 298.9427 PRESSURE: 349200 0 0 0 0 0 0 0 0 0 GPRESSURE: 349200 0 0 0 0 0 0 0 0 0 PRESSAVG: 349200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349200 0 0 0 0 0 0 0 0 0 TIMING: 349200 CPU: 1391.57, 0.00399633/step Wall: 1391.57, 0.00399633/step, 0.167402 hours remaining, 109.652344 MB of memory in use. ENERGY: 349200 677.5331 1832.6616 2013.4463 98.7153 -15.3146 -1028.0460 169.1824 0.0000 2699.3713 6447.5493 298.1531 3748.1780 6480.0021 298.6483 PRESSURE: 349300 0 0 0 0 0 0 0 0 0 GPRESSURE: 349300 0 0 0 0 0 0 0 0 0 PRESSAVG: 349300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349300 0 0 0 0 0 0 0 0 0 TIMING: 349300 CPU: 1391.97, 0.00398799/step Wall: 1391.97, 0.00398799/step, 0.166942 hours remaining, 109.652344 MB of memory in use. ENERGY: 349300 657.5503 1834.2016 2028.0625 98.2398 -15.9537 -1028.0456 155.3289 0.0000 2708.5786 6437.9624 299.1701 3729.3838 6472.6001 298.1877 PRESSURE: 349400 0 0 0 0 0 0 0 0 0 GPRESSURE: 349400 0 0 0 0 0 0 0 0 0 PRESSAVG: 349400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349400 0 0 0 0 0 0 0 0 0 TIMING: 349400 CPU: 1392.37, 0.00398011/step Wall: 1392.37, 0.00398011/step, 0.166501 hours remaining, 109.652344 MB of memory in use. ENERGY: 349400 639.3272 1868.2657 1982.5995 99.6903 -15.1125 -1034.6348 155.1066 0.0000 2733.2741 6428.5160 301.8977 3695.2420 6461.9483 297.3623 PRESSURE: 349500 0 0 0 0 0 0 0 0 0 GPRESSURE: 349500 0 0 0 0 0 0 0 0 0 PRESSAVG: 349500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349500 0 0 0 0 0 0 0 0 0 TIMING: 349500 CPU: 1392.77, 0.0039884/step Wall: 1392.77, 0.0039884/step, 0.166737 hours remaining, 109.652344 MB of memory in use. ENERGY: 349500 647.0225 1890.3312 2001.5754 107.9760 -15.6264 -1036.9644 159.1766 0.0000 2667.9452 6421.4361 294.6820 3753.4909 6452.8445 296.7507 PRESSURE: 349600 0 0 0 0 0 0 0 0 0 GPRESSURE: 349600 0 0 0 0 0 0 0 0 0 PRESSAVG: 349600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349600 0 0 0 0 0 0 0 0 0 TIMING: 349600 CPU: 1393.16, 0.00397597/step Wall: 1393.16, 0.00397597/step, 0.166107 hours remaining, 109.652344 MB of memory in use. ENERGY: 349600 633.8048 1892.0885 2015.5298 91.5926 -15.8048 -1053.2801 159.1757 0.0000 2671.4919 6394.5984 295.0737 3723.1065 6428.2321 295.4538 PRESSURE: 349700 0 0 0 0 0 0 0 0 0 GPRESSURE: 349700 0 0 0 0 0 0 0 0 0 PRESSAVG: 349700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349700 0 0 0 0 0 0 0 0 0 TIMING: 349700 CPU: 1393.56, 0.00397697/step Wall: 1393.56, 0.00397697/step, 0.166038 hours remaining, 109.652344 MB of memory in use. ENERGY: 349700 654.6710 1855.9132 2006.0843 113.8195 -15.4096 -1055.3050 158.2183 0.0000 2679.7959 6397.7877 295.9909 3717.9918 6431.8732 294.1574 PRESSURE: 349800 0 0 0 0 0 0 0 0 0 GPRESSURE: 349800 0 0 0 0 0 0 0 0 0 PRESSAVG: 349800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349800 0 0 0 0 0 0 0 0 0 TIMING: 349800 CPU: 1393.96, 0.00398528/step Wall: 1393.96, 0.00398528/step, 0.166275 hours remaining, 109.652344 MB of memory in use. ENERGY: 349800 643.6589 1904.3447 2040.3274 104.2296 -14.6832 -1074.3542 154.9095 0.0000 2673.1618 6431.5946 295.2582 3758.4328 6464.3067 296.0245 PRESSURE: 349900 0 0 0 0 0 0 0 0 0 GPRESSURE: 349900 0 0 0 0 0 0 0 0 0 PRESSAVG: 349900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 349900 0 0 0 0 0 0 0 0 0 TIMING: 349900 CPU: 1394.36, 0.00397528/step Wall: 1394.36, 0.00397528/step, 0.165747 hours remaining, 109.652344 MB of memory in use. ENERGY: 349900 634.6121 1879.9678 2044.0033 107.1299 -13.8504 -1064.6960 165.3286 0.0000 2690.3889 6442.8842 297.1610 3752.4952 6473.5432 297.1943 PRESSURE: 350000 0 0 0 0 0 0 0 0 0 GPRESSURE: 350000 0 0 0 0 0 0 0 0 0 PRESSAVG: 350000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350000 0 0 0 0 0 0 0 0 0 TIMING: 350000 CPU: 1394.76, 0.00398973/step Wall: 1394.76, 0.00398973/step, 0.166239 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 350000 639.4004 1860.5156 2022.6878 95.1642 -15.5724 -1078.7950 165.9801 0.0000 2745.9924 6435.3731 303.3025 3689.3806 6470.8008 298.3825 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 350000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 350000 WRITING COORDINATES TO RESTART FILE AT STEP 350000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 350000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 350100 0 0 0 0 0 0 0 0 0 GPRESSURE: 350100 0 0 0 0 0 0 0 0 0 PRESSAVG: 350100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350100 0 0 0 0 0 0 0 0 0 TIMING: 350100 CPU: 1395.19, 0.00432592/step Wall: 1395.19, 0.00432592/step, 0.180126 hours remaining, 109.652344 MB of memory in use. ENERGY: 350100 665.9786 1858.7378 2004.2193 110.3685 -14.6805 -1050.4712 166.0627 0.0000 2676.6004 6416.8156 295.6380 3740.2151 6448.4425 295.9813 PRESSURE: 350200 0 0 0 0 0 0 0 0 0 GPRESSURE: 350200 0 0 0 0 0 0 0 0 0 PRESSAVG: 350200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350200 0 0 0 0 0 0 0 0 0 TIMING: 350200 CPU: 1395.59, 0.00397625/step Wall: 1395.59, 0.00397625/step, 0.165456 hours remaining, 109.652344 MB of memory in use. ENERGY: 350200 632.7587 1863.3034 2011.6092 103.0642 -13.7945 -1075.3520 161.3460 0.0000 2701.9159 6384.8508 298.4341 3682.9349 6419.3060 296.0555 PRESSURE: 350300 0 0 0 0 0 0 0 0 0 GPRESSURE: 350300 0 0 0 0 0 0 0 0 0 PRESSAVG: 350300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350300 0 0 0 0 0 0 0 0 0 TIMING: 350300 CPU: 1395.99, 0.00399029/step Wall: 1395.99, 0.00399029/step, 0.16593 hours remaining, 109.652344 MB of memory in use. ENERGY: 350300 654.9264 1828.8806 2029.2847 106.5928 -13.5062 -1077.0784 154.6425 0.0000 2685.6384 6369.3809 296.6362 3683.7425 6401.9582 293.6845 PRESSURE: 350400 0 0 0 0 0 0 0 0 0 GPRESSURE: 350400 0 0 0 0 0 0 0 0 0 PRESSAVG: 350400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350400 0 0 0 0 0 0 0 0 0 TIMING: 350400 CPU: 1396.38, 0.00397632/step Wall: 1396.38, 0.00397632/step, 0.165238 hours remaining, 109.652344 MB of memory in use. ENERGY: 350400 708.4201 1872.7590 2006.9899 104.7134 -14.6126 -1074.5704 167.7439 0.0000 2642.1739 6413.6172 291.8355 3771.4432 6445.1428 294.1048 PRESSURE: 350500 0 0 0 0 0 0 0 0 0 GPRESSURE: 350500 0 0 0 0 0 0 0 0 0 PRESSAVG: 350500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350500 0 0 0 0 0 0 0 0 0 TIMING: 350500 CPU: 1396.78, 0.00398808/step Wall: 1396.78, 0.00398808/step, 0.165616 hours remaining, 109.652344 MB of memory in use. ENERGY: 350500 675.5771 1873.8719 2014.2767 98.5211 -15.0393 -1032.4645 165.5198 0.0000 2612.1482 6392.4111 288.5190 3780.2628 6422.7496 296.2090 PRESSURE: 350600 0 0 0 0 0 0 0 0 0 GPRESSURE: 350600 0 0 0 0 0 0 0 0 0 PRESSAVG: 350600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350600 0 0 0 0 0 0 0 0 0 TIMING: 350600 CPU: 1397.18, 0.00397392/step Wall: 1397.18, 0.00397392/step, 0.164918 hours remaining, 109.652344 MB of memory in use. ENERGY: 350600 636.7732 1814.7183 2022.8966 98.8904 -14.8632 -1022.4029 169.0802 0.0000 2720.5093 6425.6020 300.4878 3705.0927 6459.1577 295.9436 PRESSURE: 350700 0 0 0 0 0 0 0 0 0 GPRESSURE: 350700 0 0 0 0 0 0 0 0 0 PRESSAVG: 350700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350700 0 0 0 0 0 0 0 0 0 TIMING: 350700 CPU: 1397.58, 0.0039751/step Wall: 1397.58, 0.0039751/step, 0.164856 hours remaining, 109.652344 MB of memory in use. ENERGY: 350700 638.4775 1910.1135 2015.0006 109.9033 -15.3964 -1069.0210 159.9346 0.0000 2694.1896 6443.2018 297.5807 3749.0122 6477.3300 296.9550 PRESSURE: 350800 0 0 0 0 0 0 0 0 0 GPRESSURE: 350800 0 0 0 0 0 0 0 0 0 PRESSAVG: 350800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350800 0 0 0 0 0 0 0 0 0 TIMING: 350800 CPU: 1397.98, 0.00398671/step Wall: 1397.98, 0.00398671/step, 0.165227 hours remaining, 109.652344 MB of memory in use. ENERGY: 350800 629.3728 1909.4105 2025.3293 102.0029 -16.1325 -1060.3414 149.3981 0.0000 2686.3972 6425.4369 296.7201 3739.0397 6461.2134 297.8108 PRESSURE: 350900 0 0 0 0 0 0 0 0 0 GPRESSURE: 350900 0 0 0 0 0 0 0 0 0 PRESSAVG: 350900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 350900 0 0 0 0 0 0 0 0 0 TIMING: 350900 CPU: 1398.37, 0.00397752/step Wall: 1398.37, 0.00397752/step, 0.164736 hours remaining, 109.652344 MB of memory in use. ENERGY: 350900 616.5807 1875.9210 2022.0115 107.6625 -14.7146 -1046.8090 165.2752 0.0000 2717.8606 6443.7879 300.1953 3725.9273 6478.4711 296.7597 PRESSURE: 351000 0 0 0 0 0 0 0 0 0 GPRESSURE: 351000 0 0 0 0 0 0 0 0 0 PRESSAVG: 351000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351000 0 0 0 0 0 0 0 0 0 TIMING: 351000 CPU: 1398.77, 0.00398588/step Wall: 1398.77, 0.00398588/step, 0.164971 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 351000 642.1705 1895.5589 2017.5295 101.3381 -13.7423 -1034.1657 172.1192 0.0000 2676.2004 6457.0087 295.5938 3780.8083 6488.6796 297.8721 PRESSURE: 351100 0 0 0 0 0 0 0 0 0 GPRESSURE: 351100 0 0 0 0 0 0 0 0 0 PRESSAVG: 351100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351100 0 0 0 0 0 0 0 0 0 TIMING: 351100 CPU: 1399.17, 0.0039729/step Wall: 1399.17, 0.0039729/step, 0.164324 hours remaining, 109.652344 MB of memory in use. ENERGY: 351100 654.7346 1863.3605 2043.5314 111.1624 -15.8889 -1064.2008 160.6195 0.0000 2698.0579 6451.3765 298.0080 3753.3186 6481.7132 298.4531 PRESSURE: 351200 0 0 0 0 0 0 0 0 0 GPRESSURE: 351200 0 0 0 0 0 0 0 0 0 PRESSAVG: 351200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351200 0 0 0 0 0 0 0 0 0 TIMING: 351200 CPU: 1399.57, 0.00397503/step Wall: 1399.57, 0.00397503/step, 0.164301 hours remaining, 109.652344 MB of memory in use. ENERGY: 351200 695.9425 1852.0600 2037.0993 119.9864 -15.8511 -1029.9597 145.5800 0.0000 2667.4296 6472.2871 294.6250 3804.8575 6505.6136 298.0450 PRESSURE: 351300 0 0 0 0 0 0 0 0 0 GPRESSURE: 351300 0 0 0 0 0 0 0 0 0 PRESSAVG: 351300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351300 0 0 0 0 0 0 0 0 0 TIMING: 351300 CPU: 1399.97, 0.00398703/step Wall: 1399.97, 0.00398703/step, 0.164687 hours remaining, 109.652344 MB of memory in use. ENERGY: 351300 647.4381 1875.4668 2035.1677 114.6466 -15.7129 -1055.1349 158.1747 0.0000 2709.2980 6469.3440 299.2495 3760.0460 6501.8538 299.0424 PRESSURE: 351400 0 0 0 0 0 0 0 0 0 GPRESSURE: 351400 0 0 0 0 0 0 0 0 0 PRESSAVG: 351400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351400 0 0 0 0 0 0 0 0 0 TIMING: 351400 CPU: 1400.36, 0.00397427/step Wall: 1400.36, 0.00397427/step, 0.164049 hours remaining, 109.652344 MB of memory in use. ENERGY: 351400 630.3909 1883.9141 2017.9005 104.3914 -15.3365 -1042.3589 161.6893 0.0000 2704.0560 6444.6468 298.6705 3740.5908 6481.1784 297.5507 PRESSURE: 351500 0 0 0 0 0 0 0 0 0 GPRESSURE: 351500 0 0 0 0 0 0 0 0 0 PRESSAVG: 351500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351500 0 0 0 0 0 0 0 0 0 TIMING: 351500 CPU: 1400.76, 0.00398654/step Wall: 1400.76, 0.00398654/step, 0.164445 hours remaining, 109.652344 MB of memory in use. ENERGY: 351500 688.5983 1840.7118 2031.1718 107.8034 -14.5940 -1091.8648 162.1500 0.0000 2695.5382 6419.5146 297.7297 3723.9764 6450.8075 296.0320 PRESSURE: 351600 0 0 0 0 0 0 0 0 0 GPRESSURE: 351600 0 0 0 0 0 0 0 0 0 PRESSAVG: 351600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351600 0 0 0 0 0 0 0 0 0 TIMING: 351600 CPU: 1401.16, 0.0039724/step Wall: 1401.16, 0.0039724/step, 0.163751 hours remaining, 109.652344 MB of memory in use. ENERGY: 351600 621.1934 1880.0502 2012.7588 102.7647 -14.7110 -1052.0852 156.8760 0.0000 2700.4956 6407.3424 298.2773 3706.8468 6440.6228 295.9350 PRESSURE: 351700 0 0 0 0 0 0 0 0 0 GPRESSURE: 351700 0 0 0 0 0 0 0 0 0 PRESSAVG: 351700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351700 0 0 0 0 0 0 0 0 0 TIMING: 351700 CPU: 1401.56, 0.00397531/step Wall: 1401.56, 0.00397531/step, 0.163761 hours remaining, 109.652344 MB of memory in use. ENERGY: 351700 626.9698 1916.4571 2001.2020 98.7238 -15.4681 -1042.2905 175.1645 0.0000 2661.7261 6422.4847 293.9951 3760.7586 6456.6347 296.1640 PRESSURE: 351800 0 0 0 0 0 0 0 0 0 GPRESSURE: 351800 0 0 0 0 0 0 0 0 0 PRESSAVG: 351800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351800 0 0 0 0 0 0 0 0 0 TIMING: 351800 CPU: 1401.96, 0.00398777/step Wall: 1401.96, 0.00398777/step, 0.164163 hours remaining, 109.652344 MB of memory in use. ENERGY: 351800 644.6643 1835.3618 2008.2012 99.2867 -13.6501 -1031.0987 171.4292 0.0000 2728.3011 6442.4954 301.3485 3714.1943 6475.6565 296.1612 PRESSURE: 351900 0 0 0 0 0 0 0 0 0 GPRESSURE: 351900 0 0 0 0 0 0 0 0 0 PRESSAVG: 351900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 351900 0 0 0 0 0 0 0 0 0 TIMING: 351900 CPU: 1402.35, 0.00397681/step Wall: 1402.35, 0.00397681/step, 0.163602 hours remaining, 109.652344 MB of memory in use. ENERGY: 351900 650.9359 1906.4157 1993.3971 103.3721 -15.8201 -1074.1159 176.2289 0.0000 2708.9686 6449.3823 299.2131 3740.4137 6484.2862 297.6359 PRESSURE: 352000 0 0 0 0 0 0 0 0 0 GPRESSURE: 352000 0 0 0 0 0 0 0 0 0 PRESSAVG: 352000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352000 0 0 0 0 0 0 0 0 0 TIMING: 352000 CPU: 1402.75, 0.00398713/step Wall: 1402.75, 0.00398713/step, 0.163915 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 352000 623.5961 1875.7639 2023.1551 112.0892 -14.7763 -1024.1014 167.0385 0.0000 2710.0382 6472.8033 299.3313 3762.7651 6508.5237 298.1260 PRESSURE: 352100 0 0 0 0 0 0 0 0 0 GPRESSURE: 352100 0 0 0 0 0 0 0 0 0 PRESSAVG: 352100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352100 0 0 0 0 0 0 0 0 0 TIMING: 352100 CPU: 1403.15, 0.00397404/step Wall: 1403.15, 0.00397404/step, 0.163267 hours remaining, 109.652344 MB of memory in use. ENERGY: 352100 648.9837 1929.4685 1983.5695 106.7757 -15.2331 -1052.6292 154.1319 0.0000 2701.1049 6456.1718 298.3446 3755.0668 6486.0172 298.8818 PRESSURE: 352200 0 0 0 0 0 0 0 0 0 GPRESSURE: 352200 0 0 0 0 0 0 0 0 0 PRESSAVG: 352200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352200 0 0 0 0 0 0 0 0 0 TIMING: 352200 CPU: 1403.55, 0.0039736/step Wall: 1403.55, 0.0039736/step, 0.163138 hours remaining, 109.652344 MB of memory in use. ENERGY: 352200 647.1470 1901.9636 2033.4819 113.7723 -16.4079 -1057.3357 156.0823 0.0000 2696.3918 6475.0954 297.8240 3778.7035 6505.6480 300.4425 LDB: ============= START OF LOAD BALANCING ============== 1406.32 LDB: ============== END OF LOAD BALANCING =============== 1406.32 LDB: =============== DONE WITH MIGRATION ================ 1406.32 PRESSURE: 352300 0 0 0 0 0 0 0 0 0 GPRESSURE: 352300 0 0 0 0 0 0 0 0 0 PRESSAVG: 352300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352300 0 0 0 0 0 0 0 0 0 TIMING: 352300 CPU: 1403.95, 0.0039882/step Wall: 1403.95, 0.0039882/step, 0.163627 hours remaining, 109.652344 MB of memory in use. ENERGY: 352300 673.3189 1890.1948 2013.4744 113.8279 -16.4326 -1055.6979 170.7107 0.0000 2743.8922 6533.2884 303.0705 3789.3962 6567.8769 300.1569 LDB: ============= START OF LOAD BALANCING ============== 1406.72 LDB: ============== END OF LOAD BALANCING =============== 1406.72 LDB: =============== DONE WITH MIGRATION ================ 1406.72 PRESSURE: 352400 0 0 0 0 0 0 0 0 0 GPRESSURE: 352400 0 0 0 0 0 0 0 0 0 PRESSAVG: 352400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352400 0 0 0 0 0 0 0 0 0 TIMING: 352400 CPU: 1404.34, 0.00398298/step Wall: 1404.34, 0.00398298/step, 0.163302 hours remaining, 109.652344 MB of memory in use. ENERGY: 352400 686.2875 1950.1812 2036.5316 110.0032 -15.4074 -1056.1726 157.8866 0.0000 2694.8525 6564.1627 297.6540 3869.3101 6596.3591 302.9292 PRESSURE: 352500 0 0 0 0 0 0 0 0 0 GPRESSURE: 352500 0 0 0 0 0 0 0 0 0 PRESSAVG: 352500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352500 0 0 0 0 0 0 0 0 0 TIMING: 352500 CPU: 1404.74, 0.00398803/step Wall: 1404.74, 0.00398803/step, 0.163398 hours remaining, 109.652344 MB of memory in use. ENERGY: 352500 648.7399 1919.8460 2008.4957 110.3511 -14.4734 -1023.4784 174.0530 0.0000 2735.5157 6559.0496 302.1453 3823.5339 6593.3985 303.7953 PRESSURE: 352600 0 0 0 0 0 0 0 0 0 GPRESSURE: 352600 0 0 0 0 0 0 0 0 0 PRESSAVG: 352600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352600 0 0 0 0 0 0 0 0 0 TIMING: 352600 CPU: 1405.14, 0.00397228/step Wall: 1405.14, 0.00397228/step, 0.162643 hours remaining, 109.652344 MB of memory in use. ENERGY: 352600 658.1441 1927.3537 2044.5882 105.8129 -14.7951 -1071.5029 174.8733 0.0000 2692.3450 6516.8192 297.3770 3824.4742 6550.3791 301.7739 PRESSURE: 352700 0 0 0 0 0 0 0 0 0 GPRESSURE: 352700 0 0 0 0 0 0 0 0 0 PRESSAVG: 352700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352700 0 0 0 0 0 0 0 0 0 TIMING: 352700 CPU: 1405.54, 0.0039749/step Wall: 1405.54, 0.0039749/step, 0.16264 hours remaining, 109.652344 MB of memory in use. ENERGY: 352700 668.7101 1896.9893 2002.0496 103.2047 -15.1509 -1013.1273 159.4978 0.0000 2740.5006 6542.6737 302.6959 3802.1732 6572.8911 303.2069 PRESSURE: 352800 0 0 0 0 0 0 0 0 0 GPRESSURE: 352800 0 0 0 0 0 0 0 0 0 PRESSAVG: 352800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352800 0 0 0 0 0 0 0 0 0 TIMING: 352800 CPU: 1405.94, 0.00398446/step Wall: 1405.94, 0.00398446/step, 0.16292 hours remaining, 109.652344 MB of memory in use. ENERGY: 352800 664.9385 1857.0226 2038.0680 105.4845 -15.1606 -1022.2709 162.7780 0.0000 2756.1722 6547.0323 304.4269 3790.8601 6582.3530 302.9024 PRESSURE: 352900 0 0 0 0 0 0 0 0 0 GPRESSURE: 352900 0 0 0 0 0 0 0 0 0 PRESSAVG: 352900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 352900 0 0 0 0 0 0 0 0 0 TIMING: 352900 CPU: 1406.33, 0.00397139/step Wall: 1406.33, 0.00397139/step, 0.162275 hours remaining, 109.652344 MB of memory in use. ENERGY: 352900 664.6206 1886.1254 2029.7332 110.9470 -14.9264 -1041.7545 172.9285 0.0000 2733.9869 6541.6608 301.9765 3807.6739 6574.9339 303.1998 PRESSURE: 353000 0 0 0 0 0 0 0 0 0 GPRESSURE: 353000 0 0 0 0 0 0 0 0 0 PRESSAVG: 353000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353000 0 0 0 0 0 0 0 0 0 TIMING: 353000 CPU: 1406.73, 0.00398575/step Wall: 1406.73, 0.00398575/step, 0.162751 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 353000 664.6954 1910.3233 1991.2502 100.4404 -15.0545 -1036.4888 148.6239 0.0000 2812.1314 6575.9214 310.6078 3763.7900 6611.3141 303.8395 PRESSURE: 353100 0 0 0 0 0 0 0 0 0 GPRESSURE: 353100 0 0 0 0 0 0 0 0 0 PRESSAVG: 353100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353100 0 0 0 0 0 0 0 0 0 TIMING: 353100 CPU: 1407.13, 0.00397303/step Wall: 1407.13, 0.00397303/step, 0.162122 hours remaining, 109.652344 MB of memory in use. ENERGY: 353100 637.8940 1878.9778 2031.8209 109.1415 -14.9007 -1025.2375 163.9785 0.0000 2780.1544 6561.8289 307.0758 3781.6746 6596.7823 305.2360 PRESSURE: 353200 0 0 0 0 0 0 0 0 0 GPRESSURE: 353200 0 0 0 0 0 0 0 0 0 PRESSAVG: 353200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353200 0 0 0 0 0 0 0 0 0 TIMING: 353200 CPU: 1407.53, 0.00397429/step Wall: 1407.53, 0.00397429/step, 0.162063 hours remaining, 109.652344 MB of memory in use. ENERGY: 353200 678.2161 1833.7437 2016.8605 96.2486 -15.2015 -1047.1554 173.8006 0.0000 2789.7553 6526.2680 308.1362 3736.5128 6559.7893 302.9931 PRESSURE: 353300 0 0 0 0 0 0 0 0 0 GPRESSURE: 353300 0 0 0 0 0 0 0 0 0 PRESSAVG: 353300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353300 0 0 0 0 0 0 0 0 0 TIMING: 353300 CPU: 1407.92, 0.0039864/step Wall: 1407.92, 0.0039864/step, 0.162446 hours remaining, 109.652344 MB of memory in use. ENERGY: 353300 612.3634 1894.7223 2015.6357 106.0680 -14.9321 -1016.1138 160.1977 0.0000 2787.6032 6545.5443 307.8985 3757.9412 6581.1520 301.8139 PRESSURE: 353400 0 0 0 0 0 0 0 0 0 GPRESSURE: 353400 0 0 0 0 0 0 0 0 0 PRESSAVG: 353400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353400 0 0 0 0 0 0 0 0 0 TIMING: 353400 CPU: 1408.32, 0.00397267/step Wall: 1408.32, 0.00397267/step, 0.161776 hours remaining, 109.652344 MB of memory in use. ENERGY: 353400 635.0769 1914.0436 2031.4962 105.9113 -14.7557 -1050.1310 173.1879 0.0000 2748.8279 6543.6571 303.6157 3794.8292 6576.4862 303.5199 PRESSURE: 353500 0 0 0 0 0 0 0 0 0 GPRESSURE: 353500 0 0 0 0 0 0 0 0 0 PRESSAVG: 353500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353500 0 0 0 0 0 0 0 0 0 TIMING: 353500 CPU: 1408.72, 0.00398643/step Wall: 1408.72, 0.00398643/step, 0.162226 hours remaining, 109.652344 MB of memory in use. ENERGY: 353500 633.1065 1878.6561 2023.6462 99.8090 -15.2168 -1059.6120 167.2457 0.0000 2795.7074 6523.3420 308.7937 3727.6346 6558.4606 302.1479 PRESSURE: 353600 0 0 0 0 0 0 0 0 0 GPRESSURE: 353600 0 0 0 0 0 0 0 0 0 PRESSAVG: 353600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353600 0 0 0 0 0 0 0 0 0 TIMING: 353600 CPU: 1409.12, 0.00397314/step Wall: 1409.12, 0.00397314/step, 0.161574 hours remaining, 109.652344 MB of memory in use. ENERGY: 353600 685.0794 1885.7392 2014.3895 115.5458 -14.8602 -1037.6843 161.2966 0.0000 2716.9743 6526.4803 300.0974 3809.5059 6557.1423 301.2329 PRESSURE: 353700 0 0 0 0 0 0 0 0 0 GPRESSURE: 353700 0 0 0 0 0 0 0 0 0 PRESSAVG: 353700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353700 0 0 0 0 0 0 0 0 0 TIMING: 353700 CPU: 1409.52, 0.00397453/step Wall: 1409.52, 0.00397453/step, 0.161521 hours remaining, 109.652344 MB of memory in use. ENERGY: 353700 616.1013 1879.7427 2030.7231 104.0014 -15.3084 -1029.3440 158.9083 0.0000 2761.1228 6505.9471 304.9737 3744.8243 6540.0646 301.4353 PRESSURE: 353800 0 0 0 0 0 0 0 0 0 GPRESSURE: 353800 0 0 0 0 0 0 0 0 0 PRESSAVG: 353800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353800 0 0 0 0 0 0 0 0 0 TIMING: 353800 CPU: 1409.91, 0.00398711/step Wall: 1409.91, 0.00398711/step, 0.161921 hours remaining, 109.652344 MB of memory in use. ENERGY: 353800 671.4839 1860.1603 2015.2786 110.8813 -14.8672 -1047.7202 177.5873 0.0000 2695.8947 6468.6986 297.7691 3772.8040 6501.8432 299.1786 PRESSURE: 353900 0 0 0 0 0 0 0 0 0 GPRESSURE: 353900 0 0 0 0 0 0 0 0 0 PRESSAVG: 353900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 353900 0 0 0 0 0 0 0 0 0 TIMING: 353900 CPU: 1410.31, 0.00397219/step Wall: 1410.31, 0.00397219/step, 0.161205 hours remaining, 109.652344 MB of memory in use. ENERGY: 353900 637.6839 1864.0503 2007.4243 105.1090 -15.0018 -1026.5224 157.9376 0.0000 2663.6803 6394.3610 294.2109 3730.6808 6427.0151 296.2569 PRESSURE: 354000 0 0 0 0 0 0 0 0 0 GPRESSURE: 354000 0 0 0 0 0 0 0 0 0 PRESSAVG: 354000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354000 0 0 0 0 0 0 0 0 0 TIMING: 354000 CPU: 1410.71, 0.00398848/step Wall: 1410.71, 0.00398848/step, 0.161755 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 354000 699.8344 1880.6925 1993.6953 92.3017 -14.3976 -1044.9766 168.3418 0.0000 2622.4662 6397.9577 289.6587 3775.4915 6431.2459 293.7583 PRESSURE: 354100 0 0 0 0 0 0 0 0 0 GPRESSURE: 354100 0 0 0 0 0 0 0 0 0 PRESSAVG: 354100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354100 0 0 0 0 0 0 0 0 0 TIMING: 354100 CPU: 1411.11, 0.00397633/step Wall: 1411.11, 0.00397633/step, 0.161152 hours remaining, 109.652344 MB of memory in use. ENERGY: 354100 688.0491 1876.4249 2010.1900 95.7698 -15.3223 -1073.9290 145.1353 0.0000 2681.7776 6408.0955 296.2098 3726.3179 6442.6958 295.5601 PRESSURE: 354200 0 0 0 0 0 0 0 0 0 GPRESSURE: 354200 0 0 0 0 0 0 0 0 0 PRESSAVG: 354200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354200 0 0 0 0 0 0 0 0 0 TIMING: 354200 CPU: 1411.51, 0.00397498/step Wall: 1411.51, 0.00397498/step, 0.160987 hours remaining, 109.652344 MB of memory in use. ENERGY: 354200 714.4334 1853.9528 2000.6071 109.5197 -14.7377 -1043.9375 172.4803 0.0000 2634.3562 6426.6743 290.9720 3792.3181 6457.9496 297.3343 PRESSURE: 354300 0 0 0 0 0 0 0 0 0 GPRESSURE: 354300 0 0 0 0 0 0 0 0 0 PRESSAVG: 354300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354300 0 0 0 0 0 0 0 0 0 TIMING: 354300 CPU: 1411.9, 0.00398703/step Wall: 1411.9, 0.00398703/step, 0.161364 hours remaining, 109.652344 MB of memory in use. ENERGY: 354300 616.7668 1861.4258 1994.7750 110.0393 -14.7285 -1049.1694 174.5831 0.0000 2726.2224 6419.9145 301.1189 3693.6920 6456.1728 296.1794 PRESSURE: 354400 0 0 0 0 0 0 0 0 0 GPRESSURE: 354400 0 0 0 0 0 0 0 0 0 PRESSAVG: 354400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354400 0 0 0 0 0 0 0 0 0 TIMING: 354400 CPU: 1412.3, 0.00397286/step Wall: 1412.3, 0.00397286/step, 0.16068 hours remaining, 109.652344 MB of memory in use. ENERGY: 354400 643.5209 1840.6531 2017.8115 103.8333 -15.0231 -1024.3149 151.9333 0.0000 2709.9048 6428.3189 299.3165 3718.4141 6466.1822 296.6807 PRESSURE: 354500 0 0 0 0 0 0 0 0 0 GPRESSURE: 354500 0 0 0 0 0 0 0 0 0 PRESSAVG: 354500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354500 0 0 0 0 0 0 0 0 0 TIMING: 354500 CPU: 1412.7, 0.00397284/step Wall: 1412.7, 0.00397284/step, 0.160569 hours remaining, 109.652344 MB of memory in use. ENERGY: 354500 624.8152 1863.7930 2028.9114 106.7793 -13.9944 -1021.6965 159.1182 0.0000 2688.0537 6435.7799 296.9030 3747.7262 6466.3458 298.2678 PRESSURE: 354600 0 0 0 0 0 0 0 0 0 GPRESSURE: 354600 0 0 0 0 0 0 0 0 0 PRESSAVG: 354600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354600 0 0 0 0 0 0 0 0 0 TIMING: 354600 CPU: 1413.1, 0.00398342/step Wall: 1413.1, 0.00398342/step, 0.160886 hours remaining, 109.652344 MB of memory in use. ENERGY: 354600 659.0361 1877.4456 1992.1520 108.6735 -14.0835 -1047.8260 153.7778 0.0000 2703.6589 6432.8344 298.6267 3729.1755 6467.5942 297.1695 PRESSURE: 354700 0 0 0 0 0 0 0 0 0 GPRESSURE: 354700 0 0 0 0 0 0 0 0 0 PRESSAVG: 354700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354700 0 0 0 0 0 0 0 0 0 TIMING: 354700 CPU: 1413.49, 0.00397402/step Wall: 1413.49, 0.00397402/step, 0.160396 hours remaining, 109.652344 MB of memory in use. ENERGY: 354700 675.2126 1831.9653 2039.4199 106.9430 -15.9119 -1069.0022 163.6127 0.0000 2723.1385 6455.3779 300.7782 3732.2394 6492.2645 297.9897 PRESSURE: 354800 0 0 0 0 0 0 0 0 0 GPRESSURE: 354800 0 0 0 0 0 0 0 0 0 PRESSAVG: 354800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354800 0 0 0 0 0 0 0 0 0 TIMING: 354800 CPU: 1413.89, 0.0039886/step Wall: 1413.89, 0.0039886/step, 0.160874 hours remaining, 109.652344 MB of memory in use. ENERGY: 354800 653.5281 1865.0780 2030.0814 114.3503 -14.8105 -1028.6817 165.6645 0.0000 2722.0377 6507.2479 300.6566 3785.2102 6542.5298 298.3883 PRESSURE: 354900 0 0 0 0 0 0 0 0 0 GPRESSURE: 354900 0 0 0 0 0 0 0 0 0 PRESSAVG: 354900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 354900 0 0 0 0 0 0 0 0 0 TIMING: 354900 CPU: 1414.29, 0.00397507/step Wall: 1414.29, 0.00397507/step, 0.160217 hours remaining, 109.652344 MB of memory in use. ENERGY: 354900 636.9681 1900.4168 1991.3085 104.6541 -15.3154 -1023.9090 138.4807 0.0000 2774.1138 6506.7177 306.4086 3732.6039 6540.3516 302.0877 PRESSURE: 355000 0 0 0 0 0 0 0 0 0 GPRESSURE: 355000 0 0 0 0 0 0 0 0 0 PRESSAVG: 355000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355000 0 0 0 0 0 0 0 0 0 TIMING: 355000 CPU: 1414.69, 0.0039747/step Wall: 1414.69, 0.0039747/step, 0.160092 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 355000 672.7334 1923.1779 1998.8141 94.8809 -14.7127 -1033.2972 163.8191 0.0000 2700.3888 6505.8044 298.2655 3805.4155 6537.8270 302.1197 PRESSURE: 355100 0 0 0 0 0 0 0 0 0 GPRESSURE: 355100 0 0 0 0 0 0 0 0 0 PRESSAVG: 355100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355100 0 0 0 0 0 0 0 0 0 TIMING: 355100 CPU: 1415.09, 0.00398321/step Wall: 1415.09, 0.00398321/step, 0.160324 hours remaining, 109.652344 MB of memory in use. ENERGY: 355100 641.4224 1982.0662 1989.2475 103.7312 -14.7507 -1049.5441 159.8857 0.0000 2722.8988 6534.9569 300.7518 3812.0581 6566.4018 301.6111 PRESSURE: 355200 0 0 0 0 0 0 0 0 0 GPRESSURE: 355200 0 0 0 0 0 0 0 0 0 PRESSAVG: 355200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355200 0 0 0 0 0 0 0 0 0 TIMING: 355200 CPU: 1415.48, 0.00397436/step Wall: 1415.48, 0.00397436/step, 0.159858 hours remaining, 109.652344 MB of memory in use. ENERGY: 355200 677.6824 1889.2331 2026.7920 97.7139 -14.6691 -1054.3022 155.7469 0.0000 2783.0838 6561.2809 307.3994 3778.1971 6593.8047 303.3754 PRESSURE: 355300 0 0 0 0 0 0 0 0 0 GPRESSURE: 355300 0 0 0 0 0 0 0 0 0 PRESSAVG: 355300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355300 0 0 0 0 0 0 0 0 0 TIMING: 355300 CPU: 1415.88, 0.00398653/step Wall: 1415.88, 0.00398653/step, 0.160236 hours remaining, 109.652344 MB of memory in use. ENERGY: 355300 655.6251 1884.8650 2037.9098 97.9250 -14.6086 -1053.1255 167.2210 0.0000 2779.2228 6555.0347 306.9729 3775.8118 6590.0555 303.5806 PRESSURE: 355400 0 0 0 0 0 0 0 0 0 GPRESSURE: 355400 0 0 0 0 0 0 0 0 0 PRESSAVG: 355400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355400 0 0 0 0 0 0 0 0 0 TIMING: 355400 CPU: 1416.28, 0.00397217/step Wall: 1416.28, 0.00397217/step, 0.159549 hours remaining, 109.652344 MB of memory in use. ENERGY: 355400 656.7040 1914.8611 2041.7351 103.9898 -14.1940 -1065.0566 162.6010 0.0000 2764.3001 6564.9405 305.3246 3800.6404 6599.2920 305.2360 PRESSURE: 355500 0 0 0 0 0 0 0 0 0 GPRESSURE: 355500 0 0 0 0 0 0 0 0 0 PRESSAVG: 355500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355500 0 0 0 0 0 0 0 0 0 TIMING: 355500 CPU: 1416.68, 0.00397102/step Wall: 1416.68, 0.00397102/step, 0.159392 hours remaining, 109.652344 MB of memory in use. ENERGY: 355500 662.0160 1883.8634 2032.7363 105.3802 -14.3851 -1040.8264 164.3544 0.0000 2790.9310 6584.0698 308.2661 3793.1388 6617.0517 303.9955 PRESSURE: 355600 0 0 0 0 0 0 0 0 0 GPRESSURE: 355600 0 0 0 0 0 0 0 0 0 PRESSAVG: 355600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355600 0 0 0 0 0 0 0 0 0 TIMING: 355600 CPU: 1417.08, 0.00398408/step Wall: 1417.08, 0.00398408/step, 0.159806 hours remaining, 109.652344 MB of memory in use. ENERGY: 355600 639.3575 1935.2960 2046.8759 119.2560 -13.6525 -1057.9560 185.7333 0.0000 2699.7723 6554.6825 298.1974 3854.9102 6588.1232 306.0638 PRESSURE: 355700 0 0 0 0 0 0 0 0 0 GPRESSURE: 355700 0 0 0 0 0 0 0 0 0 PRESSAVG: 355700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355700 0 0 0 0 0 0 0 0 0 TIMING: 355700 CPU: 1417.47, 0.00397226/step Wall: 1417.47, 0.00397226/step, 0.159221 hours remaining, 109.652344 MB of memory in use. ENERGY: 355700 689.6244 1853.7477 2027.7580 107.8884 -15.6316 -1041.8201 163.3163 0.0000 2765.0695 6549.9525 305.4096 3784.8830 6582.5486 303.3216 PRESSURE: 355800 0 0 0 0 0 0 0 0 0 GPRESSURE: 355800 0 0 0 0 0 0 0 0 0 PRESSAVG: 355800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355800 0 0 0 0 0 0 0 0 0 TIMING: 355800 CPU: 1417.87, 0.00398665/step Wall: 1417.87, 0.00398665/step, 0.159688 hours remaining, 109.652344 MB of memory in use. ENERGY: 355800 647.7804 1923.5346 2031.0371 105.0069 -14.6735 -1072.5738 161.8232 0.0000 2752.2473 6534.1822 303.9934 3781.9349 6569.5209 303.8397 PRESSURE: 355900 0 0 0 0 0 0 0 0 0 GPRESSURE: 355900 0 0 0 0 0 0 0 0 0 PRESSAVG: 355900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 355900 0 0 0 0 0 0 0 0 0 TIMING: 355900 CPU: 1418.27, 0.00397364/step Wall: 1418.27, 0.00397364/step, 0.159056 hours remaining, 109.652344 MB of memory in use. ENERGY: 355900 634.8866 1843.1509 2014.1766 106.8142 -13.5015 -1058.3394 177.8723 0.0000 2777.4177 6482.4774 306.7735 3705.0598 6519.1818 301.4914 PRESSURE: 356000 0 0 0 0 0 0 0 0 0 GPRESSURE: 356000 0 0 0 0 0 0 0 0 0 PRESSAVG: 356000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356000 0 0 0 0 0 0 0 0 0 TIMING: 356000 CPU: 1418.67, 0.00397475/step Wall: 1418.67, 0.00397475/step, 0.15899 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 356000 644.3141 1859.8107 2003.7821 106.8622 -14.3519 -1057.8209 180.0083 0.0000 2739.8646 6462.4692 302.6257 3722.6046 6496.4245 298.7216 PRESSURE: 356100 0 0 0 0 0 0 0 0 0 GPRESSURE: 356100 0 0 0 0 0 0 0 0 0 PRESSAVG: 356100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356100 0 0 0 0 0 0 0 0 0 TIMING: 356100 CPU: 1419.06, 0.0039829/step Wall: 1419.06, 0.0039829/step, 0.159205 hours remaining, 109.652344 MB of memory in use. ENERGY: 356100 697.6851 1900.0169 1995.7399 103.2538 -14.1874 -1037.3647 161.6650 0.0000 2672.2816 6479.0902 295.1609 3806.8086 6510.5837 299.5119 PRESSURE: 356200 0 0 0 0 0 0 0 0 0 GPRESSURE: 356200 0 0 0 0 0 0 0 0 0 PRESSAVG: 356200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356200 0 0 0 0 0 0 0 0 0 TIMING: 356200 CPU: 1419.46, 0.00397423/step Wall: 1419.46, 0.00397423/step, 0.158748 hours remaining, 109.652344 MB of memory in use. ENERGY: 356200 651.1805 1890.1814 2012.8815 97.0125 -14.8446 -1035.5971 155.7298 0.0000 2730.5359 6487.0800 301.5953 3756.5440 6519.9244 299.7381 LDB: ============= START OF LOAD BALANCING ============== 1422.24 LDB: ============== END OF LOAD BALANCING =============== 1422.24 LDB: =============== DONE WITH MIGRATION ================ 1422.24 PRESSURE: 356300 0 0 0 0 0 0 0 0 0 GPRESSURE: 356300 0 0 0 0 0 0 0 0 0 PRESSAVG: 356300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356300 0 0 0 0 0 0 0 0 0 TIMING: 356300 CPU: 1419.86, 0.00398951/step Wall: 1419.86, 0.00398951/step, 0.159248 hours remaining, 109.652344 MB of memory in use. ENERGY: 356300 625.8325 1867.9951 2013.8417 114.1838 -14.1865 -1071.1408 168.2899 0.0000 2788.5281 6493.3439 308.0007 3704.8158 6532.5940 299.4474 LDB: ============= START OF LOAD BALANCING ============== 1422.64 LDB: ============== END OF LOAD BALANCING =============== 1422.64 LDB: =============== DONE WITH MIGRATION ================ 1422.64 PRESSURE: 356400 0 0 0 0 0 0 0 0 0 GPRESSURE: 356400 0 0 0 0 0 0 0 0 0 PRESSAVG: 356400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356400 0 0 0 0 0 0 0 0 0 TIMING: 356400 CPU: 1420.26, 0.00398177/step Wall: 1420.26, 0.00398177/step, 0.158828 hours remaining, 109.652344 MB of memory in use. ENERGY: 356400 673.1934 1907.6188 1995.3113 106.9244 -14.5855 -1045.1620 174.8371 0.0000 2704.0714 6502.2090 298.6722 3798.1376 6533.1430 301.1748 PRESSURE: 356500 0 0 0 0 0 0 0 0 0 GPRESSURE: 356500 0 0 0 0 0 0 0 0 0 PRESSAVG: 356500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356500 0 0 0 0 0 0 0 0 0 TIMING: 356500 CPU: 1420.66, 0.00397266/step Wall: 1420.66, 0.00397266/step, 0.158355 hours remaining, 109.652344 MB of memory in use. ENERGY: 356500 649.2865 1869.4991 2018.0316 123.1790 -14.7310 -1026.4534 165.9644 0.0000 2676.2054 6460.9814 295.5943 3784.7761 6493.6107 300.1487 PRESSURE: 356600 0 0 0 0 0 0 0 0 0 GPRESSURE: 356600 0 0 0 0 0 0 0 0 0 PRESSAVG: 356600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356600 0 0 0 0 0 0 0 0 0 TIMING: 356600 CPU: 1421.05, 0.00398454/step Wall: 1421.05, 0.00398454/step, 0.158717 hours remaining, 109.652344 MB of memory in use. ENERGY: 356600 692.0287 1882.0029 2017.9453 94.5904 -14.8927 -1039.7275 172.5610 0.0000 2666.1827 6470.6908 294.4873 3804.5081 6501.8578 299.6705 PRESSURE: 356700 0 0 0 0 0 0 0 0 0 GPRESSURE: 356700 0 0 0 0 0 0 0 0 0 PRESSAVG: 356700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356700 0 0 0 0 0 0 0 0 0 TIMING: 356700 CPU: 1421.45, 0.00397417/step Wall: 1421.45, 0.00397417/step, 0.158194 hours remaining, 109.652344 MB of memory in use. ENERGY: 356700 642.5889 1938.1648 2021.9621 105.9467 -13.7766 -1048.5669 164.0044 0.0000 2642.1535 6452.4768 291.8332 3810.3232 6481.7378 299.2452 PRESSURE: 356800 0 0 0 0 0 0 0 0 0 GPRESSURE: 356800 0 0 0 0 0 0 0 0 0 PRESSAVG: 356800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356800 0 0 0 0 0 0 0 0 0 TIMING: 356800 CPU: 1421.85, 0.00398318/step Wall: 1421.85, 0.00398318/step, 0.158442 hours remaining, 109.652344 MB of memory in use. ENERGY: 356800 639.0139 1839.1162 2031.6948 100.2117 -13.5267 -1013.3839 175.5299 0.0000 2679.1953 6437.8514 295.9246 3758.6561 6470.8090 298.5246 PRESSURE: 356900 0 0 0 0 0 0 0 0 0 GPRESSURE: 356900 0 0 0 0 0 0 0 0 0 PRESSAVG: 356900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 356900 0 0 0 0 0 0 0 0 0 TIMING: 356900 CPU: 1422.25, 0.00396991/step Wall: 1422.25, 0.00396991/step, 0.157804 hours remaining, 109.652344 MB of memory in use. ENERGY: 356900 635.5762 1861.0195 2002.7200 106.2828 -13.5175 -1011.9007 161.3600 0.0000 2701.2978 6442.8382 298.3659 3741.5403 6475.7006 296.4791 PRESSURE: 357000 0 0 0 0 0 0 0 0 0 GPRESSURE: 357000 0 0 0 0 0 0 0 0 0 PRESSAVG: 357000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357000 0 0 0 0 0 0 0 0 0 TIMING: 357000 CPU: 1422.64, 0.00397294/step Wall: 1422.64, 0.00397294/step, 0.157814 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 357000 697.9242 1875.5842 2018.0314 111.2067 -14.6840 -1033.1758 167.6672 0.0000 2660.3210 6482.8750 293.8399 3822.5540 6513.8165 299.4731 PRESSURE: 357100 0 0 0 0 0 0 0 0 0 GPRESSURE: 357100 0 0 0 0 0 0 0 0 0 PRESSAVG: 357100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357100 0 0 0 0 0 0 0 0 0 TIMING: 357100 CPU: 1423.04, 0.00398635/step Wall: 1423.04, 0.00398635/step, 0.158236 hours remaining, 109.652344 MB of memory in use. ENERGY: 357100 651.7173 1804.2729 2035.1933 112.8608 -14.6766 -1008.9683 169.0262 0.0000 2733.1960 6482.6215 301.8891 3749.4255 6513.7279 301.4870 PRESSURE: 357200 0 0 0 0 0 0 0 0 0 GPRESSURE: 357200 0 0 0 0 0 0 0 0 0 PRESSAVG: 357200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357200 0 0 0 0 0 0 0 0 0 TIMING: 357200 CPU: 1423.44, 0.00397317/step Wall: 1423.44, 0.00397317/step, 0.157602 hours remaining, 109.652344 MB of memory in use. ENERGY: 357200 658.6126 1867.9119 2036.6102 106.5798 -15.0377 -1070.1511 170.5358 0.0000 2752.1016 6507.1630 303.9773 3755.0614 6540.6289 300.7457 PRESSURE: 357300 0 0 0 0 0 0 0 0 0 GPRESSURE: 357300 0 0 0 0 0 0 0 0 0 PRESSAVG: 357300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357300 0 0 0 0 0 0 0 0 0 TIMING: 357300 CPU: 1423.84, 0.00398848/step Wall: 1423.84, 0.00398848/step, 0.158099 hours remaining, 109.652344 MB of memory in use. ENERGY: 357300 686.4387 1923.3589 1991.6948 111.7644 -15.2909 -1060.8370 182.4953 0.0000 2711.4873 6531.1115 299.4913 3819.6241 6562.8261 302.5535 PRESSURE: 357400 0 0 0 0 0 0 0 0 0 GPRESSURE: 357400 0 0 0 0 0 0 0 0 0 PRESSAVG: 357400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357400 0 0 0 0 0 0 0 0 0 TIMING: 357400 CPU: 1424.24, 0.00397297/step Wall: 1424.24, 0.00397297/step, 0.157374 hours remaining, 109.652344 MB of memory in use. ENERGY: 357400 630.8380 1878.4190 2030.7347 103.5228 -14.3774 -1037.3290 164.7092 0.0000 2743.8300 6500.3472 303.0637 3756.5172 6534.7001 300.8298 PRESSURE: 357500 0 0 0 0 0 0 0 0 0 GPRESSURE: 357500 0 0 0 0 0 0 0 0 0 PRESSAVG: 357500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357500 0 0 0 0 0 0 0 0 0 TIMING: 357500 CPU: 1424.63, 0.00397492/step Wall: 1424.63, 0.00397492/step, 0.157341 hours remaining, 109.652344 MB of memory in use. ENERGY: 357500 706.3172 1888.0801 2013.0068 99.3500 -14.9089 -1070.1794 166.7064 0.0000 2667.4728 6455.8450 294.6298 3788.3722 6488.9482 299.8718 PRESSURE: 357600 0 0 0 0 0 0 0 0 0 GPRESSURE: 357600 0 0 0 0 0 0 0 0 0 PRESSAVG: 357600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357600 0 0 0 0 0 0 0 0 0 TIMING: 357600 CPU: 1425.03, 0.00398482/step Wall: 1425.03, 0.00398482/step, 0.157622 hours remaining, 109.652344 MB of memory in use. ENERGY: 357600 642.8201 1865.1485 1991.0483 116.3511 -14.8044 -1036.4044 170.7279 0.0000 2729.7977 6464.6848 301.5138 3734.8870 6498.6041 298.1341 PRESSURE: 357700 0 0 0 0 0 0 0 0 0 GPRESSURE: 357700 0 0 0 0 0 0 0 0 0 PRESSAVG: 357700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357700 0 0 0 0 0 0 0 0 0 TIMING: 357700 CPU: 1425.43, 0.00397546/step Wall: 1425.43, 0.00397546/step, 0.157141 hours remaining, 109.652344 MB of memory in use. ENERGY: 357700 666.3493 1890.2368 2010.2444 98.3754 -14.1468 -1042.8426 159.0821 0.0000 2711.7682 6479.0669 299.5224 3767.2987 6510.5252 298.7251 PRESSURE: 357800 0 0 0 0 0 0 0 0 0 GPRESSURE: 357800 0 0 0 0 0 0 0 0 0 PRESSAVG: 357800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357800 0 0 0 0 0 0 0 0 0 TIMING: 357800 CPU: 1425.83, 0.00398674/step Wall: 1425.83, 0.00398674/step, 0.157476 hours remaining, 109.652344 MB of memory in use. ENERGY: 357800 623.9845 1891.4577 2026.7263 112.2287 -14.8081 -1074.3380 164.0199 0.0000 2759.5620 6488.8330 304.8013 3729.2710 6523.9850 300.2675 PRESSURE: 357900 0 0 0 0 0 0 0 0 0 GPRESSURE: 357900 0 0 0 0 0 0 0 0 0 PRESSAVG: 357900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 357900 0 0 0 0 0 0 0 0 0 TIMING: 357900 CPU: 1426.23, 0.00397236/step Wall: 1426.23, 0.00397236/step, 0.156798 hours remaining, 109.652344 MB of memory in use. ENERGY: 357900 638.4118 1891.9048 2034.1874 103.8920 -14.9920 -1042.5462 165.4781 0.0000 2721.4059 6497.7419 300.5869 3776.3360 6530.2926 299.7647 PRESSURE: 358000 0 0 0 0 0 0 0 0 0 GPRESSURE: 358000 0 0 0 0 0 0 0 0 0 PRESSAVG: 358000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358000 0 0 0 0 0 0 0 0 0 TIMING: 358000 CPU: 1426.62, 0.00397529/step Wall: 1426.62, 0.00397529/step, 0.156803 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 358000 646.2055 1882.0596 2027.3423 106.6548 -15.2278 -1053.4150 170.1330 0.0000 2737.5846 6501.3369 302.3738 3763.7523 6533.4645 300.6644 PRESSURE: 358100 0 0 0 0 0 0 0 0 0 GPRESSURE: 358100 0 0 0 0 0 0 0 0 0 PRESSAVG: 358100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358100 0 0 0 0 0 0 0 0 0 TIMING: 358100 CPU: 1427.02, 0.0039877/step Wall: 1427.02, 0.0039877/step, 0.157182 hours remaining, 109.652344 MB of memory in use. ENERGY: 358100 640.9112 1877.3544 2024.4168 110.8260 -13.8620 -1082.7289 170.0739 0.0000 2773.4905 6500.4818 306.3398 3726.9913 6534.3263 302.3143 PRESSURE: 358200 0 0 0 0 0 0 0 0 0 GPRESSURE: 358200 0 0 0 0 0 0 0 0 0 PRESSAVG: 358200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358200 0 0 0 0 0 0 0 0 0 TIMING: 358200 CPU: 1427.42, 0.00397414/step Wall: 1427.42, 0.00397414/step, 0.156537 hours remaining, 109.652344 MB of memory in use. ENERGY: 358200 620.3614 1893.0210 2026.4622 102.8387 -13.9929 -1022.4922 163.7497 0.0000 2694.3499 6464.2977 297.5984 3769.9479 6498.6003 299.6238 PRESSURE: 358300 0 0 0 0 0 0 0 0 0 GPRESSURE: 358300 0 0 0 0 0 0 0 0 0 PRESSAVG: 358300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358300 0 0 0 0 0 0 0 0 0 TIMING: 358300 CPU: 1427.82, 0.00398764/step Wall: 1427.82, 0.00398764/step, 0.156958 hours remaining, 109.652344 MB of memory in use. ENERGY: 358300 644.5895 1861.9749 2010.5966 116.5735 -13.9533 -1021.2697 165.3242 0.0000 2696.7287 6460.5645 297.8612 3763.8358 6493.2985 299.8632 PRESSURE: 358400 0 0 0 0 0 0 0 0 0 GPRESSURE: 358400 0 0 0 0 0 0 0 0 0 PRESSAVG: 358400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358400 0 0 0 0 0 0 0 0 0 TIMING: 358400 CPU: 1428.22, 0.00397574/step Wall: 1428.22, 0.00397574/step, 0.156379 hours remaining, 109.652344 MB of memory in use. ENERGY: 358400 664.3952 1885.7617 2015.0980 102.8598 -13.7212 -1030.6324 163.1232 0.0000 2631.2203 6418.1046 290.6256 3786.8843 6448.4994 296.8144 PRESSURE: 358500 0 0 0 0 0 0 0 0 0 GPRESSURE: 358500 0 0 0 0 0 0 0 0 0 PRESSAVG: 358500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358500 0 0 0 0 0 0 0 0 0 TIMING: 358500 CPU: 1428.61, 0.0039725/step Wall: 1428.61, 0.0039725/step, 0.156141 hours remaining, 109.652344 MB of memory in use. ENERGY: 358500 652.7137 1853.5227 2029.4620 119.2484 -14.6764 -1075.7102 173.8716 0.0000 2692.9655 6431.3974 297.4455 3738.4319 6464.5102 297.6953 PRESSURE: 358600 0 0 0 0 0 0 0 0 0 GPRESSURE: 358600 0 0 0 0 0 0 0 0 0 PRESSAVG: 358600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358600 0 0 0 0 0 0 0 0 0 TIMING: 358600 CPU: 1429.01, 0.00398695/step Wall: 1429.01, 0.00398695/step, 0.156599 hours remaining, 109.652344 MB of memory in use. ENERGY: 358600 634.9635 1868.3249 2031.8326 111.9324 -12.2126 -1030.0519 168.1144 0.0000 2655.9822 6428.8854 293.3606 3772.9033 6464.0247 295.1143 PRESSURE: 358700 0 0 0 0 0 0 0 0 0 GPRESSURE: 358700 0 0 0 0 0 0 0 0 0 PRESSAVG: 358700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358700 0 0 0 0 0 0 0 0 0 TIMING: 358700 CPU: 1429.41, 0.00397498/step Wall: 1429.41, 0.00397498/step, 0.156018 hours remaining, 109.652344 MB of memory in use. ENERGY: 358700 626.5695 1882.2797 2017.3463 110.8322 -14.0294 -1067.0183 171.7372 0.0000 2696.8107 6424.5279 297.8702 3727.7173 6456.3626 296.7199 PRESSURE: 358800 0 0 0 0 0 0 0 0 0 GPRESSURE: 358800 0 0 0 0 0 0 0 0 0 PRESSAVG: 358800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358800 0 0 0 0 0 0 0 0 0 TIMING: 358800 CPU: 1429.81, 0.00398765/step Wall: 1429.81, 0.00398765/step, 0.156405 hours remaining, 109.652344 MB of memory in use. ENERGY: 358800 628.0674 1885.2472 2043.0524 109.3630 -13.8890 -1067.6843 175.5300 0.0000 2676.6583 6436.3451 295.6444 3759.6868 6468.2764 295.8351 PRESSURE: 358900 0 0 0 0 0 0 0 0 0 GPRESSURE: 358900 0 0 0 0 0 0 0 0 0 PRESSAVG: 358900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 358900 0 0 0 0 0 0 0 0 0 TIMING: 358900 CPU: 1430.21, 0.00397139/step Wall: 1430.21, 0.00397139/step, 0.155656 hours remaining, 109.652344 MB of memory in use. ENERGY: 358900 628.5107 1885.2668 1994.0984 108.2331 -14.2817 -1055.5849 171.5830 0.0000 2768.2327 6486.0581 305.7590 3717.8254 6521.6238 299.5100 PRESSURE: 359000 0 0 0 0 0 0 0 0 0 GPRESSURE: 359000 0 0 0 0 0 0 0 0 0 PRESSAVG: 359000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359000 0 0 0 0 0 0 0 0 0 TIMING: 359000 CPU: 1430.6, 0.00397286/step Wall: 1430.6, 0.00397286/step, 0.155604 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 359000 664.2240 1873.2540 2020.4728 103.6640 -14.1658 -1053.0474 179.6928 0.0000 2735.4769 6509.5713 302.1410 3774.0943 6542.5153 298.9945 PRESSURE: 359100 0 0 0 0 0 0 0 0 0 GPRESSURE: 359100 0 0 0 0 0 0 0 0 0 PRESSAVG: 359100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359100 0 0 0 0 0 0 0 0 0 TIMING: 359100 CPU: 1431, 0.00400397/step Wall: 1431, 0.00400397/step, 0.156711 hours remaining, 109.652344 MB of memory in use. ENERGY: 359100 681.2158 1866.0524 2017.8825 107.8795 -14.9763 -1046.6642 156.4130 0.0000 2726.1324 6493.9352 301.1089 3767.8029 6526.9810 302.3872 PRESSURE: 359200 0 0 0 0 0 0 0 0 0 GPRESSURE: 359200 0 0 0 0 0 0 0 0 0 PRESSAVG: 359200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359200 0 0 0 0 0 0 0 0 0 TIMING: 359200 CPU: 1431.4, 0.00397431/step Wall: 1431.4, 0.00397431/step, 0.15544 hours remaining, 109.652344 MB of memory in use. ENERGY: 359200 650.4735 1884.5135 2038.7891 106.3842 -14.8979 -1032.2705 163.0904 0.0000 2685.8723 6481.9546 296.6621 3796.0822 6514.1113 300.4944 PRESSURE: 359300 0 0 0 0 0 0 0 0 0 GPRESSURE: 359300 0 0 0 0 0 0 0 0 0 PRESSAVG: 359300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359300 0 0 0 0 0 0 0 0 0 TIMING: 359300 CPU: 1431.8, 0.0039873/step Wall: 1431.8, 0.0039873/step, 0.155837 hours remaining, 109.652344 MB of memory in use. ENERGY: 359300 654.0293 1889.6216 2038.6830 102.9405 -13.1074 -1078.5492 173.3823 0.0000 2669.6713 6436.6714 294.8726 3767.0001 6470.3405 296.9658 PRESSURE: 359400 0 0 0 0 0 0 0 0 0 GPRESSURE: 359400 0 0 0 0 0 0 0 0 0 PRESSAVG: 359400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359400 0 0 0 0 0 0 0 0 0 TIMING: 359400 CPU: 1432.2, 0.00397394/step Wall: 1432.2, 0.00397394/step, 0.155205 hours remaining, 109.652344 MB of memory in use. ENERGY: 359400 663.1786 1904.2914 2012.2632 102.4995 -13.1794 -1043.0885 167.2267 0.0000 2667.6521 6460.8437 294.6496 3793.1915 6492.2458 298.1044 PRESSURE: 359500 0 0 0 0 0 0 0 0 0 GPRESSURE: 359500 0 0 0 0 0 0 0 0 0 PRESSAVG: 359500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359500 0 0 0 0 0 0 0 0 0 TIMING: 359500 CPU: 1432.59, 0.00397438/step Wall: 1432.59, 0.00397438/step, 0.155111 hours remaining, 109.652344 MB of memory in use. ENERGY: 359500 687.0568 1873.4847 2001.3110 114.8313 -13.5182 -1046.1050 155.0772 0.0000 2681.2281 6453.3659 296.1491 3772.1378 6486.1553 298.8958 PRESSURE: 359600 0 0 0 0 0 0 0 0 0 GPRESSURE: 359600 0 0 0 0 0 0 0 0 0 PRESSAVG: 359600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359600 0 0 0 0 0 0 0 0 0 TIMING: 359600 CPU: 1432.99, 0.00398612/step Wall: 1432.99, 0.00398612/step, 0.155459 hours remaining, 109.652344 MB of memory in use. ENERGY: 359600 657.9196 1826.7686 2021.0128 98.4815 -15.0339 -1044.4304 154.1747 0.0000 2722.2489 6421.1421 300.6800 3698.8931 6455.4152 297.9608 PRESSURE: 359700 0 0 0 0 0 0 0 0 0 GPRESSURE: 359700 0 0 0 0 0 0 0 0 0 PRESSAVG: 359700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359700 0 0 0 0 0 0 0 0 0 TIMING: 359700 CPU: 1433.39, 0.00397809/step Wall: 1433.39, 0.00397809/step, 0.155035 hours remaining, 109.652344 MB of memory in use. ENERGY: 359700 655.3439 1882.5750 2048.1896 104.5619 -14.9667 -1042.3515 162.7831 0.0000 2670.5526 6466.6879 294.9700 3796.1353 6499.3523 297.7913 PRESSURE: 359800 0 0 0 0 0 0 0 0 0 GPRESSURE: 359800 0 0 0 0 0 0 0 0 0 PRESSAVG: 359800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359800 0 0 0 0 0 0 0 0 0 TIMING: 359800 CPU: 1433.79, 0.00398781/step Wall: 1433.79, 0.0039878/step, 0.155303 hours remaining, 109.652344 MB of memory in use. ENERGY: 359800 637.9143 1883.3678 2028.8919 110.0306 -14.3390 -1054.3793 160.9290 0.0000 2702.2602 6454.6756 298.4722 3752.4153 6486.4722 299.3951 PRESSURE: 359900 0 0 0 0 0 0 0 0 0 GPRESSURE: 359900 0 0 0 0 0 0 0 0 0 PRESSAVG: 359900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 359900 0 0 0 0 0 0 0 0 0 TIMING: 359900 CPU: 1434.19, 0.00397197/step Wall: 1434.19, 0.00397198/step, 0.154576 hours remaining, 109.652344 MB of memory in use. ENERGY: 359900 650.8425 1842.1414 2042.8893 106.4666 -14.5903 -1102.2563 160.6845 0.0000 2748.8330 6435.0108 303.6163 3686.1777 6469.2427 298.7048 PRESSURE: 360000 0 0 0 0 0 0 0 0 0 GPRESSURE: 360000 0 0 0 0 0 0 0 0 0 PRESSAVG: 360000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360000 0 0 0 0 0 0 0 0 0 TIMING: 360000 CPU: 1434.58, 0.00397405/step Wall: 1434.58, 0.00397405/step, 0.154546 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 360000 657.1717 1814.4349 2015.0044 112.8744 -14.0312 -1062.9638 160.0597 0.0000 2709.5472 6392.0974 299.2770 3682.5502 6426.5269 297.3037 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 360000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 360000 WRITING COORDINATES TO RESTART FILE AT STEP 360000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 360000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 360100 0 0 0 0 0 0 0 0 0 GPRESSURE: 360100 0 0 0 0 0 0 0 0 0 PRESSAVG: 360100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360100 0 0 0 0 0 0 0 0 0 TIMING: 360100 CPU: 1435.02, 0.00436452/step Wall: 1435.02, 0.00436452/step, 0.16961 hours remaining, 109.652344 MB of memory in use. ENERGY: 360100 661.1847 1839.9758 2034.2067 97.5753 -14.5759 -1052.1369 159.4118 0.0000 2704.3900 6430.0315 298.7074 3725.6415 6462.4148 296.4421 PRESSURE: 360200 0 0 0 0 0 0 0 0 0 GPRESSURE: 360200 0 0 0 0 0 0 0 0 0 PRESSAVG: 360200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360200 0 0 0 0 0 0 0 0 0 TIMING: 360200 CPU: 1435.42, 0.003974/step Wall: 1435.42, 0.003974/step, 0.154324 hours remaining, 109.652344 MB of memory in use. ENERGY: 360200 658.4449 1858.4374 2029.0941 107.4959 -13.5899 -1036.8320 165.9478 0.0000 2670.5714 6439.5696 294.9720 3768.9982 6473.8975 297.3389 LDB: ============= START OF LOAD BALANCING ============== 1438.2 LDB: ============== END OF LOAD BALANCING =============== 1438.2 LDB: =============== DONE WITH MIGRATION ================ 1438.2 PRESSURE: 360300 0 0 0 0 0 0 0 0 0 GPRESSURE: 360300 0 0 0 0 0 0 0 0 0 PRESSAVG: 360300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360300 0 0 0 0 0 0 0 0 0 TIMING: 360300 CPU: 1435.82, 0.00400274/step Wall: 1435.82, 0.00400274/step, 0.155329 hours remaining, 109.652344 MB of memory in use. ENERGY: 360300 635.3384 1882.9653 2026.5165 102.3902 -14.0930 -1073.3982 177.4684 0.0000 2712.7263 6449.9139 299.6282 3737.1876 6483.8142 298.7662 LDB: ============= START OF LOAD BALANCING ============== 1438.59 LDB: ============== END OF LOAD BALANCING =============== 1438.59 LDB: =============== DONE WITH MIGRATION ================ 1438.59 PRESSURE: 360400 0 0 0 0 0 0 0 0 0 GPRESSURE: 360400 0 0 0 0 0 0 0 0 0 PRESSAVG: 360400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360400 0 0 0 0 0 0 0 0 0 TIMING: 360400 CPU: 1436.22, 0.00398/step Wall: 1436.22, 0.00398/step, 0.154336 hours remaining, 109.652344 MB of memory in use. ENERGY: 360400 642.2517 1920.3759 2028.2343 104.9972 -14.7496 -1058.6133 161.9419 0.0000 2692.8989 6477.3370 297.4382 3784.4381 6509.0356 299.4754 PRESSURE: 360500 0 0 0 0 0 0 0 0 0 GPRESSURE: 360500 0 0 0 0 0 0 0 0 0 PRESSAVG: 360500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360500 0 0 0 0 0 0 0 0 0 TIMING: 360500 CPU: 1436.61, 0.00397199/step Wall: 1436.61, 0.00397199/step, 0.153915 hours remaining, 109.652344 MB of memory in use. ENERGY: 360500 630.6365 1818.1619 2033.1973 105.8572 -14.5816 -1003.0526 160.4473 0.0000 2735.6839 6466.3500 302.1639 3730.6661 6499.6425 299.0542 PRESSURE: 360600 0 0 0 0 0 0 0 0 0 GPRESSURE: 360600 0 0 0 0 0 0 0 0 0 PRESSAVG: 360600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360600 0 0 0 0 0 0 0 0 0 TIMING: 360600 CPU: 1437.01, 0.00398247/step Wall: 1437.01, 0.00398247/step, 0.15421 hours remaining, 109.652344 MB of memory in use. ENERGY: 360600 624.4137 1849.6652 2053.5277 102.1303 -14.7922 -1028.1316 173.3008 0.0000 2698.5671 6458.6809 298.0643 3760.1138 6492.1255 298.0920 PRESSURE: 360700 0 0 0 0 0 0 0 0 0 GPRESSURE: 360700 0 0 0 0 0 0 0 0 0 PRESSAVG: 360700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360700 0 0 0 0 0 0 0 0 0 TIMING: 360700 CPU: 1437.41, 0.00397405/step Wall: 1437.41, 0.00397405/step, 0.153774 hours remaining, 109.652344 MB of memory in use. ENERGY: 360700 649.9437 1890.2252 2044.9341 105.1320 -14.4888 -1056.7785 157.1945 0.0000 2670.7944 6446.9565 294.9967 3776.1621 6480.4199 299.2447 PRESSURE: 360800 0 0 0 0 0 0 0 0 0 GPRESSURE: 360800 0 0 0 0 0 0 0 0 0 PRESSAVG: 360800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360800 0 0 0 0 0 0 0 0 0 TIMING: 360800 CPU: 1437.81, 0.00398794/step Wall: 1437.81, 0.00398794/step, 0.1542 hours remaining, 109.652344 MB of memory in use. ENERGY: 360800 660.7517 1887.8013 2016.7639 90.2010 -14.1325 -1079.4851 159.5650 0.0000 2726.6529 6448.1182 301.1664 3721.4654 6481.1960 298.2140 PRESSURE: 360900 0 0 0 0 0 0 0 0 0 GPRESSURE: 360900 0 0 0 0 0 0 0 0 0 PRESSAVG: 360900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 360900 0 0 0 0 0 0 0 0 0 TIMING: 360900 CPU: 1438.2, 0.00397302/step Wall: 1438.2, 0.00397302/step, 0.153513 hours remaining, 109.652344 MB of memory in use. ENERGY: 360900 690.6261 1876.9562 2001.3531 104.4887 -13.9643 -1045.5067 173.0304 0.0000 2691.8441 6478.8277 297.3217 3786.9836 6512.0250 298.6359 PRESSURE: 361000 0 0 0 0 0 0 0 0 0 GPRESSURE: 361000 0 0 0 0 0 0 0 0 0 PRESSAVG: 361000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361000 0 0 0 0 0 0 0 0 0 TIMING: 361000 CPU: 1438.6, 0.0039731/step Wall: 1438.6, 0.0039731/step, 0.153406 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 361000 643.8708 1847.6420 2047.1160 106.4507 -14.4316 -1045.4475 158.1102 0.0000 2746.3359 6489.6465 303.3405 3743.3105 6523.5933 299.6795 PRESSURE: 361100 0 0 0 0 0 0 0 0 0 GPRESSURE: 361100 0 0 0 0 0 0 0 0 0 PRESSAVG: 361100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361100 0 0 0 0 0 0 0 0 0 TIMING: 361100 CPU: 1439, 0.0039861/step Wall: 1439, 0.0039861/step, 0.153797 hours remaining, 109.652344 MB of memory in use. ENERGY: 361100 608.2147 1882.2171 2040.4061 111.4872 -13.7869 -1051.1729 160.6785 0.0000 2765.6608 6503.7045 305.4749 3738.0438 6537.7258 299.5857 PRESSURE: 361200 0 0 0 0 0 0 0 0 0 GPRESSURE: 361200 0 0 0 0 0 0 0 0 0 PRESSAVG: 361200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361200 0 0 0 0 0 0 0 0 0 TIMING: 361200 CPU: 1439.4, 0.00397045/step Wall: 1439.4, 0.00397045/step, 0.153083 hours remaining, 109.652344 MB of memory in use. ENERGY: 361200 655.2045 1931.3633 2028.1234 105.4757 -13.6676 -1063.2730 157.6531 0.0000 2695.6614 6496.5408 297.7433 3800.8794 6527.4176 300.3240 PRESSURE: 361300 0 0 0 0 0 0 0 0 0 GPRESSURE: 361300 0 0 0 0 0 0 0 0 0 PRESSAVG: 361300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361300 0 0 0 0 0 0 0 0 0 TIMING: 361300 CPU: 1439.8, 0.00398483/step Wall: 1439.8, 0.00398483/step, 0.153527 hours remaining, 109.652344 MB of memory in use. ENERGY: 361300 658.5882 1874.2463 2029.6569 104.1750 -14.0135 -1036.3205 160.8565 0.0000 2721.1242 6498.3130 300.5557 3777.1889 6530.6152 299.7811 PRESSURE: 361400 0 0 0 0 0 0 0 0 0 GPRESSURE: 361400 0 0 0 0 0 0 0 0 0 PRESSAVG: 361400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361400 0 0 0 0 0 0 0 0 0 TIMING: 361400 CPU: 1440.19, 0.00397115/step Wall: 1440.19, 0.00397114/step, 0.152889 hours remaining, 109.652344 MB of memory in use. ENERGY: 361400 678.7957 1884.8153 2054.8646 110.0791 -14.5511 -1044.1902 169.4344 0.0000 2670.1693 6509.4172 294.9276 3839.2478 6539.3845 300.5776 PRESSURE: 361500 0 0 0 0 0 0 0 0 0 GPRESSURE: 361500 0 0 0 0 0 0 0 0 0 PRESSAVG: 361500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361500 0 0 0 0 0 0 0 0 0 TIMING: 361500 CPU: 1440.59, 0.00397204/step Wall: 1440.59, 0.00397205/step, 0.152814 hours remaining, 109.652344 MB of memory in use. ENERGY: 361500 651.6859 1871.3856 2055.4779 104.7695 -14.7689 -1051.4179 156.8927 0.0000 2753.0166 6527.0414 304.0783 3774.0249 6562.0953 300.8738 PRESSURE: 361600 0 0 0 0 0 0 0 0 0 GPRESSURE: 361600 0 0 0 0 0 0 0 0 0 PRESSAVG: 361600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361600 0 0 0 0 0 0 0 0 0 TIMING: 361600 CPU: 1440.99, 0.00398364/step Wall: 1440.99, 0.00398364/step, 0.153149 hours remaining, 109.652344 MB of memory in use. ENERGY: 361600 652.9854 1907.3477 2033.6852 106.0358 -15.3404 -1050.0826 166.9328 0.0000 2713.2216 6514.7855 299.6829 3801.5640 6547.6423 301.6016 PRESSURE: 361700 0 0 0 0 0 0 0 0 0 GPRESSURE: 361700 0 0 0 0 0 0 0 0 0 PRESSAVG: 361700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361700 0 0 0 0 0 0 0 0 0 TIMING: 361700 CPU: 1441.39, 0.0039732/step Wall: 1441.39, 0.0039732/step, 0.152637 hours remaining, 109.652344 MB of memory in use. ENERGY: 361700 622.4750 1888.5151 2041.5891 111.4397 -13.8624 -1037.6375 178.8355 0.0000 2711.6858 6503.0402 299.5132 3791.3545 6537.9763 300.6028 PRESSURE: 361800 0 0 0 0 0 0 0 0 0 GPRESSURE: 361800 0 0 0 0 0 0 0 0 0 PRESSAVG: 361800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361800 0 0 0 0 0 0 0 0 0 TIMING: 361800 CPU: 1441.78, 0.00398382/step Wall: 1441.78, 0.00398382/step, 0.152934 hours remaining, 109.652344 MB of memory in use. ENERGY: 361800 635.3727 1846.9596 2051.3988 113.9941 -13.9464 -1041.7117 162.6142 0.0000 2757.8422 6512.5235 304.6114 3754.6813 6548.3378 300.2695 PRESSURE: 361900 0 0 0 0 0 0 0 0 0 GPRESSURE: 361900 0 0 0 0 0 0 0 0 0 PRESSAVG: 361900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 361900 0 0 0 0 0 0 0 0 0 TIMING: 361900 CPU: 1442.18, 0.00397189/step Wall: 1442.18, 0.00397189/step, 0.152366 hours remaining, 109.652344 MB of memory in use. ENERGY: 361900 627.4010 1962.8994 2033.7504 89.3816 -14.4792 -1028.5758 163.1404 0.0000 2691.3901 6524.9077 297.2715 3833.5176 6555.1361 301.5602 PRESSURE: 362000 0 0 0 0 0 0 0 0 0 GPRESSURE: 362000 0 0 0 0 0 0 0 0 0 PRESSAVG: 362000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362000 0 0 0 0 0 0 0 0 0 TIMING: 362000 CPU: 1442.58, 0.00397321/step Wall: 1442.58, 0.00397321/step, 0.152306 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 362000 643.0563 1912.1392 2028.4688 106.0769 -13.4092 -1070.3865 175.7279 0.0000 2708.8574 6490.5308 299.2008 3781.6734 6523.9568 300.9368 PRESSURE: 362100 0 0 0 0 0 0 0 0 0 GPRESSURE: 362100 0 0 0 0 0 0 0 0 0 PRESSAVG: 362100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362100 0 0 0 0 0 0 0 0 0 TIMING: 362100 CPU: 1442.98, 0.00398681/step Wall: 1442.98, 0.00398681/step, 0.152717 hours remaining, 109.652344 MB of memory in use. ENERGY: 362100 665.3360 1881.3111 2052.6749 113.5932 -13.8192 -1060.5725 159.7784 0.0000 2698.1457 6496.4476 298.0177 3798.3019 6527.7245 299.0140 PRESSURE: 362200 0 0 0 0 0 0 0 0 0 GPRESSURE: 362200 0 0 0 0 0 0 0 0 0 PRESSAVG: 362200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362200 0 0 0 0 0 0 0 0 0 TIMING: 362200 CPU: 1443.38, 0.00397327/step Wall: 1443.38, 0.00397327/step, 0.152088 hours remaining, 109.652344 MB of memory in use. ENERGY: 362200 636.6166 1864.6193 2057.8154 104.1172 -15.0942 -1047.8920 171.0528 0.0000 2698.4228 6469.6579 298.0483 3771.2351 6504.1266 299.0648 PRESSURE: 362300 0 0 0 0 0 0 0 0 0 GPRESSURE: 362300 0 0 0 0 0 0 0 0 0 PRESSAVG: 362300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362300 0 0 0 0 0 0 0 0 0 TIMING: 362300 CPU: 1443.77, 0.00398409/step Wall: 1443.77, 0.00398409/step, 0.152391 hours remaining, 109.652344 MB of memory in use. ENERGY: 362300 660.6462 1852.2492 2040.4585 105.4419 -14.5094 -1054.1340 165.5717 0.0000 2726.7084 6482.4325 301.1725 3755.7241 6515.4669 299.4515 PRESSURE: 362400 0 0 0 0 0 0 0 0 0 GPRESSURE: 362400 0 0 0 0 0 0 0 0 0 PRESSAVG: 362400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362400 0 0 0 0 0 0 0 0 0 TIMING: 362400 CPU: 1444.17, 0.00397226/step Wall: 1444.17, 0.00397226/step, 0.151829 hours remaining, 109.652344 MB of memory in use. ENERGY: 362400 659.9604 1859.0958 2048.8167 117.8912 -14.4042 -1063.6696 175.6103 0.0000 2672.9841 6456.2847 295.2385 3783.3006 6487.4236 297.5179 PRESSURE: 362500 0 0 0 0 0 0 0 0 0 GPRESSURE: 362500 0 0 0 0 0 0 0 0 0 PRESSAVG: 362500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362500 0 0 0 0 0 0 0 0 0 TIMING: 362500 CPU: 1444.57, 0.00397513/step Wall: 1444.57, 0.00397513/step, 0.151828 hours remaining, 109.652344 MB of memory in use. ENERGY: 362500 623.0263 1852.6353 2009.3134 102.9662 -13.9708 -1011.6403 154.6358 0.0000 2697.1561 6414.1221 297.9084 3716.9659 6446.4525 297.4670 PRESSURE: 362600 0 0 0 0 0 0 0 0 0 GPRESSURE: 362600 0 0 0 0 0 0 0 0 0 PRESSAVG: 362600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362600 0 0 0 0 0 0 0 0 0 TIMING: 362600 CPU: 1444.97, 0.00398579/step Wall: 1444.97, 0.00398579/step, 0.152124 hours remaining, 109.652344 MB of memory in use. ENERGY: 362600 650.2961 1844.6062 2029.6093 119.8157 -14.9663 -1032.9744 175.2246 0.0000 2618.2121 6389.8233 289.1888 3771.6112 6420.9843 293.5899 PRESSURE: 362700 0 0 0 0 0 0 0 0 0 GPRESSURE: 362700 0 0 0 0 0 0 0 0 0 PRESSAVG: 362700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362700 0 0 0 0 0 0 0 0 0 TIMING: 362700 CPU: 1445.36, 0.00397289/step Wall: 1445.36, 0.00397288/step, 0.151521 hours remaining, 109.652344 MB of memory in use. ENERGY: 362700 649.9220 1875.9761 2033.5650 105.6709 -14.4962 -1008.0222 136.0265 0.0000 2657.4161 6436.0581 293.5190 3778.6420 6468.0459 295.6121 PRESSURE: 362800 0 0 0 0 0 0 0 0 0 GPRESSURE: 362800 0 0 0 0 0 0 0 0 0 PRESSAVG: 362800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362800 0 0 0 0 0 0 0 0 0 TIMING: 362800 CPU: 1445.76, 0.00397083/step Wall: 1445.76, 0.00397084/step, 0.151333 hours remaining, 109.652344 MB of memory in use. ENERGY: 362800 648.0465 1902.0183 1986.6670 89.5420 -13.7741 -1064.1370 164.5616 0.0000 2696.2580 6409.1824 297.8092 3712.9244 6443.8515 295.4367 PRESSURE: 362900 0 0 0 0 0 0 0 0 0 GPRESSURE: 362900 0 0 0 0 0 0 0 0 0 PRESSAVG: 362900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 362900 0 0 0 0 0 0 0 0 0 TIMING: 362900 CPU: 1446.16, 0.00398487/step Wall: 1446.16, 0.00398487/step, 0.151757 hours remaining, 109.652344 MB of memory in use. ENERGY: 362900 664.3293 1861.9788 2015.2889 106.2766 -16.2534 -1057.2117 155.7102 0.0000 2738.5134 6468.6321 302.4764 3730.1187 6502.6970 297.6355 PRESSURE: 363000 0 0 0 0 0 0 0 0 0 GPRESSURE: 363000 0 0 0 0 0 0 0 0 0 PRESSAVG: 363000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363000 0 0 0 0 0 0 0 0 0 TIMING: 363000 CPU: 1446.56, 0.00397478/step Wall: 1446.56, 0.00397478/step, 0.151263 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 363000 645.8053 1874.8037 2026.8029 102.4625 -14.5526 -1023.8946 144.6405 0.0000 2732.4201 6488.4879 301.8034 3756.0678 6522.0553 299.4810 PRESSURE: 363100 0 0 0 0 0 0 0 0 0 GPRESSURE: 363100 0 0 0 0 0 0 0 0 0 PRESSAVG: 363100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363100 0 0 0 0 0 0 0 0 0 TIMING: 363100 CPU: 1446.96, 0.00398526/step Wall: 1446.96, 0.00398526/step, 0.151551 hours remaining, 109.652344 MB of memory in use. ENERGY: 363100 660.2079 1835.4968 2036.6087 118.4038 -14.9626 -1011.6636 158.7083 0.0000 2721.0602 6503.8594 300.5487 3782.7992 6539.2273 299.1886 PRESSURE: 363200 0 0 0 0 0 0 0 0 0 GPRESSURE: 363200 0 0 0 0 0 0 0 0 0 PRESSAVG: 363200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363200 0 0 0 0 0 0 0 0 0 TIMING: 363200 CPU: 1447.35, 0.00397314/step Wall: 1447.35, 0.00397314/step, 0.150979 hours remaining, 109.652344 MB of memory in use. ENERGY: 363200 641.8670 1907.1477 2029.3290 114.4541 -15.0967 -1056.6976 156.8321 0.0000 2736.4298 6514.2654 302.2463 3777.8356 6547.1178 299.2276 PRESSURE: 363300 0 0 0 0 0 0 0 0 0 GPRESSURE: 363300 0 0 0 0 0 0 0 0 0 PRESSAVG: 363300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363300 0 0 0 0 0 0 0 0 0 TIMING: 363300 CPU: 1447.75, 0.00397524/step Wall: 1447.75, 0.00397523/step, 0.150948 hours remaining, 109.652344 MB of memory in use. ENERGY: 363300 661.3379 1886.3195 2031.8372 110.3420 -15.0024 -1091.9635 158.0743 0.0000 2742.4844 6483.4293 302.9150 3740.9449 6519.1834 299.7357 PRESSURE: 363400 0 0 0 0 0 0 0 0 0 GPRESSURE: 363400 0 0 0 0 0 0 0 0 0 PRESSAVG: 363400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363400 0 0 0 0 0 0 0 0 0 TIMING: 363400 CPU: 1448.15, 0.00398515/step Wall: 1448.15, 0.00398516/step, 0.151215 hours remaining, 109.652344 MB of memory in use. ENERGY: 363400 681.1604 1913.3119 2031.2985 101.5538 -15.2189 -1040.4471 151.6829 0.0000 2679.8663 6503.2077 295.9987 3823.3415 6533.9470 300.1579 PRESSURE: 363500 0 0 0 0 0 0 0 0 0 GPRESSURE: 363500 0 0 0 0 0 0 0 0 0 PRESSAVG: 363500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363500 0 0 0 0 0 0 0 0 0 TIMING: 363500 CPU: 1448.55, 0.00397281/step Wall: 1448.55, 0.0039728/step, 0.150635 hours remaining, 109.652344 MB of memory in use. ENERGY: 363500 662.1059 1914.0754 2006.3399 110.0828 -15.4584 -1051.4466 166.0951 0.0000 2746.5504 6538.3444 303.3641 3791.7940 6573.6263 301.1733 PRESSURE: 363600 0 0 0 0 0 0 0 0 0 GPRESSURE: 363600 0 0 0 0 0 0 0 0 0 PRESSAVG: 363600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363600 0 0 0 0 0 0 0 0 0 TIMING: 363600 CPU: 1448.94, 0.00398269/step Wall: 1448.94, 0.00398269/step, 0.1509 hours remaining, 109.652344 MB of memory in use. ENERGY: 363600 660.9776 1920.7910 2024.1504 104.5334 -15.5110 -1085.6221 156.1703 0.0000 2757.2822 6522.7717 304.5495 3765.4895 6557.2135 301.7215 PRESSURE: 363700 0 0 0 0 0 0 0 0 0 GPRESSURE: 363700 0 0 0 0 0 0 0 0 0 PRESSAVG: 363700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363700 0 0 0 0 0 0 0 0 0 TIMING: 363700 CPU: 1449.34, 0.00397164/step Wall: 1449.34, 0.00397165/step, 0.150371 hours remaining, 109.652344 MB of memory in use. ENERGY: 363700 671.0083 1948.8452 2019.3651 108.8987 -13.9192 -1078.2486 167.3817 0.0000 2743.6595 6566.9908 303.0448 3823.3313 6598.7945 302.6313 PRESSURE: 363800 0 0 0 0 0 0 0 0 0 GPRESSURE: 363800 0 0 0 0 0 0 0 0 0 PRESSAVG: 363800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363800 0 0 0 0 0 0 0 0 0 TIMING: 363800 CPU: 1449.74, 0.0039723/step Wall: 1449.74, 0.0039723/step, 0.150285 hours remaining, 109.652344 MB of memory in use. ENERGY: 363800 673.1412 1939.9931 2034.6158 100.3660 -14.1502 -1053.9006 156.1033 0.0000 2750.5046 6586.6732 303.8009 3836.1687 6618.3571 305.2258 PRESSURE: 363900 0 0 0 0 0 0 0 0 0 GPRESSURE: 363900 0 0 0 0 0 0 0 0 0 PRESSAVG: 363900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 363900 0 0 0 0 0 0 0 0 0 TIMING: 363900 CPU: 1450.14, 0.00398508/step Wall: 1450.14, 0.00398508/step, 0.150658 hours remaining, 109.652344 MB of memory in use. ENERGY: 363900 676.9990 1933.5832 2024.9653 90.3790 -15.4235 -1046.3449 164.1239 0.0000 2753.7982 6582.0803 304.1647 3828.2821 6617.1512 305.6010 PRESSURE: 364000 0 0 0 0 0 0 0 0 0 GPRESSURE: 364000 0 0 0 0 0 0 0 0 0 PRESSAVG: 364000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364000 0 0 0 0 0 0 0 0 0 TIMING: 364000 CPU: 1450.53, 0.00397273/step Wall: 1450.53, 0.00397273/step, 0.150081 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 364000 648.2592 1904.5538 2035.3769 104.1545 -14.1401 -1033.8214 168.3634 0.0000 2761.6439 6574.3902 305.0313 3812.7463 6609.2860 304.4466 PRESSURE: 364100 0 0 0 0 0 0 0 0 0 GPRESSURE: 364100 0 0 0 0 0 0 0 0 0 PRESSAVG: 364100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364100 0 0 0 0 0 0 0 0 0 TIMING: 364100 CPU: 1450.93, 0.0039849/step Wall: 1450.93, 0.0039849/step, 0.15043 hours remaining, 109.652344 MB of memory in use. ENERGY: 364100 630.1134 1881.4381 2016.3985 101.4091 -15.1071 -994.6596 166.0342 0.0000 2780.6148 6566.2414 307.1267 3785.6266 6600.7094 304.2052 PRESSURE: 364200 0 0 0 0 0 0 0 0 0 GPRESSURE: 364200 0 0 0 0 0 0 0 0 0 PRESSAVG: 364200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364200 0 0 0 0 0 0 0 0 0 TIMING: 364200 CPU: 1451.33, 0.00397367/step Wall: 1451.33, 0.00397367/step, 0.149896 hours remaining, 109.652344 MB of memory in use. ENERGY: 364200 668.8115 1917.8201 2036.0110 101.7969 -14.0084 -1052.8990 162.9297 0.0000 2777.4485 6597.9103 306.7769 3820.4618 6631.0235 305.5944 LDB: ============= START OF LOAD BALANCING ============== 1454.11 LDB: ============== END OF LOAD BALANCING =============== 1454.11 LDB: =============== DONE WITH MIGRATION ================ 1454.11 PRESSURE: 364300 0 0 0 0 0 0 0 0 0 GPRESSURE: 364300 0 0 0 0 0 0 0 0 0 PRESSAVG: 364300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364300 0 0 0 0 0 0 0 0 0 TIMING: 364300 CPU: 1451.73, 0.00399458/step Wall: 1451.73, 0.00399458/step, 0.150573 hours remaining, 109.652344 MB of memory in use. ENERGY: 364300 667.5887 1942.0055 2048.5334 104.0166 -15.6706 -1017.7754 160.3808 0.0000 2704.8657 6593.9446 298.7599 3889.0790 6624.8210 306.6612 LDB: ============= START OF LOAD BALANCING ============== 1454.51 LDB: ============== END OF LOAD BALANCING =============== 1454.51 LDB: =============== DONE WITH MIGRATION ================ 1454.51 PRESSURE: 364400 0 0 0 0 0 0 0 0 0 GPRESSURE: 364400 0 0 0 0 0 0 0 0 0 PRESSAVG: 364400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364400 0 0 0 0 0 0 0 0 0 TIMING: 364400 CPU: 1452.13, 0.00399369/step Wall: 1452.13, 0.00399369/step, 0.150429 hours remaining, 109.652344 MB of memory in use. ENERGY: 364400 664.9215 1924.3575 2027.0744 103.7878 -14.1472 -1073.3079 154.4279 0.0000 2782.0088 6569.1227 307.2806 3787.1139 6607.0668 306.1574 PRESSURE: 364500 0 0 0 0 0 0 0 0 0 GPRESSURE: 364500 0 0 0 0 0 0 0 0 0 PRESSAVG: 364500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364500 0 0 0 0 0 0 0 0 0 TIMING: 364500 CPU: 1452.53, 0.00397745/step Wall: 1452.53, 0.00397745/step, 0.149707 hours remaining, 109.652344 MB of memory in use. ENERGY: 364500 629.2941 1916.4607 2048.8183 112.1386 -14.3124 -1022.2225 170.0837 0.0000 2749.4758 6589.7363 303.6873 3840.2604 6622.0395 303.4354 PRESSURE: 364600 0 0 0 0 0 0 0 0 0 GPRESSURE: 364600 0 0 0 0 0 0 0 0 0 PRESSAVG: 364600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364600 0 0 0 0 0 0 0 0 0 TIMING: 364600 CPU: 1452.93, 0.00398915/step Wall: 1452.93, 0.00398915/step, 0.150036 hours remaining, 109.652344 MB of memory in use. ENERGY: 364600 681.8061 1914.6631 2026.0503 109.5462 -13.7148 -1056.6216 168.3827 0.0000 2724.4952 6554.6073 300.9281 3830.1121 6586.5323 304.4743 PRESSURE: 364700 0 0 0 0 0 0 0 0 0 GPRESSURE: 364700 0 0 0 0 0 0 0 0 0 PRESSAVG: 364700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364700 0 0 0 0 0 0 0 0 0 TIMING: 364700 CPU: 1453.32, 0.00397705/step Wall: 1453.32, 0.00397705/step, 0.149471 hours remaining, 109.652344 MB of memory in use. ENERGY: 364700 670.7331 1944.3097 2042.4205 105.9511 -15.0014 -1083.4705 152.5477 0.0000 2714.4559 6531.9459 299.8192 3817.4900 6565.5863 301.8239 PRESSURE: 364800 0 0 0 0 0 0 0 0 0 GPRESSURE: 364800 0 0 0 0 0 0 0 0 0 PRESSAVG: 364800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364800 0 0 0 0 0 0 0 0 0 TIMING: 364800 CPU: 1453.72, 0.00397395/step Wall: 1453.72, 0.00397395/step, 0.149244 hours remaining, 109.652344 MB of memory in use. ENERGY: 364800 627.2438 1918.3534 2045.6483 107.2563 -13.5840 -1062.2176 170.0124 0.0000 2764.5197 6557.2323 305.3489 3792.7126 6593.7707 302.8093 PRESSURE: 364900 0 0 0 0 0 0 0 0 0 GPRESSURE: 364900 0 0 0 0 0 0 0 0 0 PRESSAVG: 364900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 364900 0 0 0 0 0 0 0 0 0 TIMING: 364900 CPU: 1454.12, 0.00398494/step Wall: 1454.12, 0.00398494/step, 0.149546 hours remaining, 109.652344 MB of memory in use. ENERGY: 364900 657.5381 1896.5128 2023.7499 120.9868 -14.3089 -1049.9302 156.2798 0.0000 2728.8473 6519.6757 301.4088 3790.8284 6554.5856 301.7613 PRESSURE: 365000 0 0 0 0 0 0 0 0 0 GPRESSURE: 365000 0 0 0 0 0 0 0 0 0 PRESSAVG: 365000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365000 0 0 0 0 0 0 0 0 0 TIMING: 365000 CPU: 1454.52, 0.00397236/step Wall: 1454.52, 0.00397236/step, 0.148964 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 365000 639.6947 1911.8828 2017.1271 110.3490 -14.4424 -1060.2080 159.8975 0.0000 2755.5909 6519.8917 304.3627 3764.3008 6551.9985 302.5077 PRESSURE: 365100 0 0 0 0 0 0 0 0 0 GPRESSURE: 365100 0 0 0 0 0 0 0 0 0 PRESSAVG: 365100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365100 0 0 0 0 0 0 0 0 0 TIMING: 365100 CPU: 1454.92, 0.00398661/step Wall: 1454.92, 0.00398661/step, 0.149387 hours remaining, 109.652344 MB of memory in use. ENERGY: 365100 617.4626 1885.6380 2035.6643 106.3457 -13.6004 -1046.1094 174.8110 0.0000 2745.2992 6505.5108 303.2259 3760.2116 6540.3777 300.6907 PRESSURE: 365200 0 0 0 0 0 0 0 0 0 GPRESSURE: 365200 0 0 0 0 0 0 0 0 0 PRESSAVG: 365200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365200 0 0 0 0 0 0 0 0 0 TIMING: 365200 CPU: 1455.31, 0.00397397/step Wall: 1455.31, 0.00397397/step, 0.148803 hours remaining, 109.652344 MB of memory in use. ENERGY: 365200 658.1652 1949.8813 2014.7701 97.2261 -14.8473 -1062.5881 160.4535 0.0000 2675.0222 6478.0830 295.4637 3803.0608 6510.0525 299.5798 PRESSURE: 365300 0 0 0 0 0 0 0 0 0 GPRESSURE: 365300 0 0 0 0 0 0 0 0 0 PRESSAVG: 365300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365300 0 0 0 0 0 0 0 0 0 TIMING: 365300 CPU: 1455.71, 0.00397244/step Wall: 1455.71, 0.00397244/step, 0.148635 hours remaining, 109.652344 MB of memory in use. ENERGY: 365300 670.4141 1891.2996 2023.9672 106.7381 -14.5309 -1035.7819 146.9283 0.0000 2640.1783 6429.2127 291.6150 3789.0345 6461.1133 298.7528 PRESSURE: 365400 0 0 0 0 0 0 0 0 0 GPRESSURE: 365400 0 0 0 0 0 0 0 0 0 PRESSAVG: 365400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365400 0 0 0 0 0 0 0 0 0 TIMING: 365400 CPU: 1456.11, 0.00398351/step Wall: 1456.11, 0.0039835/step, 0.148939 hours remaining, 109.652344 MB of memory in use. ENERGY: 365400 655.1919 1908.7069 2016.2167 108.1862 -13.6611 -1038.9949 159.6272 0.0000 2697.1820 6492.4549 297.9113 3795.2729 6525.9593 297.8724 PRESSURE: 365500 0 0 0 0 0 0 0 0 0 GPRESSURE: 365500 0 0 0 0 0 0 0 0 0 PRESSAVG: 365500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365500 0 0 0 0 0 0 0 0 0 TIMING: 365500 CPU: 1456.51, 0.00397328/step Wall: 1456.51, 0.00397329/step, 0.148447 hours remaining, 109.652344 MB of memory in use. ENERGY: 365500 646.7888 1872.4535 2053.2022 99.2827 -14.8762 -1021.2048 162.3071 0.0000 2682.6753 6480.6285 296.3090 3797.9533 6512.8901 299.6365 PRESSURE: 365600 0 0 0 0 0 0 0 0 0 GPRESSURE: 365600 0 0 0 0 0 0 0 0 0 PRESSAVG: 365600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365600 0 0 0 0 0 0 0 0 0 TIMING: 365600 CPU: 1456.9, 0.0039853/step Wall: 1456.9, 0.00398529/step, 0.148784 hours remaining, 109.652344 MB of memory in use. ENERGY: 365600 676.4570 1890.0017 2030.2815 115.5656 -15.1665 -1042.6065 162.3576 0.0000 2660.6198 6477.5101 293.8729 3816.8903 6510.0469 299.5074 PRESSURE: 365700 0 0 0 0 0 0 0 0 0 GPRESSURE: 365700 0 0 0 0 0 0 0 0 0 PRESSAVG: 365700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365700 0 0 0 0 0 0 0 0 0 TIMING: 365700 CPU: 1457.3, 0.00397318/step Wall: 1457.3, 0.00397319/step, 0.148222 hours remaining, 109.652344 MB of memory in use. ENERGY: 365700 632.8347 1862.2255 2012.3608 101.2372 -15.7793 -1032.5368 153.0308 0.0000 2705.0955 6418.4684 298.7853 3713.3729 6449.7514 297.4590 PRESSURE: 365800 0 0 0 0 0 0 0 0 0 GPRESSURE: 365800 0 0 0 0 0 0 0 0 0 PRESSAVG: 365800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365800 0 0 0 0 0 0 0 0 0 TIMING: 365800 CPU: 1457.7, 0.00397393/step Wall: 1457.7, 0.00397393/step, 0.148139 hours remaining, 109.652344 MB of memory in use. ENERGY: 365800 619.1881 1865.7826 2027.0256 106.6294 -14.3687 -1074.7604 172.1059 0.0000 2679.2738 6380.8764 295.9333 3701.6026 6414.1125 294.6724 PRESSURE: 365900 0 0 0 0 0 0 0 0 0 GPRESSURE: 365900 0 0 0 0 0 0 0 0 0 PRESSAVG: 365900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 365900 0 0 0 0 0 0 0 0 0 TIMING: 365900 CPU: 1458.1, 0.00398509/step Wall: 1458.1, 0.00398509/step, 0.148445 hours remaining, 109.652344 MB of memory in use. ENERGY: 365900 653.1004 1834.6090 2006.5787 109.1930 -14.3970 -1024.0630 162.8229 0.0000 2630.9240 6358.7680 290.5929 3727.8440 6391.4381 294.1613 PRESSURE: 366000 0 0 0 0 0 0 0 0 0 GPRESSURE: 366000 0 0 0 0 0 0 0 0 0 PRESSAVG: 366000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366000 0 0 0 0 0 0 0 0 0 TIMING: 366000 CPU: 1458.5, 0.00397362/step Wall: 1458.5, 0.00397362/step, 0.147907 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 366000 686.0402 1816.1177 2000.7590 93.9478 -13.7251 -1082.4652 176.2962 0.0000 2700.9684 6377.9389 298.3295 3676.9705 6412.3492 293.1312 PRESSURE: 366100 0 0 0 0 0 0 0 0 0 GPRESSURE: 366100 0 0 0 0 0 0 0 0 0 PRESSAVG: 366100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366100 0 0 0 0 0 0 0 0 0 TIMING: 366100 CPU: 1458.89, 0.00398659/step Wall: 1458.89, 0.00398659/step, 0.148279 hours remaining, 109.652344 MB of memory in use. ENERGY: 366100 658.4726 1844.2053 2049.0776 98.2715 -14.8976 -1034.2313 155.2323 0.0000 2631.4523 6387.5827 290.6512 3756.1305 6421.3568 292.9406 PRESSURE: 366200 0 0 0 0 0 0 0 0 0 GPRESSURE: 366200 0 0 0 0 0 0 0 0 0 PRESSAVG: 366200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366200 0 0 0 0 0 0 0 0 0 TIMING: 366200 CPU: 1459.29, 0.00397374/step Wall: 1459.29, 0.00397374/step, 0.147691 hours remaining, 109.652344 MB of memory in use. ENERGY: 366200 684.7710 1858.6243 2010.3084 112.0466 -14.5845 -1041.5971 161.0314 0.0000 2667.9436 6438.5434 294.6818 3770.5999 6473.1039 295.6105 PRESSURE: 366300 0 0 0 0 0 0 0 0 0 GPRESSURE: 366300 0 0 0 0 0 0 0 0 0 PRESSAVG: 366300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366300 0 0 0 0 0 0 0 0 0 TIMING: 366300 CPU: 1459.69, 0.00397338/step Wall: 1459.69, 0.00397338/step, 0.147567 hours remaining, 109.652344 MB of memory in use. ENERGY: 366300 652.7296 1908.5134 2036.6463 106.6551 -14.5298 -1035.6539 152.2578 0.0000 2648.5298 6455.1484 292.5375 3806.6185 6485.9456 297.0260 PRESSURE: 366400 0 0 0 0 0 0 0 0 0 GPRESSURE: 366400 0 0 0 0 0 0 0 0 0 PRESSAVG: 366400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366400 0 0 0 0 0 0 0 0 0 TIMING: 366400 CPU: 1460.09, 0.0039847/step Wall: 1460.09, 0.0039847/step, 0.147877 hours remaining, 109.652344 MB of memory in use. ENERGY: 366400 659.1673 1913.5954 1989.4480 112.1309 -15.1902 -1023.9232 169.9904 0.0000 2667.9435 6473.1621 294.6818 3805.2186 6505.1011 298.1769 PRESSURE: 366500 0 0 0 0 0 0 0 0 0 GPRESSURE: 366500 0 0 0 0 0 0 0 0 0 PRESSAVG: 366500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366500 0 0 0 0 0 0 0 0 0 TIMING: 366500 CPU: 1460.48, 0.00397334/step Wall: 1460.48, 0.00397334/step, 0.147345 hours remaining, 109.652344 MB of memory in use. ENERGY: 366500 642.2963 1878.3981 2015.4802 109.3933 -14.4048 -1037.1327 184.0152 0.0000 2686.9485 6464.9941 296.7809 3778.0457 6497.5081 299.3912 PRESSURE: 366600 0 0 0 0 0 0 0 0 0 GPRESSURE: 366600 0 0 0 0 0 0 0 0 0 PRESSAVG: 366600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366600 0 0 0 0 0 0 0 0 0 TIMING: 366600 CPU: 1460.88, 0.00398728/step Wall: 1460.88, 0.00398728/step, 0.147751 hours remaining, 109.652344 MB of memory in use. ENERGY: 366600 659.9490 1812.1734 2036.9975 100.3785 -14.6528 -1029.0264 153.0813 0.0000 2692.0113 6410.9117 297.3401 3718.9004 6440.1728 297.9073 PRESSURE: 366700 0 0 0 0 0 0 0 0 0 GPRESSURE: 366700 0 0 0 0 0 0 0 0 0 PRESSAVG: 366700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366700 0 0 0 0 0 0 0 0 0 TIMING: 366700 CPU: 1461.28, 0.00397742/step Wall: 1461.28, 0.00397742/step, 0.147275 hours remaining, 109.652344 MB of memory in use. ENERGY: 366700 620.7146 1913.2289 2000.2545 100.1140 -13.5180 -1087.7523 173.9170 0.0000 2659.8012 6366.7600 293.7825 3706.9588 6400.6356 294.2352 PRESSURE: 366800 0 0 0 0 0 0 0 0 0 GPRESSURE: 366800 0 0 0 0 0 0 0 0 0 PRESSAVG: 366800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366800 0 0 0 0 0 0 0 0 0 TIMING: 366800 CPU: 1461.68, 0.00397287/step Wall: 1461.68, 0.00397287/step, 0.146996 hours remaining, 109.652344 MB of memory in use. ENERGY: 366800 648.1401 1867.0140 2017.0654 108.5372 -14.3342 -1034.2520 150.5674 0.0000 2645.2946 6388.0327 292.1802 3742.7380 6420.0709 294.7159 PRESSURE: 366900 0 0 0 0 0 0 0 0 0 GPRESSURE: 366900 0 0 0 0 0 0 0 0 0 PRESSAVG: 366900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 366900 0 0 0 0 0 0 0 0 0 TIMING: 366900 CPU: 1462.08, 0.00398501/step Wall: 1462.08, 0.00398501/step, 0.147335 hours remaining, 109.652344 MB of memory in use. ENERGY: 366900 673.4851 1853.1078 1997.4538 97.8707 -13.6953 -1070.1580 168.2176 0.0000 2692.8169 6399.0987 297.4291 3706.2818 6431.5892 294.0967 PRESSURE: 367000 0 0 0 0 0 0 0 0 0 GPRESSURE: 367000 0 0 0 0 0 0 0 0 0 PRESSAVG: 367000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367000 0 0 0 0 0 0 0 0 0 TIMING: 367000 CPU: 1462.47, 0.00397405/step Wall: 1462.47, 0.00397405/step, 0.146819 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 367000 642.8864 1859.0759 2002.0105 106.5542 -16.0555 -1032.4283 144.6403 0.0000 2704.1959 6410.8793 298.6860 3706.6834 6444.7280 296.4481 PRESSURE: 367100 0 0 0 0 0 0 0 0 0 GPRESSURE: 367100 0 0 0 0 0 0 0 0 0 PRESSAVG: 367100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367100 0 0 0 0 0 0 0 0 0 TIMING: 367100 CPU: 1462.87, 0.00398459/step Wall: 1462.87, 0.00398459/step, 0.147098 hours remaining, 109.652344 MB of memory in use. ENERGY: 367100 667.3842 1846.0944 2020.1928 98.8621 -14.9520 -1037.2181 171.9492 0.0000 2696.0439 6448.3564 297.7856 3752.3126 6480.6756 298.0856 PRESSURE: 367200 0 0 0 0 0 0 0 0 0 GPRESSURE: 367200 0 0 0 0 0 0 0 0 0 PRESSAVG: 367200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367200 0 0 0 0 0 0 0 0 0 TIMING: 367200 CPU: 1463.27, 0.00397316/step Wall: 1463.27, 0.00397316/step, 0.146566 hours remaining, 109.652344 MB of memory in use. ENERGY: 367200 670.8588 1834.6556 1994.4287 102.5784 -14.6149 -1023.5532 161.1741 0.0000 2698.1076 6423.6351 298.0135 3725.5275 6457.5156 297.6501 PRESSURE: 367300 0 0 0 0 0 0 0 0 0 GPRESSURE: 367300 0 0 0 0 0 0 0 0 0 PRESSAVG: 367300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367300 0 0 0 0 0 0 0 0 0 TIMING: 367300 CPU: 1463.67, 0.00397162/step Wall: 1463.67, 0.00397162/step, 0.146398 hours remaining, 109.652344 MB of memory in use. ENERGY: 367300 628.9465 1897.0445 1991.7515 95.4678 -14.1505 -1036.1689 150.3511 0.0000 2730.3310 6443.5730 301.5727 3713.2420 6476.9142 298.6458 PRESSURE: 367400 0 0 0 0 0 0 0 0 0 GPRESSURE: 367400 0 0 0 0 0 0 0 0 0 PRESSAVG: 367400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367400 0 0 0 0 0 0 0 0 0 TIMING: 367400 CPU: 1464.07, 0.00398324/step Wall: 1464.07, 0.00398324/step, 0.146716 hours remaining, 109.652344 MB of memory in use. ENERGY: 367400 645.4663 1869.4575 2008.9198 102.1648 -14.8194 -1070.4734 158.8671 0.0000 2766.9478 6466.5306 305.6171 3699.5828 6503.5515 300.2203 PRESSURE: 367500 0 0 0 0 0 0 0 0 0 GPRESSURE: 367500 0 0 0 0 0 0 0 0 0 PRESSAVG: 367500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367500 0 0 0 0 0 0 0 0 0 TIMING: 367500 CPU: 1464.46, 0.00397462/step Wall: 1464.46, 0.00397462/step, 0.146288 hours remaining, 109.652344 MB of memory in use. ENERGY: 367500 648.8020 1906.0712 1993.4719 102.9947 -15.2975 -1031.9376 153.4307 0.0000 2729.8897 6487.4252 301.5239 3757.5355 6523.0182 299.6784 PRESSURE: 367600 0 0 0 0 0 0 0 0 0 GPRESSURE: 367600 0 0 0 0 0 0 0 0 0 PRESSAVG: 367600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367600 0 0 0 0 0 0 0 0 0 TIMING: 367600 CPU: 1464.86, 0.00398344/step Wall: 1464.86, 0.00398344/step, 0.146502 hours remaining, 109.652344 MB of memory in use. ENERGY: 367600 642.0001 1938.4776 2000.8310 101.2733 -14.3206 -1032.9931 161.6756 0.0000 2728.8082 6525.7521 301.4045 3796.9439 6557.0008 301.8953 PRESSURE: 367700 0 0 0 0 0 0 0 0 0 GPRESSURE: 367700 0 0 0 0 0 0 0 0 0 PRESSAVG: 367700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367700 0 0 0 0 0 0 0 0 0 TIMING: 367700 CPU: 1465.26, 0.00397299/step Wall: 1465.26, 0.00397299/step, 0.146007 hours remaining, 109.652344 MB of memory in use. ENERGY: 367700 636.4075 1927.3788 1979.2538 112.1556 -14.5457 -1008.1531 149.6427 0.0000 2736.3374 6518.4770 302.2361 3782.1396 6551.7024 302.0888 PRESSURE: 367800 0 0 0 0 0 0 0 0 0 GPRESSURE: 367800 0 0 0 0 0 0 0 0 0 PRESSAVG: 367800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367800 0 0 0 0 0 0 0 0 0 TIMING: 367800 CPU: 1465.66, 0.00397398/step Wall: 1465.66, 0.00397398/step, 0.145933 hours remaining, 109.652344 MB of memory in use. ENERGY: 367800 644.0050 1957.4294 2000.8849 98.0220 -14.9141 -1077.2703 167.5208 0.0000 2716.5205 6492.1982 300.0473 3775.6778 6524.1121 301.8447 PRESSURE: 367900 0 0 0 0 0 0 0 0 0 GPRESSURE: 367900 0 0 0 0 0 0 0 0 0 PRESSAVG: 367900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 367900 0 0 0 0 0 0 0 0 0 TIMING: 367900 CPU: 1466.05, 0.00397909/step Wall: 1466.05, 0.00397909/step, 0.14601 hours remaining, 109.652344 MB of memory in use. ENERGY: 367900 639.4362 1870.9150 2018.3446 103.2924 -14.7509 -1038.7683 166.1847 0.0000 2725.7782 6470.4319 301.0698 3744.6537 6502.9148 299.7630 PRESSURE: 368000 0 0 0 0 0 0 0 0 0 GPRESSURE: 368000 0 0 0 0 0 0 0 0 0 PRESSAVG: 368000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368000 0 0 0 0 0 0 0 0 0 TIMING: 368000 CPU: 1466.45, 0.003972/step Wall: 1466.45, 0.003972/step, 0.14564 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 368000 642.9783 1862.3734 1996.1811 120.8485 -13.9711 -1051.0512 168.3813 0.0000 2717.8177 6443.5580 300.1905 3725.7404 6478.1450 298.4432 PRESSURE: 368100 0 0 0 0 0 0 0 0 0 GPRESSURE: 368100 0 0 0 0 0 0 0 0 0 PRESSAVG: 368100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368100 0 0 0 0 0 0 0 0 0 TIMING: 368100 CPU: 1466.85, 0.0039823/step Wall: 1466.85, 0.0039823/step, 0.145907 hours remaining, 109.652344 MB of memory in use. ENERGY: 368100 667.1756 1843.7562 2004.9962 102.7751 -15.1053 -1068.1770 157.1564 0.0000 2742.3400 6434.9172 302.8991 3692.5773 6468.2831 297.9021 PRESSURE: 368200 0 0 0 0 0 0 0 0 0 GPRESSURE: 368200 0 0 0 0 0 0 0 0 0 PRESSAVG: 368200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368200 0 0 0 0 0 0 0 0 0 TIMING: 368200 CPU: 1467.25, 0.00397307/step Wall: 1467.25, 0.00397307/step, 0.145459 hours remaining, 109.652344 MB of memory in use. ENERGY: 368200 647.8942 1870.3052 1989.8392 98.6558 -13.2700 -1029.6572 170.4665 0.0000 2696.1968 6430.4305 297.8024 3734.2337 6461.1216 296.3547 LDB: ============= START OF LOAD BALANCING ============== 1470.02 LDB: ============== END OF LOAD BALANCING =============== 1470.02 LDB: =============== DONE WITH MIGRATION ================ 1470.02 PRESSURE: 368300 0 0 0 0 0 0 0 0 0 GPRESSURE: 368300 0 0 0 0 0 0 0 0 0 PRESSAVG: 368300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368300 0 0 0 0 0 0 0 0 0 TIMING: 368300 CPU: 1467.64, 0.00397496/step Wall: 1467.64, 0.00397496/step, 0.145417 hours remaining, 109.652344 MB of memory in use. ENERGY: 368300 647.8855 1886.3066 2009.3980 108.8133 -15.5137 -1042.3047 153.0778 0.0000 2690.6270 6438.2896 297.1872 3747.6627 6471.8580 297.2350 LDB: ============= START OF LOAD BALANCING ============== 1470.42 LDB: ============== END OF LOAD BALANCING =============== 1470.42 LDB: =============== DONE WITH MIGRATION ================ 1470.42 PRESSURE: 368400 0 0 0 0 0 0 0 0 0 GPRESSURE: 368400 0 0 0 0 0 0 0 0 0 PRESSAVG: 368400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368400 0 0 0 0 0 0 0 0 0 TIMING: 368400 CPU: 1468.04, 0.00399194/step Wall: 1468.04, 0.00399194/step, 0.145928 hours remaining, 109.652344 MB of memory in use. ENERGY: 368400 668.5696 1927.4641 2022.7061 103.5575 -14.7489 -1066.4975 172.1215 0.0000 2666.5619 6479.7343 294.5292 3813.1724 6512.4549 298.5698 PRESSURE: 368500 0 0 0 0 0 0 0 0 0 GPRESSURE: 368500 0 0 0 0 0 0 0 0 0 PRESSAVG: 368500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368500 0 0 0 0 0 0 0 0 0 TIMING: 368500 CPU: 1468.44, 0.00397277/step Wall: 1468.44, 0.00397277/step, 0.145116 hours remaining, 109.652344 MB of memory in use. ENERGY: 368500 629.6157 1912.2512 1997.1683 113.7978 -13.5867 -1043.7602 154.8129 0.0000 2714.2189 6464.5180 299.7930 3750.2991 6498.6673 298.9392 PRESSURE: 368600 0 0 0 0 0 0 0 0 0 GPRESSURE: 368600 0 0 0 0 0 0 0 0 0 PRESSAVG: 368600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368600 0 0 0 0 0 0 0 0 0 TIMING: 368600 CPU: 1468.84, 0.00397951/step Wall: 1468.84, 0.00397951/step, 0.145252 hours remaining, 109.652344 MB of memory in use. ENERGY: 368600 687.7100 1889.5616 2009.0663 93.9032 -14.9219 -1055.0792 160.3667 0.0000 2731.3769 6501.9836 301.6882 3770.6067 6531.5869 300.6310 PRESSURE: 368700 0 0 0 0 0 0 0 0 0 GPRESSURE: 368700 0 0 0 0 0 0 0 0 0 PRESSAVG: 368700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368700 0 0 0 0 0 0 0 0 0 TIMING: 368700 CPU: 1469.24, 0.00397118/step Wall: 1469.24, 0.00397118/step, 0.144838 hours remaining, 109.652344 MB of memory in use. ENERGY: 368700 674.7535 1874.4900 2007.2576 117.9517 -15.4548 -1060.0544 149.1947 0.0000 2702.5084 6450.6469 298.4996 3748.1385 6485.3830 299.3221 PRESSURE: 368800 0 0 0 0 0 0 0 0 0 GPRESSURE: 368800 0 0 0 0 0 0 0 0 0 PRESSAVG: 368800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368800 0 0 0 0 0 0 0 0 0 TIMING: 368800 CPU: 1469.63, 0.00397403/step Wall: 1469.63, 0.00397403/step, 0.144831 hours remaining, 109.652344 MB of memory in use. ENERGY: 368800 635.4039 1883.1970 2033.5312 101.6841 -13.9873 -1052.3332 160.0979 0.0000 2684.5793 6432.1730 296.5193 3747.5936 6466.1931 297.5822 PRESSURE: 368900 0 0 0 0 0 0 0 0 0 GPRESSURE: 368900 0 0 0 0 0 0 0 0 0 PRESSAVG: 368900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 368900 0 0 0 0 0 0 0 0 0 TIMING: 368900 CPU: 1470.03, 0.00398086/step Wall: 1470.03, 0.00398086/step, 0.14497 hours remaining, 109.652344 MB of memory in use. ENERGY: 368900 652.1281 1906.1065 2015.9922 105.0875 -15.0999 -1079.9374 154.7133 0.0000 2696.4675 6435.4579 297.8323 3738.9904 6467.7362 296.5757 PRESSURE: 369000 0 0 0 0 0 0 0 0 0 GPRESSURE: 369000 0 0 0 0 0 0 0 0 0 PRESSAVG: 369000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369000 0 0 0 0 0 0 0 0 0 TIMING: 369000 CPU: 1470.43, 0.00397315/step Wall: 1470.43, 0.00397315/step, 0.144579 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 369000 684.2876 1910.8296 2001.5317 107.6063 -15.3256 -1057.6879 159.2560 0.0000 2659.2839 6449.7817 293.7253 3790.4977 6480.6458 297.9554 PRESSURE: 369100 0 0 0 0 0 0 0 0 0 GPRESSURE: 369100 0 0 0 0 0 0 0 0 0 PRESSAVG: 369100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369100 0 0 0 0 0 0 0 0 0 TIMING: 369100 CPU: 1470.83, 0.00398631/step Wall: 1470.83, 0.00398631/step, 0.144947 hours remaining, 109.652344 MB of memory in use. ENERGY: 369100 628.5790 1893.1610 2018.4496 103.0471 -14.1729 -1012.8117 151.8403 0.0000 2665.9996 6434.0920 294.4671 3768.0924 6466.4200 298.6331 PRESSURE: 369200 0 0 0 0 0 0 0 0 0 GPRESSURE: 369200 0 0 0 0 0 0 0 0 0 PRESSAVG: 369200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369200 0 0 0 0 0 0 0 0 0 TIMING: 369200 CPU: 1471.22, 0.00397219/step Wall: 1471.22, 0.00397219/step, 0.144323 hours remaining, 109.652344 MB of memory in use. ENERGY: 369200 632.2823 1871.9898 2007.6390 94.8569 -13.5857 -1034.8006 160.6710 0.0000 2714.5293 6433.5822 299.8273 3719.0528 6466.0002 297.0244 PRESSURE: 369300 0 0 0 0 0 0 0 0 0 GPRESSURE: 369300 0 0 0 0 0 0 0 0 0 PRESSAVG: 369300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369300 0 0 0 0 0 0 0 0 0 TIMING: 369300 CPU: 1471.62, 0.0039744/step Wall: 1471.62, 0.0039744/step, 0.144293 hours remaining, 109.652344 MB of memory in use. ENERGY: 369300 640.6280 1875.5906 2042.8534 114.9019 -13.1626 -1022.5533 154.8999 0.0000 2657.6051 6450.7632 293.5399 3793.1581 6481.7603 298.0651 PRESSURE: 369400 0 0 0 0 0 0 0 0 0 GPRESSURE: 369400 0 0 0 0 0 0 0 0 0 PRESSAVG: 369400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369400 0 0 0 0 0 0 0 0 0 TIMING: 369400 CPU: 1472.02, 0.00397965/step Wall: 1472.02, 0.00397965/step, 0.144373 hours remaining, 109.652344 MB of memory in use. ENERGY: 369400 648.9920 1905.6449 2002.8146 108.2039 -16.0084 -1055.7390 165.5712 0.0000 2678.6872 6438.1663 295.8685 3759.4791 6472.1757 297.1411 PRESSURE: 369500 0 0 0 0 0 0 0 0 0 GPRESSURE: 369500 0 0 0 0 0 0 0 0 0 PRESSAVG: 369500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369500 0 0 0 0 0 0 0 0 0 TIMING: 369500 CPU: 1472.42, 0.0039916/step Wall: 1472.42, 0.0039916/step, 0.144695 hours remaining, 109.652344 MB of memory in use. ENERGY: 369500 666.6792 1838.0801 2012.7670 108.0936 -14.3259 -1019.4574 159.2905 0.0000 2711.2919 6462.4190 299.4697 3751.1271 6495.7262 298.4841 PRESSURE: 369600 0 0 0 0 0 0 0 0 0 GPRESSURE: 369600 0 0 0 0 0 0 0 0 0 PRESSAVG: 369600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369600 0 0 0 0 0 0 0 0 0 TIMING: 369600 CPU: 1472.82, 0.00397477/step Wall: 1472.82, 0.00397477/step, 0.143975 hours remaining, 109.652344 MB of memory in use. ENERGY: 369600 653.9388 1908.0933 2004.2362 95.4455 -14.0943 -1066.8669 153.5392 0.0000 2727.1624 6461.4542 301.2227 3734.2918 6493.1432 298.9509 PRESSURE: 369700 0 0 0 0 0 0 0 0 0 GPRESSURE: 369700 0 0 0 0 0 0 0 0 0 PRESSAVG: 369700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369700 0 0 0 0 0 0 0 0 0 TIMING: 369700 CPU: 1473.21, 0.00397382/step Wall: 1473.21, 0.00397382/step, 0.14383 hours remaining, 109.652344 MB of memory in use. ENERGY: 369700 633.8676 1878.9837 2028.3052 102.1738 -14.3152 -1048.0285 177.7560 0.0000 2747.9074 6506.6500 303.5140 3758.7426 6541.0268 300.4574 PRESSURE: 369800 0 0 0 0 0 0 0 0 0 GPRESSURE: 369800 0 0 0 0 0 0 0 0 0 PRESSAVG: 369800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369800 0 0 0 0 0 0 0 0 0 TIMING: 369800 CPU: 1473.61, 0.00398564/step Wall: 1473.61, 0.00398564/step, 0.144147 hours remaining, 109.652344 MB of memory in use. ENERGY: 369800 666.1259 1898.5983 2038.0060 106.2634 -14.3006 -1056.1944 160.3417 0.0000 2689.2527 6488.0930 297.0355 3798.8403 6520.1744 300.0956 PRESSURE: 369900 0 0 0 0 0 0 0 0 0 GPRESSURE: 369900 0 0 0 0 0 0 0 0 0 PRESSAVG: 369900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 369900 0 0 0 0 0 0 0 0 0 TIMING: 369900 CPU: 1474.01, 0.00397444/step Wall: 1474.01, 0.00397444/step, 0.143632 hours remaining, 109.652344 MB of memory in use. ENERGY: 369900 664.0280 1884.8558 2024.4440 108.4065 -13.6473 -1081.4674 169.6488 0.0000 2722.5240 6478.7925 300.7104 3756.2686 6513.7333 299.2708 PRESSURE: 370000 0 0 0 0 0 0 0 0 0 GPRESSURE: 370000 0 0 0 0 0 0 0 0 0 PRESSAVG: 370000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370000 0 0 0 0 0 0 0 0 0 TIMING: 370000 CPU: 1474.41, 0.00399105/step Wall: 1474.41, 0.00399105/step, 0.144121 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 370000 643.3276 1877.0520 1997.0904 105.8829 -15.3908 -1017.4069 178.0914 0.0000 2691.4271 6460.0735 297.2756 3768.6465 6492.2341 297.9861 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 370000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 370000 WRITING COORDINATES TO RESTART FILE AT STEP 370000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 370000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 370100 0 0 0 0 0 0 0 0 0 GPRESSURE: 370100 0 0 0 0 0 0 0 0 0 PRESSAVG: 370100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370100 0 0 0 0 0 0 0 0 0 TIMING: 370100 CPU: 1474.85, 0.00442051/step Wall: 1474.85, 0.00442051/step, 0.159507 hours remaining, 109.652344 MB of memory in use. ENERGY: 370100 640.8100 1888.7928 1987.6789 115.0343 -15.0227 -1038.9056 178.5758 0.0000 2695.5759 6452.5394 297.7339 3756.9635 6488.0061 298.7969 PRESSURE: 370200 0 0 0 0 0 0 0 0 0 GPRESSURE: 370200 0 0 0 0 0 0 0 0 0 PRESSAVG: 370200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370200 0 0 0 0 0 0 0 0 0 TIMING: 370200 CPU: 1475.25, 0.00397856/step Wall: 1475.25, 0.00397856/step, 0.143449 hours remaining, 109.652344 MB of memory in use. ENERGY: 370200 644.2950 1851.0485 2001.6008 94.5167 -14.1898 -1087.1113 158.4027 0.0000 2731.8647 6380.4272 301.7421 3648.5626 6414.4430 296.8037 PRESSURE: 370300 0 0 0 0 0 0 0 0 0 GPRESSURE: 370300 0 0 0 0 0 0 0 0 0 PRESSAVG: 370300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370300 0 0 0 0 0 0 0 0 0 TIMING: 370300 CPU: 1475.65, 0.00398458/step Wall: 1475.65, 0.00398458/step, 0.143556 hours remaining, 109.652344 MB of memory in use. ENERGY: 370300 653.2830 1833.7425 2030.9565 97.6159 -15.0554 -1043.0549 145.2319 0.0000 2675.7103 6378.4299 295.5397 3702.7196 6411.7244 295.3974 PRESSURE: 370400 0 0 0 0 0 0 0 0 0 GPRESSURE: 370400 0 0 0 0 0 0 0 0 0 PRESSAVG: 370400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370400 0 0 0 0 0 0 0 0 0 TIMING: 370400 CPU: 1476.04, 0.00397363/step Wall: 1476.04, 0.00397362/step, 0.14305 hours remaining, 109.652344 MB of memory in use. ENERGY: 370400 665.0060 1848.9084 2029.4656 101.5926 -14.3366 -1073.7602 180.0754 0.0000 2637.1217 6374.0728 291.2774 3736.9511 6408.1575 294.9873 PRESSURE: 370500 0 0 0 0 0 0 0 0 0 GPRESSURE: 370500 0 0 0 0 0 0 0 0 0 PRESSAVG: 370500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370500 0 0 0 0 0 0 0 0 0 TIMING: 370500 CPU: 1476.44, 0.00398506/step Wall: 1476.44, 0.00398507/step, 0.143352 hours remaining, 109.652344 MB of memory in use. ENERGY: 370500 655.2367 1902.2185 1989.0593 98.0885 -14.3452 -1047.4159 155.2815 0.0000 2679.4051 6417.5285 295.9478 3738.1234 6450.6179 294.2112 PRESSURE: 370600 0 0 0 0 0 0 0 0 0 GPRESSURE: 370600 0 0 0 0 0 0 0 0 0 PRESSAVG: 370600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370600 0 0 0 0 0 0 0 0 0 TIMING: 370600 CPU: 1476.84, 0.00397297/step Wall: 1476.84, 0.00397297/step, 0.142806 hours remaining, 109.652344 MB of memory in use. ENERGY: 370600 647.2833 1889.6393 2008.4661 100.8186 -14.1787 -1050.6660 161.8103 0.0000 2670.8542 6414.0271 295.0033 3743.1728 6448.9793 295.8131 PRESSURE: 370700 0 0 0 0 0 0 0 0 0 GPRESSURE: 370700 0 0 0 0 0 0 0 0 0 PRESSAVG: 370700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370700 0 0 0 0 0 0 0 0 0 TIMING: 370700 CPU: 1477.24, 0.00397331/step Wall: 1477.24, 0.00397331/step, 0.142708 hours remaining, 109.652344 MB of memory in use. ENERGY: 370700 644.2336 1915.6312 1986.6722 103.4954 -15.2439 -1081.6676 162.1678 0.0000 2691.0627 6406.3513 297.2354 3715.2886 6439.7304 296.6518 PRESSURE: 370800 0 0 0 0 0 0 0 0 0 GPRESSURE: 370800 0 0 0 0 0 0 0 0 0 PRESSAVG: 370800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370800 0 0 0 0 0 0 0 0 0 TIMING: 370800 CPU: 1477.64, 0.00398847/step Wall: 1477.64, 0.00398847/step, 0.143142 hours remaining, 109.652344 MB of memory in use. ENERGY: 370800 623.6503 1882.1359 2031.3322 102.2600 -14.6914 -1061.1892 166.3093 0.0000 2680.3143 6410.1215 296.0482 3729.8072 6442.2581 296.7024 PRESSURE: 370900 0 0 0 0 0 0 0 0 0 GPRESSURE: 370900 0 0 0 0 0 0 0 0 0 PRESSAVG: 370900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 370900 0 0 0 0 0 0 0 0 0 TIMING: 370900 CPU: 1478.03, 0.00397272/step Wall: 1478.03, 0.00397272/step, 0.142466 hours remaining, 109.652344 MB of memory in use. ENERGY: 370900 699.1881 1876.7397 1990.6237 110.8153 -15.1553 -1068.4581 166.1010 0.0000 2664.1181 6423.9724 294.2593 3759.8543 6456.8113 297.2472 PRESSURE: 371000 0 0 0 0 0 0 0 0 0 GPRESSURE: 371000 0 0 0 0 0 0 0 0 0 PRESSAVG: 371000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371000 0 0 0 0 0 0 0 0 0 TIMING: 371000 CPU: 1478.43, 0.00398772/step Wall: 1478.43, 0.00398772/step, 0.142893 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 371000 631.2537 1887.6827 2000.7037 90.6180 -15.0118 -1053.6543 171.2459 0.0000 2699.2488 6412.0867 298.1395 3712.8379 6445.8886 297.1297 PRESSURE: 371100 0 0 0 0 0 0 0 0 0 GPRESSURE: 371100 0 0 0 0 0 0 0 0 0 PRESSAVG: 371100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371100 0 0 0 0 0 0 0 0 0 TIMING: 371100 CPU: 1478.83, 0.00397552/step Wall: 1478.83, 0.00397552/step, 0.142346 hours remaining, 109.652344 MB of memory in use. ENERGY: 371100 660.2854 1921.1939 2002.2696 105.5223 -15.0053 -1075.1321 170.9762 0.0000 2670.1856 6440.2956 294.9294 3770.1100 6470.7807 297.3456 PRESSURE: 371200 0 0 0 0 0 0 0 0 0 GPRESSURE: 371200 0 0 0 0 0 0 0 0 0 PRESSAVG: 371200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371200 0 0 0 0 0 0 0 0 0 TIMING: 371200 CPU: 1479.23, 0.00397278/step Wall: 1479.23, 0.00397278/step, 0.142137 hours remaining, 109.652344 MB of memory in use. ENERGY: 371200 680.4736 1906.0173 2019.1399 108.5387 -14.9100 -1046.9619 158.5728 0.0000 2648.1892 6459.0595 292.4999 3810.8703 6489.2263 297.4515 PRESSURE: 371300 0 0 0 0 0 0 0 0 0 GPRESSURE: 371300 0 0 0 0 0 0 0 0 0 PRESSAVG: 371300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371300 0 0 0 0 0 0 0 0 0 TIMING: 371300 CPU: 1479.63, 0.00398753/step Wall: 1479.63, 0.00398753/step, 0.142554 hours remaining, 109.652344 MB of memory in use. ENERGY: 371300 674.8548 1863.4043 1996.6174 105.2945 -14.9171 -1061.0816 167.8057 0.0000 2684.3062 6416.2842 296.4891 3731.9780 6446.9719 296.7148 PRESSURE: 371400 0 0 0 0 0 0 0 0 0 GPRESSURE: 371400 0 0 0 0 0 0 0 0 0 PRESSAVG: 371400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371400 0 0 0 0 0 0 0 0 0 TIMING: 371400 CPU: 1480.02, 0.00397281/step Wall: 1480.02, 0.00397281/step, 0.141918 hours remaining, 109.652344 MB of memory in use. ENERGY: 371400 632.1774 1896.0800 1994.0023 107.9457 -14.6503 -1071.5949 160.7978 0.0000 2726.5688 6431.3268 301.1571 3704.7580 6464.9240 297.7861 PRESSURE: 371500 0 0 0 0 0 0 0 0 0 GPRESSURE: 371500 0 0 0 0 0 0 0 0 0 PRESSAVG: 371500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371500 0 0 0 0 0 0 0 0 0 TIMING: 371500 CPU: 1480.42, 0.00398637/step Wall: 1480.42, 0.00398636/step, 0.142291 hours remaining, 109.652344 MB of memory in use. ENERGY: 371500 606.7440 1914.6567 2021.1549 113.2840 -14.9286 -1082.4574 177.1101 0.0000 2692.4918 6428.0554 297.3932 3735.5636 6459.8188 297.1167 PRESSURE: 371600 0 0 0 0 0 0 0 0 0 GPRESSURE: 371600 0 0 0 0 0 0 0 0 0 PRESSAVG: 371600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371600 0 0 0 0 0 0 0 0 0 TIMING: 371600 CPU: 1480.82, 0.00397258/step Wall: 1480.82, 0.00397259/step, 0.141689 hours remaining, 109.652344 MB of memory in use. ENERGY: 371600 636.3721 1877.7882 1978.3018 94.6982 -14.6626 -1047.9028 171.7356 0.0000 2713.8055 6410.1360 299.7474 3696.3305 6442.1868 295.2553 PRESSURE: 371700 0 0 0 0 0 0 0 0 0 GPRESSURE: 371700 0 0 0 0 0 0 0 0 0 PRESSAVG: 371700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371700 0 0 0 0 0 0 0 0 0 TIMING: 371700 CPU: 1481.22, 0.00397524/step Wall: 1481.22, 0.00397524/step, 0.141673 hours remaining, 109.652344 MB of memory in use. ENERGY: 371700 651.2195 1850.2568 2011.2153 105.5760 -14.3519 -1031.9230 172.2801 0.0000 2687.0172 6431.2901 296.7885 3744.2729 6463.9632 298.4648 PRESSURE: 371800 0 0 0 0 0 0 0 0 0 GPRESSURE: 371800 0 0 0 0 0 0 0 0 0 PRESSAVG: 371800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371800 0 0 0 0 0 0 0 0 0 TIMING: 371800 CPU: 1481.62, 0.00399102/step Wall: 1481.62, 0.00399102/step, 0.142125 hours remaining, 109.652344 MB of memory in use. ENERGY: 371800 632.9432 1844.7690 2000.6679 103.2286 -15.0535 -1049.5101 187.4029 0.0000 2745.5358 6449.9839 303.2521 3704.4481 6482.2109 297.8510 PRESSURE: 371900 0 0 0 0 0 0 0 0 0 GPRESSURE: 371900 0 0 0 0 0 0 0 0 0 PRESSAVG: 371900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 371900 0 0 0 0 0 0 0 0 0 TIMING: 371900 CPU: 1482.01, 0.00397172/step Wall: 1482.01, 0.00397172/step, 0.141327 hours remaining, 109.652344 MB of memory in use. ENERGY: 371900 661.3038 1926.0793 2002.6008 108.0558 -14.6973 -1085.5208 165.4853 0.0000 2692.2103 6455.5172 297.3621 3763.3068 6486.8755 297.6349 PRESSURE: 372000 0 0 0 0 0 0 0 0 0 GPRESSURE: 372000 0 0 0 0 0 0 0 0 0 PRESSAVG: 372000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372000 0 0 0 0 0 0 0 0 0 TIMING: 372000 CPU: 1482.41, 0.00398695/step Wall: 1482.41, 0.00398695/step, 0.141758 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 372000 637.0773 1845.2600 2029.6162 101.3663 -14.7520 -1044.8635 168.3471 0.0000 2775.4700 6497.5214 306.5584 3722.0514 6530.3199 300.2658 PRESSURE: 372100 0 0 0 0 0 0 0 0 0 GPRESSURE: 372100 0 0 0 0 0 0 0 0 0 PRESSAVG: 372100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372100 0 0 0 0 0 0 0 0 0 TIMING: 372100 CPU: 1482.81, 0.00397209/step Wall: 1482.81, 0.00397209/step, 0.14112 hours remaining, 109.652344 MB of memory in use. ENERGY: 372100 679.7268 1880.9550 2015.6334 107.7723 -14.1573 -1017.4235 176.6039 0.0000 2666.9656 6496.0761 294.5738 3829.1105 6523.9363 300.7472 PRESSURE: 372200 0 0 0 0 0 0 0 0 0 GPRESSURE: 372200 0 0 0 0 0 0 0 0 0 PRESSAVG: 372200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372200 0 0 0 0 0 0 0 0 0 TIMING: 372200 CPU: 1483.21, 0.00396955/step Wall: 1483.21, 0.00396955/step, 0.140919 hours remaining, 109.652344 MB of memory in use. ENERGY: 372200 666.5661 1882.9937 2025.4617 98.4773 -15.0948 -1055.2285 165.0139 0.0000 2693.0850 6461.2745 297.4587 3768.1895 6492.9416 298.8329 LDB: ============= START OF LOAD BALANCING ============== 1485.98 LDB: ============== END OF LOAD BALANCING =============== 1485.98 LDB: =============== DONE WITH MIGRATION ================ 1485.98 PRESSURE: 372300 0 0 0 0 0 0 0 0 0 GPRESSURE: 372300 0 0 0 0 0 0 0 0 0 PRESSAVG: 372300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372300 0 0 0 0 0 0 0 0 0 TIMING: 372300 CPU: 1483.6, 0.00398639/step Wall: 1483.6, 0.00398639/step, 0.141406 hours remaining, 109.652344 MB of memory in use. ENERGY: 372300 649.3266 1869.3397 2032.2172 105.4177 -14.9808 -1049.4589 170.8408 0.0000 2735.2671 6497.9695 302.1179 3762.7024 6530.3145 298.6853 LDB: ============= START OF LOAD BALANCING ============== 1486.38 LDB: ============== END OF LOAD BALANCING =============== 1486.38 LDB: =============== DONE WITH MIGRATION ================ 1486.38 PRESSURE: 372400 0 0 0 0 0 0 0 0 0 GPRESSURE: 372400 0 0 0 0 0 0 0 0 0 PRESSAVG: 372400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372400 0 0 0 0 0 0 0 0 0 TIMING: 372400 CPU: 1484, 0.00397712/step Wall: 1484, 0.00397712/step, 0.140967 hours remaining, 109.652344 MB of memory in use. ENERGY: 372400 672.1676 1902.3213 2009.2668 106.6804 -14.5725 -1063.7821 179.1875 0.0000 2715.9432 6507.2122 299.9835 3791.2690 6539.6784 301.4473 PRESSURE: 372500 0 0 0 0 0 0 0 0 0 GPRESSURE: 372500 0 0 0 0 0 0 0 0 0 PRESSAVG: 372500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372500 0 0 0 0 0 0 0 0 0 TIMING: 372500 CPU: 1484.4, 0.00398572/step Wall: 1484.4, 0.00398572/step, 0.141161 hours remaining, 109.652344 MB of memory in use. ENERGY: 372500 640.3340 1891.0847 2039.3126 103.7107 -14.6807 -1066.0252 170.6737 0.0000 2720.9278 6485.3375 300.5341 3764.4097 6519.6291 300.4269 PRESSURE: 372600 0 0 0 0 0 0 0 0 0 GPRESSURE: 372600 0 0 0 0 0 0 0 0 0 PRESSAVG: 372600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372600 0 0 0 0 0 0 0 0 0 TIMING: 372600 CPU: 1484.8, 0.00397205/step Wall: 1484.8, 0.00397205/step, 0.140566 hours remaining, 109.652344 MB of memory in use. ENERGY: 372600 658.0391 1864.8974 2026.1705 93.7108 -14.5975 -1025.6220 153.5554 0.0000 2742.1634 6498.3171 302.8796 3756.1537 6532.7228 300.2284 PRESSURE: 372700 0 0 0 0 0 0 0 0 0 GPRESSURE: 372700 0 0 0 0 0 0 0 0 0 PRESSAVG: 372700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372700 0 0 0 0 0 0 0 0 0 TIMING: 372700 CPU: 1485.2, 0.00397062/step Wall: 1485.2, 0.00397062/step, 0.140406 hours remaining, 109.652344 MB of memory in use. ENERGY: 372700 608.9056 1894.3383 2022.4866 105.3384 -14.7468 -1048.2978 163.4000 0.0000 2787.2530 6518.6773 307.8599 3731.4243 6551.1799 302.7609 PRESSURE: 372800 0 0 0 0 0 0 0 0 0 GPRESSURE: 372800 0 0 0 0 0 0 0 0 0 PRESSAVG: 372800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372800 0 0 0 0 0 0 0 0 0 TIMING: 372800 CPU: 1485.59, 0.00398421/step Wall: 1485.59, 0.00398421/step, 0.140775 hours remaining, 109.652344 MB of memory in use. ENERGY: 372800 658.9507 1928.8782 2001.9024 109.3048 -15.3586 -1058.6116 157.1720 0.0000 2738.2601 6520.4981 302.4485 3782.2380 6549.0211 303.4747 PRESSURE: 372900 0 0 0 0 0 0 0 0 0 GPRESSURE: 372900 0 0 0 0 0 0 0 0 0 PRESSAVG: 372900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 372900 0 0 0 0 0 0 0 0 0 TIMING: 372900 CPU: 1485.99, 0.00397285/step Wall: 1485.99, 0.00397285/step, 0.140264 hours remaining, 109.652344 MB of memory in use. ENERGY: 372900 662.4993 1897.6789 2020.1075 103.4393 -15.0413 -1073.7644 171.9730 0.0000 2697.5042 6464.3965 297.9468 3766.8923 6497.9036 299.1238 PRESSURE: 373000 0 0 0 0 0 0 0 0 0 GPRESSURE: 373000 0 0 0 0 0 0 0 0 0 PRESSAVG: 373000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373000 0 0 0 0 0 0 0 0 0 TIMING: 373000 CPU: 1486.39, 0.00398639/step Wall: 1486.39, 0.00398639/step, 0.140631 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 373000 635.6141 1858.3071 2023.0511 102.9408 -14.7781 -1064.0549 158.4052 0.0000 2731.8080 6431.2933 301.7358 3699.4853 6464.3835 297.6481 PRESSURE: 373100 0 0 0 0 0 0 0 0 0 GPRESSURE: 373100 0 0 0 0 0 0 0 0 0 PRESSAVG: 373100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373100 0 0 0 0 0 0 0 0 0 TIMING: 373100 CPU: 1486.79, 0.00397031/step Wall: 1486.79, 0.00397031/step, 0.139953 hours remaining, 109.652344 MB of memory in use. ENERGY: 373100 629.3351 1917.4737 2016.1794 94.4919 -14.2114 -1092.3695 148.7237 0.0000 2673.1781 6372.8010 295.2600 3699.6229 6407.5666 295.4425 PRESSURE: 373200 0 0 0 0 0 0 0 0 0 GPRESSURE: 373200 0 0 0 0 0 0 0 0 0 PRESSAVG: 373200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373200 0 0 0 0 0 0 0 0 0 TIMING: 373200 CPU: 1487.18, 0.00396893/step Wall: 1487.18, 0.00396893/step, 0.139795 hours remaining, 109.652344 MB of memory in use. ENERGY: 373200 644.0514 1899.8600 2029.9545 96.8378 -15.0527 -1054.2091 146.0922 0.0000 2625.8706 6373.4048 290.0347 3747.5341 6404.7581 293.8865 PRESSURE: 373300 0 0 0 0 0 0 0 0 0 GPRESSURE: 373300 0 0 0 0 0 0 0 0 0 PRESSAVG: 373300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373300 0 0 0 0 0 0 0 0 0 TIMING: 373300 CPU: 1487.58, 0.00398528/step Wall: 1487.58, 0.00398528/step, 0.14026 hours remaining, 109.652344 MB of memory in use. ENERGY: 373300 632.9590 1853.6150 1998.1804 96.4442 -15.1994 -1037.0636 161.0679 0.0000 2705.7560 6395.7595 298.8583 3690.0035 6427.6990 293.9260 PRESSURE: 373400 0 0 0 0 0 0 0 0 0 GPRESSURE: 373400 0 0 0 0 0 0 0 0 0 PRESSAVG: 373400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373400 0 0 0 0 0 0 0 0 0 TIMING: 373400 CPU: 1487.98, 0.00397119/step Wall: 1487.98, 0.00397119/step, 0.139654 hours remaining, 109.652344 MB of memory in use. ENERGY: 373400 668.8840 1842.4761 1985.2503 116.1886 -14.7616 -1041.5337 163.3191 0.0000 2632.5799 6352.4027 290.7758 3719.8228 6383.8486 295.0059 PRESSURE: 373500 0 0 0 0 0 0 0 0 0 GPRESSURE: 373500 0 0 0 0 0 0 0 0 0 PRESSAVG: 373500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373500 0 0 0 0 0 0 0 0 0 TIMING: 373500 CPU: 1488.38, 0.00398137/step Wall: 1488.38, 0.00398137/step, 0.139901 hours remaining, 109.652344 MB of memory in use. ENERGY: 373500 632.3693 1868.2101 2001.8406 99.7240 -14.7399 -1041.8617 162.0403 0.0000 2656.2719 6363.8547 293.3926 3707.5828 6395.2325 292.7374 PRESSURE: 373600 0 0 0 0 0 0 0 0 0 GPRESSURE: 373600 0 0 0 0 0 0 0 0 0 PRESSAVG: 373600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373600 0 0 0 0 0 0 0 0 0 TIMING: 373600 CPU: 1488.77, 0.00397418/step Wall: 1488.77, 0.00397418/step, 0.139538 hours remaining, 109.652344 MB of memory in use. ENERGY: 373600 688.7747 1903.3241 2009.4693 106.6821 -14.7872 -1069.8876 154.9401 0.0000 2648.3881 6426.9036 292.5218 3778.5155 6456.1037 295.0901 PRESSURE: 373700 0 0 0 0 0 0 0 0 0 GPRESSURE: 373700 0 0 0 0 0 0 0 0 0 PRESSAVG: 373700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373700 0 0 0 0 0 0 0 0 0 TIMING: 373700 CPU: 1489.17, 0.00396975/step Wall: 1489.17, 0.00396974/step, 0.139272 hours remaining, 109.652344 MB of memory in use. ENERGY: 373700 656.1936 1864.0788 2039.6133 107.9099 -14.9183 -1094.4966 172.6178 0.0000 2697.0795 6428.0781 297.8999 3730.9986 6461.4522 297.2610 PRESSURE: 373800 0 0 0 0 0 0 0 0 0 GPRESSURE: 373800 0 0 0 0 0 0 0 0 0 PRESSAVG: 373800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373800 0 0 0 0 0 0 0 0 0 TIMING: 373800 CPU: 1489.57, 0.00398376/step Wall: 1489.57, 0.00398377/step, 0.139653 hours remaining, 109.652344 MB of memory in use. ENERGY: 373800 652.5187 1861.7411 2010.7690 100.3589 -14.5707 -1035.5498 161.1823 0.0000 2679.6588 6416.1082 295.9758 3736.4495 6448.8756 296.4516 PRESSURE: 373900 0 0 0 0 0 0 0 0 0 GPRESSURE: 373900 0 0 0 0 0 0 0 0 0 PRESSAVG: 373900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 373900 0 0 0 0 0 0 0 0 0 TIMING: 373900 CPU: 1489.97, 0.00397001/step Wall: 1489.97, 0.00397001/step, 0.139061 hours remaining, 109.652344 MB of memory in use. ENERGY: 373900 626.6631 1911.6275 1996.5031 100.0228 -15.2719 -1054.7646 152.5328 0.0000 2708.9431 6426.2559 299.2103 3717.3128 6459.1475 296.8951 PRESSURE: 374000 0 0 0 0 0 0 0 0 0 GPRESSURE: 374000 0 0 0 0 0 0 0 0 0 PRESSAVG: 374000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374000 0 0 0 0 0 0 0 0 0 TIMING: 374000 CPU: 1490.36, 0.00397932/step Wall: 1490.36, 0.00397932/step, 0.139276 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 374000 641.5189 1879.8134 2002.6207 104.2536 -14.4833 -1062.0214 154.4281 0.0000 2690.5956 6396.7256 297.1838 3706.1300 6431.2386 297.1218 PRESSURE: 374100 0 0 0 0 0 0 0 0 0 GPRESSURE: 374100 0 0 0 0 0 0 0 0 0 PRESSAVG: 374100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374100 0 0 0 0 0 0 0 0 0 TIMING: 374100 CPU: 1490.76, 0.00397059/step Wall: 1490.76, 0.00397059/step, 0.13886 hours remaining, 109.652344 MB of memory in use. ENERGY: 374100 663.3517 1870.4427 1997.0643 101.6898 -14.1669 -1048.0565 154.4191 0.0000 2735.9589 6460.7030 302.1943 3724.7441 6490.8743 297.4648 PRESSURE: 374200 0 0 0 0 0 0 0 0 0 GPRESSURE: 374200 0 0 0 0 0 0 0 0 0 PRESSAVG: 374200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374200 0 0 0 0 0 0 0 0 0 TIMING: 374200 CPU: 1491.16, 0.00396987/step Wall: 1491.16, 0.00396987/step, 0.138725 hours remaining, 109.652344 MB of memory in use. ENERGY: 374200 646.4031 1881.5631 2030.6292 112.5445 -14.3390 -1038.7448 152.5197 0.0000 2705.1218 6475.6977 298.7882 3770.5758 6508.1284 300.8838 PRESSURE: 374300 0 0 0 0 0 0 0 0 0 GPRESSURE: 374300 0 0 0 0 0 0 0 0 0 PRESSAVG: 374300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374300 0 0 0 0 0 0 0 0 0 TIMING: 374300 CPU: 1491.56, 0.00398309/step Wall: 1491.56, 0.00398309/step, 0.139076 hours remaining, 109.652344 MB of memory in use. ENERGY: 374300 678.5155 1843.2607 2037.2441 110.5789 -14.8856 -1077.9835 161.9023 0.0000 2735.2921 6473.9243 302.1206 3738.6322 6507.0577 299.8386 PRESSURE: 374400 0 0 0 0 0 0 0 0 0 GPRESSURE: 374400 0 0 0 0 0 0 0 0 0 PRESSAVG: 374400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374400 0 0 0 0 0 0 0 0 0 TIMING: 374400 CPU: 1491.95, 0.00397176/step Wall: 1491.95, 0.00397176/step, 0.13857 hours remaining, 109.652344 MB of memory in use. ENERGY: 374400 669.1612 1878.2318 2019.7337 96.3363 -15.0685 -1045.7409 164.1207 0.0000 2696.4640 6463.2383 297.8320 3766.7744 6495.4987 300.2293 PRESSURE: 374500 0 0 0 0 0 0 0 0 0 GPRESSURE: 374500 0 0 0 0 0 0 0 0 0 PRESSAVG: 374500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374500 0 0 0 0 0 0 0 0 0 TIMING: 374500 CPU: 1492.35, 0.0039797/step Wall: 1492.35, 0.0039797/step, 0.138737 hours remaining, 109.652344 MB of memory in use. ENERGY: 374500 642.7108 1845.7085 2037.4541 102.4082 -14.8686 -1066.3023 156.8414 0.0000 2700.0517 6404.0039 298.2282 3703.9522 6436.5742 295.6240 PRESSURE: 374600 0 0 0 0 0 0 0 0 0 GPRESSURE: 374600 0 0 0 0 0 0 0 0 0 PRESSAVG: 374600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374600 0 0 0 0 0 0 0 0 0 TIMING: 374600 CPU: 1492.75, 0.00397421/step Wall: 1492.75, 0.00397421/step, 0.138435 hours remaining, 109.652344 MB of memory in use. ENERGY: 374600 641.0718 1878.9680 2031.7032 98.7511 -14.8073 -1086.1301 158.6875 0.0000 2746.9057 6455.1500 303.4034 3708.2443 6492.7035 297.3423 PRESSURE: 374700 0 0 0 0 0 0 0 0 0 GPRESSURE: 374700 0 0 0 0 0 0 0 0 0 PRESSAVG: 374700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374700 0 0 0 0 0 0 0 0 0 TIMING: 374700 CPU: 1493.15, 0.00396833/step Wall: 1493.15, 0.00396833/step, 0.13812 hours remaining, 109.652344 MB of memory in use. ENERGY: 374700 671.5349 1919.9626 2025.6792 98.4805 -14.6648 -1066.5021 171.9324 0.0000 2632.9956 6439.4184 290.8217 3806.4227 6470.5022 297.4206 PRESSURE: 374800 0 0 0 0 0 0 0 0 0 GPRESSURE: 374800 0 0 0 0 0 0 0 0 0 PRESSAVG: 374800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374800 0 0 0 0 0 0 0 0 0 TIMING: 374800 CPU: 1493.54, 0.00398233/step Wall: 1493.54, 0.00398232/step, 0.138496 hours remaining, 109.652344 MB of memory in use. ENERGY: 374800 621.0273 1874.4008 2006.1249 102.2679 -14.4261 -1039.6874 167.8829 0.0000 2710.7553 6428.3454 299.4105 3717.5900 6463.3525 296.0815 PRESSURE: 374900 0 0 0 0 0 0 0 0 0 GPRESSURE: 374900 0 0 0 0 0 0 0 0 0 PRESSAVG: 374900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 374900 0 0 0 0 0 0 0 0 0 TIMING: 374900 CPU: 1493.94, 0.003969/step Wall: 1493.94, 0.00396901/step, 0.137923 hours remaining, 109.652344 MB of memory in use. ENERGY: 374900 615.4383 1856.8005 2014.8748 107.5009 -14.8098 -1021.4195 162.5759 0.0000 2709.2459 6430.2071 299.2438 3720.9612 6464.8282 296.8996 PRESSURE: 375000 0 0 0 0 0 0 0 0 0 GPRESSURE: 375000 0 0 0 0 0 0 0 0 0 PRESSAVG: 375000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375000 0 0 0 0 0 0 0 0 0 TIMING: 375000 CPU: 1494.34, 0.00397054/step Wall: 1494.34, 0.00397054/step, 0.137866 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 375000 654.9336 1866.9797 2019.7529 105.1290 -14.2233 -1048.0616 178.0722 0.0000 2706.4199 6469.0023 298.9316 3762.5824 6499.0999 297.7672 PRESSURE: 375100 0 0 0 0 0 0 0 0 0 GPRESSURE: 375100 0 0 0 0 0 0 0 0 0 PRESSAVG: 375100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375100 0 0 0 0 0 0 0 0 0 TIMING: 375100 CPU: 1494.74, 0.00398009/step Wall: 1494.74, 0.00398009/step, 0.138087 hours remaining, 109.652344 MB of memory in use. ENERGY: 375100 667.4099 1885.4294 2027.2049 99.0415 -14.3495 -1068.1740 165.0241 0.0000 2703.6689 6465.2552 298.6278 3761.5863 6494.1813 298.9560 PRESSURE: 375200 0 0 0 0 0 0 0 0 0 GPRESSURE: 375200 0 0 0 0 0 0 0 0 0 PRESSAVG: 375200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375200 0 0 0 0 0 0 0 0 0 TIMING: 375200 CPU: 1495.13, 0.0039675/step Wall: 1495.13, 0.0039675/step, 0.13754 hours remaining, 109.652344 MB of memory in use. ENERGY: 375200 658.5734 1896.2123 2027.5500 112.2531 -13.8138 -1035.0503 172.5734 0.0000 2671.7540 6490.0521 295.1027 3818.2981 6522.3286 298.5371 PRESSURE: 375300 0 0 0 0 0 0 0 0 0 GPRESSURE: 375300 0 0 0 0 0 0 0 0 0 PRESSAVG: 375300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375300 0 0 0 0 0 0 0 0 0 TIMING: 375300 CPU: 1495.53, 0.00398106/step Wall: 1495.53, 0.00398106/step, 0.1379 hours remaining, 109.652344 MB of memory in use. ENERGY: 375300 661.1497 1874.5485 2048.1136 106.8526 -14.9941 -1049.0947 153.5266 0.0000 2728.1377 6508.2400 301.3304 3780.1023 6541.2222 301.2645 PRESSURE: 375400 0 0 0 0 0 0 0 0 0 GPRESSURE: 375400 0 0 0 0 0 0 0 0 0 PRESSAVG: 375400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375400 0 0 0 0 0 0 0 0 0 TIMING: 375400 CPU: 1495.93, 0.00397037/step Wall: 1495.93, 0.00397036/step, 0.137419 hours remaining, 109.652344 MB of memory in use. ENERGY: 375400 650.4676 1857.3478 2061.5249 119.8132 -15.7308 -1041.8191 144.9860 0.0000 2693.3955 6469.9849 297.4930 3776.5895 6503.9895 302.0044 PRESSURE: 375500 0 0 0 0 0 0 0 0 0 GPRESSURE: 375500 0 0 0 0 0 0 0 0 0 PRESSAVG: 375500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375500 0 0 0 0 0 0 0 0 0 TIMING: 375500 CPU: 1496.33, 0.00396944/step Wall: 1496.33, 0.00396945/step, 0.137277 hours remaining, 109.652344 MB of memory in use. ENERGY: 375500 610.5098 1930.8769 2019.8217 108.9929 -13.8825 -1040.9703 161.4260 0.0000 2699.5699 6476.3445 298.1750 3776.7746 6510.6476 300.2015 PRESSURE: 375600 0 0 0 0 0 0 0 0 0 GPRESSURE: 375600 0 0 0 0 0 0 0 0 0 PRESSAVG: 375600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375600 0 0 0 0 0 0 0 0 0 TIMING: 375600 CPU: 1496.72, 0.0039806/step Wall: 1496.72, 0.0039806/step, 0.137552 hours remaining, 109.652344 MB of memory in use. ENERGY: 375600 664.9548 1863.8913 1994.9063 104.2539 -15.0395 -1055.0520 164.7297 0.0000 2759.1975 6481.8419 304.7610 3722.6445 6517.3082 299.5315 PRESSURE: 375700 0 0 0 0 0 0 0 0 0 GPRESSURE: 375700 0 0 0 0 0 0 0 0 0 PRESSAVG: 375700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375700 0 0 0 0 0 0 0 0 0 TIMING: 375700 CPU: 1497.12, 0.0039705/step Wall: 1497.12, 0.00397049/step, 0.137092 hours remaining, 109.652344 MB of memory in use. ENERGY: 375700 657.5709 1872.6724 2038.5910 113.2050 -13.8510 -1037.0792 153.3531 0.0000 2727.8778 6512.3400 301.3017 3784.4622 6547.9602 301.3815 PRESSURE: 375800 0 0 0 0 0 0 0 0 0 GPRESSURE: 375800 0 0 0 0 0 0 0 0 0 PRESSAVG: 375800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375800 0 0 0 0 0 0 0 0 0 TIMING: 375800 CPU: 1497.52, 0.00398382/step Wall: 1497.52, 0.00398383/step, 0.137442 hours remaining, 109.652344 MB of memory in use. ENERGY: 375800 662.2160 1932.7926 2011.8542 109.2554 -15.0734 -1054.2295 158.7943 0.0000 2712.1794 6517.7890 299.5678 3805.6096 6550.5524 302.1987 PRESSURE: 375900 0 0 0 0 0 0 0 0 0 GPRESSURE: 375900 0 0 0 0 0 0 0 0 0 PRESSAVG: 375900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 375900 0 0 0 0 0 0 0 0 0 TIMING: 375900 CPU: 1497.92, 0.00397061/step Wall: 1497.92, 0.00397061/step, 0.136876 hours remaining, 109.652344 MB of memory in use. ENERGY: 375900 629.6456 1909.3525 1990.5108 92.3789 -15.3690 -1047.9910 158.4696 0.0000 2766.9977 6483.9951 305.6226 3716.9974 6517.7778 301.7786 PRESSURE: 376000 0 0 0 0 0 0 0 0 0 GPRESSURE: 376000 0 0 0 0 0 0 0 0 0 PRESSAVG: 376000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376000 0 0 0 0 0 0 0 0 0 TIMING: 376000 CPU: 1498.31, 0.00397111/step Wall: 1498.31, 0.00397111/step, 0.136783 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 376000 653.4634 1873.7074 2013.0649 90.9578 -15.6949 -1056.9547 172.0694 0.0000 2721.8378 6452.4511 300.6346 3730.6134 6486.0302 299.3145 PRESSURE: 376100 0 0 0 0 0 0 0 0 0 GPRESSURE: 376100 0 0 0 0 0 0 0 0 0 PRESSAVG: 376100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376100 0 0 0 0 0 0 0 0 0 TIMING: 376100 CPU: 1498.71, 0.0039814/step Wall: 1498.71, 0.00398139/step, 0.137026 hours remaining, 109.652344 MB of memory in use. ENERGY: 376100 636.8425 1884.2081 1973.7562 86.1171 -15.2827 -1021.2541 157.1911 0.0000 2742.7346 6444.3127 302.9427 3701.5781 6478.9197 297.6890 PRESSURE: 376200 0 0 0 0 0 0 0 0 0 GPRESSURE: 376200 0 0 0 0 0 0 0 0 0 PRESSAVG: 376200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376200 0 0 0 0 0 0 0 0 0 TIMING: 376200 CPU: 1499.11, 0.00397111/step Wall: 1499.11, 0.00397112/step, 0.136562 hours remaining, 109.652344 MB of memory in use. ENERGY: 376200 661.4703 1860.2341 2022.6923 108.3031 -14.3033 -1028.3686 156.3238 0.0000 2693.7663 6460.1179 297.5340 3766.3516 6494.2911 299.3262 LDB: ============= START OF LOAD BALANCING ============== 1501.88 LDB: ============== END OF LOAD BALANCING =============== 1501.88 LDB: =============== DONE WITH MIGRATION ================ 1501.88 PRESSURE: 376300 0 0 0 0 0 0 0 0 0 GPRESSURE: 376300 0 0 0 0 0 0 0 0 0 PRESSAVG: 376300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376300 0 0 0 0 0 0 0 0 0 TIMING: 376300 CPU: 1499.51, 0.00398267/step Wall: 1499.51, 0.00398267/step, 0.136849 hours remaining, 109.652344 MB of memory in use. ENERGY: 376300 660.0449 1935.4589 2020.4528 97.9055 -14.8502 -1058.3471 160.2228 0.0000 2710.6859 6511.5736 299.4028 3800.8877 6543.1294 299.4581 LDB: ============= START OF LOAD BALANCING ============== 1502.28 LDB: ============== END OF LOAD BALANCING =============== 1502.28 LDB: =============== DONE WITH MIGRATION ================ 1502.28 PRESSURE: 376400 0 0 0 0 0 0 0 0 0 GPRESSURE: 376400 0 0 0 0 0 0 0 0 0 PRESSAVG: 376400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376400 0 0 0 0 0 0 0 0 0 TIMING: 376400 CPU: 1499.9, 0.00398061/step Wall: 1499.9, 0.00398061/step, 0.136668 hours remaining, 109.652344 MB of memory in use. ENERGY: 376400 669.6465 1927.9681 2015.1262 102.2727 -14.6746 -1057.0959 149.8920 0.0000 2710.4970 6503.6320 299.3819 3793.1350 6535.2310 301.0244 PRESSURE: 376500 0 0 0 0 0 0 0 0 0 GPRESSURE: 376500 0 0 0 0 0 0 0 0 0 PRESSAVG: 376500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376500 0 0 0 0 0 0 0 0 0 TIMING: 376500 CPU: 1500.3, 0.0039713/step Wall: 1500.3, 0.0039713/step, 0.136238 hours remaining, 109.652344 MB of memory in use. ENERGY: 376500 667.0286 1883.6847 2029.3301 101.4967 -13.9902 -1060.6998 161.4028 0.0000 2738.7960 6507.0488 302.5076 3768.2528 6540.0031 301.4731 PRESSURE: 376600 0 0 0 0 0 0 0 0 0 GPRESSURE: 376600 0 0 0 0 0 0 0 0 0 PRESSAVG: 376600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376600 0 0 0 0 0 0 0 0 0 TIMING: 376600 CPU: 1500.7, 0.00398342/step Wall: 1500.7, 0.00398342/step, 0.136543 hours remaining, 109.652344 MB of memory in use. ENERGY: 376600 661.5494 1936.1597 2014.5281 109.2705 -15.3182 -1037.3758 158.8194 0.0000 2677.8121 6505.4453 295.7718 3827.6332 6537.3946 302.1733 PRESSURE: 376700 0 0 0 0 0 0 0 0 0 GPRESSURE: 376700 0 0 0 0 0 0 0 0 0 PRESSAVG: 376700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376700 0 0 0 0 0 0 0 0 0 TIMING: 376700 CPU: 1501.1, 0.00396901/step Wall: 1501.1, 0.003969/step, 0.135938 hours remaining, 109.652344 MB of memory in use. ENERGY: 376700 642.6191 1927.5005 2019.0493 90.0009 -15.0139 -1088.0942 154.7491 0.0000 2783.6006 6514.4114 307.4564 3730.8108 6550.4866 301.4169 PRESSURE: 376800 0 0 0 0 0 0 0 0 0 GPRESSURE: 376800 0 0 0 0 0 0 0 0 0 PRESSAVG: 376800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376800 0 0 0 0 0 0 0 0 0 TIMING: 376800 CPU: 1501.5, 0.00398162/step Wall: 1501.5, 0.00398163/step, 0.13626 hours remaining, 109.652344 MB of memory in use. ENERGY: 376800 664.7641 1875.7962 2038.8283 104.2386 -14.7031 -1007.3911 157.7575 0.0000 2757.2561 6576.5465 304.5466 3819.2905 6610.8809 304.4496 PRESSURE: 376900 0 0 0 0 0 0 0 0 0 GPRESSURE: 376900 0 0 0 0 0 0 0 0 0 PRESSAVG: 376900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 376900 0 0 0 0 0 0 0 0 0 TIMING: 376900 CPU: 1501.89, 0.00396978/step Wall: 1501.89, 0.00396978/step, 0.135744 hours remaining, 109.652344 MB of memory in use. ENERGY: 376900 640.9735 1934.7952 2049.5128 103.9139 -14.6325 -1036.7041 163.4875 0.0000 2728.3796 6569.7260 301.3571 3841.3464 6602.2671 305.0274 PRESSURE: 377000 0 0 0 0 0 0 0 0 0 GPRESSURE: 377000 0 0 0 0 0 0 0 0 0 PRESSAVG: 377000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377000 0 0 0 0 0 0 0 0 0 TIMING: 377000 CPU: 1502.29, 0.00397202/step Wall: 1502.29, 0.00397202/step, 0.135711 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 377000 658.5551 1964.1573 2023.9224 109.7627 -15.4710 -1104.1383 168.5201 0.0000 2708.8152 6514.1235 299.1962 3805.3083 6547.3310 303.3525 PRESSURE: 377100 0 0 0 0 0 0 0 0 0 GPRESSURE: 377100 0 0 0 0 0 0 0 0 0 PRESSAVG: 377100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377100 0 0 0 0 0 0 0 0 0 TIMING: 377100 CPU: 1502.69, 0.00398294/step Wall: 1502.69, 0.00398294/step, 0.135973 hours remaining, 109.652344 MB of memory in use. ENERGY: 377100 620.0912 1905.9034 2022.0095 100.6195 -14.8104 -1009.0999 166.8435 0.0000 2716.9722 6508.5290 300.0972 3791.5568 6544.9478 302.4310 PRESSURE: 377200 0 0 0 0 0 0 0 0 0 GPRESSURE: 377200 0 0 0 0 0 0 0 0 0 PRESSAVG: 377200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377200 0 0 0 0 0 0 0 0 0 TIMING: 377200 CPU: 1503.09, 0.00397328/step Wall: 1503.09, 0.00397328/step, 0.135533 hours remaining, 109.652344 MB of memory in use. ENERGY: 377200 672.1270 1882.9633 2036.7457 121.8437 -14.6747 -1041.6971 157.9648 0.0000 2730.0755 6545.3481 301.5444 3815.2726 6580.4846 302.8697 PRESSURE: 377300 0 0 0 0 0 0 0 0 0 GPRESSURE: 377300 0 0 0 0 0 0 0 0 0 PRESSAVG: 377300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377300 0 0 0 0 0 0 0 0 0 TIMING: 377300 CPU: 1503.48, 0.00398365/step Wall: 1503.48, 0.00398365/step, 0.135776 hours remaining, 109.652344 MB of memory in use. ENERGY: 377300 687.2237 1931.1400 2003.5987 91.1816 -14.2489 -1031.4632 160.0331 0.0000 2740.7250 6568.1901 302.7207 3827.4651 6599.8103 303.5900 PRESSURE: 377400 0 0 0 0 0 0 0 0 0 GPRESSURE: 377400 0 0 0 0 0 0 0 0 0 PRESSAVG: 377400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377400 0 0 0 0 0 0 0 0 0 TIMING: 377400 CPU: 1503.88, 0.00396817/step Wall: 1503.88, 0.00396817/step, 0.135138 hours remaining, 109.652344 MB of memory in use. ENERGY: 377400 680.4722 1901.3357 2031.9720 105.5126 -13.9596 -1063.7835 149.3419 0.0000 2746.1026 6536.9938 303.3147 3790.8912 6570.5417 303.8029 PRESSURE: 377500 0 0 0 0 0 0 0 0 0 GPRESSURE: 377500 0 0 0 0 0 0 0 0 0 PRESSAVG: 377500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377500 0 0 0 0 0 0 0 0 0 TIMING: 377500 CPU: 1504.28, 0.00397098/step Wall: 1504.28, 0.00397098/step, 0.135124 hours remaining, 109.652344 MB of memory in use. ENERGY: 377500 681.6214 1907.9146 2026.1601 104.3896 -13.4336 -1122.4323 152.7195 0.0000 2777.1527 6514.0920 306.7442 3736.9393 6548.1074 303.2911 PRESSURE: 377600 0 0 0 0 0 0 0 0 0 GPRESSURE: 377600 0 0 0 0 0 0 0 0 0 PRESSAVG: 377600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377600 0 0 0 0 0 0 0 0 0 TIMING: 377600 CPU: 1504.68, 0.00398222/step Wall: 1504.68, 0.00398222/step, 0.135395 hours remaining, 109.652344 MB of memory in use. ENERGY: 377600 662.0179 1884.6466 2031.7622 100.6573 -14.0396 -1067.6661 159.4483 0.0000 2734.8856 6491.7121 302.0757 3756.8266 6523.3053 301.7401 PRESSURE: 377700 0 0 0 0 0 0 0 0 0 GPRESSURE: 377700 0 0 0 0 0 0 0 0 0 PRESSAVG: 377700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377700 0 0 0 0 0 0 0 0 0 TIMING: 377700 CPU: 1505.07, 0.00396873/step Wall: 1505.07, 0.00396872/step, 0.134826 hours remaining, 109.652344 MB of memory in use. ENERGY: 377700 635.9279 1861.8273 2030.0824 104.2127 -14.0566 -1019.7851 170.5306 0.0000 2700.3138 6469.0529 298.2572 3768.7391 6503.3451 299.5835 PRESSURE: 377800 0 0 0 0 0 0 0 0 0 GPRESSURE: 377800 0 0 0 0 0 0 0 0 0 PRESSAVG: 377800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377800 0 0 0 0 0 0 0 0 0 TIMING: 377800 CPU: 1505.47, 0.00398114/step Wall: 1505.47, 0.00398115/step, 0.135138 hours remaining, 109.652344 MB of memory in use. ENERGY: 377800 680.6239 1881.4383 2028.3073 104.7827 -14.8702 -1054.2940 146.6212 0.0000 2715.1774 6487.7864 299.8989 3772.6090 6519.1885 298.8124 PRESSURE: 377900 0 0 0 0 0 0 0 0 0 GPRESSURE: 377900 0 0 0 0 0 0 0 0 0 PRESSAVG: 377900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 377900 0 0 0 0 0 0 0 0 0 TIMING: 377900 CPU: 1505.87, 0.00396958/step Wall: 1505.87, 0.00396958/step, 0.134635 hours remaining, 109.652344 MB of memory in use. ENERGY: 377900 634.2734 1913.2769 2017.9696 100.2689 -13.5157 -1053.3003 163.8598 0.0000 2767.0310 6529.8637 305.6263 3762.8327 6565.8603 302.0871 PRESSURE: 378000 0 0 0 0 0 0 0 0 0 GPRESSURE: 378000 0 0 0 0 0 0 0 0 0 PRESSAVG: 378000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378000 0 0 0 0 0 0 0 0 0 TIMING: 378000 CPU: 1506.26, 0.00397277/step Wall: 1506.26, 0.00397277/step, 0.134633 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 378000 669.6358 1903.1621 2022.7317 111.2964 -14.1074 -1034.2124 171.7906 0.0000 2758.9985 6589.2952 304.7391 3830.2967 6623.2298 303.7590 PRESSURE: 378100 0 0 0 0 0 0 0 0 0 GPRESSURE: 378100 0 0 0 0 0 0 0 0 0 PRESSAVG: 378100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378100 0 0 0 0 0 0 0 0 0 TIMING: 378100 CPU: 1506.66, 0.00398209/step Wall: 1506.66, 0.00398209/step, 0.134838 hours remaining, 109.652344 MB of memory in use. ENERGY: 378100 704.0833 1901.9662 2015.4047 108.3672 -14.7262 -1068.8731 167.3308 0.0000 2721.4724 6535.0253 300.5942 3813.5529 6569.4904 303.6546 PRESSURE: 378200 0 0 0 0 0 0 0 0 0 GPRESSURE: 378200 0 0 0 0 0 0 0 0 0 PRESSAVG: 378200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378200 0 0 0 0 0 0 0 0 0 TIMING: 378200 CPU: 1507.06, 0.00397131/step Wall: 1507.06, 0.00397131/step, 0.134363 hours remaining, 109.652344 MB of memory in use. ENERGY: 378200 735.6240 1911.2987 1991.8626 106.4895 -14.2610 -1075.2769 174.2527 0.0000 2696.9251 6526.9146 297.8829 3829.9895 6559.5177 302.9220 PRESSURE: 378300 0 0 0 0 0 0 0 0 0 GPRESSURE: 378300 0 0 0 0 0 0 0 0 0 PRESSAVG: 378300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378300 0 0 0 0 0 0 0 0 0 TIMING: 378300 CPU: 1507.46, 0.00398274/step Wall: 1507.46, 0.00398274/step, 0.134639 hours remaining, 109.652344 MB of memory in use. ENERGY: 378300 659.4360 1943.6468 1994.4951 99.8886 -13.2855 -1041.4141 165.9692 0.0000 2712.3140 6521.0500 299.5826 3808.7360 6555.2251 300.5015 PRESSURE: 378400 0 0 0 0 0 0 0 0 0 GPRESSURE: 378400 0 0 0 0 0 0 0 0 0 PRESSAVG: 378400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378400 0 0 0 0 0 0 0 0 0 TIMING: 378400 CPU: 1507.86, 0.00396929/step Wall: 1507.86, 0.00396929/step, 0.134074 hours remaining, 109.652344 MB of memory in use. ENERGY: 378400 662.8169 1924.3851 2004.4474 90.9178 -14.5077 -1047.3742 161.0808 0.0000 2684.2326 6465.9987 296.4810 3781.7661 6497.5891 300.2864 PRESSURE: 378500 0 0 0 0 0 0 0 0 0 GPRESSURE: 378500 0 0 0 0 0 0 0 0 0 PRESSAVG: 378500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378500 0 0 0 0 0 0 0 0 0 TIMING: 378500 CPU: 1508.25, 0.00397121/step Wall: 1508.25, 0.00397121/step, 0.134028 hours remaining, 109.652344 MB of memory in use. ENERGY: 378500 632.4614 1888.9155 2004.1460 116.2625 -14.6734 -1053.5871 162.1124 0.0000 2733.1856 6468.8230 301.8880 3735.6374 6504.4361 298.9718 PRESSURE: 378600 0 0 0 0 0 0 0 0 0 GPRESSURE: 378600 0 0 0 0 0 0 0 0 0 PRESSAVG: 378600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378600 0 0 0 0 0 0 0 0 0 TIMING: 378600 CPU: 1508.65, 0.00398248/step Wall: 1508.65, 0.00398247/step, 0.134298 hours remaining, 109.652344 MB of memory in use. ENERGY: 378600 655.5988 1872.8905 1987.8982 95.3310 -14.6510 -1049.2683 141.3193 0.0000 2740.2263 6429.3448 302.6656 3689.1185 6461.3345 299.7010 PRESSURE: 378700 0 0 0 0 0 0 0 0 0 GPRESSURE: 378700 0 0 0 0 0 0 0 0 0 PRESSAVG: 378700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378700 0 0 0 0 0 0 0 0 0 TIMING: 378700 CPU: 1509.05, 0.00397079/step Wall: 1509.05, 0.0039708/step, 0.133794 hours remaining, 109.652344 MB of memory in use. ENERGY: 378700 624.8458 1877.9314 1982.1564 103.3091 -14.5736 -1047.7039 150.9314 0.0000 2772.3859 6449.2824 306.2177 3676.8966 6483.9405 298.5193 PRESSURE: 378800 0 0 0 0 0 0 0 0 0 GPRESSURE: 378800 0 0 0 0 0 0 0 0 0 PRESSAVG: 378800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378800 0 0 0 0 0 0 0 0 0 TIMING: 378800 CPU: 1509.45, 0.00398298/step Wall: 1509.45, 0.00398298/step, 0.134094 hours remaining, 109.652344 MB of memory in use. ENERGY: 378800 645.3973 1883.3245 2012.3819 109.8794 -14.7649 -1029.1898 155.4035 0.0000 2718.6327 6481.0647 300.2806 3762.4320 6515.1844 298.9077 PRESSURE: 378900 0 0 0 0 0 0 0 0 0 GPRESSURE: 378900 0 0 0 0 0 0 0 0 0 PRESSAVG: 378900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 378900 0 0 0 0 0 0 0 0 0 TIMING: 378900 CPU: 1509.84, 0.00397114/step Wall: 1509.84, 0.00397114/step, 0.133585 hours remaining, 109.652344 MB of memory in use. ENERGY: 378900 635.1759 1913.9283 1998.7470 97.9648 -14.0458 -1030.5670 167.4420 0.0000 2683.6546 6452.2997 296.4171 3768.6451 6486.3112 298.4818 PRESSURE: 379000 0 0 0 0 0 0 0 0 0 GPRESSURE: 379000 0 0 0 0 0 0 0 0 0 PRESSAVG: 379000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379000 0 0 0 0 0 0 0 0 0 TIMING: 379000 CPU: 1510.24, 0.00397055/step Wall: 1510.24, 0.00397055/step, 0.133455 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 379000 659.6222 1934.7044 2004.7192 110.5763 -14.2276 -1046.6675 161.6106 0.0000 2632.1065 6442.4442 290.7235 3810.3377 6473.3638 298.7834 PRESSURE: 379100 0 0 0 0 0 0 0 0 0 GPRESSURE: 379100 0 0 0 0 0 0 0 0 0 PRESSAVG: 379100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379100 0 0 0 0 0 0 0 0 0 TIMING: 379100 CPU: 1510.64, 0.00399675/step Wall: 1510.64, 0.00399675/step, 0.134224 hours remaining, 109.652344 MB of memory in use. ENERGY: 379100 666.8596 1871.2252 2008.9222 97.6927 -12.7884 -1042.4692 177.7315 0.0000 2703.2994 6470.4730 298.5869 3767.1736 6502.8770 298.4963 PRESSURE: 379200 0 0 0 0 0 0 0 0 0 GPRESSURE: 379200 0 0 0 0 0 0 0 0 0 PRESSAVG: 379200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379200 0 0 0 0 0 0 0 0 0 TIMING: 379200 CPU: 1511.04, 0.00396934/step Wall: 1511.04, 0.00396934/step, 0.133193 hours remaining, 109.652344 MB of memory in use. ENERGY: 379200 658.8890 1915.0826 2012.9715 107.0498 -13.3530 -1068.5861 170.7966 0.0000 2700.2689 6483.1194 298.2522 3782.8505 6516.0018 299.4238 PRESSURE: 379300 0 0 0 0 0 0 0 0 0 GPRESSURE: 379300 0 0 0 0 0 0 0 0 0 PRESSAVG: 379300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379300 0 0 0 0 0 0 0 0 0 TIMING: 379300 CPU: 1511.44, 0.00399238/step Wall: 1511.44, 0.00399238/step, 0.133856 hours remaining, 109.652344 MB of memory in use. ENERGY: 379300 673.0974 1881.2917 2036.1835 110.5331 -14.4074 -1042.0757 157.9212 0.0000 2646.1169 6448.6607 292.2710 3802.5438 6480.7949 299.0437 PRESSURE: 379400 0 0 0 0 0 0 0 0 0 GPRESSURE: 379400 0 0 0 0 0 0 0 0 0 PRESSAVG: 379400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379400 0 0 0 0 0 0 0 0 0 TIMING: 379400 CPU: 1511.83, 0.0039734/step Wall: 1511.83, 0.0039734/step, 0.133109 hours remaining, 109.652344 MB of memory in use. ENERGY: 379400 670.4776 1871.7908 1998.8643 103.1040 -13.5620 -1082.9939 172.8211 0.0000 2746.0743 6466.5762 303.3116 3720.5019 6499.0914 297.9552 PRESSURE: 379500 0 0 0 0 0 0 0 0 0 GPRESSURE: 379500 0 0 0 0 0 0 0 0 0 PRESSAVG: 379500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379500 0 0 0 0 0 0 0 0 0 TIMING: 379500 CPU: 1512.23, 0.00397808/step Wall: 1512.23, 0.00397808/step, 0.133155 hours remaining, 109.652344 MB of memory in use. ENERGY: 379500 654.3464 1842.0455 2021.5642 112.2380 -14.6274 -1048.5204 163.2271 0.0000 2772.3128 6502.5862 306.2097 3730.2734 6537.2880 301.0418 PRESSURE: 379600 0 0 0 0 0 0 0 0 0 GPRESSURE: 379600 0 0 0 0 0 0 0 0 0 PRESSAVG: 379600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379600 0 0 0 0 0 0 0 0 0 TIMING: 379600 CPU: 1512.63, 0.0039835/step Wall: 1512.63, 0.0039835/step, 0.133226 hours remaining, 109.652344 MB of memory in use. ENERGY: 379600 669.7582 1877.3232 1979.7183 104.7554 -14.9969 -1045.7446 162.9462 0.0000 2800.7738 6534.5335 309.3533 3733.7597 6572.0130 302.3577 PRESSURE: 379700 0 0 0 0 0 0 0 0 0 GPRESSURE: 379700 0 0 0 0 0 0 0 0 0 PRESSAVG: 379700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379700 0 0 0 0 0 0 0 0 0 TIMING: 379700 CPU: 1513.03, 0.00397451/step Wall: 1513.03, 0.00397451/step, 0.132815 hours remaining, 109.652344 MB of memory in use. ENERGY: 379700 663.5373 1814.8112 2025.8759 112.6291 -14.7305 -1033.1996 158.5837 0.0000 2813.3176 6540.8247 310.7388 3727.5071 6579.3512 303.2141 PRESSURE: 379800 0 0 0 0 0 0 0 0 0 GPRESSURE: 379800 0 0 0 0 0 0 0 0 0 PRESSAVG: 379800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379800 0 0 0 0 0 0 0 0 0 TIMING: 379800 CPU: 1513.43, 0.00398498/step Wall: 1513.43, 0.00398498/step, 0.133054 hours remaining, 109.652344 MB of memory in use. ENERGY: 379800 653.3162 1962.4757 2025.8395 102.1770 -14.3358 -1083.1581 177.3860 0.0000 2723.0791 6546.7797 300.7717 3823.7006 6577.3704 302.7519 PRESSURE: 379900 0 0 0 0 0 0 0 0 0 GPRESSURE: 379900 0 0 0 0 0 0 0 0 0 PRESSAVG: 379900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 379900 0 0 0 0 0 0 0 0 0 TIMING: 379900 CPU: 1513.82, 0.00397158/step Wall: 1513.82, 0.00397158/step, 0.132496 hours remaining, 109.652344 MB of memory in use. ENERGY: 379900 650.7694 1939.3606 2000.6331 115.9458 -14.6393 -1029.1237 164.5542 0.0000 2723.1326 6550.6328 300.7776 3827.5002 6583.4757 303.5196 PRESSURE: 380000 0 0 0 0 0 0 0 0 0 GPRESSURE: 380000 0 0 0 0 0 0 0 0 0 PRESSAVG: 380000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380000 0 0 0 0 0 0 0 0 0 TIMING: 380000 CPU: 1514.22, 0.0039728/step Wall: 1514.22, 0.0039728/step, 0.132427 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 380000 658.1678 1896.2108 2026.1266 111.4434 -14.5847 -1060.0943 184.9834 0.0000 2699.3507 6501.6037 298.1508 3802.2530 6532.4680 302.4110 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 380000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 380000 WRITING COORDINATES TO RESTART FILE AT STEP 380000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 380000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 380100 0 0 0 0 0 0 0 0 0 GPRESSURE: 380100 0 0 0 0 0 0 0 0 0 PRESSAVG: 380100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380100 0 0 0 0 0 0 0 0 0 TIMING: 380100 CPU: 1514.65, 0.00432542/step Wall: 1514.65, 0.00432542/step, 0.144061 hours remaining, 109.652344 MB of memory in use. ENERGY: 380100 614.0418 1930.1181 2020.1420 104.1321 -15.2406 -1029.6652 165.8606 0.0000 2709.9751 6499.3640 299.3243 3789.3889 6530.1541 300.5653 PRESSURE: 380200 0 0 0 0 0 0 0 0 0 GPRESSURE: 380200 0 0 0 0 0 0 0 0 0 PRESSAVG: 380200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380200 0 0 0 0 0 0 0 0 0 TIMING: 380200 CPU: 1515.05, 0.00397145/step Wall: 1515.05, 0.00397145/step, 0.132161 hours remaining, 109.652344 MB of memory in use. ENERGY: 380200 629.8338 1872.5125 2029.1903 106.2048 -15.0611 -1077.7457 159.8256 0.0000 2739.9110 6444.6712 302.6308 3704.7602 6480.4399 300.1823 LDB: ============= START OF LOAD BALANCING ============== 1517.83 LDB: ============== END OF LOAD BALANCING =============== 1517.83 LDB: =============== DONE WITH MIGRATION ================ 1517.83 PRESSURE: 380300 0 0 0 0 0 0 0 0 0 GPRESSURE: 380300 0 0 0 0 0 0 0 0 0 PRESSAVG: 380300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380300 0 0 0 0 0 0 0 0 0 TIMING: 380300 CPU: 1515.45, 0.00398264/step Wall: 1515.45, 0.00398264/step, 0.132423 hours remaining, 109.652344 MB of memory in use. ENERGY: 380300 674.2901 1879.1429 1995.0182 111.3572 -14.8293 -1056.0786 161.0953 0.0000 2675.0107 6425.0065 295.4624 3749.9958 6458.8071 296.9005 LDB: ============= START OF LOAD BALANCING ============== 1518.22 LDB: ============== END OF LOAD BALANCING =============== 1518.22 LDB: =============== DONE WITH MIGRATION ================ 1518.22 PRESSURE: 380400 0 0 0 0 0 0 0 0 0 GPRESSURE: 380400 0 0 0 0 0 0 0 0 0 PRESSAVG: 380400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380400 0 0 0 0 0 0 0 0 0 TIMING: 380400 CPU: 1515.85, 0.00397747/step Wall: 1515.85, 0.00397747/step, 0.13214 hours remaining, 109.652344 MB of memory in use. ENERGY: 380400 622.4036 1895.9879 1995.6899 110.0409 -15.8618 -1038.8268 157.7994 0.0000 2685.6333 6412.8663 296.6357 3727.2330 6444.7516 297.0382 PRESSURE: 380500 0 0 0 0 0 0 0 0 0 GPRESSURE: 380500 0 0 0 0 0 0 0 0 0 PRESSAVG: 380500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380500 0 0 0 0 0 0 0 0 0 TIMING: 380500 CPU: 1516.24, 0.00397014/step Wall: 1516.24, 0.00397014/step, 0.131787 hours remaining, 109.652344 MB of memory in use. ENERGY: 380500 650.4328 1867.7831 1986.1395 96.0402 -15.6170 -1037.9525 139.9573 0.0000 2704.0932 6390.8765 298.6746 3686.7833 6424.8677 296.8418 PRESSURE: 380600 0 0 0 0 0 0 0 0 0 GPRESSURE: 380600 0 0 0 0 0 0 0 0 0 PRESSAVG: 380600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380600 0 0 0 0 0 0 0 0 0 TIMING: 380600 CPU: 1516.64, 0.0039804/step Wall: 1516.64, 0.0039804/step, 0.132017 hours remaining, 109.652344 MB of memory in use. ENERGY: 380600 642.7731 1873.7148 2018.0697 91.9450 -13.6703 -1058.3288 174.6136 0.0000 2681.0715 6410.1886 296.1318 3729.1171 6445.1356 295.0363 PRESSURE: 380700 0 0 0 0 0 0 0 0 0 GPRESSURE: 380700 0 0 0 0 0 0 0 0 0 PRESSAVG: 380700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380700 0 0 0 0 0 0 0 0 0 TIMING: 380700 CPU: 1517.04, 0.00397067/step Wall: 1517.04, 0.00397067/step, 0.131584 hours remaining, 109.652344 MB of memory in use. ENERGY: 380700 671.9695 1897.1645 2000.6493 98.8482 -14.6765 -1048.3842 164.5824 0.0000 2639.8136 6409.9669 291.5748 3770.1533 6442.7526 296.9825 PRESSURE: 380800 0 0 0 0 0 0 0 0 0 GPRESSURE: 380800 0 0 0 0 0 0 0 0 0 PRESSAVG: 380800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380800 0 0 0 0 0 0 0 0 0 TIMING: 380800 CPU: 1517.44, 0.00398093/step Wall: 1517.44, 0.00398093/step, 0.131813 hours remaining, 109.652344 MB of memory in use. ENERGY: 380800 648.3323 1876.1421 2007.7457 108.5872 -14.2208 -1047.7807 167.0719 0.0000 2661.1126 6406.9904 293.9273 3745.8778 6438.2185 296.4037 PRESSURE: 380900 0 0 0 0 0 0 0 0 0 GPRESSURE: 380900 0 0 0 0 0 0 0 0 0 PRESSAVG: 380900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 380900 0 0 0 0 0 0 0 0 0 TIMING: 380900 CPU: 1517.83, 0.00397082/step Wall: 1517.83, 0.00397082/step, 0.131368 hours remaining, 109.652344 MB of memory in use. ENERGY: 380900 643.3529 1928.4464 2010.0599 111.1900 -15.0594 -1084.0147 167.0722 0.0000 2671.1955 6432.2426 295.0410 3761.0471 6467.0820 296.0718 PRESSURE: 381000 0 0 0 0 0 0 0 0 0 GPRESSURE: 381000 0 0 0 0 0 0 0 0 0 PRESSAVG: 381000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381000 0 0 0 0 0 0 0 0 0 TIMING: 381000 CPU: 1518.23, 0.00397099/step Wall: 1518.23, 0.00397099/step, 0.131263 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 381000 649.8880 1878.9389 2012.6924 103.1826 -15.9184 -1027.0676 168.6022 0.0000 2687.9734 6458.2914 296.8941 3770.3180 6489.5766 297.7758 PRESSURE: 381100 0 0 0 0 0 0 0 0 0 GPRESSURE: 381100 0 0 0 0 0 0 0 0 0 PRESSAVG: 381100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381100 0 0 0 0 0 0 0 0 0 TIMING: 381100 CPU: 1518.63, 0.00398092/step Wall: 1518.63, 0.00398092/step, 0.131481 hours remaining, 109.652344 MB of memory in use. ENERGY: 381100 636.6315 1930.2772 2027.2347 98.4798 -14.3123 -1063.9558 174.8413 0.0000 2715.1753 6504.3717 299.8987 3789.1964 6538.9490 299.9300 PRESSURE: 381200 0 0 0 0 0 0 0 0 0 GPRESSURE: 381200 0 0 0 0 0 0 0 0 0 PRESSAVG: 381200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381200 0 0 0 0 0 0 0 0 0 TIMING: 381200 CPU: 1519.03, 0.00397103/step Wall: 1519.03, 0.00397103/step, 0.131044 hours remaining, 109.652344 MB of memory in use. ENERGY: 381200 670.5616 1903.7461 1998.8565 109.0286 -14.6349 -1082.9079 165.5672 0.0000 2724.4308 6474.6480 300.9210 3750.2172 6507.3531 300.6293 PRESSURE: 381300 0 0 0 0 0 0 0 0 0 GPRESSURE: 381300 0 0 0 0 0 0 0 0 0 PRESSAVG: 381300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381300 0 0 0 0 0 0 0 0 0 TIMING: 381300 CPU: 1519.42, 0.00398351/step Wall: 1519.42, 0.00398351/step, 0.131345 hours remaining, 109.652344 MB of memory in use. ENERGY: 381300 657.4745 1867.9774 2027.7831 99.7373 -15.5992 -1056.5230 160.4728 0.0000 2767.7422 6509.0651 305.7048 3741.3229 6541.5305 302.2690 PRESSURE: 381400 0 0 0 0 0 0 0 0 0 GPRESSURE: 381400 0 0 0 0 0 0 0 0 0 PRESSAVG: 381400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381400 0 0 0 0 0 0 0 0 0 TIMING: 381400 CPU: 1519.82, 0.00397028/step Wall: 1519.82, 0.00397028/step, 0.130799 hours remaining, 109.652344 MB of memory in use. ENERGY: 381400 647.3866 1875.4303 2042.8542 104.7610 -15.4739 -1012.0715 154.9610 0.0000 2743.5125 6541.3602 303.0286 3797.8478 6573.3654 302.0454 PRESSURE: 381500 0 0 0 0 0 0 0 0 0 GPRESSURE: 381500 0 0 0 0 0 0 0 0 0 PRESSAVG: 381500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381500 0 0 0 0 0 0 0 0 0 TIMING: 381500 CPU: 1520.22, 0.00397123/step Wall: 1520.22, 0.00397123/step, 0.13072 hours remaining, 109.652344 MB of memory in use. ENERGY: 381500 659.2185 1885.7927 2014.2911 106.3141 -15.9677 -1045.9960 163.7145 0.0000 2794.9688 6562.3360 308.7121 3767.3672 6596.5845 304.4374 PRESSURE: 381600 0 0 0 0 0 0 0 0 0 GPRESSURE: 381600 0 0 0 0 0 0 0 0 0 PRESSAVG: 381600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381600 0 0 0 0 0 0 0 0 0 TIMING: 381600 CPU: 1520.62, 0.00398172/step Wall: 1520.62, 0.00398172/step, 0.130954 hours remaining, 109.652344 MB of memory in use. ENERGY: 381600 682.0343 1915.6172 2054.3627 105.6296 -15.3893 -1092.0067 175.9647 0.0000 2706.2013 6532.4137 298.9075 3826.2124 6563.5564 303.1938 PRESSURE: 381700 0 0 0 0 0 0 0 0 0 GPRESSURE: 381700 0 0 0 0 0 0 0 0 0 PRESSAVG: 381700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381700 0 0 0 0 0 0 0 0 0 TIMING: 381700 CPU: 1521.01, 0.00397199/step Wall: 1521.01, 0.00397198/step, 0.130524 hours remaining, 109.652344 MB of memory in use. ENERGY: 381700 621.8778 1876.0284 2022.8196 95.1161 -16.7411 -1034.9481 163.0511 0.0000 2802.8234 6530.0273 309.5797 3727.2039 6563.7746 303.7200 PRESSURE: 381800 0 0 0 0 0 0 0 0 0 GPRESSURE: 381800 0 0 0 0 0 0 0 0 0 PRESSAVG: 381800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381800 0 0 0 0 0 0 0 0 0 TIMING: 381800 CPU: 1521.41, 0.00397984/step Wall: 1521.41, 0.00397985/step, 0.130672 hours remaining, 109.652344 MB of memory in use. ENERGY: 381800 681.6473 1840.4371 2051.4426 108.0261 -15.2001 -1053.0489 165.1522 0.0000 2733.3978 6511.8540 301.9114 3778.4562 6547.4924 302.0835 PRESSURE: 381900 0 0 0 0 0 0 0 0 0 GPRESSURE: 381900 0 0 0 0 0 0 0 0 0 PRESSAVG: 381900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 381900 0 0 0 0 0 0 0 0 0 TIMING: 381900 CPU: 1521.81, 0.00397217/step Wall: 1521.81, 0.00397217/step, 0.130309 hours remaining, 109.652344 MB of memory in use. ENERGY: 381900 672.4866 1863.5680 2053.8529 104.1810 -15.6440 -1035.8816 156.7140 0.0000 2732.1710 6531.4481 301.7759 3799.2770 6563.5036 302.5434 PRESSURE: 382000 0 0 0 0 0 0 0 0 0 GPRESSURE: 382000 0 0 0 0 0 0 0 0 0 PRESSAVG: 382000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382000 0 0 0 0 0 0 0 0 0 TIMING: 382000 CPU: 1522.21, 0.00397182/step Wall: 1522.21, 0.00397182/step, 0.130187 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 382000 665.7086 1928.1469 2055.2869 110.1876 -15.4147 -1063.9576 154.3686 0.0000 2752.2947 6586.6209 303.9986 3834.3263 6618.4919 303.8200 PRESSURE: 382100 0 0 0 0 0 0 0 0 0 GPRESSURE: 382100 0 0 0 0 0 0 0 0 0 PRESSAVG: 382100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382100 0 0 0 0 0 0 0 0 0 TIMING: 382100 CPU: 1522.6, 0.00398055/step Wall: 1522.6, 0.00398055/step, 0.130363 hours remaining, 109.652344 MB of memory in use. ENERGY: 382100 670.3778 1915.1084 2005.4100 106.9544 -14.8745 -1048.8361 171.2506 0.0000 2773.7786 6579.1692 306.3716 3805.3905 6613.7641 305.8082 PRESSURE: 382200 0 0 0 0 0 0 0 0 0 GPRESSURE: 382200 0 0 0 0 0 0 0 0 0 PRESSAVG: 382200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382200 0 0 0 0 0 0 0 0 0 TIMING: 382200 CPU: 1523, 0.00397054/step Wall: 1523, 0.00397054/step, 0.129925 hours remaining, 109.652344 MB of memory in use. ENERGY: 382200 659.7918 1889.9533 2036.9551 100.9347 -15.5660 -1062.1717 172.7822 0.0000 2773.3652 6556.0445 306.3259 3782.6793 6590.0526 304.2563 PRESSURE: 382300 0 0 0 0 0 0 0 0 0 GPRESSURE: 382300 0 0 0 0 0 0 0 0 0 PRESSAVG: 382300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382300 0 0 0 0 0 0 0 0 0 TIMING: 382300 CPU: 1523.4, 0.00397255/step Wall: 1523.4, 0.00397255/step, 0.12988 hours remaining, 109.652344 MB of memory in use. ENERGY: 382300 652.1291 1923.9359 2063.7903 106.1112 -15.0824 -1069.2265 166.9336 0.0000 2715.1842 6543.7753 299.8997 3828.5911 6575.0717 305.4962 PRESSURE: 382400 0 0 0 0 0 0 0 0 0 GPRESSURE: 382400 0 0 0 0 0 0 0 0 0 PRESSAVG: 382400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382400 0 0 0 0 0 0 0 0 0 TIMING: 382400 CPU: 1523.8, 0.00398095/step Wall: 1523.8, 0.00398095/step, 0.130044 hours remaining, 109.652344 MB of memory in use. ENERGY: 382400 646.6023 1875.2615 2007.3401 104.4780 -16.0233 -1019.3438 154.3750 0.0000 2763.6022 6516.2922 305.2476 3752.6899 6547.7961 302.1423 PRESSURE: 382500 0 0 0 0 0 0 0 0 0 GPRESSURE: 382500 0 0 0 0 0 0 0 0 0 PRESSAVG: 382500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382500 0 0 0 0 0 0 0 0 0 TIMING: 382500 CPU: 1524.19, 0.00396912/step Wall: 1524.19, 0.00396912/step, 0.129548 hours remaining, 109.652344 MB of memory in use. ENERGY: 382500 655.3915 1886.7742 2048.7318 103.8275 -15.6969 -1072.7965 175.1719 0.0000 2679.2082 6460.6117 295.9260 3781.4035 6491.7728 301.7960 PRESSURE: 382600 0 0 0 0 0 0 0 0 0 GPRESSURE: 382600 0 0 0 0 0 0 0 0 0 PRESSAVG: 382600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382600 0 0 0 0 0 0 0 0 0 TIMING: 382600 CPU: 1524.59, 0.00398133/step Wall: 1524.59, 0.00398133/step, 0.129836 hours remaining, 109.652344 MB of memory in use. ENERGY: 382600 672.3124 1892.4476 1992.1974 94.2914 -15.5889 -1043.2446 176.3087 0.0000 2683.1037 6451.8277 296.3563 3768.7239 6479.3851 298.3210 PRESSURE: 382700 0 0 0 0 0 0 0 0 0 GPRESSURE: 382700 0 0 0 0 0 0 0 0 0 PRESSAVG: 382700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382700 0 0 0 0 0 0 0 0 0 TIMING: 382700 CPU: 1524.99, 0.00397277/step Wall: 1524.99, 0.00397277/step, 0.129446 hours remaining, 109.652344 MB of memory in use. ENERGY: 382700 662.7755 1882.2832 2026.2973 98.8280 -16.2691 -1048.1294 160.0664 0.0000 2682.9298 6448.7817 296.3371 3765.8519 6479.9425 297.0757 PRESSURE: 382800 0 0 0 0 0 0 0 0 0 GPRESSURE: 382800 0 0 0 0 0 0 0 0 0 PRESSAVG: 382800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382800 0 0 0 0 0 0 0 0 0 TIMING: 382800 CPU: 1525.39, 0.00397287/step Wall: 1525.39, 0.00397287/step, 0.129339 hours remaining, 109.652344 MB of memory in use. ENERGY: 382800 646.6385 1903.5889 2033.0795 111.4069 -16.2081 -1054.1684 159.5423 0.0000 2651.1163 6434.9957 292.8232 3783.8794 6467.7548 297.1439 PRESSURE: 382900 0 0 0 0 0 0 0 0 0 GPRESSURE: 382900 0 0 0 0 0 0 0 0 0 PRESSAVG: 382900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 382900 0 0 0 0 0 0 0 0 0 TIMING: 382900 CPU: 1525.78, 0.0039802/step Wall: 1525.78, 0.00398019/step, 0.129467 hours remaining, 109.652344 MB of memory in use. ENERGY: 382900 660.6272 1828.5326 2031.4232 100.3994 -15.5409 -1069.4344 155.2724 0.0000 2692.8549 6384.1344 297.4333 3691.2795 6418.4003 296.1255 PRESSURE: 383000 0 0 0 0 0 0 0 0 0 GPRESSURE: 383000 0 0 0 0 0 0 0 0 0 PRESSAVG: 383000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383000 0 0 0 0 0 0 0 0 0 TIMING: 383000 CPU: 1526.18, 0.00397004/step Wall: 1526.18, 0.00397005/step, 0.129027 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 383000 647.2007 1913.2514 2029.0751 103.6000 -15.8101 -1086.6219 167.1729 0.0000 2659.2468 6417.1150 293.7212 3757.8682 6449.1535 295.5105 PRESSURE: 383100 0 0 0 0 0 0 0 0 0 GPRESSURE: 383100 0 0 0 0 0 0 0 0 0 PRESSAVG: 383100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383100 0 0 0 0 0 0 0 0 0 TIMING: 383100 CPU: 1526.58, 0.00398022/step Wall: 1526.58, 0.00398022/step, 0.129247 hours remaining, 109.652344 MB of memory in use. ENERGY: 383100 665.7894 1867.9332 2001.8307 104.9876 -16.1803 -1053.6033 167.7699 0.0000 2698.6561 6437.1833 298.0741 3738.5273 6470.6121 297.1872 PRESSURE: 383200 0 0 0 0 0 0 0 0 0 GPRESSURE: 383200 0 0 0 0 0 0 0 0 0 PRESSAVG: 383200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383200 0 0 0 0 0 0 0 0 0 TIMING: 383200 CPU: 1526.98, 0.00396963/step Wall: 1526.98, 0.00396963/step, 0.128792 hours remaining, 109.652344 MB of memory in use. ENERGY: 383200 651.8495 1887.1414 1994.2158 99.2788 -16.3271 -1048.3014 156.3513 0.0000 2703.1292 6427.3375 298.5682 3724.2083 6461.2551 298.4101 PRESSURE: 383300 0 0 0 0 0 0 0 0 0 GPRESSURE: 383300 0 0 0 0 0 0 0 0 0 PRESSAVG: 383300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383300 0 0 0 0 0 0 0 0 0 TIMING: 383300 CPU: 1527.37, 0.00397241/step Wall: 1527.37, 0.00397241/step, 0.128772 hours remaining, 109.652344 MB of memory in use. ENERGY: 383300 622.3537 1841.0807 2038.8405 108.3469 -15.7898 -1030.7374 176.4542 0.0000 2695.6224 6436.1713 297.7390 3740.5489 6468.4154 297.1402 PRESSURE: 383400 0 0 0 0 0 0 0 0 0 GPRESSURE: 383400 0 0 0 0 0 0 0 0 0 PRESSAVG: 383400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383400 0 0 0 0 0 0 0 0 0 TIMING: 383400 CPU: 1527.77, 0.00397959/step Wall: 1527.77, 0.00397958/step, 0.128894 hours remaining, 109.652344 MB of memory in use. ENERGY: 383400 650.3698 1862.1832 2012.5697 96.5992 -16.6561 -1082.2650 167.2714 0.0000 2765.2007 6455.2729 305.4241 3690.0722 6488.8496 298.1844 PRESSURE: 383500 0 0 0 0 0 0 0 0 0 GPRESSURE: 383500 0 0 0 0 0 0 0 0 0 PRESSAVG: 383500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383500 0 0 0 0 0 0 0 0 0 TIMING: 383500 CPU: 1528.17, 0.00397162/step Wall: 1528.17, 0.00397163/step, 0.128526 hours remaining, 109.652344 MB of memory in use. ENERGY: 383500 664.9752 1937.9408 1994.1711 106.7879 -15.3418 -1069.8320 168.1413 0.0000 2659.5862 6446.4287 293.7587 3786.8425 6475.2236 299.9578 PRESSURE: 383600 0 0 0 0 0 0 0 0 0 GPRESSURE: 383600 0 0 0 0 0 0 0 0 0 PRESSAVG: 383600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383600 0 0 0 0 0 0 0 0 0 TIMING: 383600 CPU: 1528.57, 0.00398065/step Wall: 1528.57, 0.00398065/step, 0.128708 hours remaining, 109.652344 MB of memory in use. ENERGY: 383600 669.9455 1922.0179 2006.9171 102.7415 -16.0312 -1076.0392 151.6575 0.0000 2734.1044 6495.3136 301.9894 3761.2092 6528.9784 299.2763 PRESSURE: 383700 0 0 0 0 0 0 0 0 0 GPRESSURE: 383700 0 0 0 0 0 0 0 0 0 PRESSAVG: 383700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383700 0 0 0 0 0 0 0 0 0 TIMING: 383700 CPU: 1528.96, 0.00397241/step Wall: 1528.96, 0.0039724/step, 0.128331 hours remaining, 109.652344 MB of memory in use. ENERGY: 383700 657.1973 1907.8216 2013.0480 96.9684 -14.6763 -1060.2494 159.6684 0.0000 2710.2832 6470.0613 299.3583 3759.7781 6503.8046 300.9865 PRESSURE: 383800 0 0 0 0 0 0 0 0 0 GPRESSURE: 383800 0 0 0 0 0 0 0 0 0 PRESSAVG: 383800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383800 0 0 0 0 0 0 0 0 0 TIMING: 383800 CPU: 1529.36, 0.00397288/step Wall: 1529.36, 0.00397289/step, 0.128236 hours remaining, 109.652344 MB of memory in use. ENERGY: 383800 679.7648 1912.1257 1977.6315 100.4459 -16.0290 -1062.3077 161.1483 0.0000 2717.2515 6470.0310 300.1280 3752.7795 6503.7997 299.3640 PRESSURE: 383900 0 0 0 0 0 0 0 0 0 GPRESSURE: 383900 0 0 0 0 0 0 0 0 0 PRESSAVG: 383900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 383900 0 0 0 0 0 0 0 0 0 TIMING: 383900 CPU: 1529.76, 0.00398209/step Wall: 1529.76, 0.00398209/step, 0.128422 hours remaining, 109.652344 MB of memory in use. ENERGY: 383900 665.6179 1882.5046 2007.0306 103.9276 -15.8747 -1045.2957 154.6496 0.0000 2737.8889 6490.4488 302.4075 3752.5599 6526.8373 299.2996 PRESSURE: 384000 0 0 0 0 0 0 0 0 0 GPRESSURE: 384000 0 0 0 0 0 0 0 0 0 PRESSAVG: 384000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384000 0 0 0 0 0 0 0 0 0 TIMING: 384000 CPU: 1530.16, 0.00397156/step Wall: 1530.16, 0.00397156/step, 0.127972 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 384000 648.8684 1912.8030 2018.2895 116.0313 -16.7078 -1006.1518 155.6625 0.0000 2691.5310 6520.3261 297.2871 3828.7951 6551.3184 301.5842 PRESSURE: 384100 0 0 0 0 0 0 0 0 0 GPRESSURE: 384100 0 0 0 0 0 0 0 0 0 PRESSAVG: 384100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384100 0 0 0 0 0 0 0 0 0 TIMING: 384100 CPU: 1530.55, 0.00398224/step Wall: 1530.55, 0.00398224/step, 0.128206 hours remaining, 109.652344 MB of memory in use. ENERGY: 384100 654.5241 1885.5397 2031.3287 100.2177 -15.2128 -1064.1121 161.7231 0.0000 2761.9088 6515.9171 305.0605 3754.0083 6547.3763 302.8424 PRESSURE: 384200 0 0 0 0 0 0 0 0 0 GPRESSURE: 384200 0 0 0 0 0 0 0 0 0 PRESSAVG: 384200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384200 0 0 0 0 0 0 0 0 0 TIMING: 384200 CPU: 1530.95, 0.00396936/step Wall: 1530.95, 0.00396936/step, 0.127681 hours remaining, 109.652344 MB of memory in use. ENERGY: 384200 657.3446 1895.8978 2015.1357 99.0740 -15.1341 -1026.5947 175.7177 0.0000 2719.7632 6521.2043 300.4054 3801.4411 6553.5231 301.9740 LDB: ============= START OF LOAD BALANCING ============== 1533.73 LDB: ============== END OF LOAD BALANCING =============== 1533.73 LDB: =============== DONE WITH MIGRATION ================ 1533.73 PRESSURE: 384300 0 0 0 0 0 0 0 0 0 GPRESSURE: 384300 0 0 0 0 0 0 0 0 0 PRESSAVG: 384300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384300 0 0 0 0 0 0 0 0 0 TIMING: 384300 CPU: 1531.35, 0.00397499/step Wall: 1531.35, 0.00397499/step, 0.127752 hours remaining, 109.652344 MB of memory in use. ENERGY: 384300 679.6006 1914.3436 1997.2455 100.1131 -16.1684 -1022.0254 167.1331 0.0000 2709.1441 6529.3861 299.2325 3820.2421 6559.8429 302.1490 LDB: ============= START OF LOAD BALANCING ============== 1534.13 LDB: ============== END OF LOAD BALANCING =============== 1534.13 LDB: =============== DONE WITH MIGRATION ================ 1534.13 PRESSURE: 384400 0 0 0 0 0 0 0 0 0 GPRESSURE: 384400 0 0 0 0 0 0 0 0 0 PRESSAVG: 384400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384400 0 0 0 0 0 0 0 0 0 TIMING: 384400 CPU: 1531.75, 0.00399288/step Wall: 1531.75, 0.00399288/step, 0.128216 hours remaining, 109.652344 MB of memory in use. ENERGY: 384400 622.6792 1884.7405 1997.6161 98.8783 -16.2495 -1001.2706 146.8761 0.0000 2774.3562 6507.6264 306.4354 3733.2702 6543.9966 302.1358 PRESSURE: 384500 0 0 0 0 0 0 0 0 0 GPRESSURE: 384500 0 0 0 0 0 0 0 0 0 PRESSAVG: 384500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384500 0 0 0 0 0 0 0 0 0 TIMING: 384500 CPU: 1532.15, 0.00397187/step Wall: 1532.15, 0.00397187/step, 0.127431 hours remaining, 109.652344 MB of memory in use. ENERGY: 384500 676.4879 1889.4221 2016.9703 104.4805 -16.0645 -1035.0920 150.2068 0.0000 2730.1281 6516.5392 301.5503 3786.4111 6552.1562 303.3276 PRESSURE: 384600 0 0 0 0 0 0 0 0 0 GPRESSURE: 384600 0 0 0 0 0 0 0 0 0 PRESSAVG: 384600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384600 0 0 0 0 0 0 0 0 0 TIMING: 384600 CPU: 1532.54, 0.00398236/step Wall: 1532.54, 0.00398236/step, 0.127657 hours remaining, 109.652344 MB of memory in use. ENERGY: 384600 667.6448 1916.0741 2008.1887 109.3758 -14.9127 -1042.1175 167.0248 0.0000 2725.9789 6537.2567 301.0920 3811.2778 6571.5871 302.8598 PRESSURE: 384700 0 0 0 0 0 0 0 0 0 GPRESSURE: 384700 0 0 0 0 0 0 0 0 0 PRESSAVG: 384700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384700 0 0 0 0 0 0 0 0 0 TIMING: 384700 CPU: 1532.94, 0.00397322/step Wall: 1532.94, 0.00397322/step, 0.127253 hours remaining, 109.652344 MB of memory in use. ENERGY: 384700 623.6595 1867.0928 2024.9101 117.7667 -16.0937 -1051.3373 175.3891 0.0000 2734.2583 6475.6455 302.0064 3741.3872 6510.4595 303.0038 PRESSURE: 384800 0 0 0 0 0 0 0 0 0 GPRESSURE: 384800 0 0 0 0 0 0 0 0 0 PRESSAVG: 384800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384800 0 0 0 0 0 0 0 0 0 TIMING: 384800 CPU: 1533.34, 0.00397292/step Wall: 1533.34, 0.00397292/step, 0.127133 hours remaining, 109.652344 MB of memory in use. ENERGY: 384800 643.2376 1875.2701 2035.1157 109.8278 -15.7241 -1009.1518 143.6928 0.0000 2700.5833 6482.8513 298.2869 3782.2681 6515.2310 299.8324 PRESSURE: 384900 0 0 0 0 0 0 0 0 0 GPRESSURE: 384900 0 0 0 0 0 0 0 0 0 PRESSAVG: 384900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 384900 0 0 0 0 0 0 0 0 0 TIMING: 384900 CPU: 1533.74, 0.00398054/step Wall: 1533.74, 0.00398054/step, 0.127267 hours remaining, 109.652344 MB of memory in use. ENERGY: 384900 678.8143 1908.2344 2036.7933 104.8506 -14.9692 -1083.5360 173.7367 0.0000 2658.1516 6462.0758 293.6003 3803.9241 6495.9172 300.0921 PRESSURE: 385000 0 0 0 0 0 0 0 0 0 GPRESSURE: 385000 0 0 0 0 0 0 0 0 0 PRESSAVG: 385000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385000 0 0 0 0 0 0 0 0 0 TIMING: 385000 CPU: 1534.13, 0.00397045/step Wall: 1534.13, 0.00397045/step, 0.126834 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 385000 626.3705 1860.7248 2017.7437 111.3110 -15.2624 -1064.5375 168.4898 0.0000 2727.6620 6432.5018 301.2779 3704.8398 6466.8091 297.8841 PRESSURE: 385100 0 0 0 0 0 0 0 0 0 GPRESSURE: 385100 0 0 0 0 0 0 0 0 0 PRESSAVG: 385100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385100 0 0 0 0 0 0 0 0 0 TIMING: 385100 CPU: 1534.53, 0.00398249/step Wall: 1534.53, 0.00398249/step, 0.127108 hours remaining, 109.652344 MB of memory in use. ENERGY: 385100 636.4935 1908.8884 2012.0901 98.7641 -15.4639 -1056.5044 162.1362 0.0000 2688.0987 6434.5027 296.9080 3746.4040 6468.8933 298.2369 PRESSURE: 385200 0 0 0 0 0 0 0 0 0 GPRESSURE: 385200 0 0 0 0 0 0 0 0 0 PRESSAVG: 385200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385200 0 0 0 0 0 0 0 0 0 TIMING: 385200 CPU: 1534.93, 0.00397029/step Wall: 1534.93, 0.00397029/step, 0.126608 hours remaining, 109.652344 MB of memory in use. ENERGY: 385200 653.2243 1894.8928 2008.0436 110.7233 -15.2948 -1069.1488 169.7184 0.0000 2677.3752 6429.5340 295.7235 3752.1588 6462.1700 296.6907 PRESSURE: 385300 0 0 0 0 0 0 0 0 0 GPRESSURE: 385300 0 0 0 0 0 0 0 0 0 PRESSAVG: 385300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385300 0 0 0 0 0 0 0 0 0 TIMING: 385300 CPU: 1535.33, 0.0039703/step Wall: 1535.33, 0.0039703/step, 0.126498 hours remaining, 109.652344 MB of memory in use. ENERGY: 385300 653.3502 1900.5792 2011.2805 95.2258 -16.7293 -1053.0177 171.8971 0.0000 2706.5595 6469.1453 298.9470 3762.5858 6499.3643 297.6828 PRESSURE: 385400 0 0 0 0 0 0 0 0 0 GPRESSURE: 385400 0 0 0 0 0 0 0 0 0 PRESSAVG: 385400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385400 0 0 0 0 0 0 0 0 0 TIMING: 385400 CPU: 1535.72, 0.00398/step Wall: 1535.72, 0.00398/step, 0.126697 hours remaining, 109.652344 MB of memory in use. ENERGY: 385400 637.0309 1876.2266 2038.9078 105.5912 -16.4709 -1078.4011 159.1488 0.0000 2715.0798 6437.1132 299.8881 3722.0333 6470.1284 298.7007 PRESSURE: 385500 0 0 0 0 0 0 0 0 0 GPRESSURE: 385500 0 0 0 0 0 0 0 0 0 PRESSAVG: 385500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385500 0 0 0 0 0 0 0 0 0 TIMING: 385500 CPU: 1536.12, 0.00397058/step Wall: 1536.12, 0.00397058/step, 0.126287 hours remaining, 109.652344 MB of memory in use. ENERGY: 385500 677.9193 1857.4831 2029.3392 88.3547 -14.8081 -1075.2707 159.4187 0.0000 2725.5166 6447.9528 301.0409 3722.4362 6481.9637 298.5855 PRESSURE: 385600 0 0 0 0 0 0 0 0 0 GPRESSURE: 385600 0 0 0 0 0 0 0 0 0 PRESSAVG: 385600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385600 0 0 0 0 0 0 0 0 0 TIMING: 385600 CPU: 1536.52, 0.00398043/step Wall: 1536.52, 0.00398043/step, 0.126489 hours remaining, 109.652344 MB of memory in use. ENERGY: 385600 655.3401 1872.1824 2009.7685 97.9292 -15.2254 -1062.4291 178.6638 0.0000 2676.6257 6412.8553 295.6408 3736.2296 6443.9868 298.3874 PRESSURE: 385700 0 0 0 0 0 0 0 0 0 GPRESSURE: 385700 0 0 0 0 0 0 0 0 0 PRESSAVG: 385700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385700 0 0 0 0 0 0 0 0 0 TIMING: 385700 CPU: 1536.92, 0.00397142/step Wall: 1536.92, 0.00397142/step, 0.126093 hours remaining, 109.652344 MB of memory in use. ENERGY: 385700 622.8078 1875.4567 2013.4935 100.9349 -14.0129 -1041.1197 166.9494 0.0000 2652.6040 6377.1136 292.9875 3724.5096 6409.2157 295.1384 PRESSURE: 385800 0 0 0 0 0 0 0 0 0 GPRESSURE: 385800 0 0 0 0 0 0 0 0 0 PRESSAVG: 385800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385800 0 0 0 0 0 0 0 0 0 TIMING: 385800 CPU: 1537.31, 0.00397344/step Wall: 1537.31, 0.00397344/step, 0.126046 hours remaining, 109.652344 MB of memory in use. ENERGY: 385800 643.7741 1877.8349 1997.3718 94.5075 -15.9563 -1076.0559 166.5741 0.0000 2701.9690 6390.0192 298.4400 3688.0502 6423.0565 294.9928 PRESSURE: 385900 0 0 0 0 0 0 0 0 0 GPRESSURE: 385900 0 0 0 0 0 0 0 0 0 PRESSAVG: 385900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 385900 0 0 0 0 0 0 0 0 0 TIMING: 385900 CPU: 1537.71, 0.00398244/step Wall: 1537.71, 0.00398244/step, 0.126221 hours remaining, 109.652344 MB of memory in use. ENERGY: 385900 653.5232 1837.7843 2013.0245 99.4008 -15.5277 -1010.5980 161.1895 0.0000 2698.3606 6437.1574 298.0414 3738.7968 6468.4432 296.9709 PRESSURE: 386000 0 0 0 0 0 0 0 0 0 GPRESSURE: 386000 0 0 0 0 0 0 0 0 0 PRESSAVG: 386000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386000 0 0 0 0 0 0 0 0 0 TIMING: 386000 CPU: 1538.11, 0.00397224/step Wall: 1538.11, 0.00397223/step, 0.125787 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 386000 641.1771 1878.1950 2001.4382 116.5587 -15.7611 -1054.2917 173.6447 0.0000 2716.2151 6457.1761 300.0135 3740.9610 6490.0981 299.2552 PRESSURE: 386100 0 0 0 0 0 0 0 0 0 GPRESSURE: 386100 0 0 0 0 0 0 0 0 0 PRESSAVG: 386100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386100 0 0 0 0 0 0 0 0 0 TIMING: 386100 CPU: 1538.51, 0.00398166/step Wall: 1538.51, 0.00398167/step, 0.125976 hours remaining, 109.652344 MB of memory in use. ENERGY: 386100 674.3880 1890.7472 2007.9401 106.3345 -16.2855 -1037.0753 154.2986 0.0000 2697.8071 6478.1547 297.9803 3780.3476 6512.3108 299.3865 PRESSURE: 386200 0 0 0 0 0 0 0 0 0 GPRESSURE: 386200 0 0 0 0 0 0 0 0 0 PRESSAVG: 386200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386200 0 0 0 0 0 0 0 0 0 TIMING: 386200 CPU: 1538.9, 0.00397245/step Wall: 1538.9, 0.00397245/step, 0.125574 hours remaining, 109.652344 MB of memory in use. ENERGY: 386200 651.7928 1882.4196 2005.9103 117.4288 -15.7110 -1050.2541 159.1406 0.0000 2757.4206 6508.1477 304.5648 3750.7271 6541.2436 302.3559 PRESSURE: 386300 0 0 0 0 0 0 0 0 0 GPRESSURE: 386300 0 0 0 0 0 0 0 0 0 PRESSAVG: 386300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386300 0 0 0 0 0 0 0 0 0 TIMING: 386300 CPU: 1539.3, 0.00397333/step Wall: 1539.3, 0.00397333/step, 0.125491 hours remaining, 109.652344 MB of memory in use. ENERGY: 386300 693.9743 1892.9520 2031.3828 108.4502 -16.4293 -1060.0921 155.1421 0.0000 2690.3489 6495.7287 297.1565 3805.3798 6527.2219 302.0573 PRESSURE: 386400 0 0 0 0 0 0 0 0 0 GPRESSURE: 386400 0 0 0 0 0 0 0 0 0 PRESSAVG: 386400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386400 0 0 0 0 0 0 0 0 0 TIMING: 386400 CPU: 1539.7, 0.00398334/step Wall: 1539.7, 0.00398334/step, 0.125697 hours remaining, 109.652344 MB of memory in use. ENERGY: 386400 661.2843 1903.8162 2005.0215 104.8911 -14.7207 -1069.2811 154.1485 0.0000 2749.8792 6495.0391 303.7318 3745.1598 6528.2424 300.8442 PRESSURE: 386500 0 0 0 0 0 0 0 0 0 GPRESSURE: 386500 0 0 0 0 0 0 0 0 0 PRESSAVG: 386500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386500 0 0 0 0 0 0 0 0 0 TIMING: 386500 CPU: 1540.1, 0.00397143/step Wall: 1540.1, 0.00397143/step, 0.12521 hours remaining, 109.652344 MB of memory in use. ENERGY: 386500 656.4198 1840.6201 2006.4126 100.6178 -14.5785 -1042.3532 157.7684 0.0000 2783.0529 6487.9600 307.3959 3704.9071 6525.3732 302.6334 PRESSURE: 386600 0 0 0 0 0 0 0 0 0 GPRESSURE: 386600 0 0 0 0 0 0 0 0 0 PRESSAVG: 386600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386600 0 0 0 0 0 0 0 0 0 TIMING: 386600 CPU: 1540.49, 0.0039819/step Wall: 1540.49, 0.0039819/step, 0.12543 hours remaining, 109.652344 MB of memory in use. ENERGY: 386600 656.9287 1909.7325 2002.3981 108.4969 -15.7725 -1054.9644 167.7647 0.0000 2692.5871 6467.1711 297.4037 3774.5839 6499.6413 302.1836 PRESSURE: 386700 0 0 0 0 0 0 0 0 0 GPRESSURE: 386700 0 0 0 0 0 0 0 0 0 PRESSAVG: 386700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386700 0 0 0 0 0 0 0 0 0 TIMING: 386700 CPU: 1540.89, 0.00397072/step Wall: 1540.89, 0.00397072/step, 0.124967 hours remaining, 109.652344 MB of memory in use. ENERGY: 386700 668.7034 1904.1844 2022.6817 115.3568 -15.4259 -1062.5251 160.9496 0.0000 2680.0742 6473.9991 296.0217 3793.9248 6508.5124 299.5097 PRESSURE: 386800 0 0 0 0 0 0 0 0 0 GPRESSURE: 386800 0 0 0 0 0 0 0 0 0 PRESSAVG: 386800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386800 0 0 0 0 0 0 0 0 0 TIMING: 386800 CPU: 1541.29, 0.00397167/step Wall: 1541.29, 0.00397167/step, 0.124887 hours remaining, 109.652344 MB of memory in use. ENERGY: 386800 675.0723 1883.5048 2012.8675 101.5660 -15.1035 -1062.9325 165.0220 0.0000 2702.0862 6462.0827 298.4529 3759.9966 6494.7472 300.2471 PRESSURE: 386900 0 0 0 0 0 0 0 0 0 GPRESSURE: 386900 0 0 0 0 0 0 0 0 0 PRESSAVG: 386900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 386900 0 0 0 0 0 0 0 0 0 TIMING: 386900 CPU: 1541.69, 0.00398142/step Wall: 1541.69, 0.00398142/step, 0.125083 hours remaining, 109.652344 MB of memory in use. ENERGY: 386900 651.0461 1846.1182 2008.5157 101.4034 -15.9491 -1050.0136 161.9386 0.0000 2741.6514 6444.7108 302.8230 3703.0594 6479.8329 298.3103 PRESSURE: 387000 0 0 0 0 0 0 0 0 0 GPRESSURE: 387000 0 0 0 0 0 0 0 0 0 PRESSAVG: 387000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387000 0 0 0 0 0 0 0 0 0 TIMING: 387000 CPU: 1542.08, 0.00397358/step Wall: 1542.08, 0.00397358/step, 0.124726 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 387000 632.0290 1899.1417 1985.8798 102.1553 -14.7928 -1054.8465 167.4904 0.0000 2731.3684 6448.4253 301.6873 3717.0569 6482.4520 298.9692 PRESSURE: 387100 0 0 0 0 0 0 0 0 0 GPRESSURE: 387100 0 0 0 0 0 0 0 0 0 PRESSAVG: 387100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387100 0 0 0 0 0 0 0 0 0 TIMING: 387100 CPU: 1542.48, 0.00398496/step Wall: 1542.48, 0.00398496/step, 0.124973 hours remaining, 109.652344 MB of memory in use. ENERGY: 387100 648.1824 1863.8340 2019.0361 109.2907 -15.1963 -1024.0433 150.9100 0.0000 2654.4805 6406.4941 293.1948 3752.0136 6439.2362 297.5019 PRESSURE: 387200 0 0 0 0 0 0 0 0 0 GPRESSURE: 387200 0 0 0 0 0 0 0 0 0 PRESSAVG: 387200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387200 0 0 0 0 0 0 0 0 0 TIMING: 387200 CPU: 1542.88, 0.0039721/step Wall: 1542.88, 0.0039721/step, 0.124459 hours remaining, 109.652344 MB of memory in use. ENERGY: 387200 663.0226 1852.6200 2025.5643 111.5940 -14.4916 -1051.4466 168.5904 0.0000 2626.8460 6382.2992 290.1425 3755.4532 6414.8625 296.4290 PRESSURE: 387300 0 0 0 0 0 0 0 0 0 GPRESSURE: 387300 0 0 0 0 0 0 0 0 0 PRESSAVG: 387300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387300 0 0 0 0 0 0 0 0 0 TIMING: 387300 CPU: 1543.28, 0.00397389/step Wall: 1543.28, 0.00397389/step, 0.124405 hours remaining, 109.652344 MB of memory in use. ENERGY: 387300 672.3031 1858.0092 2015.8030 112.7966 -13.8415 -1067.4007 163.4151 0.0000 2619.4508 6360.5358 289.3256 3741.0850 6390.3277 294.0643 PRESSURE: 387400 0 0 0 0 0 0 0 0 0 GPRESSURE: 387400 0 0 0 0 0 0 0 0 0 PRESSAVG: 387400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387400 0 0 0 0 0 0 0 0 0 TIMING: 387400 CPU: 1543.68, 0.00398909/step Wall: 1543.68, 0.00398909/step, 0.12477 hours remaining, 109.652344 MB of memory in use. ENERGY: 387400 643.2713 1825.8925 2003.2443 102.3853 -15.1406 -1055.3885 160.4682 0.0000 2690.9019 6355.6343 297.2176 3664.7324 6388.6629 292.9302 PRESSURE: 387500 0 0 0 0 0 0 0 0 0 GPRESSURE: 387500 0 0 0 0 0 0 0 0 0 PRESSAVG: 387500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387500 0 0 0 0 0 0 0 0 0 TIMING: 387500 CPU: 1544.07, 0.00397179/step Wall: 1544.07, 0.00397179/step, 0.124118 hours remaining, 109.652344 MB of memory in use. ENERGY: 387500 653.2286 1839.3793 2028.9259 102.8862 -14.8814 -1094.0578 155.2145 0.0000 2659.5962 6330.2917 293.7598 3670.6954 6361.0136 292.2698 PRESSURE: 387600 0 0 0 0 0 0 0 0 0 GPRESSURE: 387600 0 0 0 0 0 0 0 0 0 PRESSAVG: 387600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387600 0 0 0 0 0 0 0 0 0 TIMING: 387600 CPU: 1544.47, 0.00398723/step Wall: 1544.47, 0.00398722/step, 0.12449 hours remaining, 109.652344 MB of memory in use. ENERGY: 387600 664.5794 1763.3704 2036.0201 101.6278 -14.8709 -1073.3841 151.9983 0.0000 2660.3650 6289.7060 293.8447 3629.3410 6324.8347 290.4292 PRESSURE: 387700 0 0 0 0 0 0 0 0 0 GPRESSURE: 387700 0 0 0 0 0 0 0 0 0 PRESSAVG: 387700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387700 0 0 0 0 0 0 0 0 0 TIMING: 387700 CPU: 1544.87, 0.00397302/step Wall: 1544.87, 0.00397303/step, 0.123936 hours remaining, 109.652344 MB of memory in use. ENERGY: 387700 649.5932 1838.1220 2003.5863 96.5473 -14.2160 -1058.9527 176.2057 0.0000 2661.9379 6352.8237 294.0185 3690.8857 6383.6446 292.0012 PRESSURE: 387800 0 0 0 0 0 0 0 0 0 GPRESSURE: 387800 0 0 0 0 0 0 0 0 0 PRESSAVG: 387800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387800 0 0 0 0 0 0 0 0 0 TIMING: 387800 CPU: 1545.27, 0.00397672/step Wall: 1545.27, 0.00397672/step, 0.123941 hours remaining, 109.652344 MB of memory in use. ENERGY: 387800 628.3850 1868.3706 2018.3409 103.4741 -13.9476 -1065.1498 182.9094 0.0000 2598.6716 6321.0542 287.0305 3722.3826 6355.6889 292.4681 PRESSURE: 387900 0 0 0 0 0 0 0 0 0 GPRESSURE: 387900 0 0 0 0 0 0 0 0 0 PRESSAVG: 387900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 387900 0 0 0 0 0 0 0 0 0 TIMING: 387900 CPU: 1545.67, 0.00398717/step Wall: 1545.67, 0.00398716/step, 0.124156 hours remaining, 109.652344 MB of memory in use. ENERGY: 387900 625.7132 1869.8213 2028.9914 108.4157 -15.1659 -1068.6403 163.5005 0.0000 2633.7693 6346.4053 290.9072 3712.6360 6378.5230 292.1813 PRESSURE: 388000 0 0 0 0 0 0 0 0 0 GPRESSURE: 388000 0 0 0 0 0 0 0 0 0 PRESSAVG: 388000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388000 0 0 0 0 0 0 0 0 0 TIMING: 388000 CPU: 1546.06, 0.00397233/step Wall: 1546.06, 0.00397234/step, 0.123584 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 388000 654.3639 1833.5022 2023.3140 93.9224 -15.7688 -1034.7936 149.6453 0.0000 2654.0411 6358.2265 293.1462 3704.1854 6390.3327 293.7092 PRESSURE: 388100 0 0 0 0 0 0 0 0 0 GPRESSURE: 388100 0 0 0 0 0 0 0 0 0 PRESSAVG: 388100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388100 0 0 0 0 0 0 0 0 0 TIMING: 388100 CPU: 1546.46, 0.00398626/step Wall: 1546.46, 0.00398626/step, 0.123906 hours remaining, 109.652344 MB of memory in use. ENERGY: 388100 654.7346 1872.6207 2027.9305 112.0130 -16.3133 -1078.9316 168.3974 0.0000 2619.3757 6359.8270 289.3173 3740.4513 6392.2505 293.5123 PRESSURE: 388200 0 0 0 0 0 0 0 0 0 GPRESSURE: 388200 0 0 0 0 0 0 0 0 0 PRESSAVG: 388200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388200 0 0 0 0 0 0 0 0 0 TIMING: 388200 CPU: 1546.86, 0.00397172/step Wall: 1546.86, 0.00397172/step, 0.123344 hours remaining, 109.652344 MB of memory in use. ENERGY: 388200 639.9729 1894.8134 2025.8917 91.5259 -15.2946 -1056.6697 168.5089 0.0000 2642.9711 6391.7196 291.9235 3748.7485 6423.1040 293.7456 LDB: ============= START OF LOAD BALANCING ============== 1549.63 LDB: ============== END OF LOAD BALANCING =============== 1549.63 LDB: =============== DONE WITH MIGRATION ================ 1549.63 PRESSURE: 388300 0 0 0 0 0 0 0 0 0 GPRESSURE: 388300 0 0 0 0 0 0 0 0 0 PRESSAVG: 388300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388300 0 0 0 0 0 0 0 0 0 TIMING: 388300 CPU: 1547.26, 0.00397108/step Wall: 1547.26, 0.00397108/step, 0.123214 hours remaining, 109.652344 MB of memory in use. ENERGY: 388300 663.4231 1884.0423 2030.0656 99.4874 -14.3480 -1044.2873 163.4139 0.0000 2672.4541 6454.2511 295.1800 3781.7971 6485.1712 297.0976 LDB: ============= START OF LOAD BALANCING ============== 1550.03 LDB: ============== END OF LOAD BALANCING =============== 1550.03 LDB: =============== DONE WITH MIGRATION ================ 1550.03 PRESSURE: 388400 0 0 0 0 0 0 0 0 0 GPRESSURE: 388400 0 0 0 0 0 0 0 0 0 PRESSAVG: 388400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388400 0 0 0 0 0 0 0 0 0 TIMING: 388400 CPU: 1547.66, 0.00399068/step Wall: 1547.66, 0.00399067/step, 0.123711 hours remaining, 109.652344 MB of memory in use. ENERGY: 388400 652.9084 1899.1932 2024.4214 102.5318 -14.8232 -1039.9731 158.6141 0.0000 2646.8244 6429.6970 292.3491 3782.8726 6461.1056 297.2557 PRESSURE: 388500 0 0 0 0 0 0 0 0 0 GPRESSURE: 388500 0 0 0 0 0 0 0 0 0 PRESSAVG: 388500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388500 0 0 0 0 0 0 0 0 0 TIMING: 388500 CPU: 1548.05, 0.00397197/step Wall: 1548.05, 0.00397198/step, 0.123021 hours remaining, 109.652344 MB of memory in use. ENERGY: 388500 645.3265 1844.4606 2014.2813 110.7401 -14.7835 -1040.1945 165.8425 0.0000 2696.3126 6421.9856 297.8152 3725.6731 6452.9231 296.1094 PRESSURE: 388600 0 0 0 0 0 0 0 0 0 GPRESSURE: 388600 0 0 0 0 0 0 0 0 0 PRESSAVG: 388600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388600 0 0 0 0 0 0 0 0 0 TIMING: 388600 CPU: 1548.45, 0.0039744/step Wall: 1548.45, 0.0039744/step, 0.122986 hours remaining, 109.652344 MB of memory in use. ENERGY: 388600 618.0977 1909.1809 2000.1478 98.7158 -15.6985 -1048.2585 157.5005 0.0000 2689.8711 6409.5566 297.1038 3719.6855 6441.3864 295.8656 PRESSURE: 388700 0 0 0 0 0 0 0 0 0 GPRESSURE: 388700 0 0 0 0 0 0 0 0 0 PRESSAVG: 388700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388700 0 0 0 0 0 0 0 0 0 TIMING: 388700 CPU: 1548.85, 0.00397849/step Wall: 1548.85, 0.00397849/step, 0.123002 hours remaining, 109.652344 MB of memory in use. ENERGY: 388700 658.3960 1811.8154 2011.3760 114.8657 -15.6307 -1034.6174 163.5838 0.0000 2709.5192 6419.3079 299.2739 3709.7887 6452.2973 297.2335 PRESSURE: 388800 0 0 0 0 0 0 0 0 0 GPRESSURE: 388800 0 0 0 0 0 0 0 0 0 PRESSAVG: 388800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388800 0 0 0 0 0 0 0 0 0 TIMING: 388800 CPU: 1549.24, 0.00397039/step Wall: 1549.24, 0.00397039/step, 0.122641 hours remaining, 109.652344 MB of memory in use. ENERGY: 388800 652.3311 1895.5782 2021.7018 110.4874 -15.2543 -1070.4009 161.2214 0.0000 2668.4572 6424.1219 294.7385 3755.6646 6455.8611 297.1793 PRESSURE: 388900 0 0 0 0 0 0 0 0 0 GPRESSURE: 388900 0 0 0 0 0 0 0 0 0 PRESSAVG: 388900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 388900 0 0 0 0 0 0 0 0 0 TIMING: 388900 CPU: 1549.64, 0.00398169/step Wall: 1549.64, 0.00398169/step, 0.122879 hours remaining, 109.652344 MB of memory in use. ENERGY: 388900 639.4069 1923.2334 2023.8512 115.7973 -14.1290 -1064.8794 156.5420 0.0000 2654.6861 6434.5085 293.2175 3779.8225 6466.7382 296.1822 PRESSURE: 389000 0 0 0 0 0 0 0 0 0 GPRESSURE: 389000 0 0 0 0 0 0 0 0 0 PRESSAVG: 389000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389000 0 0 0 0 0 0 0 0 0 TIMING: 389000 CPU: 1550.04, 0.00396909/step Wall: 1550.04, 0.00396909/step, 0.12238 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 389000 672.7306 1893.8360 2014.8054 113.4142 -13.8616 -1046.3018 156.8794 0.0000 2659.6986 6451.2009 293.7711 3791.5023 6481.2432 298.6366 PRESSURE: 389100 0 0 0 0 0 0 0 0 0 GPRESSURE: 389100 0 0 0 0 0 0 0 0 0 PRESSAVG: 389100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389100 0 0 0 0 0 0 0 0 0 TIMING: 389100 CPU: 1550.44, 0.00396972/step Wall: 1550.44, 0.00396972/step, 0.122289 hours remaining, 109.652344 MB of memory in use. ENERGY: 389100 715.0036 1867.1012 1996.4771 110.4036 -16.9099 -1064.9879 134.7579 0.0000 2710.9562 6452.8017 299.4327 3741.8455 6483.6883 298.6744 PRESSURE: 389200 0 0 0 0 0 0 0 0 0 GPRESSURE: 389200 0 0 0 0 0 0 0 0 0 PRESSAVG: 389200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389200 0 0 0 0 0 0 0 0 0 TIMING: 389200 CPU: 1550.84, 0.00399163/step Wall: 1550.84, 0.00399163/step, 0.122854 hours remaining, 109.652344 MB of memory in use. ENERGY: 389200 675.2350 1862.8679 2031.8361 98.4125 -15.8447 -1045.5458 153.1376 0.0000 2751.5398 6511.6384 303.9152 3760.0986 6545.2883 299.8206 PRESSURE: 389300 0 0 0 0 0 0 0 0 0 GPRESSURE: 389300 0 0 0 0 0 0 0 0 0 PRESSAVG: 389300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389300 0 0 0 0 0 0 0 0 0 TIMING: 389300 CPU: 1551.23, 0.00397315/step Wall: 1551.23, 0.00397315/step, 0.122174 hours remaining, 109.652344 MB of memory in use. ENERGY: 389300 637.7423 1912.1577 2034.6883 106.4479 -14.6730 -1069.3400 177.2052 0.0000 2690.8456 6475.0741 297.2114 3784.2285 6507.5394 301.3211 PRESSURE: 389400 0 0 0 0 0 0 0 0 0 GPRESSURE: 389400 0 0 0 0 0 0 0 0 0 PRESSAVG: 389400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389400 0 0 0 0 0 0 0 0 0 TIMING: 389400 CPU: 1551.63, 0.00398226/step Wall: 1551.63, 0.00398226/step, 0.122344 hours remaining, 109.652344 MB of memory in use. ENERGY: 389400 630.9576 1909.0576 2011.2197 117.5480 -15.4630 -1056.6539 143.5803 0.0000 2745.9354 6486.1818 303.2962 3740.2463 6520.3208 299.9339 PRESSURE: 389500 0 0 0 0 0 0 0 0 0 GPRESSURE: 389500 0 0 0 0 0 0 0 0 0 PRESSAVG: 389500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389500 0 0 0 0 0 0 0 0 0 TIMING: 389500 CPU: 1552.03, 0.0039723/step Wall: 1552.03, 0.0039723/step, 0.121928 hours remaining, 109.652344 MB of memory in use. ENERGY: 389500 673.7422 1901.4566 1992.2538 98.0512 -14.6282 -1028.5961 162.1276 0.0000 2732.0347 6516.4418 301.7608 3784.4071 6550.4983 300.2952 PRESSURE: 389600 0 0 0 0 0 0 0 0 0 GPRESSURE: 389600 0 0 0 0 0 0 0 0 0 PRESSAVG: 389600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389600 0 0 0 0 0 0 0 0 0 TIMING: 389600 CPU: 1552.43, 0.00397113/step Wall: 1552.43, 0.00397113/step, 0.121781 hours remaining, 109.652344 MB of memory in use. ENERGY: 389600 679.1179 1848.2756 2010.8512 114.7473 -14.9543 -1041.8267 171.5963 0.0000 2721.3253 6489.1326 300.5780 3767.8072 6521.9054 302.0747 PRESSURE: 389700 0 0 0 0 0 0 0 0 0 GPRESSURE: 389700 0 0 0 0 0 0 0 0 0 PRESSAVG: 389700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389700 0 0 0 0 0 0 0 0 0 TIMING: 389700 CPU: 1552.82, 0.0039831/step Wall: 1552.82, 0.0039831/step, 0.122038 hours remaining, 109.652344 MB of memory in use. ENERGY: 389700 677.6823 1886.6032 1996.1737 95.5741 -15.2914 -1046.6061 155.5370 0.0000 2740.8003 6490.4731 302.7290 3749.6728 6521.9405 301.6281 PRESSURE: 389800 0 0 0 0 0 0 0 0 0 GPRESSURE: 389800 0 0 0 0 0 0 0 0 0 PRESSAVG: 389800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389800 0 0 0 0 0 0 0 0 0 TIMING: 389800 CPU: 1553.22, 0.00396833/step Wall: 1553.22, 0.00396833/step, 0.121475 hours remaining, 109.652344 MB of memory in use. ENERGY: 389800 629.7049 1888.3376 2021.9666 103.6046 -14.8654 -1028.6409 167.1105 0.0000 2723.5626 6490.7804 300.8251 3767.2179 6527.2532 299.5347 PRESSURE: 389900 0 0 0 0 0 0 0 0 0 GPRESSURE: 389900 0 0 0 0 0 0 0 0 0 PRESSAVG: 389900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 389900 0 0 0 0 0 0 0 0 0 TIMING: 389900 CPU: 1553.62, 0.00398274/step Wall: 1553.62, 0.00398274/step, 0.121805 hours remaining, 109.652344 MB of memory in use. ENERGY: 389900 658.4605 1923.1564 2011.4461 98.7838 -15.7542 -1019.6032 154.4580 0.0000 2724.5092 6535.4566 300.9296 3810.9474 6566.5110 301.7545 PRESSURE: 390000 0 0 0 0 0 0 0 0 0 GPRESSURE: 390000 0 0 0 0 0 0 0 0 0 PRESSAVG: 390000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390000 0 0 0 0 0 0 0 0 0 TIMING: 390000 CPU: 1554.02, 0.00396929/step Wall: 1554.02, 0.00396928/step, 0.121284 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 390000 621.4104 1903.4453 2035.4424 103.2337 -14.0764 -1052.1865 178.0463 0.0000 2751.2411 6526.5564 303.8822 3775.3153 6561.5651 302.1020 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 390000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 390000 WRITING COORDINATES TO RESTART FILE AT STEP 390000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 390000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 390100 0 0 0 0 0 0 0 0 0 GPRESSURE: 390100 0 0 0 0 0 0 0 0 0 PRESSAVG: 390100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390100 0 0 0 0 0 0 0 0 0 TIMING: 390100 CPU: 1554.45, 0.00433685/step Wall: 1554.45, 0.00433686/step, 0.132395 hours remaining, 109.652344 MB of memory in use. ENERGY: 390100 645.2926 1884.4184 2041.1625 104.5118 -15.5213 -1010.0037 164.2318 0.0000 2739.5593 6553.6513 302.5920 3814.0921 6587.2327 302.5178 PRESSURE: 390200 0 0 0 0 0 0 0 0 0 GPRESSURE: 390200 0 0 0 0 0 0 0 0 0 PRESSAVG: 390200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390200 0 0 0 0 0 0 0 0 0 TIMING: 390200 CPU: 1554.85, 0.00398044/step Wall: 1554.85, 0.00398044/step, 0.121403 hours remaining, 109.652344 MB of memory in use. ENERGY: 390200 643.5215 1938.6976 2001.7233 115.2231 -15.1288 -1052.5005 160.0472 0.0000 2739.8245 6531.4079 302.6212 3791.5834 6563.9461 302.8405 PRESSURE: 390300 0 0 0 0 0 0 0 0 0 GPRESSURE: 390300 0 0 0 0 0 0 0 0 0 PRESSAVG: 390300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390300 0 0 0 0 0 0 0 0 0 TIMING: 390300 CPU: 1555.25, 0.00397202/step Wall: 1555.25, 0.00397202/step, 0.121036 hours remaining, 109.652344 MB of memory in use. ENERGY: 390300 675.1709 1927.7325 2026.9980 109.3618 -13.4002 -1065.1677 168.7532 0.0000 2727.9891 6557.4376 301.3140 3829.4485 6588.7452 303.2950 PRESSURE: 390400 0 0 0 0 0 0 0 0 0 GPRESSURE: 390400 0 0 0 0 0 0 0 0 0 PRESSAVG: 390400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390400 0 0 0 0 0 0 0 0 0 TIMING: 390400 CPU: 1555.64, 0.00398201/step Wall: 1555.64, 0.00398201/step, 0.12123 hours remaining, 109.652344 MB of memory in use. ENERGY: 390400 642.4517 1961.3074 2030.0597 95.9575 -15.6563 -1034.0300 166.7133 0.0000 2718.8935 6565.6967 300.3094 3846.8032 6597.6773 304.6188 PRESSURE: 390500 0 0 0 0 0 0 0 0 0 GPRESSURE: 390500 0 0 0 0 0 0 0 0 0 PRESSAVG: 390500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390500 0 0 0 0 0 0 0 0 0 TIMING: 390500 CPU: 1556.04, 0.00397078/step Wall: 1556.04, 0.00397078/step, 0.120778 hours remaining, 109.652344 MB of memory in use. ENERGY: 390500 612.1082 1978.8758 2040.2664 107.6981 -15.1713 -1021.5659 152.4797 0.0000 2709.4184 6564.1093 299.2628 3854.6909 6597.1474 305.1411 PRESSURE: 390600 0 0 0 0 0 0 0 0 0 GPRESSURE: 390600 0 0 0 0 0 0 0 0 0 PRESSAVG: 390600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390600 0 0 0 0 0 0 0 0 0 TIMING: 390600 CPU: 1556.44, 0.00397223/step Wall: 1556.44, 0.00397223/step, 0.120712 hours remaining, 109.652344 MB of memory in use. ENERGY: 390600 644.1352 1912.1290 2008.9470 108.8751 -15.2519 -998.2169 157.6114 0.0000 2697.3531 6515.5820 297.9302 3818.2289 6547.2740 303.0834 PRESSURE: 390700 0 0 0 0 0 0 0 0 0 GPRESSURE: 390700 0 0 0 0 0 0 0 0 0 PRESSAVG: 390700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390700 0 0 0 0 0 0 0 0 0 TIMING: 390700 CPU: 1556.84, 0.00398141/step Wall: 1556.84, 0.00398141/step, 0.12088 hours remaining, 109.652344 MB of memory in use. ENERGY: 390700 655.8378 1927.6827 2029.8562 108.2486 -15.2056 -1044.0826 155.8259 0.0000 2693.4751 6511.6380 297.5018 3818.1629 6541.6346 301.7699 PRESSURE: 390800 0 0 0 0 0 0 0 0 0 GPRESSURE: 390800 0 0 0 0 0 0 0 0 0 PRESSAVG: 390800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390800 0 0 0 0 0 0 0 0 0 TIMING: 390800 CPU: 1557.23, 0.00397064/step Wall: 1557.23, 0.00397064/step, 0.120443 hours remaining, 109.652344 MB of memory in use. ENERGY: 390800 650.2214 1935.4325 2035.5053 105.0235 -14.6181 -1050.4118 166.4413 0.0000 2709.7258 6537.3199 299.2968 3827.5942 6570.5956 302.9727 PRESSURE: 390900 0 0 0 0 0 0 0 0 0 GPRESSURE: 390900 0 0 0 0 0 0 0 0 0 PRESSAVG: 390900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 390900 0 0 0 0 0 0 0 0 0 TIMING: 390900 CPU: 1557.63, 0.00398186/step Wall: 1557.63, 0.00398186/step, 0.120672 hours remaining, 109.652344 MB of memory in use. ENERGY: 390900 635.4971 1851.5377 2062.4295 112.7918 -14.7212 -1025.8602 173.5490 0.0000 2754.9331 6550.1568 304.2900 3795.2237 6581.4511 303.6432 PRESSURE: 391000 0 0 0 0 0 0 0 0 0 GPRESSURE: 391000 0 0 0 0 0 0 0 0 0 PRESSAVG: 391000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391000 0 0 0 0 0 0 0 0 0 TIMING: 391000 CPU: 1558.03, 0.00397356/step Wall: 1558.03, 0.00397356/step, 0.120311 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 391000 656.2703 1911.4295 2033.6126 103.4794 -14.9503 -1037.1372 162.2247 0.0000 2690.5685 6505.4974 297.1808 3814.9289 6535.7262 303.7349 PRESSURE: 391100 0 0 0 0 0 0 0 0 0 GPRESSURE: 391100 0 0 0 0 0 0 0 0 0 PRESSAVG: 391100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391100 0 0 0 0 0 0 0 0 0 TIMING: 391100 CPU: 1558.43, 0.00397188/step Wall: 1558.43, 0.00397188/step, 0.120149 hours remaining, 109.652344 MB of memory in use. ENERGY: 391100 691.3899 1888.7467 2014.7504 99.9783 -14.7652 -1072.5494 177.9241 0.0000 2707.8582 6493.3330 299.0905 3785.4748 6525.1416 301.1614 PRESSURE: 391200 0 0 0 0 0 0 0 0 0 GPRESSURE: 391200 0 0 0 0 0 0 0 0 0 PRESSAVG: 391200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391200 0 0 0 0 0 0 0 0 0 TIMING: 391200 CPU: 1558.82, 0.00398096/step Wall: 1558.82, 0.00398096/step, 0.120313 hours remaining, 109.652344 MB of memory in use. ENERGY: 391200 622.0362 1892.2543 2020.3903 118.4186 -16.2054 -1043.9926 145.5180 0.0000 2695.3915 6433.8110 297.7135 3738.4194 6467.1123 299.1716 PRESSURE: 391300 0 0 0 0 0 0 0 0 0 GPRESSURE: 391300 0 0 0 0 0 0 0 0 0 PRESSAVG: 391300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391300 0 0 0 0 0 0 0 0 0 TIMING: 391300 CPU: 1559.22, 0.00396916/step Wall: 1559.22, 0.00396916/step, 0.119847 hours remaining, 109.652344 MB of memory in use. ENERGY: 391300 623.2772 1891.8641 1986.1250 113.8188 -15.5209 -1043.8332 167.3418 0.0000 2701.5254 6424.5982 298.3910 3723.0728 6457.2666 297.4734 PRESSURE: 391400 0 0 0 0 0 0 0 0 0 GPRESSURE: 391400 0 0 0 0 0 0 0 0 0 PRESSAVG: 391400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391400 0 0 0 0 0 0 0 0 0 TIMING: 391400 CPU: 1559.62, 0.00398244/step Wall: 1559.62, 0.00398244/step, 0.120137 hours remaining, 109.652344 MB of memory in use. ENERGY: 391400 622.3269 1866.7670 1998.8825 111.5780 -14.3620 -1003.9828 159.7515 0.0000 2681.1188 6422.0801 296.1370 3740.9612 6454.1908 297.5126 PRESSURE: 391500 0 0 0 0 0 0 0 0 0 GPRESSURE: 391500 0 0 0 0 0 0 0 0 0 PRESSAVG: 391500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391500 0 0 0 0 0 0 0 0 0 TIMING: 391500 CPU: 1560.02, 0.00397056/step Wall: 1560.02, 0.00397056/step, 0.119668 hours remaining, 109.652344 MB of memory in use. ENERGY: 391500 703.6192 1917.9670 2003.5308 115.6824 -15.1584 -1087.9355 173.6157 0.0000 2630.1091 6441.4304 290.5029 3811.3213 6468.6787 296.3351 PRESSURE: 391600 0 0 0 0 0 0 0 0 0 GPRESSURE: 391600 0 0 0 0 0 0 0 0 0 PRESSAVG: 391600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391600 0 0 0 0 0 0 0 0 0 TIMING: 391600 CPU: 1560.41, 0.00397217/step Wall: 1560.41, 0.00397217/step, 0.119606 hours remaining, 109.652344 MB of memory in use. ENERGY: 391600 653.9713 1880.6322 2020.3599 112.7575 -14.1847 -1037.8763 173.4953 0.0000 2642.7340 6431.8893 291.8973 3789.1553 6464.1219 297.6470 PRESSURE: 391700 0 0 0 0 0 0 0 0 0 GPRESSURE: 391700 0 0 0 0 0 0 0 0 0 PRESSAVG: 391700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391700 0 0 0 0 0 0 0 0 0 TIMING: 391700 CPU: 1560.81, 0.0039823/step Wall: 1560.81, 0.0039823/step, 0.119801 hours remaining, 109.652344 MB of memory in use. ENERGY: 391700 656.0135 1859.7462 2006.5292 98.7256 -15.2472 -1026.4970 150.5790 0.0000 2716.5173 6446.3666 300.0469 3729.8492 6477.6274 297.9541 PRESSURE: 391800 0 0 0 0 0 0 0 0 0 GPRESSURE: 391800 0 0 0 0 0 0 0 0 0 PRESSAVG: 391800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391800 0 0 0 0 0 0 0 0 0 TIMING: 391800 CPU: 1561.21, 0.00396961/step Wall: 1561.21, 0.00396961/step, 0.119309 hours remaining, 109.652344 MB of memory in use. ENERGY: 391800 645.4870 1844.1209 2029.6033 108.1725 -14.4503 -1036.8865 168.4591 0.0000 2682.6722 6427.1781 296.3086 3744.5060 6461.5021 299.0939 PRESSURE: 391900 0 0 0 0 0 0 0 0 0 GPRESSURE: 391900 0 0 0 0 0 0 0 0 0 PRESSAVG: 391900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 391900 0 0 0 0 0 0 0 0 0 TIMING: 391900 CPU: 1561.61, 0.00398189/step Wall: 1561.61, 0.00398189/step, 0.119567 hours remaining, 109.652344 MB of memory in use. ENERGY: 391900 636.4192 1904.0797 2000.9490 94.2352 -15.2285 -1057.0573 168.4738 0.0000 2674.3428 6406.2138 295.3886 3731.8710 6436.1835 296.5121 PRESSURE: 392000 0 0 0 0 0 0 0 0 0 GPRESSURE: 392000 0 0 0 0 0 0 0 0 0 PRESSAVG: 392000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392000 0 0 0 0 0 0 0 0 0 TIMING: 392000 CPU: 1562, 0.00397034/step Wall: 1562, 0.00397034/step, 0.11911 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 392000 664.6860 1922.8637 1980.5686 107.0467 -15.0837 -1062.6632 171.4138 0.0000 2682.9751 6451.8069 296.3421 3768.8318 6485.0102 297.8238 PRESSURE: 392100 0 0 0 0 0 0 0 0 0 GPRESSURE: 392100 0 0 0 0 0 0 0 0 0 PRESSAVG: 392100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392100 0 0 0 0 0 0 0 0 0 TIMING: 392100 CPU: 1562.4, 0.00396985/step Wall: 1562.4, 0.00396985/step, 0.118985 hours remaining, 109.652344 MB of memory in use. ENERGY: 392100 652.2568 1889.9719 2001.8740 103.4558 -15.6971 -1051.3982 157.5684 0.0000 2716.9298 6454.9613 300.0925 3738.0315 6488.3617 299.8919 PRESSURE: 392200 0 0 0 0 0 0 0 0 0 GPRESSURE: 392200 0 0 0 0 0 0 0 0 0 PRESSAVG: 392200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392200 0 0 0 0 0 0 0 0 0 TIMING: 392200 CPU: 1562.8, 0.0039814/step Wall: 1562.8, 0.0039814/step, 0.119221 hours remaining, 109.652344 MB of memory in use. ENERGY: 392200 654.2789 1926.5915 1994.8876 100.3146 -15.4031 -1068.8468 165.8295 0.0000 2688.6277 6446.2799 296.9664 3757.6523 6477.7313 298.5744 LDB: ============= START OF LOAD BALANCING ============== 1565.57 LDB: ============== END OF LOAD BALANCING =============== 1565.57 LDB: =============== DONE WITH MIGRATION ================ 1565.57 PRESSURE: 392300 0 0 0 0 0 0 0 0 0 GPRESSURE: 392300 0 0 0 0 0 0 0 0 0 PRESSAVG: 392300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392300 0 0 0 0 0 0 0 0 0 TIMING: 392300 CPU: 1563.2, 0.00397211/step Wall: 1563.2, 0.00397211/step, 0.118832 hours remaining, 109.652344 MB of memory in use. ENERGY: 392300 672.1913 1903.8144 1978.8653 93.3156 -15.2843 -1077.5397 162.5239 0.0000 2727.7045 6445.5908 301.2826 3717.8863 6479.5328 299.6407 LDB: ============= START OF LOAD BALANCING ============== 1565.97 LDB: ============== END OF LOAD BALANCING =============== 1565.97 LDB: =============== DONE WITH MIGRATION ================ 1565.97 PRESSURE: 392400 0 0 0 0 0 0 0 0 0 GPRESSURE: 392400 0 0 0 0 0 0 0 0 0 PRESSAVG: 392400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392400 0 0 0 0 0 0 0 0 0 TIMING: 392400 CPU: 1563.6, 0.00399459/step Wall: 1563.6, 0.00399459/step, 0.119394 hours remaining, 109.652344 MB of memory in use. ENERGY: 392400 686.0668 1914.0691 1984.9499 107.0196 -15.0518 -1052.0997 151.0785 0.0000 2656.9039 6432.9362 293.4624 3776.0323 6466.2319 298.2597 PRESSURE: 392500 0 0 0 0 0 0 0 0 0 GPRESSURE: 392500 0 0 0 0 0 0 0 0 0 PRESSAVG: 392500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392500 0 0 0 0 0 0 0 0 0 TIMING: 392500 CPU: 1563.99, 0.00397348/step Wall: 1563.99, 0.00397348/step, 0.118653 hours remaining, 109.652344 MB of memory in use. ENERGY: 392500 677.1385 1887.0849 1989.1345 109.0423 -14.6921 -1019.9422 147.3571 0.0000 2686.4260 6461.5489 296.7232 3775.1229 6494.0400 299.3540 PRESSURE: 392600 0 0 0 0 0 0 0 0 0 GPRESSURE: 392600 0 0 0 0 0 0 0 0 0 PRESSAVG: 392600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392600 0 0 0 0 0 0 0 0 0 TIMING: 392600 CPU: 1564.39, 0.00397369/step Wall: 1564.39, 0.00397369/step, 0.118548 hours remaining, 109.652344 MB of memory in use. ENERGY: 392600 645.7565 1897.1770 1989.2939 98.9001 -15.7467 -1070.9967 154.6674 0.0000 2783.5270 6482.5786 307.4483 3699.0516 6517.3406 299.8747 PRESSURE: 392700 0 0 0 0 0 0 0 0 0 GPRESSURE: 392700 0 0 0 0 0 0 0 0 0 PRESSAVG: 392700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392700 0 0 0 0 0 0 0 0 0 TIMING: 392700 CPU: 1564.79, 0.00398501/step Wall: 1564.79, 0.00398501/step, 0.118775 hours remaining, 109.652344 MB of memory in use. ENERGY: 392700 654.1851 1892.0482 1994.9855 95.0610 -14.4959 -1036.8245 159.4325 0.0000 2724.8201 6469.2121 300.9640 3744.3920 6503.5540 300.5749 PRESSURE: 392800 0 0 0 0 0 0 0 0 0 GPRESSURE: 392800 0 0 0 0 0 0 0 0 0 PRESSAVG: 392800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392800 0 0 0 0 0 0 0 0 0 TIMING: 392800 CPU: 1565.19, 0.00397116/step Wall: 1565.19, 0.00397116/step, 0.118252 hours remaining, 109.652344 MB of memory in use. ENERGY: 392800 641.3425 1873.3489 2041.6581 96.5696 -13.8175 -1055.0576 158.2940 0.0000 2740.5612 6482.8991 302.7026 3742.3379 6517.2661 299.8519 PRESSURE: 392900 0 0 0 0 0 0 0 0 0 GPRESSURE: 392900 0 0 0 0 0 0 0 0 0 PRESSAVG: 392900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 392900 0 0 0 0 0 0 0 0 0 TIMING: 392900 CPU: 1565.58, 0.00398089/step Wall: 1565.58, 0.00398089/step, 0.118431 hours remaining, 109.652344 MB of memory in use. ENERGY: 392900 636.5970 1917.1159 2017.8926 99.4288 -15.7190 -1057.1177 157.1193 0.0000 2700.0998 6455.4167 298.2335 3755.3170 6486.5831 298.6945 PRESSURE: 393000 0 0 0 0 0 0 0 0 0 GPRESSURE: 393000 0 0 0 0 0 0 0 0 0 PRESSAVG: 393000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393000 0 0 0 0 0 0 0 0 0 TIMING: 393000 CPU: 1565.98, 0.00397312/step Wall: 1565.98, 0.00397312/step, 0.11809 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 393000 689.5474 1934.9198 2032.4179 97.2496 -15.7799 -1064.9398 172.0751 0.0000 2652.4565 6497.9465 292.9712 3845.4900 6530.9528 299.0957 PRESSURE: 393100 0 0 0 0 0 0 0 0 0 GPRESSURE: 393100 0 0 0 0 0 0 0 0 0 PRESSAVG: 393100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393100 0 0 0 0 0 0 0 0 0 TIMING: 393100 CPU: 1566.38, 0.00396982/step Wall: 1566.38, 0.00396982/step, 0.117882 hours remaining, 109.652344 MB of memory in use. ENERGY: 393100 649.8696 1895.2387 2013.3617 98.9876 -15.3298 -1042.3075 153.5129 0.0000 2730.5830 6483.9161 301.6005 3753.3331 6519.1840 302.1247 PRESSURE: 393200 0 0 0 0 0 0 0 0 0 GPRESSURE: 393200 0 0 0 0 0 0 0 0 0 PRESSAVG: 393200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393200 0 0 0 0 0 0 0 0 0 TIMING: 393200 CPU: 1566.78, 0.00398057/step Wall: 1566.78, 0.00398057/step, 0.11809 hours remaining, 109.652344 MB of memory in use. ENERGY: 393200 679.9618 1882.2829 2014.0356 101.2389 -14.8089 -1062.4106 154.2664 0.0000 2725.9346 6480.5009 301.0871 3754.5662 6511.5172 300.2424 PRESSURE: 393300 0 0 0 0 0 0 0 0 0 GPRESSURE: 393300 0 0 0 0 0 0 0 0 0 PRESSAVG: 393300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393300 0 0 0 0 0 0 0 0 0 TIMING: 393300 CPU: 1567.17, 0.00397042/step Wall: 1567.17, 0.00397042/step, 0.117679 hours remaining, 109.652344 MB of memory in use. ENERGY: 393300 704.0001 1894.0977 2007.7942 110.3382 -15.3360 -1045.6728 175.1245 0.0000 2712.4230 6542.7690 299.5947 3830.3460 6571.3280 301.4406 PRESSURE: 393400 0 0 0 0 0 0 0 0 0 GPRESSURE: 393400 0 0 0 0 0 0 0 0 0 PRESSAVG: 393400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393400 0 0 0 0 0 0 0 0 0 TIMING: 393400 CPU: 1567.57, 0.00398041/step Wall: 1567.57, 0.0039804/step, 0.117864 hours remaining, 109.652344 MB of memory in use. ENERGY: 393400 645.0421 1943.4835 2007.6939 113.7481 -16.0712 -1054.6931 169.8218 0.0000 2724.9876 6534.0125 300.9825 3809.0249 6567.9297 302.7158 PRESSURE: 393500 0 0 0 0 0 0 0 0 0 GPRESSURE: 393500 0 0 0 0 0 0 0 0 0 PRESSAVG: 393500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393500 0 0 0 0 0 0 0 0 0 TIMING: 393500 CPU: 1567.97, 0.00396829/step Wall: 1567.97, 0.0039683/step, 0.117396 hours remaining, 109.652344 MB of memory in use. ENERGY: 393500 658.5216 1876.1979 2027.5762 114.1075 -15.7064 -1062.2374 163.4242 0.0000 2736.5070 6498.3905 302.2548 3761.8835 6531.3177 301.6666 PRESSURE: 393600 0 0 0 0 0 0 0 0 0 GPRESSURE: 393600 0 0 0 0 0 0 0 0 0 PRESSAVG: 393600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393600 0 0 0 0 0 0 0 0 0 TIMING: 393600 CPU: 1568.37, 0.00397257/step Wall: 1568.37, 0.00397257/step, 0.117411 hours remaining, 109.652344 MB of memory in use. ENERGY: 393600 669.6168 1877.1128 2015.9266 103.2753 -14.7045 -1048.1878 160.2741 0.0000 2718.9452 6482.2584 300.3151 3763.3132 6512.9575 299.8229 PRESSURE: 393700 0 0 0 0 0 0 0 0 0 GPRESSURE: 393700 0 0 0 0 0 0 0 0 0 PRESSAVG: 393700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393700 0 0 0 0 0 0 0 0 0 TIMING: 393700 CPU: 1568.76, 0.00398161/step Wall: 1568.76, 0.00398161/step, 0.117568 hours remaining, 109.652344 MB of memory in use. ENERGY: 393700 627.1083 1872.6904 2031.3111 115.3353 -14.7783 -1041.4634 155.6813 0.0000 2689.4670 6435.3517 297.0591 3745.8847 6466.7831 297.5623 PRESSURE: 393800 0 0 0 0 0 0 0 0 0 GPRESSURE: 393800 0 0 0 0 0 0 0 0 0 PRESSAVG: 393800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393800 0 0 0 0 0 0 0 0 0 TIMING: 393800 CPU: 1569.16, 0.00397209/step Wall: 1569.16, 0.00397209/step, 0.117177 hours remaining, 109.652344 MB of memory in use. ENERGY: 393800 658.7003 1888.1430 2039.8211 98.8578 -15.0555 -1065.7990 161.4286 0.0000 2676.8912 6442.9873 295.6701 3766.0962 6475.8609 297.2872 PRESSURE: 393900 0 0 0 0 0 0 0 0 0 GPRESSURE: 393900 0 0 0 0 0 0 0 0 0 PRESSAVG: 393900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 393900 0 0 0 0 0 0 0 0 0 TIMING: 393900 CPU: 1569.56, 0.00398405/step Wall: 1569.56, 0.00398405/step, 0.117419 hours remaining, 109.652344 MB of memory in use. ENERGY: 393900 637.8880 1858.9741 2007.3928 105.9597 -15.1712 -1056.5166 178.5221 0.0000 2710.3852 6427.4341 299.3696 3717.0489 6458.7019 297.4667 PRESSURE: 394000 0 0 0 0 0 0 0 0 0 GPRESSURE: 394000 0 0 0 0 0 0 0 0 0 PRESSAVG: 394000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394000 0 0 0 0 0 0 0 0 0 TIMING: 394000 CPU: 1569.96, 0.00397051/step Wall: 1569.96, 0.00397051/step, 0.116909 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 394000 663.8408 1864.5006 2018.2820 103.3721 -14.9328 -1048.7646 160.2966 0.0000 2688.8916 6435.4863 296.9956 3746.5947 6470.3385 296.5572 PRESSURE: 394100 0 0 0 0 0 0 0 0 0 GPRESSURE: 394100 0 0 0 0 0 0 0 0 0 PRESSAVG: 394100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394100 0 0 0 0 0 0 0 0 0 TIMING: 394100 CPU: 1570.35, 0.00397081/step Wall: 1570.35, 0.00397081/step, 0.116808 hours remaining, 109.652344 MB of memory in use. ENERGY: 394100 650.3256 1887.9861 2040.4493 106.1892 -15.0872 -1084.7475 160.0080 0.0000 2685.6010 6430.7244 296.6321 3745.1234 6463.6700 297.7410 PRESSURE: 394200 0 0 0 0 0 0 0 0 0 GPRESSURE: 394200 0 0 0 0 0 0 0 0 0 PRESSAVG: 394200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394200 0 0 0 0 0 0 0 0 0 TIMING: 394200 CPU: 1570.75, 0.00397945/step Wall: 1570.75, 0.00397945/step, 0.116952 hours remaining, 109.652344 MB of memory in use. ENERGY: 394200 635.8099 1903.7372 2006.2737 108.6766 -16.4007 -1042.4469 152.3995 0.0000 2670.8867 6418.9359 295.0069 3748.0492 6451.2929 296.8762 PRESSURE: 394300 0 0 0 0 0 0 0 0 0 GPRESSURE: 394300 0 0 0 0 0 0 0 0 0 PRESSAVG: 394300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394300 0 0 0 0 0 0 0 0 0 TIMING: 394300 CPU: 1571.15, 0.00396888/step Wall: 1571.15, 0.00396888/step, 0.116531 hours remaining, 109.652344 MB of memory in use. ENERGY: 394300 620.4078 1861.5726 2046.9057 110.1757 -15.0794 -1054.5879 171.5548 0.0000 2686.2370 6427.1863 296.7024 3740.9492 6462.9812 296.6015 PRESSURE: 394400 0 0 0 0 0 0 0 0 0 GPRESSURE: 394400 0 0 0 0 0 0 0 0 0 PRESSAVG: 394400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394400 0 0 0 0 0 0 0 0 0 TIMING: 394400 CPU: 1571.55, 0.00400316/step Wall: 1571.55, 0.00400316/step, 0.117426 hours remaining, 109.652344 MB of memory in use. ENERGY: 394400 659.0864 1912.7173 2027.3628 109.9558 -15.0195 -1062.4700 169.0529 0.0000 2611.1362 6411.8220 288.4073 3800.6858 6445.5680 296.0380 PRESSURE: 394500 0 0 0 0 0 0 0 0 0 GPRESSURE: 394500 0 0 0 0 0 0 0 0 0 PRESSAVG: 394500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394500 0 0 0 0 0 0 0 0 0 TIMING: 394500 CPU: 1571.95, 0.00397292/step Wall: 1571.95, 0.00397292/step, 0.116429 hours remaining, 109.652344 MB of memory in use. ENERGY: 394500 678.9283 1835.2589 1990.2425 105.8093 -14.6498 -1077.2483 159.8852 0.0000 2721.6924 6399.9186 300.6185 3678.2261 6434.0379 297.0621 PRESSURE: 394600 0 0 0 0 0 0 0 0 0 GPRESSURE: 394600 0 0 0 0 0 0 0 0 0 PRESSAVG: 394600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394600 0 0 0 0 0 0 0 0 0 TIMING: 394600 CPU: 1572.34, 0.00397392/step Wall: 1572.34, 0.00397392/step, 0.116348 hours remaining, 109.652344 MB of memory in use. ENERGY: 394600 673.1901 1846.4754 2014.6565 100.8983 -15.0319 -1073.4287 162.3939 0.0000 2708.2275 6417.3811 299.1313 3709.1536 6452.2658 296.2396 PRESSURE: 394700 0 0 0 0 0 0 0 0 0 GPRESSURE: 394700 0 0 0 0 0 0 0 0 0 PRESSAVG: 394700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394700 0 0 0 0 0 0 0 0 0 TIMING: 394700 CPU: 1572.74, 0.00398545/step Wall: 1572.74, 0.00398545/step, 0.116574 hours remaining, 109.652344 MB of memory in use. ENERGY: 394700 658.2889 1864.8716 2020.7489 95.1052 -14.4102 -1053.1709 158.3247 0.0000 2686.8596 6416.6178 296.7711 3729.7582 6450.2198 297.2527 PRESSURE: 394800 0 0 0 0 0 0 0 0 0 GPRESSURE: 394800 0 0 0 0 0 0 0 0 0 PRESSAVG: 394800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394800 0 0 0 0 0 0 0 0 0 TIMING: 394800 CPU: 1573.14, 0.00397361/step Wall: 1573.14, 0.00397361/step, 0.116118 hours remaining, 109.652344 MB of memory in use. ENERGY: 394800 622.4041 1919.2786 2041.0706 102.3197 -14.9640 -1034.2241 155.3283 0.0000 2632.4695 6423.6827 290.7636 3791.2132 6453.6529 296.4252 PRESSURE: 394900 0 0 0 0 0 0 0 0 0 GPRESSURE: 394900 0 0 0 0 0 0 0 0 0 PRESSAVG: 394900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 394900 0 0 0 0 0 0 0 0 0 TIMING: 394900 CPU: 1573.54, 0.00398104/step Wall: 1573.54, 0.00398104/step, 0.116224 hours remaining, 109.652344 MB of memory in use. ENERGY: 394900 685.1465 1860.6241 2021.9158 104.1896 -14.5133 -1054.3094 157.9728 0.0000 2697.9077 6458.9338 297.9914 3761.0261 6489.7200 297.6719 PRESSURE: 395000 0 0 0 0 0 0 0 0 0 GPRESSURE: 395000 0 0 0 0 0 0 0 0 0 PRESSAVG: 395000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395000 0 0 0 0 0 0 0 0 0 TIMING: 395000 CPU: 1573.93, 0.00396993/step Wall: 1573.93, 0.00396993/step, 0.11579 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 395000 672.7535 1873.2187 2011.7980 97.6388 -14.1289 -1039.6048 158.1249 0.0000 2683.1908 6442.9908 296.3659 3759.8000 6477.7057 298.1751 PRESSURE: 395100 0 0 0 0 0 0 0 0 0 GPRESSURE: 395100 0 0 0 0 0 0 0 0 0 PRESSAVG: 395100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395100 0 0 0 0 0 0 0 0 0 TIMING: 395100 CPU: 1574.33, 0.00397263/step Wall: 1574.33, 0.00397263/step, 0.115758 hours remaining, 109.652344 MB of memory in use. ENERGY: 395100 642.7831 1841.6908 2008.1335 96.6094 -14.6193 -1043.3565 178.1960 0.0000 2712.0501 6421.4869 299.5535 3709.4368 6455.6886 296.7758 PRESSURE: 395200 0 0 0 0 0 0 0 0 0 GPRESSURE: 395200 0 0 0 0 0 0 0 0 0 PRESSAVG: 395200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395200 0 0 0 0 0 0 0 0 0 TIMING: 395200 CPU: 1574.73, 0.00398169/step Wall: 1574.73, 0.00398169/step, 0.115911 hours remaining, 109.652344 MB of memory in use. ENERGY: 395200 667.7857 1892.5843 2021.0665 107.3446 -15.0115 -1051.3764 146.3345 0.0000 2670.2501 6438.9777 294.9366 3768.7276 6473.3389 297.7288 PRESSURE: 395300 0 0 0 0 0 0 0 0 0 GPRESSURE: 395300 0 0 0 0 0 0 0 0 0 PRESSAVG: 395300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395300 0 0 0 0 0 0 0 0 0 TIMING: 395300 CPU: 1575.13, 0.00396879/step Wall: 1575.13, 0.00396879/step, 0.115426 hours remaining, 109.652344 MB of memory in use. ENERGY: 395300 635.5758 1939.3961 2015.1873 95.7861 -15.1457 -1065.8837 153.1695 0.0000 2680.7115 6438.7969 296.0921 3758.0854 6470.0899 297.7533 PRESSURE: 395400 0 0 0 0 0 0 0 0 0 GPRESSURE: 395400 0 0 0 0 0 0 0 0 0 PRESSAVG: 395400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395400 0 0 0 0 0 0 0 0 0 TIMING: 395400 CPU: 1575.52, 0.00398228/step Wall: 1575.52, 0.00398228/step, 0.115707 hours remaining, 109.652344 MB of memory in use. ENERGY: 395400 653.2457 1897.3969 2005.0878 105.8615 -13.5162 -1055.1692 163.5649 0.0000 2698.6774 6455.1490 298.0764 3756.4715 6489.0867 298.7849 PRESSURE: 395500 0 0 0 0 0 0 0 0 0 GPRESSURE: 395500 0 0 0 0 0 0 0 0 0 PRESSAVG: 395500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395500 0 0 0 0 0 0 0 0 0 TIMING: 395500 CPU: 1575.92, 0.00397026/step Wall: 1575.92, 0.00397026/step, 0.115248 hours remaining, 109.652344 MB of memory in use. ENERGY: 395500 652.0655 1932.1361 2012.5411 100.7682 -16.1473 -1051.3962 160.8819 0.0000 2694.2138 6485.0631 297.5834 3790.8493 6516.1842 299.2958 PRESSURE: 395600 0 0 0 0 0 0 0 0 0 GPRESSURE: 395600 0 0 0 0 0 0 0 0 0 PRESSAVG: 395600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395600 0 0 0 0 0 0 0 0 0 TIMING: 395600 CPU: 1576.32, 0.00398294/step Wall: 1576.32, 0.00398294/step, 0.115505 hours remaining, 109.652344 MB of memory in use. ENERGY: 395600 635.8600 1869.3776 2012.6337 101.2319 -15.0148 -1041.4617 150.9499 0.0000 2756.7580 6470.3345 304.4916 3713.5765 6506.9603 300.0595 PRESSURE: 395700 0 0 0 0 0 0 0 0 0 GPRESSURE: 395700 0 0 0 0 0 0 0 0 0 PRESSAVG: 395700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395700 0 0 0 0 0 0 0 0 0 TIMING: 395700 CPU: 1576.72, 0.00398159/step Wall: 1576.72, 0.00398159/step, 0.115356 hours remaining, 109.652344 MB of memory in use. ENERGY: 395700 674.9396 1926.7434 2001.0871 101.0376 -15.0042 -1073.9799 167.7103 0.0000 2675.8177 6458.3515 295.5515 3782.5338 6488.4537 300.2430 PRESSURE: 395800 0 0 0 0 0 0 0 0 0 GPRESSURE: 395800 0 0 0 0 0 0 0 0 0 PRESSAVG: 395800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395800 0 0 0 0 0 0 0 0 0 TIMING: 395800 CPU: 1577.12, 0.00397189/step Wall: 1577.12, 0.00397189/step, 0.114964 hours remaining, 109.652344 MB of memory in use. ENERGY: 395800 664.7344 1911.1179 2007.3034 107.1038 -15.3983 -1038.7503 153.1282 0.0000 2666.7880 6456.0270 294.5542 3789.2390 6488.6279 298.0515 PRESSURE: 395900 0 0 0 0 0 0 0 0 0 GPRESSURE: 395900 0 0 0 0 0 0 0 0 0 PRESSAVG: 395900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 395900 0 0 0 0 0 0 0 0 0 TIMING: 395900 CPU: 1577.51, 0.00398163/step Wall: 1577.51, 0.00398163/step, 0.115135 hours remaining, 109.652344 MB of memory in use. ENERGY: 395900 662.0866 1931.3794 2010.0661 109.2517 -15.4633 -1080.1927 158.5667 0.0000 2669.1159 6444.8105 294.8113 3775.6946 6478.0724 299.0238 PRESSURE: 396000 0 0 0 0 0 0 0 0 0 GPRESSURE: 396000 0 0 0 0 0 0 0 0 0 PRESSAVG: 396000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396000 0 0 0 0 0 0 0 0 0 TIMING: 396000 CPU: 1577.91, 0.00397448/step Wall: 1577.91, 0.00397447/step, 0.114818 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 396000 645.9636 1916.8586 2026.7634 95.2256 -15.1813 -1059.9938 155.0604 0.0000 2681.7657 6446.4623 296.2085 3764.6966 6481.4715 298.2671 PRESSURE: 396100 0 0 0 0 0 0 0 0 0 GPRESSURE: 396100 0 0 0 0 0 0 0 0 0 PRESSAVG: 396100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396100 0 0 0 0 0 0 0 0 0 TIMING: 396100 CPU: 1578.31, 0.00397217/step Wall: 1578.31, 0.00397218/step, 0.114642 hours remaining, 109.652344 MB of memory in use. ENERGY: 396100 670.4261 1844.8279 1990.0400 101.2096 -14.9613 -1039.1644 156.2369 0.0000 2731.3426 6439.9574 301.6844 3708.6147 6475.9493 298.4362 PRESSURE: 396200 0 0 0 0 0 0 0 0 0 GPRESSURE: 396200 0 0 0 0 0 0 0 0 0 PRESSAVG: 396200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396200 0 0 0 0 0 0 0 0 0 TIMING: 396200 CPU: 1578.71, 0.0039841/step Wall: 1578.71, 0.0039841/step, 0.114875 hours remaining, 109.652344 MB of memory in use. ENERGY: 396200 645.3857 1875.9151 2020.1303 98.0577 -14.5736 -1019.4400 159.5551 0.0000 2668.2544 6433.2846 294.7161 3765.0302 6469.1161 298.6074 LDB: ============= START OF LOAD BALANCING ============== 1581.48 LDB: ============== END OF LOAD BALANCING =============== 1581.48 LDB: =============== DONE WITH MIGRATION ================ 1581.48 PRESSURE: 396300 0 0 0 0 0 0 0 0 0 GPRESSURE: 396300 0 0 0 0 0 0 0 0 0 PRESSAVG: 396300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396300 0 0 0 0 0 0 0 0 0 TIMING: 396300 CPU: 1579.1, 0.00397371/step Wall: 1579.1, 0.00397371/step, 0.114465 hours remaining, 109.652344 MB of memory in use. ENERGY: 396300 648.7206 1832.0716 2017.7459 106.1788 -15.8127 -1038.8634 164.1302 0.0000 2716.7931 6430.9641 300.0774 3714.1710 6467.8434 297.7649 LDB: ============= START OF LOAD BALANCING ============== 1581.88 LDB: ============== END OF LOAD BALANCING =============== 1581.88 LDB: =============== DONE WITH MIGRATION ================ 1581.88 PRESSURE: 396400 0 0 0 0 0 0 0 0 0 GPRESSURE: 396400 0 0 0 0 0 0 0 0 0 PRESSAVG: 396400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396400 0 0 0 0 0 0 0 0 0 TIMING: 396400 CPU: 1579.5, 0.00398042/step Wall: 1579.5, 0.00398042/step, 0.114548 hours remaining, 109.652344 MB of memory in use. ENERGY: 396400 679.6811 1860.8963 1997.5133 110.7578 -15.6541 -1078.2729 153.1116 0.0000 2703.5679 6411.6010 298.6166 3708.0330 6442.5757 297.5744 PRESSURE: 396500 0 0 0 0 0 0 0 0 0 GPRESSURE: 396500 0 0 0 0 0 0 0 0 0 PRESSAVG: 396500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396500 0 0 0 0 0 0 0 0 0 TIMING: 396500 CPU: 1579.9, 0.00397985/step Wall: 1579.9, 0.00397985/step, 0.114421 hours remaining, 109.652344 MB of memory in use. ENERGY: 396500 654.4034 1819.9993 2013.1517 111.2385 -13.4340 -1067.8265 157.3920 0.0000 2682.5289 6357.4533 296.2928 3674.9245 6391.7993 294.5829 PRESSURE: 396600 0 0 0 0 0 0 0 0 0 GPRESSURE: 396600 0 0 0 0 0 0 0 0 0 PRESSAVG: 396600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396600 0 0 0 0 0 0 0 0 0 TIMING: 396600 CPU: 1580.3, 0.00397289/step Wall: 1580.3, 0.00397289/step, 0.11411 hours remaining, 109.652344 MB of memory in use. ENERGY: 396600 662.2950 1814.1742 2021.2037 110.1613 -14.7809 -1065.2920 170.8914 0.0000 2626.5609 6325.2135 290.1110 3698.6526 6358.2015 292.2469 PRESSURE: 396700 0 0 0 0 0 0 0 0 0 GPRESSURE: 396700 0 0 0 0 0 0 0 0 0 PRESSAVG: 396700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396700 0 0 0 0 0 0 0 0 0 TIMING: 396700 CPU: 1580.7, 0.00398042/step Wall: 1580.7, 0.00398042/step, 0.114216 hours remaining, 109.652344 MB of memory in use. ENERGY: 396700 651.3740 1843.0902 1994.7276 104.5506 -15.5852 -1043.4096 144.0477 0.0000 2675.4122 6354.2075 295.5067 3678.7953 6387.6048 292.4344 PRESSURE: 396800 0 0 0 0 0 0 0 0 0 GPRESSURE: 396800 0 0 0 0 0 0 0 0 0 PRESSAVG: 396800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396800 0 0 0 0 0 0 0 0 0 TIMING: 396800 CPU: 1581.09, 0.00397029/step Wall: 1581.09, 0.00397029/step, 0.113815 hours remaining, 109.652344 MB of memory in use. ENERGY: 396800 670.3503 1855.1437 1986.9678 100.3398 -16.9610 -1048.3422 148.7530 0.0000 2706.0623 6402.3138 298.8921 3696.2514 6434.0529 296.1762 PRESSURE: 396900 0 0 0 0 0 0 0 0 0 GPRESSURE: 396900 0 0 0 0 0 0 0 0 0 PRESSAVG: 396900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 396900 0 0 0 0 0 0 0 0 0 TIMING: 396900 CPU: 1581.49, 0.00397311/step Wall: 1581.49, 0.00397311/step, 0.113785 hours remaining, 109.652344 MB of memory in use. ENERGY: 396900 663.2893 1931.7057 1992.2587 106.5425 -15.5169 -1078.2438 182.2312 0.0000 2650.1849 6432.4516 292.7203 3782.2667 6464.0105 295.6687 PRESSURE: 397000 0 0 0 0 0 0 0 0 0 GPRESSURE: 397000 0 0 0 0 0 0 0 0 0 PRESSAVG: 397000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397000 0 0 0 0 0 0 0 0 0 TIMING: 397000 CPU: 1581.89, 0.00398207/step Wall: 1581.89, 0.00398207/step, 0.113931 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 397000 678.5420 1879.5197 1981.9079 100.6723 -15.2045 -1063.6302 161.1036 0.0000 2680.9417 6403.8527 296.1175 3722.9109 6433.6251 297.5304 PRESSURE: 397100 0 0 0 0 0 0 0 0 0 GPRESSURE: 397100 0 0 0 0 0 0 0 0 0 PRESSAVG: 397100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397100 0 0 0 0 0 0 0 0 0 TIMING: 397100 CPU: 1582.29, 0.00397159/step Wall: 1582.29, 0.00397159/step, 0.113521 hours remaining, 109.652344 MB of memory in use. ENERGY: 397100 658.0880 1890.2488 2008.7916 106.3028 -15.4963 -1067.0780 161.6716 0.0000 2673.9528 6416.4813 295.3455 3742.5285 6449.2000 296.2824 PRESSURE: 397200 0 0 0 0 0 0 0 0 0 GPRESSURE: 397200 0 0 0 0 0 0 0 0 0 PRESSAVG: 397200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397200 0 0 0 0 0 0 0 0 0 TIMING: 397200 CPU: 1582.68, 0.00398013/step Wall: 1582.68, 0.00398013/step, 0.113655 hours remaining, 109.652344 MB of memory in use. ENERGY: 397200 631.6348 1894.0833 2001.9801 113.3146 -15.3888 -1042.5071 163.0245 0.0000 2691.5800 6437.7214 297.2925 3746.1414 6470.0267 297.8858 PRESSURE: 397300 0 0 0 0 0 0 0 0 0 GPRESSURE: 397300 0 0 0 0 0 0 0 0 0 PRESSAVG: 397300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397300 0 0 0 0 0 0 0 0 0 TIMING: 397300 CPU: 1583.08, 0.00397095/step Wall: 1583.08, 0.00397095/step, 0.113282 hours remaining, 109.652344 MB of memory in use. ENERGY: 397300 675.1682 1929.2872 2018.0452 90.5283 -13.8351 -1072.6926 163.3480 0.0000 2657.9163 6447.7655 293.5743 3789.8492 6479.1506 298.1455 PRESSURE: 397400 0 0 0 0 0 0 0 0 0 GPRESSURE: 397400 0 0 0 0 0 0 0 0 0 PRESSAVG: 397400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397400 0 0 0 0 0 0 0 0 0 TIMING: 397400 CPU: 1583.48, 0.00397196/step Wall: 1583.48, 0.00397196/step, 0.113201 hours remaining, 109.652344 MB of memory in use. ENERGY: 397400 620.2155 1895.8846 2017.8565 116.8649 -15.1240 -1064.7603 153.0009 0.0000 2717.3218 6441.2600 300.1358 3723.9381 6474.0510 297.1948 PRESSURE: 397500 0 0 0 0 0 0 0 0 0 GPRESSURE: 397500 0 0 0 0 0 0 0 0 0 PRESSAVG: 397500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397500 0 0 0 0 0 0 0 0 0 TIMING: 397500 CPU: 1583.88, 0.00397939/step Wall: 1583.88, 0.00397939/step, 0.113302 hours remaining, 109.652344 MB of memory in use. ENERGY: 397500 651.1744 1927.1643 1990.9215 113.7597 -14.4589 -1051.0708 160.9733 0.0000 2665.9259 6444.3894 294.4589 3778.4636 6477.3967 298.2763 PRESSURE: 397600 0 0 0 0 0 0 0 0 0 GPRESSURE: 397600 0 0 0 0 0 0 0 0 0 PRESSAVG: 397600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397600 0 0 0 0 0 0 0 0 0 TIMING: 397600 CPU: 1584.27, 0.0039704/step Wall: 1584.27, 0.0039704/step, 0.112936 hours remaining, 109.652344 MB of memory in use. ENERGY: 397600 631.6096 1880.4322 2012.5664 103.0927 -13.9904 -1072.6056 160.3215 0.0000 2764.9832 6466.4096 305.4001 3701.4264 6499.6604 299.3833 PRESSURE: 397700 0 0 0 0 0 0 0 0 0 GPRESSURE: 397700 0 0 0 0 0 0 0 0 0 PRESSAVG: 397700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397700 0 0 0 0 0 0 0 0 0 TIMING: 397700 CPU: 1584.67, 0.00398007/step Wall: 1584.67, 0.00398007/step, 0.1131 hours remaining, 109.652344 MB of memory in use. ENERGY: 397700 672.4766 1896.4659 2002.4537 116.9985 -15.9427 -1088.5924 164.2317 0.0000 2721.6595 6469.7507 300.6149 3748.0912 6503.2220 299.4254 PRESSURE: 397800 0 0 0 0 0 0 0 0 0 GPRESSURE: 397800 0 0 0 0 0 0 0 0 0 PRESSAVG: 397800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397800 0 0 0 0 0 0 0 0 0 TIMING: 397800 CPU: 1585.07, 0.00397081/step Wall: 1585.07, 0.00397081/step, 0.112727 hours remaining, 109.652344 MB of memory in use. ENERGY: 397800 663.8630 1905.9021 1998.7549 96.9122 -16.8181 -1048.8329 165.2651 0.0000 2711.2765 6476.3228 299.4680 3765.0463 6507.7766 299.5707 PRESSURE: 397900 0 0 0 0 0 0 0 0 0 GPRESSURE: 397900 0 0 0 0 0 0 0 0 0 PRESSAVG: 397900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 397900 0 0 0 0 0 0 0 0 0 TIMING: 397900 CPU: 1585.46, 0.00397108/step Wall: 1585.46, 0.00397108/step, 0.112624 hours remaining, 109.652344 MB of memory in use. ENERGY: 397900 652.3795 1951.9378 1996.2019 107.5439 -14.9305 -1080.3044 153.2714 0.0000 2687.4515 6453.5511 296.8365 3766.0996 6485.2974 300.1450 PRESSURE: 398000 0 0 0 0 0 0 0 0 0 GPRESSURE: 398000 0 0 0 0 0 0 0 0 0 PRESSAVG: 398000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398000 0 0 0 0 0 0 0 0 0 TIMING: 398000 CPU: 1585.86, 0.00398218/step Wall: 1585.86, 0.00398218/step, 0.112828 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 398000 631.3689 1903.1469 2002.2848 94.0429 -14.2474 -1063.9229 155.4695 0.0000 2742.5167 6450.6595 302.9186 3708.1427 6484.6128 298.8938 PRESSURE: 398100 0 0 0 0 0 0 0 0 0 GPRESSURE: 398100 0 0 0 0 0 0 0 0 0 PRESSAVG: 398100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398100 0 0 0 0 0 0 0 0 0 TIMING: 398100 CPU: 1586.26, 0.0039729/step Wall: 1586.26, 0.0039729/step, 0.112455 hours remaining, 109.652344 MB of memory in use. ENERGY: 398100 686.0207 1885.1544 2023.8211 104.3871 -15.0181 -1048.3613 161.5121 0.0000 2661.7413 6459.2573 293.9967 3797.5160 6491.9617 299.0623 PRESSURE: 398200 0 0 0 0 0 0 0 0 0 GPRESSURE: 398200 0 0 0 0 0 0 0 0 0 PRESSAVG: 398200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398200 0 0 0 0 0 0 0 0 0 TIMING: 398200 CPU: 1586.66, 0.00398228/step Wall: 1586.66, 0.00398227/step, 0.11261 hours remaining, 109.652344 MB of memory in use. ENERGY: 398200 668.1724 1866.7223 2015.3988 99.5069 -15.7126 -1036.4486 164.3229 0.0000 2701.5082 6463.4703 298.3891 3761.9621 6495.5499 298.8940 PRESSURE: 398300 0 0 0 0 0 0 0 0 0 GPRESSURE: 398300 0 0 0 0 0 0 0 0 0 PRESSAVG: 398300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398300 0 0 0 0 0 0 0 0 0 TIMING: 398300 CPU: 1587.06, 0.00397051/step Wall: 1587.06, 0.00397052/step, 0.112167 hours remaining, 109.652344 MB of memory in use. ENERGY: 398300 645.5143 1855.9696 2005.7908 113.5259 -14.8198 -1025.4949 159.7165 0.0000 2709.0448 6449.2472 299.2215 3740.2024 6480.8596 298.9873 PRESSURE: 398400 0 0 0 0 0 0 0 0 0 GPRESSURE: 398400 0 0 0 0 0 0 0 0 0 PRESSAVG: 398400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398400 0 0 0 0 0 0 0 0 0 TIMING: 398400 CPU: 1587.45, 0.00397217/step Wall: 1587.45, 0.00397217/step, 0.112103 hours remaining, 109.652344 MB of memory in use. ENERGY: 398400 647.2859 1916.0916 1980.6358 97.9175 -15.7297 -1049.7259 158.0877 0.0000 2750.8775 6485.4405 303.8421 3734.5630 6518.8723 298.3280 PRESSURE: 398500 0 0 0 0 0 0 0 0 0 GPRESSURE: 398500 0 0 0 0 0 0 0 0 0 PRESSAVG: 398500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398500 0 0 0 0 0 0 0 0 0 TIMING: 398500 CPU: 1587.85, 0.00397719/step Wall: 1587.85, 0.00397719/step, 0.112135 hours remaining, 109.652344 MB of memory in use. ENERGY: 398500 655.7516 1872.4456 2017.6425 87.3286 -14.9006 -1051.7509 151.8599 0.0000 2778.2594 6496.6361 306.8665 3718.3767 6532.9382 299.2991 PRESSURE: 398600 0 0 0 0 0 0 0 0 0 GPRESSURE: 398600 0 0 0 0 0 0 0 0 0 PRESSAVG: 398600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398600 0 0 0 0 0 0 0 0 0 TIMING: 398600 CPU: 1588.25, 0.00397113/step Wall: 1588.25, 0.00397113/step, 0.111853 hours remaining, 109.652344 MB of memory in use. ENERGY: 398600 650.9870 1882.9167 2021.3405 113.4725 -15.7480 -1047.8513 158.9457 0.0000 2737.2904 6501.3534 302.3414 3764.0630 6532.7166 302.5339 PRESSURE: 398700 0 0 0 0 0 0 0 0 0 GPRESSURE: 398700 0 0 0 0 0 0 0 0 0 PRESSAVG: 398700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398700 0 0 0 0 0 0 0 0 0 TIMING: 398700 CPU: 1588.65, 0.00397737/step Wall: 1588.65, 0.00397737/step, 0.111919 hours remaining, 109.652344 MB of memory in use. ENERGY: 398700 639.4276 1901.3017 2015.9393 100.5434 -15.9609 -1062.7830 161.2372 0.0000 2750.0429 6489.7483 303.7499 3739.7053 6523.7054 300.5784 PRESSURE: 398800 0 0 0 0 0 0 0 0 0 GPRESSURE: 398800 0 0 0 0 0 0 0 0 0 PRESSAVG: 398800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398800 0 0 0 0 0 0 0 0 0 TIMING: 398800 CPU: 1589.04, 0.00396825/step Wall: 1589.04, 0.00396824/step, 0.111552 hours remaining, 109.652344 MB of memory in use. ENERGY: 398800 676.3973 1890.3690 1994.1936 98.2002 -15.3727 -1052.6818 166.4434 0.0000 2738.7882 6496.3372 302.5068 3757.5491 6529.9075 301.8813 PRESSURE: 398900 0 0 0 0 0 0 0 0 0 GPRESSURE: 398900 0 0 0 0 0 0 0 0 0 PRESSAVG: 398900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 398900 0 0 0 0 0 0 0 0 0 TIMING: 398900 CPU: 1589.44, 0.00397118/step Wall: 1589.44, 0.00397119/step, 0.111524 hours remaining, 109.652344 MB of memory in use. ENERGY: 398900 640.9132 1864.0711 1999.9065 110.9641 -15.5214 -1025.5766 162.2414 0.0000 2739.4803 6476.4785 302.5832 3736.9982 6510.3491 300.9654 PRESSURE: 399000 0 0 0 0 0 0 0 0 0 GPRESSURE: 399000 0 0 0 0 0 0 0 0 0 PRESSAVG: 399000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399000 0 0 0 0 0 0 0 0 0 TIMING: 399000 CPU: 1589.84, 0.00397914/step Wall: 1589.84, 0.00397914/step, 0.111637 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 399000 665.9387 1857.7011 1986.3005 100.8124 -14.7950 -1014.6050 156.2095 0.0000 2694.3387 6431.9008 297.5972 3737.5621 6462.9010 298.1352 PRESSURE: 399100 0 0 0 0 0 0 0 0 0 GPRESSURE: 399100 0 0 0 0 0 0 0 0 0 PRESSAVG: 399100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399100 0 0 0 0 0 0 0 0 0 TIMING: 399100 CPU: 1590.23, 0.0039705/step Wall: 1590.23, 0.0039705/step, 0.111284 hours remaining, 109.652344 MB of memory in use. ENERGY: 399100 650.7255 1808.3600 2005.3740 120.4207 -15.1981 -1080.8536 165.6077 0.0000 2793.1152 6447.5514 308.5074 3654.4362 6483.1294 298.2181 PRESSURE: 399200 0 0 0 0 0 0 0 0 0 GPRESSURE: 399200 0 0 0 0 0 0 0 0 0 PRESSAVG: 399200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399200 0 0 0 0 0 0 0 0 0 TIMING: 399200 CPU: 1590.63, 0.0039816/step Wall: 1590.63, 0.0039816/step, 0.111485 hours remaining, 109.652344 MB of memory in use. ENERGY: 399200 622.1625 1836.1012 2010.9029 104.9857 -14.7457 -1041.0162 153.7013 0.0000 2732.7315 6404.8231 301.8378 3672.0916 6437.2971 297.1589 PRESSURE: 399300 0 0 0 0 0 0 0 0 0 GPRESSURE: 399300 0 0 0 0 0 0 0 0 0 PRESSAVG: 399300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399300 0 0 0 0 0 0 0 0 0 TIMING: 399300 CPU: 1591.03, 0.00396894/step Wall: 1591.03, 0.00396894/step, 0.11102 hours remaining, 109.652344 MB of memory in use. ENERGY: 399300 681.9530 1838.9020 2020.8082 95.2466 -15.1827 -1082.4953 165.8449 0.0000 2722.6461 6427.7227 300.7238 3705.0766 6462.3653 297.2574 PRESSURE: 399400 0 0 0 0 0 0 0 0 0 GPRESSURE: 399400 0 0 0 0 0 0 0 0 0 PRESSAVG: 399400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399400 0 0 0 0 0 0 0 0 0 TIMING: 399400 CPU: 1591.43, 0.00396953/step Wall: 1591.43, 0.00396953/step, 0.110926 hours remaining, 109.652344 MB of memory in use. ENERGY: 399400 639.9593 1870.3366 2021.0025 102.5717 -16.4848 -1048.8308 157.6303 0.0000 2680.6471 6406.8319 296.0849 3726.1848 6442.5309 297.3170 PRESSURE: 399500 0 0 0 0 0 0 0 0 0 GPRESSURE: 399500 0 0 0 0 0 0 0 0 0 PRESSAVG: 399500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399500 0 0 0 0 0 0 0 0 0 TIMING: 399500 CPU: 1591.82, 0.00396935/step Wall: 1591.82, 0.00396935/step, 0.110811 hours remaining, 109.652344 MB of memory in use. ENERGY: 399500 614.5353 1876.0948 2028.5839 102.7462 -15.1373 -1053.3787 163.4376 0.0000 2698.8784 6415.7602 298.0986 3716.8819 6449.5063 297.3212 PRESSURE: 399600 0 0 0 0 0 0 0 0 0 GPRESSURE: 399600 0 0 0 0 0 0 0 0 0 PRESSAVG: 399600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399600 0 0 0 0 0 0 0 0 0 TIMING: 399600 CPU: 1592.22, 0.00396876/step Wall: 1592.22, 0.00396876/step, 0.110684 hours remaining, 109.652344 MB of memory in use. ENERGY: 399600 674.4886 1865.2399 2017.0606 98.7094 -15.0217 -1063.0061 165.5958 0.0000 2664.5899 6407.6566 294.3114 3743.0667 6440.5669 296.8740 PRESSURE: 399700 0 0 0 0 0 0 0 0 0 GPRESSURE: 399700 0 0 0 0 0 0 0 0 0 PRESSAVG: 399700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399700 0 0 0 0 0 0 0 0 0 TIMING: 399700 CPU: 1592.62, 0.00397065/step Wall: 1592.62, 0.00397065/step, 0.110627 hours remaining, 109.652344 MB of memory in use. ENERGY: 399700 658.1529 1901.7598 1967.4463 96.0983 -15.1226 -1057.7759 159.8398 0.0000 2677.9945 6388.3931 295.7920 3710.3986 6419.0403 294.6316 PRESSURE: 399800 0 0 0 0 0 0 0 0 0 GPRESSURE: 399800 0 0 0 0 0 0 0 0 0 PRESSAVG: 399800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399800 0 0 0 0 0 0 0 0 0 TIMING: 399800 CPU: 1593.01, 0.00397094/step Wall: 1593.01, 0.00397094/step, 0.110524 hours remaining, 109.652344 MB of memory in use. ENERGY: 399800 630.1558 1868.6834 1972.5370 102.9362 -15.3689 -1046.7620 158.1668 0.0000 2727.7285 6398.0767 301.2852 3670.3482 6430.5808 295.6297 PRESSURE: 399900 0 0 0 0 0 0 0 0 0 GPRESSURE: 399900 0 0 0 0 0 0 0 0 0 PRESSAVG: 399900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 399900 0 0 0 0 0 0 0 0 0 TIMING: 399900 CPU: 1593.41, 0.00398968/step Wall: 1593.41, 0.00398968/step, 0.110935 hours remaining, 109.652344 MB of memory in use. ENERGY: 399900 674.2205 1846.5025 2011.5106 99.2085 -15.9706 -1053.9662 147.3750 0.0000 2668.8450 6377.7252 294.7814 3708.8801 6410.2434 294.7095 PRESSURE: 400000 0 0 0 0 0 0 0 0 0 GPRESSURE: 400000 0 0 0 0 0 0 0 0 0 PRESSAVG: 400000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400000 0 0 0 0 0 0 0 0 0 TIMING: 400000 CPU: 1593.81, 0.00397164/step Wall: 1593.81, 0.00397164/step, 0.110323 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 400000 646.7748 1852.6475 2017.1669 106.1617 -15.4071 -1067.0761 151.0180 0.0000 2705.3366 6396.6223 298.8120 3691.2857 6432.2558 295.4547 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 400100 0 0 0 0 0 0 0 0 0 GPRESSURE: 400100 0 0 0 0 0 0 0 0 0 PRESSAVG: 400100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400100 0 0 0 0 0 0 0 0 0 TIMING: 400100 CPU: 1594.3, 0.00491432/step Wall: 1594.3, 0.00491432/step, 0.136372 hours remaining, 109.652344 MB of memory in use. ENERGY: 400100 649.6004 1897.9136 2011.8470 91.5110 -15.2104 -1048.2041 158.8670 0.0000 2654.9199 6401.2443 293.2433 3746.3244 6432.3152 296.5339 PRESSURE: 400200 0 0 0 0 0 0 0 0 0 GPRESSURE: 400200 0 0 0 0 0 0 0 0 0 PRESSAVG: 400200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400200 0 0 0 0 0 0 0 0 0 TIMING: 400200 CPU: 1594.7, 0.00396794/step Wall: 1594.7, 0.00396794/step, 0.11 hours remaining, 109.652344 MB of memory in use. ENERGY: 400200 648.0379 1853.3407 2020.8759 101.5611 -14.4704 -1040.0024 162.5150 0.0000 2664.1239 6395.9815 294.2599 3731.8577 6428.9210 295.7254 LDB: ============= START OF LOAD BALANCING ============== 1597.47 LDB: ============== END OF LOAD BALANCING =============== 1597.47 LDB: =============== DONE WITH MIGRATION ================ 1597.47 PRESSURE: 400300 0 0 0 0 0 0 0 0 0 GPRESSURE: 400300 0 0 0 0 0 0 0 0 0 PRESSAVG: 400300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400300 0 0 0 0 0 0 0 0 0 TIMING: 400300 CPU: 1595.1, 0.00398228/step Wall: 1595.1, 0.00398228/step, 0.110287 hours remaining, 109.652344 MB of memory in use. ENERGY: 400300 614.6017 1860.0572 2001.5843 101.0894 -14.4293 -999.1169 151.9799 0.0000 2652.2805 6368.0468 292.9518 3715.7663 6401.7676 294.7064 LDB: ============= START OF LOAD BALANCING ============== 1597.87 LDB: ============== END OF LOAD BALANCING =============== 1597.87 LDB: =============== DONE WITH MIGRATION ================ 1597.87 PRESSURE: 400400 0 0 0 0 0 0 0 0 0 GPRESSURE: 400400 0 0 0 0 0 0 0 0 0 PRESSAVG: 400400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400400 0 0 0 0 0 0 0 0 0 TIMING: 400400 CPU: 1595.49, 0.00398054/step Wall: 1595.49, 0.00398054/step, 0.110128 hours remaining, 109.652344 MB of memory in use. ENERGY: 400400 635.7519 1891.1887 1982.4804 112.3533 -14.9024 -1070.3172 149.7801 0.0000 2662.2730 6348.6079 294.0555 3686.3349 6380.2983 293.0322 PRESSURE: 400500 0 0 0 0 0 0 0 0 0 GPRESSURE: 400500 0 0 0 0 0 0 0 0 0 PRESSAVG: 400500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400500 0 0 0 0 0 0 0 0 0 TIMING: 400500 CPU: 1595.89, 0.00396834/step Wall: 1595.89, 0.00396834/step, 0.109681 hours remaining, 109.652344 MB of memory in use. ENERGY: 400500 650.8983 1822.0970 2023.8811 120.1231 -16.2345 -1021.3271 167.0223 0.0000 2648.4063 6394.8664 292.5239 3746.4601 6424.3748 295.5561 PRESSURE: 400600 0 0 0 0 0 0 0 0 0 GPRESSURE: 400600 0 0 0 0 0 0 0 0 0 PRESSAVG: 400600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400600 0 0 0 0 0 0 0 0 0 TIMING: 400600 CPU: 1596.29, 0.00398423/step Wall: 1596.29, 0.00398423/step, 0.110009 hours remaining, 109.652344 MB of memory in use. ENERGY: 400600 661.2866 1845.2372 2021.4318 101.8085 -15.2473 -1059.1669 173.6335 0.0000 2642.4802 6371.4635 291.8693 3728.9833 6404.2154 295.2521 PRESSURE: 400700 0 0 0 0 0 0 0 0 0 GPRESSURE: 400700 0 0 0 0 0 0 0 0 0 PRESSAVG: 400700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400700 0 0 0 0 0 0 0 0 0 TIMING: 400700 CPU: 1596.69, 0.00397139/step Wall: 1596.69, 0.00397139/step, 0.109544 hours remaining, 109.652344 MB of memory in use. ENERGY: 400700 641.4943 1870.2700 2004.3086 118.5228 -15.1920 -1029.4993 157.4425 0.0000 2621.7841 6369.1310 289.5834 3747.3469 6401.3134 293.4512 PRESSURE: 400800 0 0 0 0 0 0 0 0 0 GPRESSURE: 400800 0 0 0 0 0 0 0 0 0 PRESSAVG: 400800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400800 0 0 0 0 0 0 0 0 0 TIMING: 400800 CPU: 1597.08, 0.00396991/step Wall: 1597.08, 0.00396991/step, 0.109393 hours remaining, 109.652344 MB of memory in use. ENERGY: 400800 630.1449 1872.7862 2013.1642 104.4810 -15.4156 -1054.8346 157.3079 0.0000 2673.0096 6380.6435 295.2414 3707.6339 6410.3334 294.8353 PRESSURE: 400900 0 0 0 0 0 0 0 0 0 GPRESSURE: 400900 0 0 0 0 0 0 0 0 0 PRESSAVG: 400900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 400900 0 0 0 0 0 0 0 0 0 TIMING: 400900 CPU: 1597.48, 0.00398256/step Wall: 1597.48, 0.00398256/step, 0.109631 hours remaining, 109.652344 MB of memory in use. ENERGY: 400900 648.3757 1774.2052 2053.9026 117.5459 -14.6364 -1065.2210 160.2341 0.0000 2691.1016 6365.5077 297.2397 3674.4061 6400.4761 294.7228 PRESSURE: 401000 0 0 0 0 0 0 0 0 0 GPRESSURE: 401000 0 0 0 0 0 0 0 0 0 PRESSAVG: 401000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401000 0 0 0 0 0 0 0 0 0 TIMING: 401000 CPU: 1597.88, 0.00397181/step Wall: 1597.88, 0.00397181/step, 0.109225 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 401000 674.5395 1829.8351 2030.6172 94.4863 -14.7798 -1094.3370 165.0708 0.0000 2715.3846 6400.8165 299.9218 3685.4320 6434.8580 295.1236 PRESSURE: 401100 0 0 0 0 0 0 0 0 0 GPRESSURE: 401100 0 0 0 0 0 0 0 0 0 PRESSAVG: 401100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401100 0 0 0 0 0 0 0 0 0 TIMING: 401100 CPU: 1598.28, 0.00397958/step Wall: 1598.28, 0.00397958/step, 0.109328 hours remaining, 109.652344 MB of memory in use. ENERGY: 401100 624.5250 1858.1701 2040.5139 105.6662 -14.9350 -1076.8600 156.8071 0.0000 2696.2926 6390.1799 297.8130 3693.8873 6423.8054 295.9893 PRESSURE: 401200 0 0 0 0 0 0 0 0 0 GPRESSURE: 401200 0 0 0 0 0 0 0 0 0 PRESSAVG: 401200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401200 0 0 0 0 0 0 0 0 0 TIMING: 401200 CPU: 1598.67, 0.00396932/step Wall: 1598.67, 0.00396932/step, 0.108936 hours remaining, 109.652344 MB of memory in use. ENERGY: 401200 614.1252 1848.0411 2025.6510 97.9520 -14.3348 -1032.5705 156.8543 0.0000 2672.5851 6368.3033 295.1945 3695.7182 6401.7234 294.4066 PRESSURE: 401300 0 0 0 0 0 0 0 0 0 GPRESSURE: 401300 0 0 0 0 0 0 0 0 0 PRESSAVG: 401300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401300 0 0 0 0 0 0 0 0 0 TIMING: 401300 CPU: 1599.07, 0.00396911/step Wall: 1599.07, 0.00396911/step, 0.10882 hours remaining, 109.652344 MB of memory in use. ENERGY: 401300 609.3527 1824.9963 2023.4040 100.4716 -13.7500 -1043.3943 165.2838 0.0000 2681.8708 6348.2349 296.2201 3666.3641 6381.7853 294.3438 PRESSURE: 401400 0 0 0 0 0 0 0 0 0 GPRESSURE: 401400 0 0 0 0 0 0 0 0 0 PRESSAVG: 401400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401400 0 0 0 0 0 0 0 0 0 TIMING: 401400 CPU: 1599.47, 0.003983/step Wall: 1599.47, 0.003983/step, 0.10909 hours remaining, 109.652344 MB of memory in use. ENERGY: 401400 627.9238 1895.0830 1990.4661 99.9716 -13.1692 -1074.3823 183.9269 0.0000 2645.7973 6355.6172 292.2357 3709.8199 6385.4293 293.4143 PRESSURE: 401500 0 0 0 0 0 0 0 0 0 GPRESSURE: 401500 0 0 0 0 0 0 0 0 0 PRESSAVG: 401500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401500 0 0 0 0 0 0 0 0 0 TIMING: 401500 CPU: 1599.87, 0.00396969/step Wall: 1599.87, 0.00396969/step, 0.108615 hours remaining, 109.652344 MB of memory in use. ENERGY: 401500 647.9883 1845.7355 2010.7886 99.3569 -15.7952 -1032.6755 166.0639 0.0000 2652.4836 6373.9461 292.9742 3721.4625 6402.6988 293.2869 PRESSURE: 401600 0 0 0 0 0 0 0 0 0 GPRESSURE: 401600 0 0 0 0 0 0 0 0 0 PRESSAVG: 401600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401600 0 0 0 0 0 0 0 0 0 TIMING: 401600 CPU: 1600.26, 0.00398138/step Wall: 1600.26, 0.00398138/step, 0.108824 hours remaining, 109.652344 MB of memory in use. ENERGY: 401600 666.0410 1836.7198 2032.3687 106.8109 -15.8144 -1061.5445 159.0969 0.0000 2672.6014 6396.2799 295.1963 3723.6784 6427.3758 295.4686 PRESSURE: 401700 0 0 0 0 0 0 0 0 0 GPRESSURE: 401700 0 0 0 0 0 0 0 0 0 PRESSAVG: 401700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401700 0 0 0 0 0 0 0 0 0 TIMING: 401700 CPU: 1600.66, 0.00397121/step Wall: 1600.66, 0.00397121/step, 0.108436 hours remaining, 109.652344 MB of memory in use. ENERGY: 401700 647.8148 1821.6768 2001.7479 102.8540 -14.4155 -1019.7741 166.8881 0.0000 2728.7039 6435.4960 301.3930 3706.7921 6470.8939 296.4909 PRESSURE: 401800 0 0 0 0 0 0 0 0 0 GPRESSURE: 401800 0 0 0 0 0 0 0 0 0 PRESSAVG: 401800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401800 0 0 0 0 0 0 0 0 0 TIMING: 401800 CPU: 1601.06, 0.00397/step Wall: 1601.06, 0.00397/step, 0.108293 hours remaining, 109.652344 MB of memory in use. ENERGY: 401800 646.9255 1909.6723 1980.8776 110.3192 -14.3171 -1035.3355 167.8123 0.0000 2693.9661 6459.9204 297.5561 3765.9543 6491.2230 297.6667 PRESSURE: 401900 0 0 0 0 0 0 0 0 0 GPRESSURE: 401900 0 0 0 0 0 0 0 0 0 PRESSAVG: 401900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 401900 0 0 0 0 0 0 0 0 0 TIMING: 401900 CPU: 1601.46, 0.00398199/step Wall: 1601.46, 0.00398199/step, 0.108509 hours remaining, 109.652344 MB of memory in use. ENERGY: 401900 645.1598 1873.2765 2015.6405 101.6880 -13.7598 -1048.9838 168.4255 0.0000 2742.2336 6483.6802 302.8873 3741.4466 6517.8127 300.2659 PRESSURE: 402000 0 0 0 0 0 0 0 0 0 GPRESSURE: 402000 0 0 0 0 0 0 0 0 0 PRESSAVG: 402000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402000 0 0 0 0 0 0 0 0 0 TIMING: 402000 CPU: 1601.85, 0.00397132/step Wall: 1601.85, 0.00397132/step, 0.108108 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 402000 661.5076 1870.7705 2030.9064 103.9316 -14.4670 -1051.8379 172.7043 0.0000 2729.5860 6503.1015 301.4904 3773.5155 6536.8242 300.7731 PRESSURE: 402100 0 0 0 0 0 0 0 0 0 GPRESSURE: 402100 0 0 0 0 0 0 0 0 0 PRESSAVG: 402100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402100 0 0 0 0 0 0 0 0 0 TIMING: 402100 CPU: 1602.25, 0.00398181/step Wall: 1602.25, 0.00398181/step, 0.108283 hours remaining, 109.652344 MB of memory in use. ENERGY: 402100 655.8354 1849.5916 2063.7815 106.6819 -15.3060 -1044.4357 164.1006 0.0000 2710.8876 6491.1369 299.4251 3780.2493 6523.1854 300.5381 PRESSURE: 402200 0 0 0 0 0 0 0 0 0 GPRESSURE: 402200 0 0 0 0 0 0 0 0 0 PRESSAVG: 402200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402200 0 0 0 0 0 0 0 0 0 TIMING: 402200 CPU: 1602.65, 0.00397045/step Wall: 1602.65, 0.00397045/step, 0.107864 hours remaining, 109.652344 MB of memory in use. ENERGY: 402200 648.9313 1824.7914 2059.6572 105.6168 -15.8977 -1061.5540 168.2612 0.0000 2731.6597 6461.4659 301.7194 3729.8061 6493.7565 299.4163 PRESSURE: 402300 0 0 0 0 0 0 0 0 0 GPRESSURE: 402300 0 0 0 0 0 0 0 0 0 PRESSAVG: 402300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402300 0 0 0 0 0 0 0 0 0 TIMING: 402300 CPU: 1603.05, 0.00396884/step Wall: 1603.05, 0.00396884/step, 0.10771 hours remaining, 109.652344 MB of memory in use. ENERGY: 402300 627.2207 1914.6949 2046.3031 97.1018 -14.6316 -1057.6855 156.7136 0.0000 2657.5805 6427.2974 293.5372 3769.7170 6459.1514 299.2843 PRESSURE: 402400 0 0 0 0 0 0 0 0 0 GPRESSURE: 402400 0 0 0 0 0 0 0 0 0 PRESSAVG: 402400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402400 0 0 0 0 0 0 0 0 0 TIMING: 402400 CPU: 1603.44, 0.00398194/step Wall: 1603.44, 0.00398194/step, 0.107955 hours remaining, 109.652344 MB of memory in use. ENERGY: 402400 654.6574 1873.1017 2027.9084 106.0335 -16.1571 -1071.0829 168.8180 0.0000 2689.4783 6432.7572 297.0604 3743.2789 6463.5735 296.2294 PRESSURE: 402500 0 0 0 0 0 0 0 0 0 GPRESSURE: 402500 0 0 0 0 0 0 0 0 0 PRESSAVG: 402500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402500 0 0 0 0 0 0 0 0 0 TIMING: 402500 CPU: 1603.84, 0.00397006/step Wall: 1603.84, 0.00397006/step, 0.107522 hours remaining, 109.652344 MB of memory in use. ENERGY: 402500 663.5342 1858.6727 1998.4346 119.5140 -15.1262 -1078.5965 157.2595 0.0000 2711.8574 6415.5497 299.5322 3703.6923 6449.4308 296.1901 PRESSURE: 402600 0 0 0 0 0 0 0 0 0 GPRESSURE: 402600 0 0 0 0 0 0 0 0 0 PRESSAVG: 402600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402600 0 0 0 0 0 0 0 0 0 TIMING: 402600 CPU: 1604.24, 0.00398005/step Wall: 1604.24, 0.00398005/step, 0.107682 hours remaining, 109.652344 MB of memory in use. ENERGY: 402600 660.1085 1851.2721 2033.2933 103.3958 -15.0831 -1052.0577 160.4833 0.0000 2690.3009 6431.7130 297.1512 3741.4121 6466.9388 297.1070 PRESSURE: 402700 0 0 0 0 0 0 0 0 0 GPRESSURE: 402700 0 0 0 0 0 0 0 0 0 PRESSAVG: 402700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402700 0 0 0 0 0 0 0 0 0 TIMING: 402700 CPU: 1604.64, 0.00397079/step Wall: 1604.64, 0.00397079/step, 0.107322 hours remaining, 109.652344 MB of memory in use. ENERGY: 402700 655.2690 1879.3184 2015.3049 113.2207 -15.2803 -1062.4906 161.5358 0.0000 2702.5489 6449.4269 298.5041 3746.8779 6484.5569 298.4101 PRESSURE: 402800 0 0 0 0 0 0 0 0 0 GPRESSURE: 402800 0 0 0 0 0 0 0 0 0 PRESSAVG: 402800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402800 0 0 0 0 0 0 0 0 0 TIMING: 402800 CPU: 1605.03, 0.00396978/step Wall: 1605.03, 0.00396978/step, 0.107184 hours remaining, 109.652344 MB of memory in use. ENERGY: 402800 671.7894 1861.3341 2038.2562 100.2894 -14.6081 -1078.0039 160.1548 0.0000 2736.6753 6475.8872 302.2734 3739.2118 6505.8558 299.5755 PRESSURE: 402900 0 0 0 0 0 0 0 0 0 GPRESSURE: 402900 0 0 0 0 0 0 0 0 0 PRESSAVG: 402900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 402900 0 0 0 0 0 0 0 0 0 TIMING: 402900 CPU: 1605.43, 0.00398345/step Wall: 1605.43, 0.00398345/step, 0.107442 hours remaining, 109.652344 MB of memory in use. ENERGY: 402900 673.4412 1925.0854 2018.4053 110.8926 -15.4548 -1066.8004 147.5661 0.0000 2700.2363 6493.3716 298.2486 3793.1353 6524.5844 300.8039 PRESSURE: 403000 0 0 0 0 0 0 0 0 0 GPRESSURE: 403000 0 0 0 0 0 0 0 0 0 PRESSAVG: 403000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403000 0 0 0 0 0 0 0 0 0 TIMING: 403000 CPU: 1605.83, 0.00396674/step Wall: 1605.83, 0.00396674/step, 0.106882 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 403000 669.9811 1879.7170 2018.9243 106.8627 -14.9412 -1048.4712 167.0410 0.0000 2710.8026 6489.9163 299.4157 3779.1138 6523.7306 301.8828 PRESSURE: 403100 0 0 0 0 0 0 0 0 0 GPRESSURE: 403100 0 0 0 0 0 0 0 0 0 PRESSAVG: 403100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403100 0 0 0 0 0 0 0 0 0 TIMING: 403100 CPU: 1606.23, 0.00398078/step Wall: 1606.23, 0.00398078/step, 0.107149 hours remaining, 109.652344 MB of memory in use. ENERGY: 403100 642.5807 1909.9166 2034.0274 104.5102 -15.4504 -1076.9141 154.4564 0.0000 2690.4194 6443.5463 297.1643 3753.1269 6479.1530 299.2936 PRESSURE: 403200 0 0 0 0 0 0 0 0 0 GPRESSURE: 403200 0 0 0 0 0 0 0 0 0 PRESSAVG: 403200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403200 0 0 0 0 0 0 0 0 0 TIMING: 403200 CPU: 1606.62, 0.0039684/step Wall: 1606.62, 0.0039684/step, 0.106706 hours remaining, 109.652344 MB of memory in use. ENERGY: 403200 661.6943 1844.3162 2009.7649 106.3675 -15.8665 -1074.9498 156.5803 0.0000 2758.5201 6446.4270 304.6862 3687.9068 6482.7357 297.6609 PRESSURE: 403300 0 0 0 0 0 0 0 0 0 GPRESSURE: 403300 0 0 0 0 0 0 0 0 0 PRESSAVG: 403300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403300 0 0 0 0 0 0 0 0 0 TIMING: 403300 CPU: 1607.02, 0.00397057/step Wall: 1607.02, 0.00397057/step, 0.106654 hours remaining, 109.652344 MB of memory in use. ENERGY: 403300 679.6416 1876.7275 1999.8075 100.7609 -15.0897 -1081.3228 162.3673 0.0000 2706.2234 6429.1158 298.9099 3722.8923 6463.0113 298.9868 PRESSURE: 403400 0 0 0 0 0 0 0 0 0 GPRESSURE: 403400 0 0 0 0 0 0 0 0 0 PRESSAVG: 403400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403400 0 0 0 0 0 0 0 0 0 TIMING: 403400 CPU: 1607.42, 0.00398169/step Wall: 1607.42, 0.00398169/step, 0.106842 hours remaining, 109.652344 MB of memory in use. ENERGY: 403400 659.3188 1845.5129 2041.0300 102.1028 -14.2594 -1021.6365 160.4086 0.0000 2668.9587 6441.4359 294.7939 3772.4772 6476.8953 297.7116 PRESSURE: 403500 0 0 0 0 0 0 0 0 0 GPRESSURE: 403500 0 0 0 0 0 0 0 0 0 PRESSAVG: 403500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403500 0 0 0 0 0 0 0 0 0 TIMING: 403500 CPU: 1607.82, 0.00396994/step Wall: 1607.82, 0.00396994/step, 0.106416 hours remaining, 109.652344 MB of memory in use. ENERGY: 403500 650.7638 1849.6220 2007.7723 88.5137 -14.8487 -1056.8218 163.3973 0.0000 2723.4666 6411.8651 300.8145 3688.3985 6444.8621 297.6020 PRESSURE: 403600 0 0 0 0 0 0 0 0 0 GPRESSURE: 403600 0 0 0 0 0 0 0 0 0 PRESSAVG: 403600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403600 0 0 0 0 0 0 0 0 0 TIMING: 403600 CPU: 1608.21, 0.00398187/step Wall: 1608.21, 0.00398187/step, 0.106626 hours remaining, 109.652344 MB of memory in use. ENERGY: 403600 668.1760 1826.2676 2018.6184 99.7712 -14.1372 -1067.8368 157.4266 0.0000 2709.7456 6398.0313 299.2989 3688.2858 6431.2240 296.9071 PRESSURE: 403700 0 0 0 0 0 0 0 0 0 GPRESSURE: 403700 0 0 0 0 0 0 0 0 0 PRESSAVG: 403700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403700 0 0 0 0 0 0 0 0 0 TIMING: 403700 CPU: 1608.61, 0.00396875/step Wall: 1608.61, 0.00396875/step, 0.106164 hours remaining, 109.652344 MB of memory in use. ENERGY: 403700 662.8878 1838.1934 1986.6113 96.8502 -14.2554 -1051.2053 168.5300 0.0000 2658.2509 6345.8628 293.6112 3687.6120 6378.0785 293.9273 PRESSURE: 403800 0 0 0 0 0 0 0 0 0 GPRESSURE: 403800 0 0 0 0 0 0 0 0 0 PRESSAVG: 403800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403800 0 0 0 0 0 0 0 0 0 TIMING: 403800 CPU: 1609.01, 0.00397204/step Wall: 1609.01, 0.00397204/step, 0.106142 hours remaining, 109.652344 MB of memory in use. ENERGY: 403800 687.4628 1804.0286 1991.2540 100.8251 -16.0204 -1020.0353 148.2027 0.0000 2678.3985 6374.1160 295.8366 3695.7176 6407.4631 294.6912 PRESSURE: 403900 0 0 0 0 0 0 0 0 0 GPRESSURE: 403900 0 0 0 0 0 0 0 0 0 PRESSAVG: 403900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 403900 0 0 0 0 0 0 0 0 0 TIMING: 403900 CPU: 1609.41, 0.00398296/step Wall: 1609.41, 0.00398296/step, 0.106323 hours remaining, 109.652344 MB of memory in use. ENERGY: 403900 622.8546 1857.7225 1967.3342 98.2006 -15.6409 -1036.9570 156.2406 0.0000 2714.5235 6364.2782 299.8267 3649.7546 6397.8758 294.2193 PRESSURE: 404000 0 0 0 0 0 0 0 0 0 GPRESSURE: 404000 0 0 0 0 0 0 0 0 0 PRESSAVG: 404000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404000 0 0 0 0 0 0 0 0 0 TIMING: 404000 CPU: 1609.8, 0.0039688/step Wall: 1609.8, 0.0039688/step, 0.105835 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 404000 653.9881 1831.4253 1993.1469 111.0948 -15.2709 -1037.8821 146.7862 0.0000 2700.7899 6384.0782 298.3098 3683.2883 6416.4102 296.3766 PRESSURE: 404100 0 0 0 0 0 0 0 0 0 GPRESSURE: 404100 0 0 0 0 0 0 0 0 0 PRESSAVG: 404100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404100 0 0 0 0 0 0 0 0 0 TIMING: 404100 CPU: 1610.2, 0.00398288/step Wall: 1610.2, 0.00398288/step, 0.1061 hours remaining, 109.652344 MB of memory in use. ENERGY: 404100 660.5992 1852.1094 1992.5698 109.9316 -15.2210 -1070.5494 171.1044 0.0000 2703.4321 6403.9761 298.6016 3700.5440 6435.2587 296.0924 PRESSURE: 404200 0 0 0 0 0 0 0 0 0 GPRESSURE: 404200 0 0 0 0 0 0 0 0 0 PRESSAVG: 404200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404200 0 0 0 0 0 0 0 0 0 TIMING: 404200 CPU: 1610.6, 0.00397086/step Wall: 1610.6, 0.00397086/step, 0.105669 hours remaining, 109.652344 MB of memory in use. ENERGY: 404200 680.2610 1844.6732 2026.1028 102.7958 -15.9102 -1065.7550 162.4854 0.0000 2699.5190 6434.1722 298.1694 3734.6531 6468.2888 295.9495 LDB: ============= START OF LOAD BALANCING ============== 1613.37 LDB: ============== END OF LOAD BALANCING =============== 1613.37 LDB: =============== DONE WITH MIGRATION ================ 1613.37 PRESSURE: 404300 0 0 0 0 0 0 0 0 0 GPRESSURE: 404300 0 0 0 0 0 0 0 0 0 PRESSAVG: 404300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404300 0 0 0 0 0 0 0 0 0 TIMING: 404300 CPU: 1611, 0.00397106/step Wall: 1611, 0.00397106/step, 0.105564 hours remaining, 109.652344 MB of memory in use. ENERGY: 404300 686.2005 1859.7845 2017.9998 113.0417 -15.9147 -1056.2900 161.0825 0.0000 2668.0888 6433.9931 294.6978 3765.9043 6465.1452 297.1684 LDB: ============= START OF LOAD BALANCING ============== 1613.77 LDB: ============== END OF LOAD BALANCING =============== 1613.77 LDB: =============== DONE WITH MIGRATION ================ 1613.77 PRESSURE: 404400 0 0 0 0 0 0 0 0 0 GPRESSURE: 404400 0 0 0 0 0 0 0 0 0 PRESSAVG: 404400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404400 0 0 0 0 0 0 0 0 0 TIMING: 404400 CPU: 1611.39, 0.00399241/step Wall: 1611.39, 0.00399241/step, 0.106021 hours remaining, 109.652344 MB of memory in use. ENERGY: 404400 684.3425 1855.1564 2025.8924 108.6793 -15.4457 -1102.2228 172.6264 0.0000 2729.9306 6458.9590 301.5284 3729.0285 6490.4942 299.2507 PRESSURE: 404500 0 0 0 0 0 0 0 0 0 GPRESSURE: 404500 0 0 0 0 0 0 0 0 0 PRESSAVG: 404500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404500 0 0 0 0 0 0 0 0 0 TIMING: 404500 CPU: 1611.79, 0.00396984/step Wall: 1611.79, 0.00396984/step, 0.105311 hours remaining, 109.652344 MB of memory in use. ENERGY: 404500 700.2554 1847.8156 2026.3867 107.5216 -14.8857 -1059.7098 154.4300 0.0000 2734.9254 6496.7393 302.0801 3761.8138 6526.8779 299.5477 PRESSURE: 404600 0 0 0 0 0 0 0 0 0 GPRESSURE: 404600 0 0 0 0 0 0 0 0 0 PRESSAVG: 404600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404600 0 0 0 0 0 0 0 0 0 TIMING: 404600 CPU: 1612.19, 0.00397593/step Wall: 1612.19, 0.00397593/step, 0.105362 hours remaining, 109.652344 MB of memory in use. ENERGY: 404600 696.3015 1840.3020 1980.6473 114.6595 -13.3240 -1046.6878 167.1387 0.0000 2769.6611 6508.6983 305.9168 3739.0372 6538.1396 301.5458 PRESSURE: 404700 0 0 0 0 0 0 0 0 0 GPRESSURE: 404700 0 0 0 0 0 0 0 0 0 PRESSAVG: 404700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404700 0 0 0 0 0 0 0 0 0 TIMING: 404700 CPU: 1612.59, 0.00397096/step Wall: 1612.59, 0.00397096/step, 0.10512 hours remaining, 109.652344 MB of memory in use. ENERGY: 404700 641.0506 1859.4064 2027.9483 110.9821 -13.8757 -1038.7906 169.7557 0.0000 2761.5168 6517.9937 305.0172 3756.4769 6553.6900 301.8040 PRESSURE: 404800 0 0 0 0 0 0 0 0 0 GPRESSURE: 404800 0 0 0 0 0 0 0 0 0 PRESSAVG: 404800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404800 0 0 0 0 0 0 0 0 0 TIMING: 404800 CPU: 1612.98, 0.00396743/step Wall: 1612.98, 0.00396743/step, 0.104916 hours remaining, 109.652344 MB of memory in use. ENERGY: 404800 653.5627 1881.4948 1991.0645 100.4533 -13.9764 -977.9120 158.0568 0.0000 2743.6091 6536.3529 303.0393 3792.7439 6570.7526 301.8159 PRESSURE: 404900 0 0 0 0 0 0 0 0 0 GPRESSURE: 404900 0 0 0 0 0 0 0 0 0 PRESSAVG: 404900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 404900 0 0 0 0 0 0 0 0 0 TIMING: 404900 CPU: 1613.38, 0.00398306/step Wall: 1613.38, 0.00398306/step, 0.105219 hours remaining, 109.652344 MB of memory in use. ENERGY: 404900 631.5237 1914.0901 2046.0048 110.7515 -13.8633 -1056.3614 167.4619 0.0000 2719.6520 6519.2594 300.3931 3799.6073 6552.6134 302.9914 PRESSURE: 405000 0 0 0 0 0 0 0 0 0 GPRESSURE: 405000 0 0 0 0 0 0 0 0 0 PRESSAVG: 405000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405000 0 0 0 0 0 0 0 0 0 TIMING: 405000 CPU: 1613.78, 0.00396966/step Wall: 1613.78, 0.00396966/step, 0.104755 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 405000 664.1511 1857.8797 2008.8228 106.9671 -14.7216 -1048.6893 167.8261 0.0000 2731.6488 6473.8847 301.7182 3742.2359 6505.5104 300.4502 PRESSURE: 405100 0 0 0 0 0 0 0 0 0 GPRESSURE: 405100 0 0 0 0 0 0 0 0 0 PRESSAVG: 405100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405100 0 0 0 0 0 0 0 0 0 TIMING: 405100 CPU: 1614.18, 0.00398122/step Wall: 1614.18, 0.00398122/step, 0.104949 hours remaining, 109.652344 MB of memory in use. ENERGY: 405100 663.9536 1893.6143 2027.0643 113.8357 -13.5617 -1050.2745 168.7922 0.0000 2648.3146 6451.7385 292.5137 3803.4239 6482.5010 298.6908 PRESSURE: 405200 0 0 0 0 0 0 0 0 0 GPRESSURE: 405200 0 0 0 0 0 0 0 0 0 PRESSAVG: 405200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405200 0 0 0 0 0 0 0 0 0 TIMING: 405200 CPU: 1614.57, 0.00397001/step Wall: 1614.57, 0.00397/step, 0.104543 hours remaining, 109.652344 MB of memory in use. ENERGY: 405200 692.5697 1886.5305 2019.8721 103.4791 -14.1643 -1053.6360 157.2461 0.0000 2645.2103 6437.1075 292.1709 3791.8972 6469.6726 298.6203 PRESSURE: 405300 0 0 0 0 0 0 0 0 0 GPRESSURE: 405300 0 0 0 0 0 0 0 0 0 PRESSAVG: 405300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405300 0 0 0 0 0 0 0 0 0 TIMING: 405300 CPU: 1614.97, 0.00397072/step Wall: 1614.97, 0.00397072/step, 0.104452 hours remaining, 109.652344 MB of memory in use. ENERGY: 405300 677.2799 1869.4287 1997.8055 100.5178 -13.9675 -1080.1432 167.3224 0.0000 2727.2722 6445.5158 301.2348 3718.2436 6479.1340 298.6318 PRESSURE: 405400 0 0 0 0 0 0 0 0 0 GPRESSURE: 405400 0 0 0 0 0 0 0 0 0 PRESSAVG: 405400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405400 0 0 0 0 0 0 0 0 0 TIMING: 405400 CPU: 1615.37, 0.00398269/step Wall: 1615.37, 0.0039827/step, 0.104657 hours remaining, 109.652344 MB of memory in use. ENERGY: 405400 642.4657 1878.7718 2019.4213 108.7836 -14.7743 -1048.9024 155.3385 0.0000 2673.7245 6414.8289 295.3203 3741.1044 6445.6191 298.7222 PRESSURE: 405500 0 0 0 0 0 0 0 0 0 GPRESSURE: 405500 0 0 0 0 0 0 0 0 0 PRESSAVG: 405500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405500 0 0 0 0 0 0 0 0 0 TIMING: 405500 CPU: 1615.77, 0.00397056/step Wall: 1615.77, 0.00397056/step, 0.104227 hours remaining, 109.652344 MB of memory in use. ENERGY: 405500 663.0312 1873.2884 2018.4118 106.7582 -13.7980 -1083.0216 156.1256 0.0000 2748.1973 6468.9929 303.5460 3720.7956 6502.8310 298.4426 PRESSURE: 405600 0 0 0 0 0 0 0 0 0 GPRESSURE: 405600 0 0 0 0 0 0 0 0 0 PRESSAVG: 405600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405600 0 0 0 0 0 0 0 0 0 TIMING: 405600 CPU: 1616.16, 0.00398081/step Wall: 1616.16, 0.00398081/step, 0.104386 hours remaining, 109.652344 MB of memory in use. ENERGY: 405600 660.6092 1851.0218 2007.8232 103.5351 -13.7392 -1059.7724 164.4560 0.0000 2727.1628 6441.0966 301.2227 3713.9338 6476.0430 299.5356 PRESSURE: 405700 0 0 0 0 0 0 0 0 0 GPRESSURE: 405700 0 0 0 0 0 0 0 0 0 PRESSAVG: 405700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405700 0 0 0 0 0 0 0 0 0 TIMING: 405700 CPU: 1616.56, 0.00397128/step Wall: 1616.56, 0.00397128/step, 0.104025 hours remaining, 109.652344 MB of memory in use. ENERGY: 405700 661.4278 1882.6558 1990.5000 106.7911 -14.7595 -1042.2774 158.1788 0.0000 2690.5565 6433.0732 297.1795 3742.5167 6465.2610 298.5123 PRESSURE: 405800 0 0 0 0 0 0 0 0 0 GPRESSURE: 405800 0 0 0 0 0 0 0 0 0 PRESSAVG: 405800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405800 0 0 0 0 0 0 0 0 0 TIMING: 405800 CPU: 1616.96, 0.00397203/step Wall: 1616.96, 0.00397203/step, 0.103935 hours remaining, 109.652344 MB of memory in use. ENERGY: 405800 684.7014 1898.0175 1991.1647 92.7840 -14.0651 -1047.7072 148.1339 0.0000 2683.3700 6436.3993 296.3857 3753.0293 6469.8850 298.1636 PRESSURE: 405900 0 0 0 0 0 0 0 0 0 GPRESSURE: 405900 0 0 0 0 0 0 0 0 0 PRESSAVG: 405900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 405900 0 0 0 0 0 0 0 0 0 TIMING: 405900 CPU: 1617.36, 0.00398363/step Wall: 1617.36, 0.00398363/step, 0.104128 hours remaining, 109.652344 MB of memory in use. ENERGY: 405900 675.0374 1867.7827 2004.9076 97.9353 -14.9554 -1033.9704 158.5898 0.0000 2672.2738 6427.6007 295.1601 3755.3269 6460.5612 297.2734 PRESSURE: 406000 0 0 0 0 0 0 0 0 0 GPRESSURE: 406000 0 0 0 0 0 0 0 0 0 PRESSAVG: 406000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406000 0 0 0 0 0 0 0 0 0 TIMING: 406000 CPU: 1617.75, 0.00396985/step Wall: 1617.75, 0.00396984/step, 0.103657 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 406000 684.0884 1915.1622 2014.7789 101.9479 -14.2229 -1069.1153 166.8785 0.0000 2671.9829 6471.5006 295.1280 3799.5177 6503.0099 297.3360 PRESSURE: 406100 0 0 0 0 0 0 0 0 0 GPRESSURE: 406100 0 0 0 0 0 0 0 0 0 PRESSAVG: 406100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406100 0 0 0 0 0 0 0 0 0 TIMING: 406100 CPU: 1618.15, 0.00398213/step Wall: 1618.15, 0.00398214/step, 0.103867 hours remaining, 109.652344 MB of memory in use. ENERGY: 406100 657.2489 1883.4469 1987.6817 101.5581 -13.9377 -1018.6139 162.5712 0.0000 2705.5432 6465.4985 298.8348 3759.9552 6497.7320 300.2671 PRESSURE: 406200 0 0 0 0 0 0 0 0 0 GPRESSURE: 406200 0 0 0 0 0 0 0 0 0 PRESSAVG: 406200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406200 0 0 0 0 0 0 0 0 0 TIMING: 406200 CPU: 1618.55, 0.00397203/step Wall: 1618.55, 0.00397203/step, 0.103493 hours remaining, 109.652344 MB of memory in use. ENERGY: 406200 650.1270 1867.5713 1993.2135 105.6449 -13.4378 -1048.8460 168.9268 0.0000 2761.0149 6484.2146 304.9618 3723.1998 6517.1076 299.5587 PRESSURE: 406300 0 0 0 0 0 0 0 0 0 GPRESSURE: 406300 0 0 0 0 0 0 0 0 0 PRESSAVG: 406300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406300 0 0 0 0 0 0 0 0 0 TIMING: 406300 CPU: 1618.95, 0.00397051/step Wall: 1618.95, 0.00397051/step, 0.103344 hours remaining, 109.652344 MB of memory in use. ENERGY: 406300 629.5389 1916.5615 2021.6508 94.3269 -12.7927 -1060.1323 170.0184 0.0000 2691.7627 6450.9343 297.3127 3759.1716 6484.3411 298.8463 PRESSURE: 406400 0 0 0 0 0 0 0 0 0 GPRESSURE: 406400 0 0 0 0 0 0 0 0 0 PRESSAVG: 406400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406400 0 0 0 0 0 0 0 0 0 TIMING: 406400 CPU: 1619.34, 0.00398354/step Wall: 1619.34, 0.00398354/step, 0.103572 hours remaining, 109.652344 MB of memory in use. ENERGY: 406400 661.6030 1885.0964 1990.3458 99.8617 -14.1125 -1050.4292 162.9621 0.0000 2703.9470 6439.2744 298.6585 3735.3274 6471.3487 297.6363 PRESSURE: 406500 0 0 0 0 0 0 0 0 0 GPRESSURE: 406500 0 0 0 0 0 0 0 0 0 PRESSAVG: 406500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406500 0 0 0 0 0 0 0 0 0 TIMING: 406500 CPU: 1619.74, 0.00397072/step Wall: 1619.74, 0.00397072/step, 0.103128 hours remaining, 109.652344 MB of memory in use. ENERGY: 406500 674.1251 1856.1731 2014.5112 103.7567 -13.5550 -1049.8109 159.6698 0.0000 2695.6872 6440.5572 297.7462 3744.8700 6472.7119 299.4832 PRESSURE: 406600 0 0 0 0 0 0 0 0 0 GPRESSURE: 406600 0 0 0 0 0 0 0 0 0 PRESSAVG: 406600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406600 0 0 0 0 0 0 0 0 0 TIMING: 406600 CPU: 1620.14, 0.00398185/step Wall: 1620.14, 0.00398185/step, 0.103307 hours remaining, 109.652344 MB of memory in use. ENERGY: 406600 651.4621 1854.0285 2017.5038 113.0200 -14.4388 -1046.0377 168.3497 0.0000 2705.6402 6449.5278 298.8455 3743.8876 6483.4453 298.7389 PRESSURE: 406700 0 0 0 0 0 0 0 0 0 GPRESSURE: 406700 0 0 0 0 0 0 0 0 0 PRESSAVG: 406700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406700 0 0 0 0 0 0 0 0 0 TIMING: 406700 CPU: 1620.54, 0.00397048/step Wall: 1620.54, 0.00397048/step, 0.102902 hours remaining, 109.652344 MB of memory in use. ENERGY: 406700 657.7487 1866.7117 2007.0840 106.7052 -13.2474 -1042.0766 160.6847 0.0000 2712.5307 6456.1410 299.6066 3743.6103 6490.1744 299.3429 PRESSURE: 406800 0 0 0 0 0 0 0 0 0 GPRESSURE: 406800 0 0 0 0 0 0 0 0 0 PRESSAVG: 406800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406800 0 0 0 0 0 0 0 0 0 TIMING: 406800 CPU: 1620.93, 0.00397093/step Wall: 1620.93, 0.00397093/step, 0.102803 hours remaining, 109.652344 MB of memory in use. ENERGY: 406800 679.0753 1864.3067 2026.2166 105.0357 -12.3983 -1075.0957 176.1147 0.0000 2691.2812 6454.5362 297.2595 3763.2550 6487.4113 299.8737 PRESSURE: 406900 0 0 0 0 0 0 0 0 0 GPRESSURE: 406900 0 0 0 0 0 0 0 0 0 PRESSAVG: 406900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 406900 0 0 0 0 0 0 0 0 0 TIMING: 406900 CPU: 1621.33, 0.0039858/step Wall: 1621.33, 0.0039858/step, 0.103077 hours remaining, 109.652344 MB of memory in use. ENERGY: 406900 627.8708 1919.0826 2046.2999 113.3911 -13.9126 -1050.3481 153.9845 0.0000 2711.0612 6507.4295 299.4443 3796.3682 6540.3450 299.8221 PRESSURE: 407000 0 0 0 0 0 0 0 0 0 GPRESSURE: 407000 0 0 0 0 0 0 0 0 0 PRESSAVG: 407000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407000 0 0 0 0 0 0 0 0 0 TIMING: 407000 CPU: 1621.73, 0.00397258/step Wall: 1621.73, 0.00397258/step, 0.102625 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 407000 636.0540 1884.3852 2035.6941 100.2025 -13.9253 -1033.4000 163.2165 0.0000 2691.2464 6463.4733 297.2557 3772.2270 6496.4165 302.1637 PRESSURE: 407100 0 0 0 0 0 0 0 0 0 GPRESSURE: 407100 0 0 0 0 0 0 0 0 0 PRESSAVG: 407100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407100 0 0 0 0 0 0 0 0 0 TIMING: 407100 CPU: 1622.13, 0.00397025/step Wall: 1622.13, 0.00397024/step, 0.102454 hours remaining, 109.652344 MB of memory in use. ENERGY: 407100 659.2194 1847.7230 2027.3267 102.9462 -12.7569 -1029.9368 163.5477 0.0000 2689.4634 6447.5327 297.0587 3758.0692 6480.2055 298.8670 PRESSURE: 407200 0 0 0 0 0 0 0 0 0 GPRESSURE: 407200 0 0 0 0 0 0 0 0 0 PRESSAVG: 407200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407200 0 0 0 0 0 0 0 0 0 TIMING: 407200 CPU: 1622.52, 0.00398039/step Wall: 1622.52, 0.0039804/step, 0.102606 hours remaining, 109.652344 MB of memory in use. ENERGY: 407200 635.1802 1889.6078 2008.5699 98.3318 -12.8667 -1026.3029 172.3311 0.0000 2714.3697 6479.2209 299.8097 3764.8512 6512.6325 300.1235 PRESSURE: 407300 0 0 0 0 0 0 0 0 0 GPRESSURE: 407300 0 0 0 0 0 0 0 0 0 PRESSAVG: 407300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407300 0 0 0 0 0 0 0 0 0 TIMING: 407300 CPU: 1622.92, 0.00396779/step Wall: 1622.92, 0.00396779/step, 0.102171 hours remaining, 109.652344 MB of memory in use. ENERGY: 407300 639.6447 1911.7376 2031.3323 98.7146 -14.0956 -1009.0875 168.0795 0.0000 2671.3536 6497.6791 295.0584 3826.3255 6529.5277 300.2069 PRESSURE: 407400 0 0 0 0 0 0 0 0 0 GPRESSURE: 407400 0 0 0 0 0 0 0 0 0 PRESSAVG: 407400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407400 0 0 0 0 0 0 0 0 0 TIMING: 407400 CPU: 1623.32, 0.00398258/step Wall: 1623.32, 0.00398258/step, 0.102441 hours remaining, 109.652344 MB of memory in use. ENERGY: 407400 699.0645 1910.2012 2028.7239 103.6281 -12.4473 -1046.6757 168.9730 0.0000 2671.1563 6522.6241 295.0367 3851.4678 6554.7809 302.6880 PRESSURE: 407500 0 0 0 0 0 0 0 0 0 GPRESSURE: 407500 0 0 0 0 0 0 0 0 0 PRESSAVG: 407500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407500 0 0 0 0 0 0 0 0 0 TIMING: 407500 CPU: 1623.72, 0.00396894/step Wall: 1623.72, 0.00396894/step, 0.10198 hours remaining, 109.652344 MB of memory in use. ENERGY: 407500 672.2051 1853.4515 2016.6911 95.7373 -13.7521 -1050.6037 142.3310 0.0000 2719.6050 6435.6653 300.3879 3716.0603 6466.4106 299.6023 PRESSURE: 407600 0 0 0 0 0 0 0 0 0 GPRESSURE: 407600 0 0 0 0 0 0 0 0 0 PRESSAVG: 407600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407600 0 0 0 0 0 0 0 0 0 TIMING: 407600 CPU: 1624.11, 0.00397173/step Wall: 1624.11, 0.00397173/step, 0.101941 hours remaining, 109.652344 MB of memory in use. ENERGY: 407600 643.6052 1821.5104 2020.4253 113.9600 -13.5954 -1024.8445 172.8517 0.0000 2706.0204 6439.9331 298.8875 3733.9127 6472.5468 298.9992 PRESSURE: 407700 0 0 0 0 0 0 0 0 0 GPRESSURE: 407700 0 0 0 0 0 0 0 0 0 PRESSAVG: 407700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407700 0 0 0 0 0 0 0 0 0 TIMING: 407700 CPU: 1624.51, 0.00398194/step Wall: 1624.51, 0.00398194/step, 0.102093 hours remaining, 109.652344 MB of memory in use. ENERGY: 407700 614.5977 1889.7251 2012.9019 107.7510 -13.8358 -1002.7797 159.4621 0.0000 2713.8241 6481.6464 299.7494 3767.8223 6514.6217 299.2931 PRESSURE: 407800 0 0 0 0 0 0 0 0 0 GPRESSURE: 407800 0 0 0 0 0 0 0 0 0 PRESSAVG: 407800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407800 0 0 0 0 0 0 0 0 0 TIMING: 407800 CPU: 1624.91, 0.00396953/step Wall: 1624.91, 0.00396953/step, 0.101664 hours remaining, 109.652344 MB of memory in use. ENERGY: 407800 661.0161 1875.9582 2011.6142 111.9797 -13.0810 -1028.3084 176.1433 0.0000 2706.3047 6501.6267 298.9189 3795.3221 6534.9301 300.8208 PRESSURE: 407900 0 0 0 0 0 0 0 0 0 GPRESSURE: 407900 0 0 0 0 0 0 0 0 0 PRESSAVG: 407900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 407900 0 0 0 0 0 0 0 0 0 TIMING: 407900 CPU: 1625.31, 0.00398316/step Wall: 1625.31, 0.00398316/step, 0.101903 hours remaining, 109.652344 MB of memory in use. ENERGY: 407900 659.3989 1881.8986 2012.3211 107.6825 -13.8435 -1051.5816 172.7552 0.0000 2749.8796 6518.5109 303.7319 3768.6313 6553.1235 302.4300 PRESSURE: 408000 0 0 0 0 0 0 0 0 0 GPRESSURE: 408000 0 0 0 0 0 0 0 0 0 PRESSAVG: 408000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408000 0 0 0 0 0 0 0 0 0 TIMING: 408000 CPU: 1625.7, 0.00397158/step Wall: 1625.7, 0.00397158/step, 0.101496 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 408000 633.5632 1877.9827 2036.0798 99.0257 -13.3074 -1051.9293 170.3940 0.0000 2757.8558 6509.6645 304.6129 3751.8087 6543.5038 303.1508 PRESSURE: 408100 0 0 0 0 0 0 0 0 0 GPRESSURE: 408100 0 0 0 0 0 0 0 0 0 PRESSAVG: 408100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408100 0 0 0 0 0 0 0 0 0 TIMING: 408100 CPU: 1626.1, 0.00397024/step Wall: 1626.1, 0.00397024/step, 0.101351 hours remaining, 109.652344 MB of memory in use. ENERGY: 408100 662.5350 1866.5372 2038.7502 112.5709 -13.2239 -1055.3854 157.1047 0.0000 2664.3733 6433.2619 294.2875 3768.8886 6465.9797 298.0419 PRESSURE: 408200 0 0 0 0 0 0 0 0 0 GPRESSURE: 408200 0 0 0 0 0 0 0 0 0 PRESSAVG: 408200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408200 0 0 0 0 0 0 0 0 0 TIMING: 408200 CPU: 1626.5, 0.00398187/step Wall: 1626.5, 0.00398187/step, 0.101538 hours remaining, 109.652344 MB of memory in use. ENERGY: 408200 650.1012 1835.3044 2035.0625 106.6885 -13.4175 -1038.8743 169.9624 0.0000 2702.3924 6447.2196 298.4868 3744.8272 6481.6425 298.4460 LDB: ============= START OF LOAD BALANCING ============== 1629.27 LDB: ============== END OF LOAD BALANCING =============== 1629.27 LDB: =============== DONE WITH MIGRATION ================ 1629.27 PRESSURE: 408300 0 0 0 0 0 0 0 0 0 GPRESSURE: 408300 0 0 0 0 0 0 0 0 0 PRESSAVG: 408300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408300 0 0 0 0 0 0 0 0 0 TIMING: 408300 CPU: 1626.9, 0.00397011/step Wall: 1626.9, 0.00397011/step, 0.101128 hours remaining, 109.652344 MB of memory in use. ENERGY: 408300 646.2969 1840.9151 2035.5683 100.1593 -13.6070 -1039.4955 154.7692 0.0000 2731.0556 6455.6619 301.6527 3724.6063 6488.9829 297.8767 LDB: ============= START OF LOAD BALANCING ============== 1629.67 LDB: ============== END OF LOAD BALANCING =============== 1629.67 LDB: =============== DONE WITH MIGRATION ================ 1629.67 PRESSURE: 408400 0 0 0 0 0 0 0 0 0 GPRESSURE: 408400 0 0 0 0 0 0 0 0 0 PRESSAVG: 408400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408400 0 0 0 0 0 0 0 0 0 TIMING: 408400 CPU: 1627.3, 0.00398976/step Wall: 1627.3, 0.00398976/step, 0.101517 hours remaining, 109.652344 MB of memory in use. ENERGY: 408400 639.6361 1910.3772 1991.4803 100.6814 -14.8013 -1019.0669 160.8209 0.0000 2734.1786 6503.3062 301.9976 3769.1276 6534.2090 300.6625 PRESSURE: 408500 0 0 0 0 0 0 0 0 0 GPRESSURE: 408500 0 0 0 0 0 0 0 0 0 PRESSAVG: 408500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408500 0 0 0 0 0 0 0 0 0 TIMING: 408500 CPU: 1627.69, 0.0039691/step Wall: 1627.69, 0.0039691/step, 0.100881 hours remaining, 109.652344 MB of memory in use. ENERGY: 408500 641.6018 1886.2425 2032.1493 115.5578 -13.8248 -1074.0976 183.1478 0.0000 2711.2597 6482.0365 299.4662 3770.7768 6515.8825 299.8792 PRESSURE: 408600 0 0 0 0 0 0 0 0 0 GPRESSURE: 408600 0 0 0 0 0 0 0 0 0 PRESSAVG: 408600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408600 0 0 0 0 0 0 0 0 0 TIMING: 408600 CPU: 1628.09, 0.00397043/step Wall: 1628.09, 0.00397043/step, 0.100805 hours remaining, 109.652344 MB of memory in use. ENERGY: 408600 644.9030 1873.3040 2017.8019 105.2638 -14.1906 -1050.4525 166.4710 0.0000 2697.3414 6440.4420 297.9289 3743.1006 6472.4516 299.1466 PRESSURE: 408700 0 0 0 0 0 0 0 0 0 GPRESSURE: 408700 0 0 0 0 0 0 0 0 0 PRESSAVG: 408700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408700 0 0 0 0 0 0 0 0 0 TIMING: 408700 CPU: 1628.49, 0.00398201/step Wall: 1628.49, 0.00398201/step, 0.100988 hours remaining, 109.652344 MB of memory in use. ENERGY: 408700 636.4833 1901.3400 1996.2404 96.5654 -13.8082 -1033.1845 171.9324 0.0000 2671.9235 6427.4922 295.1214 3755.5687 6461.6107 296.2835 PRESSURE: 408800 0 0 0 0 0 0 0 0 0 GPRESSURE: 408800 0 0 0 0 0 0 0 0 0 PRESSAVG: 408800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408800 0 0 0 0 0 0 0 0 0 TIMING: 408800 CPU: 1628.88, 0.00396866/step Wall: 1628.88, 0.00396866/step, 0.100539 hours remaining, 109.652344 MB of memory in use. ENERGY: 408800 667.2207 1916.5601 2019.2938 111.2196 -14.5885 -1078.8550 165.3210 0.0000 2655.7597 6441.9314 293.3361 3786.1716 6474.1301 297.2215 PRESSURE: 408900 0 0 0 0 0 0 0 0 0 GPRESSURE: 408900 0 0 0 0 0 0 0 0 0 PRESSAVG: 408900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 408900 0 0 0 0 0 0 0 0 0 TIMING: 408900 CPU: 1629.28, 0.00397984/step Wall: 1629.28, 0.00397984/step, 0.100712 hours remaining, 109.652344 MB of memory in use. ENERGY: 408900 650.4301 1884.8702 2038.6081 104.9950 -14.6784 -1061.5425 175.1045 0.0000 2684.6746 6462.4616 296.5298 3777.7870 6494.5784 298.8313 PRESSURE: 409000 0 0 0 0 0 0 0 0 0 GPRESSURE: 409000 0 0 0 0 0 0 0 0 0 PRESSAVG: 409000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409000 0 0 0 0 0 0 0 0 0 TIMING: 409000 CPU: 1629.68, 0.00397005/step Wall: 1629.68, 0.00397005/step, 0.100354 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 409000 616.1828 1868.5503 2026.2058 105.3763 -13.6320 -1022.0396 160.4030 0.0000 2730.1151 6471.1616 301.5488 3741.0466 6505.2728 298.7728 PRESSURE: 409100 0 0 0 0 0 0 0 0 0 GPRESSURE: 409100 0 0 0 0 0 0 0 0 0 PRESSAVG: 409100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409100 0 0 0 0 0 0 0 0 0 TIMING: 409100 CPU: 1630.08, 0.00397121/step Wall: 1630.08, 0.00397121/step, 0.100273 hours remaining, 109.652344 MB of memory in use. ENERGY: 409100 671.2943 1867.3591 2006.3422 98.5174 -13.3647 -1025.5635 174.8426 0.0000 2703.9637 6483.3911 298.6603 3779.4274 6516.0910 299.9209 PRESSURE: 409200 0 0 0 0 0 0 0 0 0 GPRESSURE: 409200 0 0 0 0 0 0 0 0 0 PRESSAVG: 409200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409200 0 0 0 0 0 0 0 0 0 TIMING: 409200 CPU: 1630.48, 0.00398336/step Wall: 1630.48, 0.00398336/step, 0.100469 hours remaining, 109.652344 MB of memory in use. ENERGY: 409200 656.0192 1816.8137 2001.7480 107.9069 -13.2253 -1061.1147 161.6071 0.0000 2806.1495 6475.9043 309.9470 3669.7548 6513.1782 300.3080 PRESSURE: 409300 0 0 0 0 0 0 0 0 0 GPRESSURE: 409300 0 0 0 0 0 0 0 0 0 PRESSAVG: 409300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409300 0 0 0 0 0 0 0 0 0 TIMING: 409300 CPU: 1630.87, 0.00397014/step Wall: 1630.87, 0.00397014/step, 0.100026 hours remaining, 109.652344 MB of memory in use. ENERGY: 409300 625.3236 1887.9475 2011.5180 100.7518 -12.5444 -1046.6039 172.8302 0.0000 2725.8679 6465.0906 301.0797 3739.2227 6498.3314 298.9917 PRESSURE: 409400 0 0 0 0 0 0 0 0 0 GPRESSURE: 409400 0 0 0 0 0 0 0 0 0 PRESSAVG: 409400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409400 0 0 0 0 0 0 0 0 0 TIMING: 409400 CPU: 1631.27, 0.0039994/step Wall: 1631.27, 0.0039994/step, 0.100652 hours remaining, 109.652344 MB of memory in use. ENERGY: 409400 648.0156 1836.7392 2003.5962 100.3185 -12.4592 -1030.9563 159.6513 0.0000 2706.6329 6411.5383 298.9551 3704.9053 6444.8522 298.6653 PRESSURE: 409500 0 0 0 0 0 0 0 0 0 GPRESSURE: 409500 0 0 0 0 0 0 0 0 0 PRESSAVG: 409500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409500 0 0 0 0 0 0 0 0 0 TIMING: 409500 CPU: 1631.67, 0.00399667/step Wall: 1631.67, 0.00399667/step, 0.100472 hours remaining, 109.652344 MB of memory in use. ENERGY: 409500 668.5474 1874.2461 1995.5597 104.3704 -12.5766 -1044.4520 164.6544 0.0000 2691.1005 6441.4500 297.2396 3750.3495 6471.4810 298.6578 PRESSURE: 409600 0 0 0 0 0 0 0 0 0 GPRESSURE: 409600 0 0 0 0 0 0 0 0 0 PRESSAVG: 409600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409600 0 0 0 0 0 0 0 0 0 TIMING: 409600 CPU: 1632.07, 0.00397344/step Wall: 1632.07, 0.00397344/step, 0.0997775 hours remaining, 109.652344 MB of memory in use. ENERGY: 409600 639.1158 1842.1130 2004.0717 104.1086 -13.0859 -1039.1803 162.3428 0.0000 2757.6226 6457.1083 304.5871 3699.4856 6491.4481 298.1622 PRESSURE: 409700 0 0 0 0 0 0 0 0 0 GPRESSURE: 409700 0 0 0 0 0 0 0 0 0 PRESSAVG: 409700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409700 0 0 0 0 0 0 0 0 0 TIMING: 409700 CPU: 1632.47, 0.00398601/step Wall: 1632.47, 0.00398601/step, 0.0999824 hours remaining, 109.652344 MB of memory in use. ENERGY: 409700 614.1753 1862.6988 2005.8315 109.3111 -13.2279 -1064.3403 156.9350 0.0000 2743.8106 6415.1941 303.0615 3671.3836 6449.9321 298.6918 PRESSURE: 409800 0 0 0 0 0 0 0 0 0 GPRESSURE: 409800 0 0 0 0 0 0 0 0 0 PRESSAVG: 409800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409800 0 0 0 0 0 0 0 0 0 TIMING: 409800 CPU: 1632.87, 0.00397319/step Wall: 1632.87, 0.00397319/step, 0.0995504 hours remaining, 109.652344 MB of memory in use. ENERGY: 409800 626.0127 1912.8669 2010.0403 114.5870 -14.0588 -1034.8504 159.7974 0.0000 2668.3610 6442.7560 294.7279 3774.3951 6474.2096 296.5886 PRESSURE: 409900 0 0 0 0 0 0 0 0 0 GPRESSURE: 409900 0 0 0 0 0 0 0 0 0 PRESSAVG: 409900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 409900 0 0 0 0 0 0 0 0 0 TIMING: 409900 CPU: 1633.26, 0.00398669/step Wall: 1633.26, 0.00398669/step, 0.099778 hours remaining, 109.652344 MB of memory in use. ENERGY: 409900 634.8292 1841.6268 1986.4683 98.2192 -12.7460 -1050.6055 172.2090 0.0000 2807.7876 6477.7887 310.1280 3670.0011 6515.9594 299.4946 PRESSURE: 410000 0 0 0 0 0 0 0 0 0 GPRESSURE: 410000 0 0 0 0 0 0 0 0 0 PRESSAVG: 410000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410000 0 0 0 0 0 0 0 0 0 TIMING: 410000 CPU: 1633.66, 0.00397199/step Wall: 1633.66, 0.00397199/step, 0.0992998 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 410000 667.0104 1863.8597 2005.2082 94.9975 -13.5492 -1029.5001 172.6948 0.0000 2700.0584 6460.7797 298.2290 3760.7213 6493.5195 297.6459 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 410000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 410000 WRITING COORDINATES TO RESTART FILE AT STEP 410000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 410000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 410100 0 0 0 0 0 0 0 0 0 GPRESSURE: 410100 0 0 0 0 0 0 0 0 0 PRESSAVG: 410100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410100 0 0 0 0 0 0 0 0 0 TIMING: 410100 CPU: 1634.11, 0.00448771/step Wall: 1634.11, 0.00448771/step, 0.112068 hours remaining, 109.652344 MB of memory in use. ENERGY: 410100 641.1610 1880.7080 2023.1917 97.1565 -13.4430 -1038.8340 164.7110 0.0000 2750.2993 6504.9507 303.7782 3754.6514 6537.8923 300.6992 PRESSURE: 410200 0 0 0 0 0 0 0 0 0 GPRESSURE: 410200 0 0 0 0 0 0 0 0 0 PRESSAVG: 410200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410200 0 0 0 0 0 0 0 0 0 TIMING: 410200 CPU: 1634.51, 0.00398382/step Wall: 1634.51, 0.00398381/step, 0.0993739 hours remaining, 109.652344 MB of memory in use. ENERGY: 410200 665.4781 1881.9724 2001.2510 112.9307 -13.8508 -1052.9797 165.4892 0.0000 2731.9526 6492.2435 301.7518 3760.2909 6524.6497 301.3134 PRESSURE: 410300 0 0 0 0 0 0 0 0 0 GPRESSURE: 410300 0 0 0 0 0 0 0 0 0 PRESSAVG: 410300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410300 0 0 0 0 0 0 0 0 0 TIMING: 410300 CPU: 1634.91, 0.00397119/step Wall: 1634.91, 0.0039712/step, 0.0989491 hours remaining, 109.652344 MB of memory in use. ENERGY: 410300 648.6720 1894.9043 2035.7466 110.8446 -13.1824 -1048.7990 161.3205 0.0000 2719.4013 6508.9081 300.3654 3789.5068 6542.8111 300.1750 PRESSURE: 410400 0 0 0 0 0 0 0 0 0 GPRESSURE: 410400 0 0 0 0 0 0 0 0 0 PRESSAVG: 410400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410400 0 0 0 0 0 0 0 0 0 TIMING: 410400 CPU: 1635.3, 0.00398394/step Wall: 1635.3, 0.00398394/step, 0.0991558 hours remaining, 109.652344 MB of memory in use. ENERGY: 410400 630.8603 1894.7303 2046.3816 114.7906 -12.8911 -1065.2598 160.2952 0.0000 2726.3548 6495.2620 301.1335 3768.9072 6527.4605 301.2623 PRESSURE: 410500 0 0 0 0 0 0 0 0 0 GPRESSURE: 410500 0 0 0 0 0 0 0 0 0 PRESSAVG: 410500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410500 0 0 0 0 0 0 0 0 0 TIMING: 410500 CPU: 1635.7, 0.00397142/step Wall: 1635.7, 0.00397142/step, 0.098734 hours remaining, 109.652344 MB of memory in use. ENERGY: 410500 657.0092 1871.2027 2035.9502 113.2851 -13.3454 -1057.6571 156.2805 0.0000 2702.7187 6465.4438 298.5228 3762.7251 6497.7775 299.2579 PRESSURE: 410600 0 0 0 0 0 0 0 0 0 GPRESSURE: 410600 0 0 0 0 0 0 0 0 0 PRESSAVG: 410600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410600 0 0 0 0 0 0 0 0 0 TIMING: 410600 CPU: 1636.1, 0.00397093/step Wall: 1636.1, 0.00397093/step, 0.0986114 hours remaining, 109.652344 MB of memory in use. ENERGY: 410600 658.4810 1875.5551 1998.4606 104.3991 -13.7672 -1072.2609 162.0621 0.0000 2755.7442 6468.6739 304.3796 3712.9297 6502.8974 299.3241 PRESSURE: 410700 0 0 0 0 0 0 0 0 0 GPRESSURE: 410700 0 0 0 0 0 0 0 0 0 PRESSAVG: 410700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410700 0 0 0 0 0 0 0 0 0 TIMING: 410700 CPU: 1636.5, 0.00398368/step Wall: 1636.5, 0.00398368/step, 0.0988174 hours remaining, 109.652344 MB of memory in use. ENERGY: 410700 671.2344 1863.4087 2029.1935 115.9963 -13.7323 -1051.3082 162.1313 0.0000 2688.7540 6465.6778 296.9804 3776.9238 6498.5443 299.5142 PRESSURE: 410800 0 0 0 0 0 0 0 0 0 GPRESSURE: 410800 0 0 0 0 0 0 0 0 0 PRESSAVG: 410800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410800 0 0 0 0 0 0 0 0 0 TIMING: 410800 CPU: 1636.89, 0.00397012/step Wall: 1636.89, 0.00397011/step, 0.0983705 hours remaining, 109.652344 MB of memory in use. ENERGY: 410800 663.9568 1858.3185 2034.9333 101.2417 -14.0133 -1064.5845 155.8325 0.0000 2747.6444 6483.3294 303.4850 3735.6849 6516.9866 298.7810 PRESSURE: 410900 0 0 0 0 0 0 0 0 0 GPRESSURE: 410900 0 0 0 0 0 0 0 0 0 PRESSAVG: 410900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 410900 0 0 0 0 0 0 0 0 0 TIMING: 410900 CPU: 1637.29, 0.0039844/step Wall: 1637.29, 0.00398441/step, 0.0986141 hours remaining, 109.652344 MB of memory in use. ENERGY: 410900 677.2659 1856.9763 2006.9828 110.3434 -13.4477 -1050.6747 171.3343 0.0000 2739.3606 6498.1408 302.5700 3758.7802 6529.6160 300.7964 PRESSURE: 411000 0 0 0 0 0 0 0 0 0 GPRESSURE: 411000 0 0 0 0 0 0 0 0 0 PRESSAVG: 411000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411000 0 0 0 0 0 0 0 0 0 TIMING: 411000 CPU: 1637.69, 0.00396948/step Wall: 1637.69, 0.00396948/step, 0.0981344 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 411000 654.2439 1916.4763 2005.5710 103.7317 -13.6145 -1053.6921 156.6967 0.0000 2752.4263 6521.8394 304.0132 3769.4130 6556.2406 300.9050 PRESSURE: 411100 0 0 0 0 0 0 0 0 0 GPRESSURE: 411100 0 0 0 0 0 0 0 0 0 PRESSAVG: 411100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411100 0 0 0 0 0 0 0 0 0 TIMING: 411100 CPU: 1638.09, 0.0039703/step Wall: 1638.09, 0.0039703/step, 0.0980443 hours remaining, 109.652344 MB of memory in use. ENERGY: 411100 661.7682 1861.5912 2005.7249 111.8078 -14.0821 -1029.1888 156.5874 0.0000 2772.8461 6527.0547 306.2686 3754.2086 6561.8205 302.8143 PRESSURE: 411200 0 0 0 0 0 0 0 0 0 GPRESSURE: 411200 0 0 0 0 0 0 0 0 0 PRESSAVG: 411200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411200 0 0 0 0 0 0 0 0 0 TIMING: 411200 CPU: 1638.48, 0.00398325/step Wall: 1638.48, 0.00398325/step, 0.0982536 hours remaining, 109.652344 MB of memory in use. ENERGY: 411200 618.7019 1927.3647 2016.8197 109.5382 -12.5884 -1031.9381 165.4821 0.0000 2733.7245 6527.1045 301.9475 3793.3801 6559.4357 301.9237 PRESSURE: 411300 0 0 0 0 0 0 0 0 0 GPRESSURE: 411300 0 0 0 0 0 0 0 0 0 PRESSAVG: 411300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411300 0 0 0 0 0 0 0 0 0 TIMING: 411300 CPU: 1638.88, 0.00396942/step Wall: 1638.88, 0.00396942/step, 0.0978021 hours remaining, 109.652344 MB of memory in use. ENERGY: 411300 621.5874 1922.5544 2024.6099 107.1044 -13.3026 -1043.5712 169.2675 0.0000 2718.2517 6506.5015 300.2385 3788.2498 6537.4673 301.0085 PRESSURE: 411400 0 0 0 0 0 0 0 0 0 GPRESSURE: 411400 0 0 0 0 0 0 0 0 0 PRESSAVG: 411400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411400 0 0 0 0 0 0 0 0 0 TIMING: 411400 CPU: 1639.28, 0.00398613/step Wall: 1639.28, 0.00398613/step, 0.0981031 hours remaining, 109.652344 MB of memory in use. ENERGY: 411400 685.2671 1887.5760 2028.2119 113.1961 -12.6546 -1082.7279 172.6638 0.0000 2749.3726 6540.9049 303.6759 3791.5323 6578.4978 303.4614 PRESSURE: 411500 0 0 0 0 0 0 0 0 0 GPRESSURE: 411500 0 0 0 0 0 0 0 0 0 PRESSAVG: 411500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411500 0 0 0 0 0 0 0 0 0 TIMING: 411500 CPU: 1639.68, 0.00397084/step Wall: 1639.68, 0.00397084/step, 0.0976165 hours remaining, 109.652344 MB of memory in use. ENERGY: 411500 655.8746 1903.8953 2021.3765 107.5170 -13.6508 -1039.4201 169.6464 0.0000 2720.3978 6525.6367 300.4755 3805.2389 6559.7431 302.2919 PRESSURE: 411600 0 0 0 0 0 0 0 0 0 GPRESSURE: 411600 0 0 0 0 0 0 0 0 0 PRESSAVG: 411600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411600 0 0 0 0 0 0 0 0 0 TIMING: 411600 CPU: 1640.07, 0.00396827/step Wall: 1640.07, 0.00396827/step, 0.0974431 hours remaining, 109.652344 MB of memory in use. ENERGY: 411600 641.0089 1872.6813 2022.7287 112.7559 -13.8141 -1018.1040 165.7918 0.0000 2786.4413 6569.4896 307.7702 3783.0483 6603.4709 303.6831 PRESSURE: 411700 0 0 0 0 0 0 0 0 0 GPRESSURE: 411700 0 0 0 0 0 0 0 0 0 PRESSAVG: 411700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411700 0 0 0 0 0 0 0 0 0 TIMING: 411700 CPU: 1640.47, 0.00398442/step Wall: 1640.47, 0.00398442/step, 0.097729 hours remaining, 109.652344 MB of memory in use. ENERGY: 411700 634.1460 1872.4705 2044.9245 104.7297 -13.1513 -1040.4978 170.7483 0.0000 2749.6760 6523.0459 303.7094 3773.3699 6555.2430 303.5973 PRESSURE: 411800 0 0 0 0 0 0 0 0 0 GPRESSURE: 411800 0 0 0 0 0 0 0 0 0 PRESSAVG: 411800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411800 0 0 0 0 0 0 0 0 0 TIMING: 411800 CPU: 1640.87, 0.00397093/step Wall: 1640.87, 0.00397093/step, 0.0972878 hours remaining, 109.652344 MB of memory in use. ENERGY: 411800 631.3503 1897.3245 2015.8903 110.8866 -13.4766 -977.0455 168.1545 0.0000 2650.1433 6483.2274 292.7157 3833.0841 6513.2082 300.2861 PRESSURE: 411900 0 0 0 0 0 0 0 0 0 GPRESSURE: 411900 0 0 0 0 0 0 0 0 0 PRESSAVG: 411900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 411900 0 0 0 0 0 0 0 0 0 TIMING: 411900 CPU: 1641.27, 0.00398446/step Wall: 1641.27, 0.00398446/step, 0.0975086 hours remaining, 109.652344 MB of memory in use. ENERGY: 411900 629.1926 1896.3104 2032.0653 87.8182 -13.1782 -1041.1765 180.6979 0.0000 2687.3072 6459.0369 296.8206 3771.7297 6493.1683 298.6571 PRESSURE: 412000 0 0 0 0 0 0 0 0 0 GPRESSURE: 412000 0 0 0 0 0 0 0 0 0 PRESSAVG: 412000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412000 0 0 0 0 0 0 0 0 0 TIMING: 412000 CPU: 1641.66, 0.00396919/step Wall: 1641.66, 0.00396919/step, 0.0970246 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 412000 664.9727 1884.8194 1997.3452 99.3650 -14.1049 -1037.3426 166.3861 0.0000 2662.6444 6424.0854 294.0965 3761.4410 6455.5093 296.8857 PRESSURE: 412100 0 0 0 0 0 0 0 0 0 GPRESSURE: 412100 0 0 0 0 0 0 0 0 0 PRESSAVG: 412100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412100 0 0 0 0 0 0 0 0 0 TIMING: 412100 CPU: 1642.06, 0.00396886/step Wall: 1642.06, 0.00396886/step, 0.0969064 hours remaining, 109.652344 MB of memory in use. ENERGY: 412100 659.3706 1891.6100 2004.2223 103.6064 -13.4543 -1087.1847 169.7128 0.0000 2716.5093 6444.3925 300.0460 3727.8831 6474.5966 298.0948 PRESSURE: 412200 0 0 0 0 0 0 0 0 0 GPRESSURE: 412200 0 0 0 0 0 0 0 0 0 PRESSAVG: 412200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412200 0 0 0 0 0 0 0 0 0 TIMING: 412200 CPU: 1642.46, 0.00398487/step Wall: 1642.46, 0.00398487/step, 0.0971866 hours remaining, 109.652344 MB of memory in use. ENERGY: 412200 663.9593 1882.3817 2028.2359 100.7406 -14.0868 -1053.8507 154.3804 0.0000 2683.4081 6445.1686 296.3899 3761.7605 6478.1402 298.2181 LDB: ============= START OF LOAD BALANCING ============== 1645.23 LDB: ============== END OF LOAD BALANCING =============== 1645.23 LDB: =============== DONE WITH MIGRATION ================ 1645.23 PRESSURE: 412300 0 0 0 0 0 0 0 0 0 GPRESSURE: 412300 0 0 0 0 0 0 0 0 0 PRESSAVG: 412300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412300 0 0 0 0 0 0 0 0 0 TIMING: 412300 CPU: 1642.86, 0.00397116/step Wall: 1642.86, 0.00397116/step, 0.0967419 hours remaining, 109.652344 MB of memory in use. ENERGY: 412300 658.2963 1879.7365 2034.5510 107.6797 -13.2732 -1059.6061 169.9902 0.0000 2728.3540 6505.7283 301.3543 3777.3743 6540.0348 299.8186 LDB: ============= START OF LOAD BALANCING ============== 1645.63 LDB: ============== END OF LOAD BALANCING =============== 1645.63 LDB: =============== DONE WITH MIGRATION ================ 1645.63 PRESSURE: 412400 0 0 0 0 0 0 0 0 0 GPRESSURE: 412400 0 0 0 0 0 0 0 0 0 PRESSAVG: 412400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412400 0 0 0 0 0 0 0 0 0 TIMING: 412400 CPU: 1643.26, 0.00399516/step Wall: 1643.26, 0.00399516/step, 0.0972155 hours remaining, 109.652344 MB of memory in use. ENERGY: 412400 688.2474 1864.0127 2042.7430 100.9255 -13.8571 -1048.0229 163.2593 0.0000 2755.9808 6553.2886 304.4058 3797.3079 6588.6824 303.6603 PRESSURE: 412500 0 0 0 0 0 0 0 0 0 GPRESSURE: 412500 0 0 0 0 0 0 0 0 0 PRESSAVG: 412500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412500 0 0 0 0 0 0 0 0 0 TIMING: 412500 CPU: 1643.65, 0.00397102/step Wall: 1643.65, 0.00397102/step, 0.0965179 hours remaining, 109.652344 MB of memory in use. ENERGY: 412500 694.1299 1852.5352 2031.9872 107.8530 -13.5118 -1029.9186 166.6566 0.0000 2756.4897 6566.2211 304.4620 3809.7315 6600.8158 304.2453 PRESSURE: 412600 0 0 0 0 0 0 0 0 0 GPRESSURE: 412600 0 0 0 0 0 0 0 0 0 PRESSAVG: 412600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412600 0 0 0 0 0 0 0 0 0 TIMING: 412600 CPU: 1644.05, 0.00396986/step Wall: 1644.05, 0.00396986/step, 0.0963794 hours remaining, 109.652344 MB of memory in use. ENERGY: 412600 638.9731 1927.8367 2026.0416 110.3209 -13.4526 -1024.3781 166.6351 0.0000 2683.3452 6515.3218 296.3830 3831.9766 6546.5730 302.3389 PRESSURE: 412700 0 0 0 0 0 0 0 0 0 GPRESSURE: 412700 0 0 0 0 0 0 0 0 0 PRESSAVG: 412700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412700 0 0 0 0 0 0 0 0 0 TIMING: 412700 CPU: 1644.45, 0.00398337/step Wall: 1644.45, 0.00398337/step, 0.0965967 hours remaining, 109.652344 MB of memory in use. ENERGY: 412700 625.5990 1926.5762 2028.9088 103.4604 -14.5116 -1026.8998 166.6073 0.0000 2749.5996 6559.3399 303.7009 3809.7403 6593.6622 302.7311 PRESSURE: 412800 0 0 0 0 0 0 0 0 0 GPRESSURE: 412800 0 0 0 0 0 0 0 0 0 PRESSAVG: 412800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412800 0 0 0 0 0 0 0 0 0 TIMING: 412800 CPU: 1644.85, 0.00397057/step Wall: 1644.85, 0.00397057/step, 0.096176 hours remaining, 109.652344 MB of memory in use. ENERGY: 412800 651.9396 1929.6964 2052.2718 107.3823 -12.5131 -1080.5568 168.5946 0.0000 2731.2181 6548.0329 301.6706 3816.8148 6580.7399 304.3608 PRESSURE: 412900 0 0 0 0 0 0 0 0 0 GPRESSURE: 412900 0 0 0 0 0 0 0 0 0 PRESSAVG: 412900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 412900 0 0 0 0 0 0 0 0 0 TIMING: 412900 CPU: 1645.24, 0.00398334/step Wall: 1645.24, 0.00398334/step, 0.0963747 hours remaining, 109.652344 MB of memory in use. ENERGY: 412900 638.7622 1942.6748 2034.4915 100.6341 -13.9669 -1038.3366 172.5585 0.0000 2702.3626 6539.1802 298.4835 3836.8176 6569.7031 302.6369 PRESSURE: 413000 0 0 0 0 0 0 0 0 0 GPRESSURE: 413000 0 0 0 0 0 0 0 0 0 PRESSAVG: 413000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413000 0 0 0 0 0 0 0 0 0 TIMING: 413000 CPU: 1645.64, 0.00396845/step Wall: 1645.64, 0.00396845/step, 0.0959042 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 413000 631.9382 1904.6239 2027.9721 117.7400 -13.8522 -1062.1126 155.9552 0.0000 2789.7428 6552.0073 308.1349 3762.2645 6585.6755 303.5448 PRESSURE: 413100 0 0 0 0 0 0 0 0 0 GPRESSURE: 413100 0 0 0 0 0 0 0 0 0 PRESSAVG: 413100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413100 0 0 0 0 0 0 0 0 0 TIMING: 413100 CPU: 1646.04, 0.00396861/step Wall: 1646.04, 0.00396861/step, 0.0957978 hours remaining, 109.652344 MB of memory in use. ENERGY: 413100 623.5488 1869.2181 2032.1027 103.4817 -14.0614 -1006.6203 179.7438 0.0000 2753.5290 6540.9424 304.1349 3787.4134 6575.8372 304.5231 PRESSURE: 413200 0 0 0 0 0 0 0 0 0 GPRESSURE: 413200 0 0 0 0 0 0 0 0 0 PRESSAVG: 413200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413200 0 0 0 0 0 0 0 0 0 TIMING: 413200 CPU: 1646.44, 0.00398373/step Wall: 1646.44, 0.00398373/step, 0.0960522 hours remaining, 109.652344 MB of memory in use. ENERGY: 413200 642.4724 1948.1161 2042.5043 104.7983 -14.3491 -1047.1732 155.9854 0.0000 2717.0499 6549.4040 300.1057 3832.3541 6584.8271 302.4601 PRESSURE: 413300 0 0 0 0 0 0 0 0 0 GPRESSURE: 413300 0 0 0 0 0 0 0 0 0 PRESSAVG: 413300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413300 0 0 0 0 0 0 0 0 0 TIMING: 413300 CPU: 1646.83, 0.0039695/step Wall: 1646.83, 0.0039695/step, 0.0955988 hours remaining, 109.652344 MB of memory in use. ENERGY: 413300 684.1336 1895.6234 1993.9507 107.6060 -14.6011 -1064.4851 170.4059 0.0000 2775.8802 6548.5138 306.6037 3772.6335 6585.3448 303.3707 PRESSURE: 413400 0 0 0 0 0 0 0 0 0 GPRESSURE: 413400 0 0 0 0 0 0 0 0 0 PRESSAVG: 413400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413400 0 0 0 0 0 0 0 0 0 TIMING: 413400 CPU: 1647.23, 0.00398447/step Wall: 1647.23, 0.00398447/step, 0.0958486 hours remaining, 109.652344 MB of memory in use. ENERGY: 413400 665.1096 1852.9007 2023.4759 110.0400 -14.5844 -1008.7970 171.7903 0.0000 2769.0072 6568.9424 305.8446 3799.9352 6603.5901 303.8974 PRESSURE: 413500 0 0 0 0 0 0 0 0 0 GPRESSURE: 413500 0 0 0 0 0 0 0 0 0 PRESSAVG: 413500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413500 0 0 0 0 0 0 0 0 0 TIMING: 413500 CPU: 1647.63, 0.00397073/step Wall: 1647.63, 0.00397073/step, 0.0954078 hours remaining, 109.652344 MB of memory in use. ENERGY: 413500 666.4237 1929.4554 1998.8706 104.1961 -13.5358 -1025.0089 156.6491 0.0000 2765.6715 6582.7218 305.4761 3817.0502 6612.9664 305.0172 PRESSURE: 413600 0 0 0 0 0 0 0 0 0 GPRESSURE: 413600 0 0 0 0 0 0 0 0 0 PRESSAVG: 413600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413600 0 0 0 0 0 0 0 0 0 TIMING: 413600 CPU: 1648.03, 0.00397242/step Wall: 1648.03, 0.00397242/step, 0.0953381 hours remaining, 109.652344 MB of memory in use. ENERGY: 413600 677.2944 1890.4074 2005.5810 117.9290 -14.5419 -1018.6811 151.9756 0.0000 2751.3050 6561.2693 303.8893 3809.9643 6593.6183 305.1203 PRESSURE: 413700 0 0 0 0 0 0 0 0 0 GPRESSURE: 413700 0 0 0 0 0 0 0 0 0 PRESSAVG: 413700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413700 0 0 0 0 0 0 0 0 0 TIMING: 413700 CPU: 1648.42, 0.00398114/step Wall: 1648.42, 0.00398113/step, 0.0954365 hours remaining, 109.652344 MB of memory in use. ENERGY: 413700 649.7147 1805.7584 2029.9490 108.8487 -13.7713 -1020.7589 167.1599 0.0000 2787.8308 6514.7312 307.9237 3726.9004 6552.4227 304.0627 PRESSURE: 413800 0 0 0 0 0 0 0 0 0 GPRESSURE: 413800 0 0 0 0 0 0 0 0 0 PRESSAVG: 413800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413800 0 0 0 0 0 0 0 0 0 TIMING: 413800 CPU: 1648.82, 0.00397177/step Wall: 1648.82, 0.00397178/step, 0.095102 hours remaining, 109.652344 MB of memory in use. ENERGY: 413800 643.5761 1870.7908 2007.0401 112.9449 -14.0916 -1013.7363 155.8650 0.0000 2785.2407 6547.6297 307.6376 3762.3890 6583.1876 302.6985 PRESSURE: 413900 0 0 0 0 0 0 0 0 0 GPRESSURE: 413900 0 0 0 0 0 0 0 0 0 PRESSAVG: 413900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 413900 0 0 0 0 0 0 0 0 0 TIMING: 413900 CPU: 1649.22, 0.00398405/step Wall: 1649.22, 0.00398405/step, 0.0952852 hours remaining, 109.652344 MB of memory in use. ENERGY: 413900 649.7565 1899.1018 2048.6087 106.8104 -13.8480 -1039.0536 169.5511 0.0000 2728.8367 6549.7636 301.4076 3820.9268 6582.0150 305.3871 PRESSURE: 414000 0 0 0 0 0 0 0 0 0 GPRESSURE: 414000 0 0 0 0 0 0 0 0 0 PRESSAVG: 414000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414000 0 0 0 0 0 0 0 0 0 TIMING: 414000 CPU: 1649.62, 0.00397328/step Wall: 1649.62, 0.00397328/step, 0.0949172 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 414000 647.1876 1890.4557 2020.3628 119.2491 -14.5911 -1064.3218 163.5757 0.0000 2769.1785 6531.0965 305.8635 3761.9180 6564.8824 304.2495 PRESSURE: 414100 0 0 0 0 0 0 0 0 0 GPRESSURE: 414100 0 0 0 0 0 0 0 0 0 PRESSAVG: 414100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414100 0 0 0 0 0 0 0 0 0 TIMING: 414100 CPU: 1650.01, 0.00396991/step Wall: 1650.01, 0.00396991/step, 0.0947265 hours remaining, 109.652344 MB of memory in use. ENERGY: 414100 667.3837 1897.2938 1978.3027 102.1617 -14.3566 -1066.4024 150.2360 0.0000 2803.7249 6518.3437 309.6792 3714.6188 6553.6200 302.2289 PRESSURE: 414200 0 0 0 0 0 0 0 0 0 GPRESSURE: 414200 0 0 0 0 0 0 0 0 0 PRESSAVG: 414200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414200 0 0 0 0 0 0 0 0 0 TIMING: 414200 CPU: 1650.41, 0.00398682/step Wall: 1650.41, 0.00398682/step, 0.0950192 hours remaining, 109.652344 MB of memory in use. ENERGY: 414200 657.5605 1925.3376 2018.5472 104.0756 -13.1618 -1055.4491 176.0709 0.0000 2752.4629 6565.4438 304.0172 3812.9809 6598.6834 303.0249 PRESSURE: 414300 0 0 0 0 0 0 0 0 0 GPRESSURE: 414300 0 0 0 0 0 0 0 0 0 PRESSAVG: 414300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414300 0 0 0 0 0 0 0 0 0 TIMING: 414300 CPU: 1650.81, 0.00397163/step Wall: 1650.81, 0.00397163/step, 0.0945468 hours remaining, 109.652344 MB of memory in use. ENERGY: 414300 649.4517 1934.5663 2022.5123 114.3387 -13.5911 -1030.5964 160.1721 0.0000 2751.1186 6587.9723 303.8687 3836.8537 6618.4809 305.8574 PRESSURE: 414400 0 0 0 0 0 0 0 0 0 GPRESSURE: 414400 0 0 0 0 0 0 0 0 0 PRESSAVG: 414400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414400 0 0 0 0 0 0 0 0 0 TIMING: 414400 CPU: 1651.21, 0.00398344/step Wall: 1651.21, 0.00398344/step, 0.0947174 hours remaining, 109.652344 MB of memory in use. ENERGY: 414400 648.0405 1937.9620 1993.8122 113.2307 -14.6664 -1031.4808 164.4981 0.0000 2765.0065 6576.4028 305.4027 3811.3963 6610.8765 307.0721 PRESSURE: 414500 0 0 0 0 0 0 0 0 0 GPRESSURE: 414500 0 0 0 0 0 0 0 0 0 PRESSAVG: 414500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414500 0 0 0 0 0 0 0 0 0 TIMING: 414500 CPU: 1651.61, 0.00397265/step Wall: 1651.61, 0.00397265/step, 0.0943504 hours remaining, 109.652344 MB of memory in use. ENERGY: 414500 692.7293 1885.6716 2016.3440 101.0902 -15.2018 -1033.3180 182.8092 0.0000 2727.9497 6558.0742 301.3096 3830.1245 6589.2929 303.5024 PRESSURE: 414600 0 0 0 0 0 0 0 0 0 GPRESSURE: 414600 0 0 0 0 0 0 0 0 0 PRESSAVG: 414600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414600 0 0 0 0 0 0 0 0 0 TIMING: 414600 CPU: 1652, 0.00397071/step Wall: 1652, 0.00397071/step, 0.0941941 hours remaining, 109.652344 MB of memory in use. ENERGY: 414600 660.3308 1895.5265 1999.0686 104.8207 -14.3618 -1010.3510 160.8411 0.0000 2707.7561 6503.6309 299.0792 3795.8749 6536.4566 304.3535 PRESSURE: 414700 0 0 0 0 0 0 0 0 0 GPRESSURE: 414700 0 0 0 0 0 0 0 0 0 PRESSAVG: 414700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414700 0 0 0 0 0 0 0 0 0 TIMING: 414700 CPU: 1652.4, 0.00398171/step Wall: 1652.4, 0.00398171/step, 0.0943444 hours remaining, 109.652344 MB of memory in use. ENERGY: 414700 646.0642 1918.1815 1978.9833 100.0782 -15.0061 -1030.4801 163.1864 0.0000 2726.4005 6487.4078 301.1385 3761.0073 6524.2281 300.2078 PRESSURE: 414800 0 0 0 0 0 0 0 0 0 GPRESSURE: 414800 0 0 0 0 0 0 0 0 0 PRESSAVG: 414800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414800 0 0 0 0 0 0 0 0 0 TIMING: 414800 CPU: 1652.8, 0.00397145/step Wall: 1652.8, 0.00397145/step, 0.093991 hours remaining, 109.652344 MB of memory in use. ENERGY: 414800 689.8681 1853.3996 1998.3335 86.1573 -14.5979 -1053.4252 156.9777 0.0000 2769.4737 6486.1869 305.8961 3716.7132 6518.7607 300.3236 PRESSURE: 414900 0 0 0 0 0 0 0 0 0 GPRESSURE: 414900 0 0 0 0 0 0 0 0 0 PRESSAVG: 414900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 414900 0 0 0 0 0 0 0 0 0 TIMING: 414900 CPU: 1653.2, 0.00397386/step Wall: 1653.2, 0.00397386/step, 0.0939376 hours remaining, 109.652344 MB of memory in use. ENERGY: 414900 646.5783 1917.9791 2009.2919 98.9533 -14.3627 -1050.2589 170.4585 0.0000 2720.3007 6498.9402 300.4648 3778.6394 6532.0524 301.1968 PRESSURE: 415000 0 0 0 0 0 0 0 0 0 GPRESSURE: 415000 0 0 0 0 0 0 0 0 0 PRESSAVG: 415000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415000 0 0 0 0 0 0 0 0 0 TIMING: 415000 CPU: 1653.59, 0.00398616/step Wall: 1653.59, 0.00398616/step, 0.0941177 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 415000 660.4675 1822.6666 2031.5677 99.4718 -15.0510 -1013.0827 162.2834 0.0000 2748.2292 6496.5525 303.5496 3748.3233 6532.1800 301.7679 PRESSURE: 415100 0 0 0 0 0 0 0 0 0 GPRESSURE: 415100 0 0 0 0 0 0 0 0 0 PRESSAVG: 415100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415100 0 0 0 0 0 0 0 0 0 TIMING: 415100 CPU: 1653.99, 0.0039694/step Wall: 1653.99, 0.0039694/step, 0.0936117 hours remaining, 109.652344 MB of memory in use. ENERGY: 415100 653.9768 1853.5113 1997.8829 115.8851 -14.8528 -1047.3706 157.8237 0.0000 2813.8220 6530.6785 310.7945 3716.8565 6567.6205 302.1291 PRESSURE: 415200 0 0 0 0 0 0 0 0 0 GPRESSURE: 415200 0 0 0 0 0 0 0 0 0 PRESSAVG: 415200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415200 0 0 0 0 0 0 0 0 0 TIMING: 415200 CPU: 1654.39, 0.00398345/step Wall: 1654.39, 0.00398345/step, 0.0938324 hours remaining, 109.652344 MB of memory in use. ENERGY: 415200 637.6375 1890.8278 2017.1478 110.7285 -13.5207 -1053.7235 172.0906 0.0000 2720.5023 6481.6904 300.4871 3761.1881 6516.4028 302.4989 PRESSURE: 415300 0 0 0 0 0 0 0 0 0 GPRESSURE: 415300 0 0 0 0 0 0 0 0 0 PRESSAVG: 415300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415300 0 0 0 0 0 0 0 0 0 TIMING: 415300 CPU: 1654.79, 0.00397016/step Wall: 1654.79, 0.00397015/step, 0.0934088 hours remaining, 109.652344 MB of memory in use. ENERGY: 415300 658.1801 1853.3542 2016.5157 107.0246 -14.1210 -1039.7324 160.3155 0.0000 2700.2071 6441.7438 298.2454 3741.5367 6476.5973 298.8760 PRESSURE: 415400 0 0 0 0 0 0 0 0 0 GPRESSURE: 415400 0 0 0 0 0 0 0 0 0 PRESSAVG: 415400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415400 0 0 0 0 0 0 0 0 0 TIMING: 415400 CPU: 1655.18, 0.00396887/step Wall: 1655.18, 0.00396888/step, 0.0932687 hours remaining, 109.652344 MB of memory in use. ENERGY: 415400 637.8972 1895.3358 2010.2463 102.0527 -15.1066 -1036.8140 158.3338 0.0000 2743.8560 6495.8012 303.0665 3751.9451 6528.7885 299.9480 PRESSURE: 415500 0 0 0 0 0 0 0 0 0 GPRESSURE: 415500 0 0 0 0 0 0 0 0 0 PRESSAVG: 415500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415500 0 0 0 0 0 0 0 0 0 TIMING: 415500 CPU: 1655.58, 0.00398778/step Wall: 1655.58, 0.00398778/step, 0.093602 hours remaining, 109.652344 MB of memory in use. ENERGY: 415500 708.5997 1852.8045 2011.1310 101.0729 -14.6442 -1066.9776 163.4015 0.0000 2714.5850 6469.9729 299.8335 3755.3879 6502.0038 300.5214 PRESSURE: 415600 0 0 0 0 0 0 0 0 0 GPRESSURE: 415600 0 0 0 0 0 0 0 0 0 PRESSAVG: 415600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415600 0 0 0 0 0 0 0 0 0 TIMING: 415600 CPU: 1655.98, 0.00397088/step Wall: 1655.98, 0.00397088/step, 0.0930951 hours remaining, 109.652344 MB of memory in use. ENERGY: 415600 675.8373 1917.7185 1996.7163 93.4186 -14.4725 -1069.9175 158.3998 0.0000 2707.2155 6464.9160 299.0195 3757.7005 6498.7365 300.1945 PRESSURE: 415700 0 0 0 0 0 0 0 0 0 GPRESSURE: 415700 0 0 0 0 0 0 0 0 0 PRESSAVG: 415700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415700 0 0 0 0 0 0 0 0 0 TIMING: 415700 CPU: 1656.38, 0.0039838/step Wall: 1656.38, 0.0039838/step, 0.0932873 hours remaining, 109.652344 MB of memory in use. ENERGY: 415700 654.3612 1845.6949 2008.2749 97.0906 -15.3388 -1040.9606 164.3045 0.0000 2696.2524 6409.6791 297.8086 3713.4268 6445.3647 299.1019 PRESSURE: 415800 0 0 0 0 0 0 0 0 0 GPRESSURE: 415800 0 0 0 0 0 0 0 0 0 PRESSAVG: 415800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415800 0 0 0 0 0 0 0 0 0 TIMING: 415800 CPU: 1656.77, 0.00397095/step Wall: 1656.77, 0.00397095/step, 0.0928762 hours remaining, 109.652344 MB of memory in use. ENERGY: 415800 649.2227 1844.4096 1992.3490 104.8324 -13.7276 -1059.8535 157.1020 0.0000 2695.0587 6369.3932 297.6767 3674.3346 6408.2342 295.2301 PRESSURE: 415900 0 0 0 0 0 0 0 0 0 GPRESSURE: 415900 0 0 0 0 0 0 0 0 0 PRESSAVG: 415900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 415900 0 0 0 0 0 0 0 0 0 TIMING: 415900 CPU: 1657.17, 0.00397055/step Wall: 1657.17, 0.00397055/step, 0.0927564 hours remaining, 109.652344 MB of memory in use. ENERGY: 415900 675.7673 1856.5661 1979.2520 99.4804 -15.1658 -1064.2075 160.6007 0.0000 2689.5599 6381.8530 297.0694 3692.2930 6413.3899 294.1218 PRESSURE: 416000 0 0 0 0 0 0 0 0 0 GPRESSURE: 416000 0 0 0 0 0 0 0 0 0 PRESSAVG: 416000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416000 0 0 0 0 0 0 0 0 0 TIMING: 416000 CPU: 1657.57, 0.00398729/step Wall: 1657.57, 0.00398729/step, 0.0930368 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 416000 643.4624 1867.7527 1982.1257 105.0885 -14.9793 -1056.3892 159.3733 0.0000 2702.6151 6389.0492 298.5114 3686.4341 6420.4089 295.1330 PRESSURE: 416100 0 0 0 0 0 0 0 0 0 GPRESSURE: 416100 0 0 0 0 0 0 0 0 0 PRESSAVG: 416100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416100 0 0 0 0 0 0 0 0 0 TIMING: 416100 CPU: 1657.97, 0.00397155/step Wall: 1657.97, 0.00397155/step, 0.0925591 hours remaining, 109.652344 MB of memory in use. ENERGY: 416100 651.9639 1887.8482 2009.6232 114.1677 -14.6070 -1061.4054 173.6619 0.0000 2686.0350 6447.2875 296.6800 3761.2525 6480.4407 297.5203 PRESSURE: 416200 0 0 0 0 0 0 0 0 0 GPRESSURE: 416200 0 0 0 0 0 0 0 0 0 PRESSAVG: 416200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416200 0 0 0 0 0 0 0 0 0 TIMING: 416200 CPU: 1658.37, 0.0039862/step Wall: 1658.37, 0.0039862/step, 0.0927899 hours remaining, 109.652344 MB of memory in use. ENERGY: 416200 650.3375 1831.3040 2042.1068 105.3359 -14.0667 -1043.8024 171.0228 0.0000 2725.8297 6468.0677 301.0755 3742.2380 6498.8734 299.2819 LDB: ============= START OF LOAD BALANCING ============== 1661.14 LDB: ============== END OF LOAD BALANCING =============== 1661.14 LDB: =============== DONE WITH MIGRATION ================ 1661.14 PRESSURE: 416300 0 0 0 0 0 0 0 0 0 GPRESSURE: 416300 0 0 0 0 0 0 0 0 0 PRESSAVG: 416300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416300 0 0 0 0 0 0 0 0 0 TIMING: 416300 CPU: 1658.76, 0.00397206/step Wall: 1658.76, 0.00397206/step, 0.0923504 hours remaining, 109.652344 MB of memory in use. ENERGY: 416300 648.9729 1923.2352 1997.4355 100.8675 -14.2812 -1022.8083 162.3632 0.0000 2704.6215 6500.4063 298.7330 3795.7848 6533.9324 300.1471 LDB: ============= START OF LOAD BALANCING ============== 1661.54 LDB: ============== END OF LOAD BALANCING =============== 1661.54 LDB: =============== DONE WITH MIGRATION ================ 1661.54 PRESSURE: 416400 0 0 0 0 0 0 0 0 0 GPRESSURE: 416400 0 0 0 0 0 0 0 0 0 PRESSAVG: 416400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416400 0 0 0 0 0 0 0 0 0 TIMING: 416400 CPU: 1659.16, 0.00397526/step Wall: 1659.16, 0.00397526/step, 0.0923144 hours remaining, 109.652344 MB of memory in use. ENERGY: 416400 654.6958 1884.0242 1983.0905 108.9476 -14.5605 -1050.7548 167.9042 0.0000 2756.2269 6489.5739 304.4329 3733.3470 6522.2981 301.1842 PRESSURE: 416500 0 0 0 0 0 0 0 0 0 GPRESSURE: 416500 0 0 0 0 0 0 0 0 0 PRESSAVG: 416500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416500 0 0 0 0 0 0 0 0 0 TIMING: 416500 CPU: 1659.56, 0.00398591/step Wall: 1659.56, 0.00398591/step, 0.0924509 hours remaining, 109.652344 MB of memory in use. ENERGY: 416500 633.5495 1884.5745 2015.3419 101.9038 -13.6721 -1026.1943 158.6995 0.0000 2702.1798 6456.3827 298.4633 3754.2029 6487.4964 299.9658 PRESSURE: 416600 0 0 0 0 0 0 0 0 0 GPRESSURE: 416600 0 0 0 0 0 0 0 0 0 PRESSAVG: 416600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416600 0 0 0 0 0 0 0 0 0 TIMING: 416600 CPU: 1659.96, 0.00397001/step Wall: 1659.96, 0.00397001/step, 0.0919719 hours remaining, 109.652344 MB of memory in use. ENERGY: 416600 655.5799 1882.8868 1994.0808 110.8482 -14.4424 -1058.3841 162.4753 0.0000 2703.2833 6436.3277 298.5852 3733.0445 6470.8123 298.5332 PRESSURE: 416700 0 0 0 0 0 0 0 0 0 GPRESSURE: 416700 0 0 0 0 0 0 0 0 0 PRESSAVG: 416700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416700 0 0 0 0 0 0 0 0 0 TIMING: 416700 CPU: 1660.35, 0.00398355/step Wall: 1660.35, 0.00398355/step, 0.0921749 hours remaining, 109.652344 MB of memory in use. ENERGY: 416700 626.4311 1840.3616 1970.7061 103.4266 -14.1563 -1046.6511 152.4072 0.0000 2791.2504 6423.7756 308.3014 3632.5252 6459.6566 297.1796 PRESSURE: 416800 0 0 0 0 0 0 0 0 0 GPRESSURE: 416800 0 0 0 0 0 0 0 0 0 PRESSAVG: 416800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416800 0 0 0 0 0 0 0 0 0 TIMING: 416800 CPU: 1660.75, 0.00397124/step Wall: 1660.75, 0.00397124/step, 0.0917798 hours remaining, 109.652344 MB of memory in use. ENERGY: 416800 645.4636 1883.1987 1982.4321 102.1492 -14.2643 -1058.1678 151.9571 0.0000 2735.0830 6427.8516 302.0975 3692.7686 6459.1473 297.9116 PRESSURE: 416900 0 0 0 0 0 0 0 0 0 GPRESSURE: 416900 0 0 0 0 0 0 0 0 0 PRESSAVG: 416900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 416900 0 0 0 0 0 0 0 0 0 TIMING: 416900 CPU: 1661.15, 0.00396945/step Wall: 1661.15, 0.00396945/step, 0.0916281 hours remaining, 109.652344 MB of memory in use. ENERGY: 416900 654.6866 1904.6845 1991.2540 104.5378 -14.7117 -1063.8369 171.1595 0.0000 2644.3673 6392.1410 292.0777 3747.7737 6424.6157 297.6479 PRESSURE: 417000 0 0 0 0 0 0 0 0 0 GPRESSURE: 417000 0 0 0 0 0 0 0 0 0 PRESSAVG: 417000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417000 0 0 0 0 0 0 0 0 0 TIMING: 417000 CPU: 1661.55, 0.0039869/step Wall: 1661.55, 0.0039869/step, 0.0919202 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 417000 640.1750 1839.5518 1987.2555 92.2443 -14.1383 -1018.4809 161.0306 0.0000 2679.8624 6367.5004 295.9983 3687.6380 6400.4002 293.2609 PRESSURE: 417100 0 0 0 0 0 0 0 0 0 GPRESSURE: 417100 0 0 0 0 0 0 0 0 0 PRESSAVG: 417100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417100 0 0 0 0 0 0 0 0 0 TIMING: 417100 CPU: 1661.94, 0.00396956/step Wall: 1661.94, 0.00396956/step, 0.0914101 hours remaining, 109.652344 MB of memory in use. ENERGY: 417100 620.3604 1838.1013 2002.2625 100.9566 -13.6596 -1041.3470 152.9602 0.0000 2716.8625 6376.4969 300.0850 3659.6345 6411.2941 295.4688 PRESSURE: 417200 0 0 0 0 0 0 0 0 0 GPRESSURE: 417200 0 0 0 0 0 0 0 0 0 PRESSAVG: 417200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417200 0 0 0 0 0 0 0 0 0 TIMING: 417200 CPU: 1662.34, 0.00398255/step Wall: 1662.34, 0.00398255/step, 0.0915987 hours remaining, 109.652344 MB of memory in use. ENERGY: 417200 632.9936 1854.7143 2000.8286 108.7281 -13.8136 -1048.6388 158.3697 0.0000 2664.3662 6357.5480 294.2867 3693.1818 6390.3284 293.1268 PRESSURE: 417300 0 0 0 0 0 0 0 0 0 GPRESSURE: 417300 0 0 0 0 0 0 0 0 0 PRESSAVG: 417300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417300 0 0 0 0 0 0 0 0 0 TIMING: 417300 CPU: 1662.74, 0.00396895/step Wall: 1662.74, 0.00396894/step, 0.0911754 hours remaining, 109.652344 MB of memory in use. ENERGY: 417300 646.8530 1843.8954 1990.7941 95.3565 -14.7284 -1048.9904 159.0046 0.0000 2701.2376 6373.4224 298.3592 3672.1848 6407.3918 294.4286 PRESSURE: 417400 0 0 0 0 0 0 0 0 0 GPRESSURE: 417400 0 0 0 0 0 0 0 0 0 PRESSAVG: 417400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417400 0 0 0 0 0 0 0 0 0 TIMING: 417400 CPU: 1663.14, 0.0039717/step Wall: 1663.14, 0.00397171/step, 0.0911287 hours remaining, 109.652344 MB of memory in use. ENERGY: 417400 633.0240 1852.3046 2006.1342 97.7811 -15.1470 -1036.2465 155.2802 0.0000 2707.2804 6400.4111 299.0267 3693.1307 6431.5383 295.6218 PRESSURE: 417500 0 0 0 0 0 0 0 0 0 GPRESSURE: 417500 0 0 0 0 0 0 0 0 0 PRESSAVG: 417500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417500 0 0 0 0 0 0 0 0 0 TIMING: 417500 CPU: 1663.54, 0.00398723/step Wall: 1663.54, 0.00398723/step, 0.091374 hours remaining, 109.652344 MB of memory in use. ENERGY: 417500 648.8063 1859.0673 2006.6904 103.0708 -14.3035 -1039.4173 168.7758 0.0000 2682.9550 6415.6448 296.3399 3732.6898 6449.1277 296.5164 PRESSURE: 417600 0 0 0 0 0 0 0 0 0 GPRESSURE: 417600 0 0 0 0 0 0 0 0 0 PRESSAVG: 417600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417600 0 0 0 0 0 0 0 0 0 TIMING: 417600 CPU: 1663.93, 0.00397089/step Wall: 1663.93, 0.00397089/step, 0.0908893 hours remaining, 109.652344 MB of memory in use. ENERGY: 417600 625.7411 1822.7131 1981.1457 106.1909 -14.6014 -1009.2528 157.3453 0.0000 2686.3428 6355.6246 296.7141 3669.2818 6390.7924 294.3855 PRESSURE: 417700 0 0 0 0 0 0 0 0 0 GPRESSURE: 417700 0 0 0 0 0 0 0 0 0 PRESSAVG: 417700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417700 0 0 0 0 0 0 0 0 0 TIMING: 417700 CPU: 1664.33, 0.00398453/step Wall: 1664.33, 0.00398453/step, 0.0910908 hours remaining, 109.652344 MB of memory in use. ENERGY: 417700 620.8349 1811.4087 1995.8924 100.8148 -14.7136 -1024.2047 149.4260 0.0000 2706.1677 6345.6263 298.9038 3639.4586 6378.6264 293.4839 PRESSURE: 417800 0 0 0 0 0 0 0 0 0 GPRESSURE: 417800 0 0 0 0 0 0 0 0 0 PRESSAVG: 417800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417800 0 0 0 0 0 0 0 0 0 TIMING: 417800 CPU: 1664.73, 0.00396968/step Wall: 1664.73, 0.00396967/step, 0.0906408 hours remaining, 109.652344 MB of memory in use. ENERGY: 417800 623.5983 1796.3348 1992.8663 109.3433 -14.3900 -1058.4231 163.5584 0.0000 2775.6149 6388.5028 306.5744 3612.8880 6424.6195 295.3227 PRESSURE: 417900 0 0 0 0 0 0 0 0 0 GPRESSURE: 417900 0 0 0 0 0 0 0 0 0 PRESSAVG: 417900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 417900 0 0 0 0 0 0 0 0 0 TIMING: 417900 CPU: 1665.12, 0.00396833/step Wall: 1665.12, 0.00396833/step, 0.0905 hours remaining, 109.652344 MB of memory in use. ENERGY: 417900 647.2343 1862.4165 2006.1464 109.4731 -14.0206 -1054.4905 161.4539 0.0000 2689.0905 6407.3035 297.0175 3718.2130 6439.6985 297.2414 PRESSURE: 418000 0 0 0 0 0 0 0 0 0 GPRESSURE: 418000 0 0 0 0 0 0 0 0 0 PRESSAVG: 418000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418000 0 0 0 0 0 0 0 0 0 TIMING: 418000 CPU: 1665.52, 0.00398587/step Wall: 1665.52, 0.00398588/step, 0.0907895 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 418000 676.1290 1857.5074 2007.1058 108.7566 -14.3119 -1074.7799 163.2622 0.0000 2668.1269 6391.7961 294.7020 3723.6693 6425.1443 296.7104 PRESSURE: 418100 0 0 0 0 0 0 0 0 0 GPRESSURE: 418100 0 0 0 0 0 0 0 0 0 PRESSAVG: 418100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418100 0 0 0 0 0 0 0 0 0 TIMING: 418100 CPU: 1665.92, 0.00397031/step Wall: 1665.92, 0.00397031/step, 0.0903246 hours remaining, 109.652344 MB of memory in use. ENERGY: 418100 668.4529 1827.8038 2013.6071 98.6084 -13.4763 -1038.9974 159.2154 0.0000 2708.8290 6424.0429 299.1977 3715.2139 6457.3599 295.4329 PRESSURE: 418200 0 0 0 0 0 0 0 0 0 GPRESSURE: 418200 0 0 0 0 0 0 0 0 0 PRESSAVG: 418200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418200 0 0 0 0 0 0 0 0 0 TIMING: 418200 CPU: 1666.32, 0.00398215/step Wall: 1666.32, 0.00398215/step, 0.0904833 hours remaining, 109.652344 MB of memory in use. ENERGY: 418200 678.2327 1893.4850 2011.2512 104.2957 -13.8174 -1058.3913 164.0586 0.0000 2702.9322 6482.0467 298.5464 3779.1145 6515.7504 299.2443 PRESSURE: 418300 0 0 0 0 0 0 0 0 0 GPRESSURE: 418300 0 0 0 0 0 0 0 0 0 PRESSAVG: 418300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418300 0 0 0 0 0 0 0 0 0 TIMING: 418300 CPU: 1666.72, 0.00397159/step Wall: 1666.72, 0.00397159/step, 0.0901331 hours remaining, 109.652344 MB of memory in use. ENERGY: 418300 639.6935 1897.0867 1987.5404 113.9875 -13.5164 -1011.8105 166.8888 0.0000 2717.2033 6497.0734 300.1227 3779.8701 6528.7037 300.0031 PRESSURE: 418400 0 0 0 0 0 0 0 0 0 GPRESSURE: 418400 0 0 0 0 0 0 0 0 0 PRESSAVG: 418400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418400 0 0 0 0 0 0 0 0 0 TIMING: 418400 CPU: 1667.11, 0.00396981/step Wall: 1667.11, 0.00396981/step, 0.0899824 hours remaining, 109.652344 MB of memory in use. ENERGY: 418400 659.1282 1950.3250 1993.3080 106.6100 -14.6584 -1024.6088 158.7238 0.0000 2670.4949 6499.3230 294.9636 3828.8280 6532.0777 301.6768 PRESSURE: 418500 0 0 0 0 0 0 0 0 0 GPRESSURE: 418500 0 0 0 0 0 0 0 0 0 PRESSAVG: 418500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418500 0 0 0 0 0 0 0 0 0 TIMING: 418500 CPU: 1667.51, 0.00398729/step Wall: 1667.51, 0.00398729/step, 0.0902678 hours remaining, 109.652344 MB of memory in use. ENERGY: 418500 680.6691 1873.9599 2019.1833 112.3385 -14.3338 -1050.4833 163.3600 0.0000 2695.6666 6480.3603 297.7439 3784.6937 6514.6640 300.7319 PRESSURE: 418600 0 0 0 0 0 0 0 0 0 GPRESSURE: 418600 0 0 0 0 0 0 0 0 0 PRESSAVG: 418600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418600 0 0 0 0 0 0 0 0 0 TIMING: 418600 CPU: 1667.91, 0.00397002/step Wall: 1667.91, 0.00397001/step, 0.0897663 hours remaining, 109.652344 MB of memory in use. ENERGY: 418600 719.4532 1871.7918 2000.9999 109.4423 -13.6136 -1076.2340 150.1765 0.0000 2700.3086 6462.3246 298.2566 3762.0160 6497.1131 299.5280 PRESSURE: 418700 0 0 0 0 0 0 0 0 0 GPRESSURE: 418700 0 0 0 0 0 0 0 0 0 PRESSAVG: 418700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418700 0 0 0 0 0 0 0 0 0 TIMING: 418700 CPU: 1668.31, 0.0039868/step Wall: 1668.31, 0.00398681/step, 0.0900354 hours remaining, 109.652344 MB of memory in use. ENERGY: 418700 671.1807 1856.2294 2039.7784 102.6664 -13.5415 -1010.8845 155.4730 0.0000 2674.9638 6475.8657 295.4572 3800.9019 6506.8101 299.4579 PRESSURE: 418800 0 0 0 0 0 0 0 0 0 GPRESSURE: 418800 0 0 0 0 0 0 0 0 0 PRESSAVG: 418800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418800 0 0 0 0 0 0 0 0 0 TIMING: 418800 CPU: 1668.7, 0.00397079/step Wall: 1668.7, 0.00397079/step, 0.0895634 hours remaining, 109.652344 MB of memory in use. ENERGY: 418800 673.2560 1847.2353 2008.8534 113.0704 -14.5609 -1012.5856 155.8098 0.0000 2719.9295 6491.0081 300.4238 3771.0786 6525.4171 298.8615 PRESSURE: 418900 0 0 0 0 0 0 0 0 0 GPRESSURE: 418900 0 0 0 0 0 0 0 0 0 PRESSAVG: 418900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 418900 0 0 0 0 0 0 0 0 0 TIMING: 418900 CPU: 1669.1, 0.00397068/step Wall: 1669.1, 0.00397068/step, 0.0894506 hours remaining, 109.652344 MB of memory in use. ENERGY: 418900 644.7115 1913.9956 2016.7588 97.3639 -14.7555 -1045.5715 152.3035 0.0000 2721.6028 6486.4090 300.6086 3764.8062 6518.5229 302.1705 PRESSURE: 419000 0 0 0 0 0 0 0 0 0 GPRESSURE: 419000 0 0 0 0 0 0 0 0 0 PRESSAVG: 419000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419000 0 0 0 0 0 0 0 0 0 TIMING: 419000 CPU: 1669.5, 0.00398454/step Wall: 1669.5, 0.00398454/step, 0.0896521 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 419000 649.9043 1915.5322 2013.8430 112.7568 -13.4519 -1044.4167 171.5882 0.0000 2709.0497 6514.8055 299.2221 3805.7558 6549.2277 301.4436 PRESSURE: 419100 0 0 0 0 0 0 0 0 0 GPRESSURE: 419100 0 0 0 0 0 0 0 0 0 PRESSAVG: 419100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419100 0 0 0 0 0 0 0 0 0 TIMING: 419100 CPU: 1669.9, 0.00396943/step Wall: 1669.9, 0.00396943/step, 0.0892019 hours remaining, 109.652344 MB of memory in use. ENERGY: 419100 654.7441 1843.8173 2015.0043 112.6016 -14.3711 -1027.1586 153.2367 0.0000 2718.5144 6456.3888 300.2675 3737.8743 6489.4218 300.0221 PRESSURE: 419200 0 0 0 0 0 0 0 0 0 GPRESSURE: 419200 0 0 0 0 0 0 0 0 0 PRESSAVG: 419200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419200 0 0 0 0 0 0 0 0 0 TIMING: 419200 CPU: 1670.3, 0.00398877/step Wall: 1670.3, 0.00398877/step, 0.0895257 hours remaining, 109.652344 MB of memory in use. ENERGY: 419200 682.5796 1891.5565 2019.6448 113.6489 -13.7236 -1068.8065 164.7270 0.0000 2684.4014 6474.0281 296.4996 3789.6267 6504.2266 300.2183 PRESSURE: 419300 0 0 0 0 0 0 0 0 0 GPRESSURE: 419300 0 0 0 0 0 0 0 0 0 PRESSAVG: 419300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419300 0 0 0 0 0 0 0 0 0 TIMING: 419300 CPU: 1670.69, 0.00397321/step Wall: 1670.69, 0.00397321/step, 0.0890661 hours remaining, 109.652344 MB of memory in use. ENERGY: 419300 649.3578 1874.3227 2029.6051 116.9166 -14.3930 -1059.8469 171.6959 0.0000 2680.0025 6447.6607 296.0137 3767.6581 6478.5239 299.5799 PRESSURE: 419400 0 0 0 0 0 0 0 0 0 GPRESSURE: 419400 0 0 0 0 0 0 0 0 0 PRESSAVG: 419400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419400 0 0 0 0 0 0 0 0 0 TIMING: 419400 CPU: 1671.09, 0.00396955/step Wall: 1671.09, 0.00396955/step, 0.0888738 hours remaining, 109.652344 MB of memory in use. ENERGY: 419400 636.9809 1972.1355 1993.6552 101.2982 -13.8223 -1083.0736 157.7245 0.0000 2709.1901 6474.0885 299.2376 3764.8984 6507.7341 299.3001 PRESSURE: 419500 0 0 0 0 0 0 0 0 0 GPRESSURE: 419500 0 0 0 0 0 0 0 0 0 PRESSAVG: 419500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419500 0 0 0 0 0 0 0 0 0 TIMING: 419500 CPU: 1671.49, 0.00400571/step Wall: 1671.49, 0.00400571/step, 0.0895722 hours remaining, 109.652344 MB of memory in use. ENERGY: 419500 652.9100 1854.4085 2006.7971 112.4408 -14.1130 -1045.3335 157.1196 0.0000 2729.9636 6454.1932 301.5321 3724.2296 6487.4311 300.1352 PRESSURE: 419600 0 0 0 0 0 0 0 0 0 GPRESSURE: 419600 0 0 0 0 0 0 0 0 0 PRESSAVG: 419600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419600 0 0 0 0 0 0 0 0 0 TIMING: 419600 CPU: 1671.89, 0.00397144/step Wall: 1671.89, 0.00397144/step, 0.0886955 hours remaining, 109.652344 MB of memory in use. ENERGY: 419600 653.6012 1886.5989 1975.4255 103.4927 -13.7515 -1051.3699 163.8200 0.0000 2765.8438 6483.6605 305.4951 3717.8168 6518.3089 299.3085 PRESSURE: 419700 0 0 0 0 0 0 0 0 0 GPRESSURE: 419700 0 0 0 0 0 0 0 0 0 PRESSAVG: 419700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419700 0 0 0 0 0 0 0 0 0 TIMING: 419700 CPU: 1672.29, 0.00398137/step Wall: 1672.29, 0.00398137/step, 0.0888067 hours remaining, 109.652344 MB of memory in use. ENERGY: 419700 666.4954 1899.5820 2011.7604 108.3638 -14.0134 -1028.5815 165.5602 0.0000 2667.0400 6476.2070 294.5820 3809.1670 6508.6774 299.0443 PRESSURE: 419800 0 0 0 0 0 0 0 0 0 GPRESSURE: 419800 0 0 0 0 0 0 0 0 0 PRESSAVG: 419800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419800 0 0 0 0 0 0 0 0 0 TIMING: 419800 CPU: 1672.68, 0.00396902/step Wall: 1672.68, 0.00396902/step, 0.0884209 hours remaining, 109.652344 MB of memory in use. ENERGY: 419800 645.7989 1866.7226 2022.7484 106.9710 -13.4677 -1012.8152 166.7518 0.0000 2695.6763 6478.3861 297.7450 3782.7098 6511.5871 299.6121 PRESSURE: 419900 0 0 0 0 0 0 0 0 0 GPRESSURE: 419900 0 0 0 0 0 0 0 0 0 PRESSAVG: 419900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 419900 0 0 0 0 0 0 0 0 0 TIMING: 419900 CPU: 1673.08, 0.00396977/step Wall: 1673.08, 0.00396977/step, 0.0883274 hours remaining, 109.652344 MB of memory in use. ENERGY: 419900 671.8448 1879.6144 1999.4704 101.9395 -14.8741 -1040.2471 156.4445 0.0000 2676.5874 6430.7798 295.6365 3754.1924 6463.6019 297.7046 PRESSURE: 420000 0 0 0 0 0 0 0 0 0 GPRESSURE: 420000 0 0 0 0 0 0 0 0 0 PRESSAVG: 420000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420000 0 0 0 0 0 0 0 0 0 TIMING: 420000 CPU: 1673.48, 0.00398356/step Wall: 1673.48, 0.00398356/step, 0.0885235 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 420000 673.8715 1887.1862 2025.1448 111.5543 -13.5709 -1077.0022 166.6742 0.0000 2687.9169 6461.7750 296.8879 3773.8580 6495.0505 298.8310 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 420000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 420000 WRITING COORDINATES TO RESTART FILE AT STEP 420000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 420000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 420100 0 0 0 0 0 0 0 0 0 GPRESSURE: 420100 0 0 0 0 0 0 0 0 0 PRESSAVG: 420100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420100 0 0 0 0 0 0 0 0 0 TIMING: 420100 CPU: 1673.91, 0.00434853/step Wall: 1673.91, 0.00434853/step, 0.0965132 hours remaining, 109.652344 MB of memory in use. ENERGY: 420100 648.5184 1902.3854 2038.0331 110.5867 -13.5285 -1086.6730 170.0869 0.0000 2692.2060 6461.6150 297.3617 3769.4090 6491.4749 299.5603 PRESSURE: 420200 0 0 0 0 0 0 0 0 0 GPRESSURE: 420200 0 0 0 0 0 0 0 0 0 PRESSAVG: 420200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420200 0 0 0 0 0 0 0 0 0 TIMING: 420200 CPU: 1674.31, 0.00398093/step Wall: 1674.31, 0.00398093/step, 0.0882439 hours remaining, 109.652344 MB of memory in use. ENERGY: 420200 646.9369 1896.7028 2031.5403 109.8469 -13.6127 -1060.1468 162.6300 0.0000 2696.3088 6470.2063 297.8148 3773.8975 6502.3610 300.2141 LDB: ============= START OF LOAD BALANCING ============== 1677.09 LDB: ============== END OF LOAD BALANCING =============== 1677.09 LDB: =============== DONE WITH MIGRATION ================ 1677.09 PRESSURE: 420300 0 0 0 0 0 0 0 0 0 GPRESSURE: 420300 0 0 0 0 0 0 0 0 0 PRESSAVG: 420300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420300 0 0 0 0 0 0 0 0 0 TIMING: 420300 CPU: 1674.71, 0.00397106/step Wall: 1674.71, 0.00397106/step, 0.0879148 hours remaining, 109.652344 MB of memory in use. ENERGY: 420300 682.5836 1859.8184 1999.3908 110.3296 -13.4103 -1038.8325 171.2287 0.0000 2665.8413 6436.9497 294.4496 3771.1083 6468.2631 298.6013 LDB: ============= START OF LOAD BALANCING ============== 1677.48 LDB: ============== END OF LOAD BALANCING =============== 1677.48 LDB: =============== DONE WITH MIGRATION ================ 1677.48 PRESSURE: 420400 0 0 0 0 0 0 0 0 0 GPRESSURE: 420400 0 0 0 0 0 0 0 0 0 PRESSAVG: 420400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420400 0 0 0 0 0 0 0 0 0 TIMING: 420400 CPU: 1675.11, 0.00397916/step Wall: 1675.11, 0.00397916/step, 0.0879837 hours remaining, 109.652344 MB of memory in use. ENERGY: 420400 673.7025 1829.1082 2019.6883 100.4408 -13.1706 -1030.5915 161.2828 0.0000 2671.1877 6411.6481 295.0401 3740.4605 6443.9327 297.2164 PRESSURE: 420500 0 0 0 0 0 0 0 0 0 GPRESSURE: 420500 0 0 0 0 0 0 0 0 0 PRESSAVG: 420500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420500 0 0 0 0 0 0 0 0 0 TIMING: 420500 CPU: 1675.5, 0.0039811/step Wall: 1675.5, 0.0039811/step, 0.0879159 hours remaining, 109.652344 MB of memory in use. ENERGY: 420500 666.0271 1901.3180 1996.5668 109.8156 -13.7058 -1067.5191 149.4655 0.0000 2689.2157 6431.1837 297.0314 3741.9680 6463.3272 294.7605 PRESSURE: 420600 0 0 0 0 0 0 0 0 0 GPRESSURE: 420600 0 0 0 0 0 0 0 0 0 PRESSAVG: 420600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420600 0 0 0 0 0 0 0 0 0 TIMING: 420600 CPU: 1675.9, 0.00397344/step Wall: 1675.9, 0.00397344/step, 0.0876364 hours remaining, 109.652344 MB of memory in use. ENERGY: 420600 684.7254 1852.3123 2009.9938 112.6435 -13.8841 -1040.9808 169.4624 0.0000 2659.5125 6433.7850 293.7506 3774.2725 6466.9825 297.7267 PRESSURE: 420700 0 0 0 0 0 0 0 0 0 GPRESSURE: 420700 0 0 0 0 0 0 0 0 0 PRESSAVG: 420700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420700 0 0 0 0 0 0 0 0 0 TIMING: 420700 CPU: 1676.3, 0.00398258/step Wall: 1676.3, 0.00398258/step, 0.0877274 hours remaining, 109.652344 MB of memory in use. ENERGY: 420700 664.9056 1925.8979 2007.3180 100.1275 -14.6625 -1100.9085 148.3761 0.0000 2682.7992 6413.8534 296.3226 3731.0542 6447.6192 297.6176 PRESSURE: 420800 0 0 0 0 0 0 0 0 0 GPRESSURE: 420800 0 0 0 0 0 0 0 0 0 PRESSAVG: 420800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420800 0 0 0 0 0 0 0 0 0 TIMING: 420800 CPU: 1676.7, 0.00396917/step Wall: 1676.7, 0.00396917/step, 0.0873217 hours remaining, 109.652344 MB of memory in use. ENERGY: 420800 650.2957 1883.3955 1989.4384 114.9256 -13.3649 -1045.9934 158.0043 0.0000 2676.6101 6413.3113 295.6390 3736.7012 6446.0264 296.9179 PRESSURE: 420900 0 0 0 0 0 0 0 0 0 GPRESSURE: 420900 0 0 0 0 0 0 0 0 0 PRESSAVG: 420900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 420900 0 0 0 0 0 0 0 0 0 TIMING: 420900 CPU: 1677.09, 0.00397/step Wall: 1677.09, 0.00397/step, 0.0872297 hours remaining, 109.652344 MB of memory in use. ENERGY: 420900 662.2459 1856.5469 1988.0654 106.0867 -14.0031 -1027.6921 163.0891 0.0000 2686.3854 6420.7243 296.7188 3734.3389 6454.6011 296.1274 PRESSURE: 421000 0 0 0 0 0 0 0 0 0 GPRESSURE: 421000 0 0 0 0 0 0 0 0 0 PRESSAVG: 421000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421000 0 0 0 0 0 0 0 0 0 TIMING: 421000 CPU: 1677.49, 0.00398248/step Wall: 1677.49, 0.00398248/step, 0.0873933 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 421000 656.0234 1875.9385 2017.0487 99.4993 -14.4799 -1030.2483 163.9510 0.0000 2635.8131 6403.5457 291.1329 3767.7326 6434.2506 297.0113 PRESSURE: 421100 0 0 0 0 0 0 0 0 0 GPRESSURE: 421100 0 0 0 0 0 0 0 0 0 PRESSAVG: 421100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421100 0 0 0 0 0 0 0 0 0 TIMING: 421100 CPU: 1677.89, 0.00397104/step Wall: 1677.89, 0.00397104/step, 0.087032 hours remaining, 109.652344 MB of memory in use. ENERGY: 421100 648.3579 1864.8398 1981.9261 98.8624 -14.0883 -1060.9078 151.7477 0.0000 2674.0251 6344.7629 295.3535 3670.7378 6377.3960 292.9837 PRESSURE: 421200 0 0 0 0 0 0 0 0 0 GPRESSURE: 421200 0 0 0 0 0 0 0 0 0 PRESSAVG: 421200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421200 0 0 0 0 0 0 0 0 0 TIMING: 421200 CPU: 1678.29, 0.00398297/step Wall: 1678.29, 0.00398297/step, 0.0871828 hours remaining, 109.652344 MB of memory in use. ENERGY: 421200 633.2021 1867.1324 1993.5470 101.0934 -13.9534 -1042.0792 160.8719 0.0000 2672.9934 6372.8075 295.2396 3699.8141 6404.4934 294.3112 PRESSURE: 421300 0 0 0 0 0 0 0 0 0 GPRESSURE: 421300 0 0 0 0 0 0 0 0 0 PRESSAVG: 421300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421300 0 0 0 0 0 0 0 0 0 TIMING: 421300 CPU: 1678.68, 0.00396972/step Wall: 1678.68, 0.00396971/step, 0.0867823 hours remaining, 109.652344 MB of memory in use. ENERGY: 421300 669.1149 1899.7709 1980.2518 116.6039 -15.1602 -1052.7201 166.1297 0.0000 2639.3719 6403.3628 291.5260 3763.9909 6436.3103 295.5455 PRESSURE: 421400 0 0 0 0 0 0 0 0 0 GPRESSURE: 421400 0 0 0 0 0 0 0 0 0 PRESSAVG: 421400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421400 0 0 0 0 0 0 0 0 0 TIMING: 421400 CPU: 1679.08, 0.00397036/step Wall: 1679.08, 0.00397037/step, 0.0866864 hours remaining, 109.652344 MB of memory in use. ENERGY: 421400 626.5733 1846.0194 1976.8975 102.8940 -14.4682 -996.9982 152.2914 0.0000 2682.4288 6375.6379 296.2817 3693.2091 6409.9099 294.9870 PRESSURE: 421500 0 0 0 0 0 0 0 0 0 GPRESSURE: 421500 0 0 0 0 0 0 0 0 0 PRESSAVG: 421500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421500 0 0 0 0 0 0 0 0 0 TIMING: 421500 CPU: 1679.48, 0.00398085/step Wall: 1679.48, 0.00398085/step, 0.0868046 hours remaining, 109.652344 MB of memory in use. ENERGY: 421500 637.6000 1905.0621 1994.6696 101.9938 -14.0018 -1036.3774 157.4028 0.0000 2633.9773 6380.3266 290.9301 3746.3492 6414.3042 295.0408 PRESSURE: 421600 0 0 0 0 0 0 0 0 0 GPRESSURE: 421600 0 0 0 0 0 0 0 0 0 PRESSAVG: 421600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421600 0 0 0 0 0 0 0 0 0 TIMING: 421600 CPU: 1679.88, 0.00397064/step Wall: 1679.88, 0.00397064/step, 0.0864717 hours remaining, 109.652344 MB of memory in use. ENERGY: 421600 650.5461 1867.0023 2014.7998 96.4040 -14.4867 -1063.4428 172.5638 0.0000 2651.3884 6374.7748 292.8532 3723.3864 6405.5138 294.3610 PRESSURE: 421700 0 0 0 0 0 0 0 0 0 GPRESSURE: 421700 0 0 0 0 0 0 0 0 0 PRESSAVG: 421700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421700 0 0 0 0 0 0 0 0 0 TIMING: 421700 CPU: 1680.27, 0.0039804/step Wall: 1680.27, 0.0039804/step, 0.0865737 hours remaining, 109.652344 MB of memory in use. ENERGY: 421700 661.1254 1907.4206 1999.7648 99.9444 -14.5925 -1063.0345 148.4531 0.0000 2673.0534 6412.1347 295.2462 3739.0814 6440.8444 294.9470 PRESSURE: 421800 0 0 0 0 0 0 0 0 0 GPRESSURE: 421800 0 0 0 0 0 0 0 0 0 PRESSAVG: 421800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421800 0 0 0 0 0 0 0 0 0 TIMING: 421800 CPU: 1680.67, 0.00397144/step Wall: 1680.67, 0.00397144/step, 0.0862685 hours remaining, 109.652344 MB of memory in use. ENERGY: 421800 642.2451 1897.1271 1986.7766 90.4077 -14.8875 -1063.4111 152.1320 0.0000 2723.4933 6413.8832 300.8174 3690.3900 6447.1379 296.4825 PRESSURE: 421900 0 0 0 0 0 0 0 0 0 GPRESSURE: 421900 0 0 0 0 0 0 0 0 0 PRESSAVG: 421900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 421900 0 0 0 0 0 0 0 0 0 TIMING: 421900 CPU: 1681.07, 0.00396996/step Wall: 1681.07, 0.00396996/step, 0.0861261 hours remaining, 109.652344 MB of memory in use. ENERGY: 421900 645.6337 1853.6302 1997.8222 102.5194 -14.4650 -1083.7415 162.5879 0.0000 2743.8409 6407.8279 303.0649 3663.9870 6441.2564 297.4752 PRESSURE: 422000 0 0 0 0 0 0 0 0 0 GPRESSURE: 422000 0 0 0 0 0 0 0 0 0 PRESSAVG: 422000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422000 0 0 0 0 0 0 0 0 0 TIMING: 422000 CPU: 1681.47, 0.0039857/step Wall: 1681.47, 0.0039857/step, 0.0863568 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 422000 650.2255 1876.7430 2009.3629 101.4049 -13.9813 -1057.0923 153.7133 0.0000 2672.3569 6392.7329 295.1693 3720.3760 6425.5676 296.7684 PRESSURE: 422100 0 0 0 0 0 0 0 0 0 GPRESSURE: 422100 0 0 0 0 0 0 0 0 0 PRESSAVG: 422100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422100 0 0 0 0 0 0 0 0 0 TIMING: 422100 CPU: 1681.86, 0.0039722/step Wall: 1681.86, 0.0039722/step, 0.085954 hours remaining, 109.652344 MB of memory in use. ENERGY: 422100 659.9307 1880.0945 1990.7598 111.7677 -14.2740 -1056.6175 166.4927 0.0000 2681.7430 6419.8968 296.2060 3738.1538 6454.5410 296.0367 PRESSURE: 422200 0 0 0 0 0 0 0 0 0 GPRESSURE: 422200 0 0 0 0 0 0 0 0 0 PRESSAVG: 422200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422200 0 0 0 0 0 0 0 0 0 TIMING: 422200 CPU: 1682.26, 0.00397513/step Wall: 1682.26, 0.00397513/step, 0.085907 hours remaining, 109.652344 MB of memory in use. ENERGY: 422200 643.0002 1909.5939 2011.7349 104.3029 -14.2912 -1043.3862 157.8005 0.0000 2652.4087 6421.1637 292.9659 3768.7550 6453.0066 296.9139 PRESSURE: 422300 0 0 0 0 0 0 0 0 0 GPRESSURE: 422300 0 0 0 0 0 0 0 0 0 PRESSAVG: 422300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422300 0 0 0 0 0 0 0 0 0 TIMING: 422300 CPU: 1682.66, 0.00397406/step Wall: 1682.66, 0.00397405/step, 0.0857732 hours remaining, 109.652344 MB of memory in use. ENERGY: 422300 622.3167 1863.4279 2009.8042 94.0924 -14.5567 -1025.7234 156.7006 0.0000 2776.4893 6482.5510 306.6710 3706.0616 6517.0284 298.9387 PRESSURE: 422400 0 0 0 0 0 0 0 0 0 GPRESSURE: 422400 0 0 0 0 0 0 0 0 0 PRESSAVG: 422400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422400 0 0 0 0 0 0 0 0 0 TIMING: 422400 CPU: 1683.06, 0.00397087/step Wall: 1683.06, 0.00397088/step, 0.0855945 hours remaining, 109.652344 MB of memory in use. ENERGY: 422400 609.9383 1912.2659 2014.1564 100.9785 -14.2321 -1061.8867 183.1973 0.0000 2730.0040 6474.4215 301.5365 3744.4175 6507.8962 300.1709 PRESSURE: 422500 0 0 0 0 0 0 0 0 0 GPRESSURE: 422500 0 0 0 0 0 0 0 0 0 PRESSAVG: 422500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422500 0 0 0 0 0 0 0 0 0 TIMING: 422500 CPU: 1683.45, 0.00398598/step Wall: 1683.45, 0.00398598/step, 0.0858093 hours remaining, 109.652344 MB of memory in use. ENERGY: 422500 641.7067 1874.2461 2007.6110 111.7786 -15.4908 -1019.0691 166.3961 0.0000 2735.7153 6502.8939 302.1674 3767.1785 6536.2789 300.0599 PRESSURE: 422600 0 0 0 0 0 0 0 0 0 GPRESSURE: 422600 0 0 0 0 0 0 0 0 0 PRESSAVG: 422600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422600 0 0 0 0 0 0 0 0 0 TIMING: 422600 CPU: 1683.85, 0.00397094/step Wall: 1683.85, 0.00397094/step, 0.0853752 hours remaining, 109.652344 MB of memory in use. ENERGY: 422600 689.8519 1881.0452 1995.6664 111.3898 -14.7780 -1074.5099 166.7012 0.0000 2729.3662 6484.7326 301.4661 3755.3665 6517.7252 300.0593 PRESSURE: 422700 0 0 0 0 0 0 0 0 0 GPRESSURE: 422700 0 0 0 0 0 0 0 0 0 PRESSAVG: 422700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422700 0 0 0 0 0 0 0 0 0 TIMING: 422700 CPU: 1684.25, 0.00397069/step Wall: 1684.25, 0.00397069/step, 0.0852595 hours remaining, 109.652344 MB of memory in use. ENERGY: 422700 652.5118 1870.6154 1990.1368 96.1662 -14.6355 -1042.4310 153.7337 0.0000 2789.0015 6495.0988 308.0530 3706.0973 6531.0594 301.5703 PRESSURE: 422800 0 0 0 0 0 0 0 0 0 GPRESSURE: 422800 0 0 0 0 0 0 0 0 0 PRESSAVG: 422800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422800 0 0 0 0 0 0 0 0 0 TIMING: 422800 CPU: 1684.65, 0.0039846/step Wall: 1684.65, 0.0039846/step, 0.0854476 hours remaining, 109.652344 MB of memory in use. ENERGY: 422800 662.2430 1862.3181 2020.0740 112.7192 -15.0328 -1008.2054 168.9176 0.0000 2712.8146 6515.8483 299.6379 3803.0337 6547.9896 301.4841 PRESSURE: 422900 0 0 0 0 0 0 0 0 0 GPRESSURE: 422900 0 0 0 0 0 0 0 0 0 PRESSAVG: 422900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 422900 0 0 0 0 0 0 0 0 0 TIMING: 422900 CPU: 1685.04, 0.00396922/step Wall: 1685.04, 0.00396922/step, 0.0850074 hours remaining, 109.652344 MB of memory in use. ENERGY: 422900 675.4678 1877.0811 2025.2365 124.8792 -15.0928 -1074.4196 171.8274 0.0000 2704.9411 6489.9207 298.7683 3784.9796 6524.0247 300.7996 PRESSURE: 423000 0 0 0 0 0 0 0 0 0 GPRESSURE: 423000 0 0 0 0 0 0 0 0 0 PRESSAVG: 423000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423000 0 0 0 0 0 0 0 0 0 TIMING: 423000 CPU: 1685.44, 0.00398512/step Wall: 1685.44, 0.00398512/step, 0.0852373 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 423000 624.6223 1935.0100 1999.3349 107.7867 -14.1721 -1057.5062 179.5925 0.0000 2748.3262 6522.9944 303.5603 3774.6682 6555.6906 301.2243 PRESSURE: 423100 0 0 0 0 0 0 0 0 0 GPRESSURE: 423100 0 0 0 0 0 0 0 0 0 PRESSAVG: 423100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423100 0 0 0 0 0 0 0 0 0 TIMING: 423100 CPU: 1685.84, 0.00397201/step Wall: 1685.84, 0.00397201/step, 0.0848466 hours remaining, 109.652344 MB of memory in use. ENERGY: 423100 619.1310 1897.6449 2057.8645 95.3106 -13.4323 -1031.3789 160.1354 0.0000 2720.7609 6506.0361 300.5156 3785.2752 6540.0009 301.3396 PRESSURE: 423200 0 0 0 0 0 0 0 0 0 GPRESSURE: 423200 0 0 0 0 0 0 0 0 0 PRESSAVG: 423200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423200 0 0 0 0 0 0 0 0 0 TIMING: 423200 CPU: 1686.24, 0.00397144/step Wall: 1686.24, 0.00397144/step, 0.084724 hours remaining, 109.652344 MB of memory in use. ENERGY: 423200 656.9196 1924.0744 1987.6893 109.6563 -14.6084 -1058.0165 169.9284 0.0000 2708.8286 6484.4716 299.1977 3775.6430 6516.5468 300.9435 PRESSURE: 423300 0 0 0 0 0 0 0 0 0 GPRESSURE: 423300 0 0 0 0 0 0 0 0 0 PRESSAVG: 423300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423300 0 0 0 0 0 0 0 0 0 TIMING: 423300 CPU: 1686.64, 0.00398153/step Wall: 1686.64, 0.00398153/step, 0.0848287 hours remaining, 109.652344 MB of memory in use. ENERGY: 423300 668.7622 1898.9690 2001.1401 117.0058 -14.7209 -1039.7251 169.6832 0.0000 2713.3505 6514.4649 299.6971 3801.1144 6545.0771 301.1044 PRESSURE: 423400 0 0 0 0 0 0 0 0 0 GPRESSURE: 423400 0 0 0 0 0 0 0 0 0 PRESSAVG: 423400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423400 0 0 0 0 0 0 0 0 0 TIMING: 423400 CPU: 1687.03, 0.00396986/step Wall: 1687.03, 0.00396986/step, 0.0844698 hours remaining, 109.652344 MB of memory in use. ENERGY: 423400 681.0682 1898.3498 2006.4242 108.6275 -14.2819 -1026.0973 166.4540 0.0000 2695.3475 6515.8920 297.7086 3820.5444 6546.7439 301.7785 PRESSURE: 423500 0 0 0 0 0 0 0 0 0 GPRESSURE: 423500 0 0 0 0 0 0 0 0 0 PRESSAVG: 423500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423500 0 0 0 0 0 0 0 0 0 TIMING: 423500 CPU: 1687.43, 0.0039835/step Wall: 1687.43, 0.0039835/step, 0.0846494 hours remaining, 109.652344 MB of memory in use. ENERGY: 423500 655.7843 1886.7117 2023.9874 114.5906 -15.3167 -1065.6305 162.2151 0.0000 2718.9653 6481.3070 300.3173 3762.3418 6513.3441 302.0328 PRESSURE: 423600 0 0 0 0 0 0 0 0 0 GPRESSURE: 423600 0 0 0 0 0 0 0 0 0 PRESSAVG: 423600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423600 0 0 0 0 0 0 0 0 0 TIMING: 423600 CPU: 1687.83, 0.00397038/step Wall: 1687.83, 0.00397037/step, 0.0842601 hours remaining, 109.652344 MB of memory in use. ENERGY: 423600 659.0123 1877.0554 2004.4244 106.2121 -13.9462 -1049.2287 164.0520 0.0000 2757.2179 6504.7992 304.5424 3747.5813 6536.4186 302.0516 PRESSURE: 423700 0 0 0 0 0 0 0 0 0 GPRESSURE: 423700 0 0 0 0 0 0 0 0 0 PRESSAVG: 423700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423700 0 0 0 0 0 0 0 0 0 TIMING: 423700 CPU: 1688.22, 0.00397006/step Wall: 1688.22, 0.00397007/step, 0.0841434 hours remaining, 109.652344 MB of memory in use. ENERGY: 423700 628.6518 1885.5226 2024.0810 104.4364 -14.5419 -1024.5426 156.8155 0.0000 2700.2119 6460.6347 298.2459 3760.4228 6493.8324 298.4100 PRESSURE: 423800 0 0 0 0 0 0 0 0 0 GPRESSURE: 423800 0 0 0 0 0 0 0 0 0 PRESSAVG: 423800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423800 0 0 0 0 0 0 0 0 0 TIMING: 423800 CPU: 1688.62, 0.00397947/step Wall: 1688.62, 0.00397947/step, 0.0842321 hours remaining, 109.652344 MB of memory in use. ENERGY: 423800 646.5741 1876.2374 2002.7911 94.5403 -15.2003 -1041.7757 158.2329 0.0000 2716.9429 6438.3426 300.0939 3721.3997 6471.8317 298.0790 PRESSURE: 423900 0 0 0 0 0 0 0 0 0 GPRESSURE: 423900 0 0 0 0 0 0 0 0 0 PRESSAVG: 423900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 423900 0 0 0 0 0 0 0 0 0 TIMING: 423900 CPU: 1689.02, 0.00396899/step Wall: 1689.02, 0.00396899/step, 0.0839 hours remaining, 109.652344 MB of memory in use. ENERGY: 423900 658.9710 1866.3021 2013.4510 101.2919 -14.1650 -1063.3975 172.7658 0.0000 2683.4744 6418.6937 296.3972 3735.2193 6448.7654 296.4184 PRESSURE: 424000 0 0 0 0 0 0 0 0 0 GPRESSURE: 424000 0 0 0 0 0 0 0 0 0 PRESSAVG: 424000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424000 0 0 0 0 0 0 0 0 0 TIMING: 424000 CPU: 1689.42, 0.00398804/step Wall: 1689.42, 0.00398804/step, 0.0841919 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 424000 700.0277 1826.0467 2023.9559 122.8179 -14.1003 -1073.7431 155.2987 0.0000 2709.1628 6449.4662 299.2346 3740.3034 6481.7244 297.4827 PRESSURE: 424100 0 0 0 0 0 0 0 0 0 GPRESSURE: 424100 0 0 0 0 0 0 0 0 0 PRESSAVG: 424100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424100 0 0 0 0 0 0 0 0 0 TIMING: 424100 CPU: 1689.82, 0.00397287/step Wall: 1689.82, 0.00397287/step, 0.0837613 hours remaining, 109.652344 MB of memory in use. ENERGY: 424100 662.0666 1901.4483 2001.8068 100.0151 -14.3196 -1021.9992 163.8727 0.0000 2692.8685 6485.7593 297.4348 3792.8907 6516.7696 299.0185 PRESSURE: 424200 0 0 0 0 0 0 0 0 0 GPRESSURE: 424200 0 0 0 0 0 0 0 0 0 PRESSAVG: 424200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424200 0 0 0 0 0 0 0 0 0 TIMING: 424200 CPU: 1690.21, 0.0039727/step Wall: 1690.21, 0.0039727/step, 0.0836474 hours remaining, 109.652344 MB of memory in use. ENERGY: 424200 692.0925 1857.9383 1998.1172 96.1873 -12.4566 -1061.1858 174.7233 0.0000 2691.4470 6436.8632 297.2778 3745.4163 6468.9184 298.0191 LDB: ============= START OF LOAD BALANCING ============== 1692.99 LDB: ============== END OF LOAD BALANCING =============== 1692.99 LDB: =============== DONE WITH MIGRATION ================ 1692.99 PRESSURE: 424300 0 0 0 0 0 0 0 0 0 GPRESSURE: 424300 0 0 0 0 0 0 0 0 0 PRESSAVG: 424300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424300 0 0 0 0 0 0 0 0 0 TIMING: 424300 CPU: 1690.61, 0.0039851/step Wall: 1690.61, 0.0039851/step, 0.0837978 hours remaining, 109.652344 MB of memory in use. ENERGY: 424300 655.7237 1852.2953 2003.6348 116.0615 -13.5591 -1079.4295 167.6323 0.0000 2717.7002 6420.0592 300.1776 3702.3589 6455.3761 296.9220 LDB: ============= START OF LOAD BALANCING ============== 1693.39 LDB: ============== END OF LOAD BALANCING =============== 1693.39 LDB: =============== DONE WITH MIGRATION ================ 1693.39 PRESSURE: 424400 0 0 0 0 0 0 0 0 0 GPRESSURE: 424400 0 0 0 0 0 0 0 0 0 PRESSAVG: 424400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424400 0 0 0 0 0 0 0 0 0 TIMING: 424400 CPU: 1691.01, 0.00397855/step Wall: 1691.01, 0.00397855/step, 0.0835495 hours remaining, 109.652344 MB of memory in use. ENERGY: 424400 653.8990 1841.6648 2015.9365 104.7048 -13.7599 -1044.1048 155.9665 0.0000 2711.5316 6425.8386 299.4962 3714.3070 6459.8860 297.1980 PRESSURE: 424500 0 0 0 0 0 0 0 0 0 GPRESSURE: 424500 0 0 0 0 0 0 0 0 0 PRESSAVG: 424500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424500 0 0 0 0 0 0 0 0 0 TIMING: 424500 CPU: 1691.41, 0.00398521/step Wall: 1691.41, 0.00398521/step, 0.0835787 hours remaining, 109.652344 MB of memory in use. ENERGY: 424500 645.2849 1790.7830 1995.0935 99.4443 -14.0016 -1047.2946 172.5738 0.0000 2771.1986 6413.0817 306.0866 3641.8832 6447.2656 296.0972 PRESSURE: 424600 0 0 0 0 0 0 0 0 0 GPRESSURE: 424600 0 0 0 0 0 0 0 0 0 PRESSAVG: 424600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424600 0 0 0 0 0 0 0 0 0 TIMING: 424600 CPU: 1691.81, 0.00398914/step Wall: 1691.81, 0.00398913/step, 0.0835501 hours remaining, 109.652344 MB of memory in use. ENERGY: 424600 635.9091 1823.0560 2017.2055 88.6559 -13.4933 -1039.8340 172.6996 0.0000 2714.4222 6398.6209 299.8155 3684.1987 6431.3230 295.6168 PRESSURE: 424700 0 0 0 0 0 0 0 0 0 GPRESSURE: 424700 0 0 0 0 0 0 0 0 0 PRESSAVG: 424700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424700 0 0 0 0 0 0 0 0 0 TIMING: 424700 CPU: 1692.2, 0.00397316/step Wall: 1692.2, 0.00397317/step, 0.0831055 hours remaining, 109.652344 MB of memory in use. ENERGY: 424700 681.7894 1818.9510 2025.9402 109.0173 -14.6204 -1015.1057 152.0507 0.0000 2640.4580 6398.4805 291.6459 3758.0225 6429.1295 295.1407 PRESSURE: 424800 0 0 0 0 0 0 0 0 0 GPRESSURE: 424800 0 0 0 0 0 0 0 0 0 PRESSAVG: 424800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424800 0 0 0 0 0 0 0 0 0 TIMING: 424800 CPU: 1692.6, 0.0039877/step Wall: 1692.6, 0.0039877/step, 0.0832986 hours remaining, 109.652344 MB of memory in use. ENERGY: 424800 632.3319 1839.2761 2034.0638 121.2833 -13.8607 -1043.9659 176.3003 0.0000 2682.2062 6427.6351 296.2571 3745.4289 6460.4588 295.7651 PRESSURE: 424900 0 0 0 0 0 0 0 0 0 GPRESSURE: 424900 0 0 0 0 0 0 0 0 0 PRESSAVG: 424900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 424900 0 0 0 0 0 0 0 0 0 TIMING: 424900 CPU: 1693, 0.00397337/step Wall: 1693, 0.00397337/step, 0.0828889 hours remaining, 109.652344 MB of memory in use. ENERGY: 424900 665.1189 1853.4243 2024.4112 97.4744 -14.0310 -1037.6963 160.1106 0.0000 2648.6832 6397.4953 292.5544 3748.8121 6432.9983 295.4571 PRESSURE: 425000 0 0 0 0 0 0 0 0 0 GPRESSURE: 425000 0 0 0 0 0 0 0 0 0 PRESSAVG: 425000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425000 0 0 0 0 0 0 0 0 0 TIMING: 425000 CPU: 1693.4, 0.0039899/step Wall: 1693.4, 0.0039899/step, 0.0831229 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 425000 657.5474 1819.6874 2025.7800 112.5460 -14.0558 -1036.8732 157.2601 0.0000 2668.2459 6390.1378 294.7152 3721.8919 6423.8617 294.8164 PRESSURE: 425100 0 0 0 0 0 0 0 0 0 GPRESSURE: 425100 0 0 0 0 0 0 0 0 0 PRESSAVG: 425100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425100 0 0 0 0 0 0 0 0 0 TIMING: 425100 CPU: 1693.8, 0.00397097/step Wall: 1693.8, 0.00397097/step, 0.0826183 hours remaining, 109.652344 MB of memory in use. ENERGY: 425100 656.0296 1821.9740 1998.7389 110.1165 -14.1871 -1039.0079 160.7774 0.0000 2643.3632 6337.8045 291.9668 3694.4413 6371.0021 292.6137 PRESSURE: 425200 0 0 0 0 0 0 0 0 0 GPRESSURE: 425200 0 0 0 0 0 0 0 0 0 PRESSAVG: 425200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425200 0 0 0 0 0 0 0 0 0 TIMING: 425200 CPU: 1694.19, 0.00396983/step Wall: 1694.19, 0.00396983/step, 0.0824842 hours remaining, 109.652344 MB of memory in use. ENERGY: 425200 645.6587 1892.3339 1991.7519 93.5029 -13.4516 -1061.1534 141.2324 0.0000 2636.9230 6326.7977 291.2555 3689.8747 6360.8234 292.8157 PRESSURE: 425300 0 0 0 0 0 0 0 0 0 GPRESSURE: 425300 0 0 0 0 0 0 0 0 0 PRESSAVG: 425300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425300 0 0 0 0 0 0 0 0 0 TIMING: 425300 CPU: 1694.59, 0.00398523/step Wall: 1694.59, 0.00398523/step, 0.0826935 hours remaining, 109.652344 MB of memory in use. ENERGY: 425300 642.9011 1828.4417 2009.5771 102.3474 -13.3894 -1060.2077 156.1016 0.0000 2638.3810 6304.1528 291.4165 3665.7718 6335.6241 290.2862 PRESSURE: 425400 0 0 0 0 0 0 0 0 0 GPRESSURE: 425400 0 0 0 0 0 0 0 0 0 PRESSAVG: 425400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425400 0 0 0 0 0 0 0 0 0 TIMING: 425400 CPU: 1694.99, 0.00397011/step Wall: 1694.99, 0.0039701/step, 0.0822693 hours remaining, 109.652344 MB of memory in use. ENERGY: 425400 652.1578 1814.9033 2010.3862 100.9029 -13.7023 -1040.5831 164.7076 0.0000 2633.9755 6322.7479 290.9299 3688.7724 6354.8330 291.6978 PRESSURE: 425500 0 0 0 0 0 0 0 0 0 GPRESSURE: 425500 0 0 0 0 0 0 0 0 0 PRESSAVG: 425500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425500 0 0 0 0 0 0 0 0 0 TIMING: 425500 CPU: 1695.39, 0.00398638/step Wall: 1695.39, 0.00398639/step, 0.0824961 hours remaining, 109.652344 MB of memory in use. ENERGY: 425500 625.6396 1848.2147 2003.2388 121.4051 -14.7107 -1058.4853 150.4513 0.0000 2648.2670 6324.0205 292.5085 3675.7535 6357.5778 292.4654 PRESSURE: 425600 0 0 0 0 0 0 0 0 0 GPRESSURE: 425600 0 0 0 0 0 0 0 0 0 PRESSAVG: 425600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425600 0 0 0 0 0 0 0 0 0 TIMING: 425600 CPU: 1695.78, 0.00397231/step Wall: 1695.78, 0.00397231/step, 0.0820944 hours remaining, 109.652344 MB of memory in use. ENERGY: 425600 652.8144 1863.2823 1988.9435 110.6179 -13.4635 -1029.2664 168.2079 0.0000 2638.0632 6379.1992 291.3814 3741.1360 6408.3680 293.3953 PRESSURE: 425700 0 0 0 0 0 0 0 0 0 GPRESSURE: 425700 0 0 0 0 0 0 0 0 0 PRESSAVG: 425700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425700 0 0 0 0 0 0 0 0 0 TIMING: 425700 CPU: 1696.18, 0.00397203/step Wall: 1696.18, 0.00397203/step, 0.0819783 hours remaining, 109.652344 MB of memory in use. ENERGY: 425700 645.1918 1852.4233 2019.3121 107.3357 -13.6239 -1012.9724 169.7981 0.0000 2619.8917 6387.3562 289.3743 3767.4646 6418.6471 294.4847 PRESSURE: 425800 0 0 0 0 0 0 0 0 0 GPRESSURE: 425800 0 0 0 0 0 0 0 0 0 PRESSAVG: 425800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425800 0 0 0 0 0 0 0 0 0 TIMING: 425800 CPU: 1696.58, 0.00398621/step Wall: 1696.58, 0.00398621/step, 0.0821602 hours remaining, 109.652344 MB of memory in use. ENERGY: 425800 666.2646 1864.2963 1982.4848 109.1753 -14.8894 -1051.9327 152.4063 0.0000 2680.4117 6388.2171 296.0589 3707.8053 6418.9317 296.2674 PRESSURE: 425900 0 0 0 0 0 0 0 0 0 GPRESSURE: 425900 0 0 0 0 0 0 0 0 0 PRESSAVG: 425900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 425900 0 0 0 0 0 0 0 0 0 TIMING: 425900 CPU: 1696.98, 0.00397175/step Wall: 1696.98, 0.00397175/step, 0.0817519 hours remaining, 109.652344 MB of memory in use. ENERGY: 425900 642.5368 1906.0221 2024.2211 107.8001 -14.0709 -1037.1430 160.8928 0.0000 2647.1000 6437.3588 292.3796 3790.2588 6467.3639 295.0089 PRESSURE: 426000 0 0 0 0 0 0 0 0 0 GPRESSURE: 426000 0 0 0 0 0 0 0 0 0 PRESSAVG: 426000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426000 0 0 0 0 0 0 0 0 0 TIMING: 426000 CPU: 1697.38, 0.00398625/step Wall: 1697.38, 0.00398625/step, 0.0819396 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 426000 580.7186 1880.1373 2016.0847 108.3938 -14.4046 -1025.1126 161.1311 0.0000 2699.9322 6406.8806 298.2150 3706.9483 6443.1441 296.0852 PRESSURE: 426100 0 0 0 0 0 0 0 0 0 GPRESSURE: 426100 0 0 0 0 0 0 0 0 0 PRESSAVG: 426100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426100 0 0 0 0 0 0 0 0 0 TIMING: 426100 CPU: 1697.77, 0.00397104/step Wall: 1697.77, 0.00397104/step, 0.0815166 hours remaining, 109.652344 MB of memory in use. ENERGY: 426100 655.2129 1867.3119 2008.7107 100.3304 -14.2680 -1021.9168 157.6986 0.0000 2647.5089 6400.5885 292.4247 3753.0797 6433.6357 295.7825 PRESSURE: 426200 0 0 0 0 0 0 0 0 0 GPRESSURE: 426200 0 0 0 0 0 0 0 0 0 PRESSAVG: 426200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426200 0 0 0 0 0 0 0 0 0 TIMING: 426200 CPU: 1698.17, 0.00396952/step Wall: 1698.17, 0.00396952/step, 0.0813751 hours remaining, 109.652344 MB of memory in use. ENERGY: 426200 684.5255 1875.5463 2013.2577 105.0821 -13.0619 -1051.8428 173.0791 0.0000 2624.6714 6411.2574 289.9023 3786.5861 6442.1235 295.8818 PRESSURE: 426300 0 0 0 0 0 0 0 0 0 GPRESSURE: 426300 0 0 0 0 0 0 0 0 0 PRESSAVG: 426300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426300 0 0 0 0 0 0 0 0 0 TIMING: 426300 CPU: 1698.57, 0.00398502/step Wall: 1698.57, 0.00398501/step, 0.081582 hours remaining, 109.652344 MB of memory in use. ENERGY: 426300 662.3684 1902.9123 2023.0448 102.8706 -13.9871 -1056.3439 162.2291 0.0000 2643.5932 6426.6875 291.9922 3783.0943 6458.1684 296.5379 PRESSURE: 426400 0 0 0 0 0 0 0 0 0 GPRESSURE: 426400 0 0 0 0 0 0 0 0 0 PRESSAVG: 426400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426400 0 0 0 0 0 0 0 0 0 TIMING: 426400 CPU: 1698.97, 0.00397361/step Wall: 1698.97, 0.00397362/step, 0.0812385 hours remaining, 109.652344 MB of memory in use. ENERGY: 426400 608.1766 1896.0078 2026.0004 89.7381 -14.1016 -1034.2738 167.9886 0.0000 2666.8995 6406.4355 294.5665 3739.5360 6438.1893 296.0032 PRESSURE: 426500 0 0 0 0 0 0 0 0 0 GPRESSURE: 426500 0 0 0 0 0 0 0 0 0 PRESSAVG: 426500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426500 0 0 0 0 0 0 0 0 0 TIMING: 426500 CPU: 1699.36, 0.00398575/step Wall: 1699.36, 0.00398575/step, 0.0813757 hours remaining, 109.652344 MB of memory in use. ENERGY: 426500 683.2747 1852.1871 2013.5110 110.0237 -13.7468 -1071.1900 175.5920 0.0000 2653.7526 6403.4041 293.1144 3749.6515 6434.1798 295.0200 PRESSURE: 426600 0 0 0 0 0 0 0 0 0 GPRESSURE: 426600 0 0 0 0 0 0 0 0 0 PRESSAVG: 426600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426600 0 0 0 0 0 0 0 0 0 TIMING: 426600 CPU: 1699.76, 0.00397043/step Wall: 1699.76, 0.00397042/step, 0.0809525 hours remaining, 109.652344 MB of memory in use. ENERGY: 426600 646.5782 1883.8623 1999.6615 112.4863 -14.0855 -1028.7679 153.8418 0.0000 2688.3847 6441.9616 296.9396 3753.5769 6473.7911 297.3017 PRESSURE: 426700 0 0 0 0 0 0 0 0 0 GPRESSURE: 426700 0 0 0 0 0 0 0 0 0 PRESSAVG: 426700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426700 0 0 0 0 0 0 0 0 0 TIMING: 426700 CPU: 1700.16, 0.00397099/step Wall: 1700.16, 0.003971/step, 0.080854 hours remaining, 109.652344 MB of memory in use. ENERGY: 426700 659.0164 1870.6157 2023.9285 106.7052 -14.0089 -1087.7733 177.9901 0.0000 2704.2740 6440.7476 298.6946 3736.4737 6472.4425 299.3097 PRESSURE: 426800 0 0 0 0 0 0 0 0 0 GPRESSURE: 426800 0 0 0 0 0 0 0 0 0 PRESSAVG: 426800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426800 0 0 0 0 0 0 0 0 0 TIMING: 426800 CPU: 1700.56, 0.00398702/step Wall: 1700.56, 0.00398702/step, 0.0810694 hours remaining, 109.652344 MB of memory in use. ENERGY: 426800 645.1281 1853.8082 2005.6107 107.1585 -13.7167 -1052.5492 164.1625 0.0000 2711.9621 6421.5641 299.5438 3709.6020 6456.5365 296.6942 PRESSURE: 426900 0 0 0 0 0 0 0 0 0 GPRESSURE: 426900 0 0 0 0 0 0 0 0 0 PRESSAVG: 426900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 426900 0 0 0 0 0 0 0 0 0 TIMING: 426900 CPU: 1700.95, 0.00396921/step Wall: 1700.95, 0.00396921/step, 0.080597 hours remaining, 109.652344 MB of memory in use. ENERGY: 426900 658.6725 1856.8647 2011.3997 107.3402 -14.1511 -1023.0554 150.3974 0.0000 2670.4104 6417.8783 294.9543 3747.4679 6448.2256 296.0247 PRESSURE: 427000 0 0 0 0 0 0 0 0 0 GPRESSURE: 427000 0 0 0 0 0 0 0 0 0 PRESSAVG: 427000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427000 0 0 0 0 0 0 0 0 0 TIMING: 427000 CPU: 1701.35, 0.00398394/step Wall: 1701.35, 0.00398394/step, 0.0807855 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 427000 652.7030 1905.0323 2014.5215 98.4756 -13.4038 -1055.0479 167.4737 0.0000 2658.3821 6428.1364 293.6257 3769.7543 6459.0010 296.4004 PRESSURE: 427100 0 0 0 0 0 0 0 0 0 GPRESSURE: 427100 0 0 0 0 0 0 0 0 0 PRESSAVG: 427100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427100 0 0 0 0 0 0 0 0 0 TIMING: 427100 CPU: 1701.75, 0.00397194/step Wall: 1701.75, 0.00397194/step, 0.0804318 hours remaining, 109.652344 MB of memory in use. ENERGY: 427100 659.3425 1874.7493 2020.3215 107.2441 -12.9508 -1036.6946 177.0693 0.0000 2634.7206 6423.8019 291.0122 3789.0813 6459.0060 296.1197 PRESSURE: 427200 0 0 0 0 0 0 0 0 0 GPRESSURE: 427200 0 0 0 0 0 0 0 0 0 PRESSAVG: 427200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427200 0 0 0 0 0 0 0 0 0 TIMING: 427200 CPU: 1702.15, 0.00397053/step Wall: 1702.15, 0.00397053/step, 0.0802929 hours remaining, 109.652344 MB of memory in use. ENERGY: 427200 662.3729 1860.0570 2009.1790 103.0228 -14.8892 -1053.0721 157.2461 0.0000 2684.9970 6408.9134 296.5654 3723.9164 6441.6405 297.3228 PRESSURE: 427300 0 0 0 0 0 0 0 0 0 GPRESSURE: 427300 0 0 0 0 0 0 0 0 0 PRESSAVG: 427300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427300 0 0 0 0 0 0 0 0 0 TIMING: 427300 CPU: 1702.55, 0.00398397/step Wall: 1702.55, 0.00398397/step, 0.0804541 hours remaining, 109.652344 MB of memory in use. ENERGY: 427300 644.6101 1861.8823 2007.5325 96.5219 -14.3472 -1036.6359 142.5738 0.0000 2727.9019 6430.0395 301.3044 3702.1376 6463.3992 297.0240 PRESSURE: 427400 0 0 0 0 0 0 0 0 0 GPRESSURE: 427400 0 0 0 0 0 0 0 0 0 PRESSAVG: 427400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427400 0 0 0 0 0 0 0 0 0 TIMING: 427400 CPU: 1702.94, 0.00396957/step Wall: 1702.94, 0.00396957/step, 0.080053 hours remaining, 109.652344 MB of memory in use. ENERGY: 427400 625.2105 1906.2042 2033.5029 89.0780 -14.3885 -1072.0966 173.0098 0.0000 2687.6729 6428.1932 296.8610 3740.5203 6463.1955 296.9528 PRESSURE: 427500 0 0 0 0 0 0 0 0 0 GPRESSURE: 427500 0 0 0 0 0 0 0 0 0 PRESSAVG: 427500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427500 0 0 0 0 0 0 0 0 0 TIMING: 427500 CPU: 1703.34, 0.00398555/step Wall: 1703.34, 0.00398555/step, 0.0802645 hours remaining, 109.652344 MB of memory in use. ENERGY: 427500 645.5495 1823.3528 2001.9367 107.0466 -15.0238 -1032.0393 157.0351 0.0000 2729.5046 6417.3622 301.4814 3687.8575 6455.3645 297.9717 PRESSURE: 427600 0 0 0 0 0 0 0 0 0 GPRESSURE: 427600 0 0 0 0 0 0 0 0 0 PRESSAVG: 427600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427600 0 0 0 0 0 0 0 0 0 TIMING: 427600 CPU: 1703.74, 0.00396883/step Wall: 1703.74, 0.00396883/step, 0.0798176 hours remaining, 109.652344 MB of memory in use. ENERGY: 427600 651.2028 1900.8272 2009.8410 111.1323 -14.6175 -1032.9202 155.5997 0.0000 2690.9315 6471.9968 297.2209 3781.0653 6501.9867 297.6542 PRESSURE: 427700 0 0 0 0 0 0 0 0 0 GPRESSURE: 427700 0 0 0 0 0 0 0 0 0 PRESSAVG: 427700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427700 0 0 0 0 0 0 0 0 0 TIMING: 427700 CPU: 1704.14, 0.00396955/step Wall: 1704.14, 0.00396955/step, 0.0797218 hours remaining, 109.652344 MB of memory in use. ENERGY: 427700 685.8932 1901.2838 2009.9044 97.6306 -14.4778 -1066.8717 174.6657 0.0000 2681.9426 6469.9709 296.2280 3788.0282 6501.9403 299.0179 PRESSURE: 427800 0 0 0 0 0 0 0 0 0 GPRESSURE: 427800 0 0 0 0 0 0 0 0 0 PRESSAVG: 427800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427800 0 0 0 0 0 0 0 0 0 TIMING: 427800 CPU: 1704.53, 0.0039851/step Wall: 1704.53, 0.0039851/step, 0.0799234 hours remaining, 109.652344 MB of memory in use. ENERGY: 427800 686.4726 1929.0904 1993.9789 87.4165 -14.3412 -1048.4925 163.1489 0.0000 2724.6607 6521.9343 300.9464 3797.2736 6554.0401 300.8978 PRESSURE: 427900 0 0 0 0 0 0 0 0 0 GPRESSURE: 427900 0 0 0 0 0 0 0 0 0 PRESSAVG: 427900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 427900 0 0 0 0 0 0 0 0 0 TIMING: 427900 CPU: 1704.93, 0.00397133/step Wall: 1704.93, 0.00397133/step, 0.0795369 hours remaining, 109.652344 MB of memory in use. ENERGY: 427900 668.9647 1879.9599 2019.5075 111.3646 -14.4296 -1044.1544 166.9217 0.0000 2745.3235 6533.4579 303.2286 3788.1343 6568.3805 301.3735 PRESSURE: 428000 0 0 0 0 0 0 0 0 0 GPRESSURE: 428000 0 0 0 0 0 0 0 0 0 PRESSAVG: 428000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428000 0 0 0 0 0 0 0 0 0 TIMING: 428000 CPU: 1705.33, 0.00398429/step Wall: 1705.33, 0.00398429/step, 0.0796858 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 428000 692.2030 1900.8842 2001.4782 112.7828 -15.7916 -1074.7407 173.3955 0.0000 2703.2746 6493.4860 298.5842 3790.2114 6525.2125 303.0185 PRESSURE: 428100 0 0 0 0 0 0 0 0 0 GPRESSURE: 428100 0 0 0 0 0 0 0 0 0 PRESSAVG: 428100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428100 0 0 0 0 0 0 0 0 0 TIMING: 428100 CPU: 1705.73, 0.0039701/step Wall: 1705.73, 0.0039701/step, 0.0792917 hours remaining, 109.652344 MB of memory in use. ENERGY: 428100 673.1908 1857.5880 1993.4896 123.1969 -14.9702 -1064.3067 153.0170 0.0000 2725.3895 6446.5949 301.0269 3721.2054 6481.4472 299.3297 PRESSURE: 428200 0 0 0 0 0 0 0 0 0 GPRESSURE: 428200 0 0 0 0 0 0 0 0 0 PRESSAVG: 428200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428200 0 0 0 0 0 0 0 0 0 TIMING: 428200 CPU: 1706.12, 0.00397131/step Wall: 1706.12, 0.00397131/step, 0.0792056 hours remaining, 109.652344 MB of memory in use. ENERGY: 428200 650.3571 1839.8959 2012.4630 99.2346 -15.0241 -1045.5945 163.6978 0.0000 2702.3291 6407.3589 298.4798 3705.0298 6442.4520 297.1138 LDB: ============= START OF LOAD BALANCING ============== 1708.9 LDB: ============== END OF LOAD BALANCING =============== 1708.9 LDB: =============== DONE WITH MIGRATION ================ 1708.9 PRESSURE: 428300 0 0 0 0 0 0 0 0 0 GPRESSURE: 428300 0 0 0 0 0 0 0 0 0 PRESSAVG: 428300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428300 0 0 0 0 0 0 0 0 0 TIMING: 428300 CPU: 1706.52, 0.00398502/step Wall: 1706.52, 0.00398502/step, 0.0793683 hours remaining, 109.652344 MB of memory in use. ENERGY: 428300 640.8526 1888.4037 2006.4021 100.4859 -14.8488 -1045.0194 163.2139 0.0000 2646.3905 6385.8805 292.3012 3739.4900 6417.2072 294.5793 LDB: ============= START OF LOAD BALANCING ============== 1709.3 LDB: ============== END OF LOAD BALANCING =============== 1709.3 LDB: =============== DONE WITH MIGRATION ================ 1709.3 PRESSURE: 428400 0 0 0 0 0 0 0 0 0 GPRESSURE: 428400 0 0 0 0 0 0 0 0 0 PRESSAVG: 428400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428400 0 0 0 0 0 0 0 0 0 TIMING: 428400 CPU: 1706.92, 0.00397958/step Wall: 1706.92, 0.00397958/step, 0.0791494 hours remaining, 109.652344 MB of memory in use. ENERGY: 428400 667.6664 1842.5856 2015.3143 105.4110 -13.6797 -1037.4491 156.6510 0.0000 2687.2745 6423.7739 296.8170 3736.4995 6457.8708 295.6345 PRESSURE: 428500 0 0 0 0 0 0 0 0 0 GPRESSURE: 428500 0 0 0 0 0 0 0 0 0 PRESSAVG: 428500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428500 0 0 0 0 0 0 0 0 0 TIMING: 428500 CPU: 1707.32, 0.00398686/step Wall: 1707.32, 0.00398686/step, 0.0791835 hours remaining, 109.652344 MB of memory in use. ENERGY: 428500 640.8191 1897.1335 2004.5659 106.1702 -14.4025 -1053.0728 162.5842 0.0000 2675.4630 6419.2606 295.5123 3743.7976 6449.5193 297.4129 PRESSURE: 428600 0 0 0 0 0 0 0 0 0 GPRESSURE: 428600 0 0 0 0 0 0 0 0 0 PRESSAVG: 428600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428600 0 0 0 0 0 0 0 0 0 TIMING: 428600 CPU: 1707.72, 0.00396984/step Wall: 1707.72, 0.00396984/step, 0.0787351 hours remaining, 109.652344 MB of memory in use. ENERGY: 428600 690.4369 1891.5669 2007.1732 99.0693 -15.2185 -1073.1732 157.0465 0.0000 2669.5809 6426.4819 294.8626 3756.9010 6460.1973 296.0446 PRESSURE: 428700 0 0 0 0 0 0 0 0 0 GPRESSURE: 428700 0 0 0 0 0 0 0 0 0 PRESSAVG: 428700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428700 0 0 0 0 0 0 0 0 0 TIMING: 428700 CPU: 1708.11, 0.00397191/step Wall: 1708.11, 0.00397191/step, 0.0786659 hours remaining, 109.652344 MB of memory in use. ENERGY: 428700 629.0999 1870.9331 2008.6571 105.2934 -14.3374 -1050.1867 175.2454 0.0000 2712.5376 6437.2425 299.6073 3724.7049 6471.3841 298.5615 PRESSURE: 428800 0 0 0 0 0 0 0 0 0 GPRESSURE: 428800 0 0 0 0 0 0 0 0 0 PRESSAVG: 428800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428800 0 0 0 0 0 0 0 0 0 TIMING: 428800 CPU: 1708.51, 0.00398554/step Wall: 1708.51, 0.00398554/step, 0.0788251 hours remaining, 109.652344 MB of memory in use. ENERGY: 428800 659.3376 1884.8754 2028.6855 102.6529 -14.1755 -1068.1192 164.6984 0.0000 2690.3282 6448.2834 297.1542 3757.9551 6478.7590 297.1245 PRESSURE: 428900 0 0 0 0 0 0 0 0 0 GPRESSURE: 428900 0 0 0 0 0 0 0 0 0 PRESSAVG: 428900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 428900 0 0 0 0 0 0 0 0 0 TIMING: 428900 CPU: 1708.91, 0.00397303/step Wall: 1708.91, 0.00397303/step, 0.0784673 hours remaining, 109.652344 MB of memory in use. ENERGY: 428900 646.3879 1848.9550 2032.5317 112.6838 -14.2521 -1044.3088 156.0893 0.0000 2713.5239 6451.6108 299.7163 3738.0869 6484.9662 297.8463 PRESSURE: 429000 0 0 0 0 0 0 0 0 0 GPRESSURE: 429000 0 0 0 0 0 0 0 0 0 PRESSAVG: 429000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429000 0 0 0 0 0 0 0 0 0 TIMING: 429000 CPU: 1709.31, 0.00397543/step Wall: 1709.31, 0.00397543/step, 0.0784043 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 429000 676.9759 1876.1769 2004.6812 99.5759 -14.8253 -1021.6853 162.5303 0.0000 2684.7575 6468.1870 296.5389 3783.4295 6498.4909 299.1478 PRESSURE: 429100 0 0 0 0 0 0 0 0 0 GPRESSURE: 429100 0 0 0 0 0 0 0 0 0 PRESSAVG: 429100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429100 0 0 0 0 0 0 0 0 0 TIMING: 429100 CPU: 1709.7, 0.0039778/step Wall: 1709.7, 0.0039778/step, 0.0783406 hours remaining, 109.652344 MB of memory in use. ENERGY: 429100 630.6555 1916.6528 2010.2479 105.2066 -13.9303 -1001.2978 163.9858 0.0000 2671.2576 6482.7781 295.0478 3811.5205 6513.1017 300.0982 PRESSURE: 429200 0 0 0 0 0 0 0 0 0 GPRESSURE: 429200 0 0 0 0 0 0 0 0 0 PRESSAVG: 429200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429200 0 0 0 0 0 0 0 0 0 TIMING: 429200 CPU: 1710.1, 0.00397142/step Wall: 1710.1, 0.00397142/step, 0.0781046 hours remaining, 109.652344 MB of memory in use. ENERGY: 429200 673.1280 1952.4569 2016.5856 104.3647 -12.9648 -1065.5012 165.9313 0.0000 2663.0983 6497.0988 294.1466 3834.0005 6530.0486 299.5253 PRESSURE: 429300 0 0 0 0 0 0 0 0 0 GPRESSURE: 429300 0 0 0 0 0 0 0 0 0 PRESSAVG: 429300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429300 0 0 0 0 0 0 0 0 0 TIMING: 429300 CPU: 1710.5, 0.00400008/step Wall: 1710.5, 0.00400008/step, 0.0785571 hours remaining, 109.652344 MB of memory in use. ENERGY: 429300 675.7602 1888.3970 2031.2382 105.1739 -13.8514 -1086.3086 151.2648 0.0000 2745.2204 6496.8945 303.2172 3751.6741 6531.7087 301.0257 PRESSURE: 429400 0 0 0 0 0 0 0 0 0 GPRESSURE: 429400 0 0 0 0 0 0 0 0 0 PRESSAVG: 429400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429400 0 0 0 0 0 0 0 0 0 TIMING: 429400 CPU: 1710.9, 0.00397051/step Wall: 1710.9, 0.00397051/step, 0.0778661 hours remaining, 109.652344 MB of memory in use. ENERGY: 429400 653.4482 1931.9620 2032.1514 98.5739 -13.9760 -1055.1852 166.5097 0.0000 2638.1190 6451.6031 291.3876 3813.4840 6484.0625 299.6869 PRESSURE: 429500 0 0 0 0 0 0 0 0 0 GPRESSURE: 429500 0 0 0 0 0 0 0 0 0 PRESSAVG: 429500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429500 0 0 0 0 0 0 0 0 0 TIMING: 429500 CPU: 1711.3, 0.00397413/step Wall: 1711.3, 0.00397413/step, 0.0778267 hours remaining, 109.652344 MB of memory in use. ENERGY: 429500 683.6263 1918.0014 2005.9240 110.2982 -14.4891 -1092.3897 163.5227 0.0000 2718.6525 6493.1464 300.2827 3774.4939 6525.5403 299.4160 PRESSURE: 429600 0 0 0 0 0 0 0 0 0 GPRESSURE: 429600 0 0 0 0 0 0 0 0 0 PRESSAVG: 429600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429600 0 0 0 0 0 0 0 0 0 TIMING: 429600 CPU: 1711.69, 0.00397941/step Wall: 1711.69, 0.00397941/step, 0.0778195 hours remaining, 109.652344 MB of memory in use. ENERGY: 429600 654.6387 1875.7499 2006.0861 113.7480 -15.1020 -1078.7811 154.7272 0.0000 2743.8440 6454.9108 303.0652 3711.0668 6487.7727 301.6561 PRESSURE: 429700 0 0 0 0 0 0 0 0 0 GPRESSURE: 429700 0 0 0 0 0 0 0 0 0 PRESSAVG: 429700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429700 0 0 0 0 0 0 0 0 0 TIMING: 429700 CPU: 1712.09, 0.00397157/step Wall: 1712.09, 0.00397156/step, 0.0775557 hours remaining, 109.652344 MB of memory in use. ENERGY: 429700 656.3103 1867.7015 2021.8334 104.0770 -14.3398 -1062.0578 160.4978 0.0000 2742.4150 6476.4375 302.9074 3734.0225 6510.6835 299.3046 PRESSURE: 429800 0 0 0 0 0 0 0 0 0 GPRESSURE: 429800 0 0 0 0 0 0 0 0 0 PRESSAVG: 429800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429800 0 0 0 0 0 0 0 0 0 TIMING: 429800 CPU: 1712.49, 0.00398303/step Wall: 1712.49, 0.00398304/step, 0.0776693 hours remaining, 109.652344 MB of memory in use. ENERGY: 429800 639.1771 1873.2193 1998.2189 104.5046 -13.8753 -1028.9786 166.6336 0.0000 2742.2526 6481.1522 302.8894 3738.8996 6515.3411 300.6230 PRESSURE: 429900 0 0 0 0 0 0 0 0 0 GPRESSURE: 429900 0 0 0 0 0 0 0 0 0 PRESSAVG: 429900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 429900 0 0 0 0 0 0 0 0 0 TIMING: 429900 CPU: 1712.89, 0.00397234/step Wall: 1712.89, 0.00397234/step, 0.0773503 hours remaining, 109.652344 MB of memory in use. ENERGY: 429900 685.6875 1932.7638 2028.4067 102.9648 -13.7131 -1081.1312 155.5407 0.0000 2675.7472 6486.2663 295.5437 3810.5192 6517.4870 299.1817 PRESSURE: 430000 0 0 0 0 0 0 0 0 0 GPRESSURE: 430000 0 0 0 0 0 0 0 0 0 PRESSAVG: 430000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430000 0 0 0 0 0 0 0 0 0 TIMING: 430000 CPU: 1713.28, 0.00397633/step Wall: 1713.28, 0.00397633/step, 0.0773175 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 430000 649.0004 1916.6284 2016.9785 94.2043 -13.5478 -1040.4667 156.8085 0.0000 2716.6023 6496.2079 300.0563 3779.6056 6528.1742 301.8472 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 430000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 430000 WRITING COORDINATES TO RESTART FILE AT STEP 430000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 430000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 430100 0 0 0 0 0 0 0 0 0 GPRESSURE: 430100 0 0 0 0 0 0 0 0 0 PRESSAVG: 430100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430100 0 0 0 0 0 0 0 0 0 TIMING: 430100 CPU: 1713.73, 0.00448525/step Wall: 1713.73, 0.00448525/step, 0.0870886 hours remaining, 109.652344 MB of memory in use. ENERGY: 430100 656.6016 1929.6903 2000.5653 100.2045 -12.7847 -1069.6830 178.6063 0.0000 2715.4481 6498.6485 299.9288 3783.2004 6531.2386 301.4712 PRESSURE: 430200 0 0 0 0 0 0 0 0 0 GPRESSURE: 430200 0 0 0 0 0 0 0 0 0 PRESSAVG: 430200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430200 0 0 0 0 0 0 0 0 0 TIMING: 430200 CPU: 1714.13, 0.00397276/step Wall: 1714.13, 0.00397276/step, 0.0770274 hours remaining, 109.652344 MB of memory in use. ENERGY: 430200 648.0866 1893.8770 2007.1067 115.0024 -14.2334 -1034.1989 156.7807 0.0000 2719.1518 6491.5728 300.3379 3772.4211 6525.3976 301.3242 PRESSURE: 430300 0 0 0 0 0 0 0 0 0 GPRESSURE: 430300 0 0 0 0 0 0 0 0 0 PRESSAVG: 430300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430300 0 0 0 0 0 0 0 0 0 TIMING: 430300 CPU: 1714.53, 0.00398178/step Wall: 1714.53, 0.00398178/step, 0.0770917 hours remaining, 109.652344 MB of memory in use. ENERGY: 430300 639.7594 1899.0075 2005.0454 85.5916 -13.7170 -1042.7666 154.0984 0.0000 2761.7650 6488.7837 305.0446 3727.0187 6522.8960 301.3757 PRESSURE: 430400 0 0 0 0 0 0 0 0 0 GPRESSURE: 430400 0 0 0 0 0 0 0 0 0 PRESSAVG: 430400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430400 0 0 0 0 0 0 0 0 0 TIMING: 430400 CPU: 1714.92, 0.00397129/step Wall: 1714.92, 0.00397129/step, 0.0767783 hours remaining, 109.652344 MB of memory in use. ENERGY: 430400 647.8549 1934.4808 1985.9079 96.5577 -14.3263 -1076.7176 163.7045 0.0000 2730.8444 6468.3063 301.6294 3737.4620 6499.8143 300.5455 PRESSURE: 430500 0 0 0 0 0 0 0 0 0 GPRESSURE: 430500 0 0 0 0 0 0 0 0 0 PRESSAVG: 430500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430500 0 0 0 0 0 0 0 0 0 TIMING: 430500 CPU: 1715.32, 0.00397094/step Wall: 1715.32, 0.00397094/step, 0.0766612 hours remaining, 109.652344 MB of memory in use. ENERGY: 430500 663.2054 1862.0481 2026.2517 93.5225 -14.3324 -1046.1050 167.4450 0.0000 2693.3455 6445.3808 297.4875 3752.0352 6480.4988 299.0394 PRESSURE: 430600 0 0 0 0 0 0 0 0 0 GPRESSURE: 430600 0 0 0 0 0 0 0 0 0 PRESSAVG: 430600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430600 0 0 0 0 0 0 0 0 0 TIMING: 430600 CPU: 1715.72, 0.00398216/step Wall: 1715.72, 0.00398216/step, 0.0767672 hours remaining, 109.652344 MB of memory in use. ENERGY: 430600 619.6849 1860.2808 1992.3168 104.6133 -14.2355 -1013.1605 166.9293 0.0000 2689.6296 6406.0587 297.0771 3716.4292 6439.8944 297.9869 PRESSURE: 430700 0 0 0 0 0 0 0 0 0 GPRESSURE: 430700 0 0 0 0 0 0 0 0 0 PRESSAVG: 430700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430700 0 0 0 0 0 0 0 0 0 TIMING: 430700 CPU: 1716.12, 0.00396972/step Wall: 1716.12, 0.00396972/step, 0.0764171 hours remaining, 109.652344 MB of memory in use. ENERGY: 430700 628.6893 1954.9468 1980.3914 99.6450 -14.8238 -1049.0867 161.5573 0.0000 2660.6224 6421.9418 293.8732 3761.3194 6451.8968 296.0943 PRESSURE: 430800 0 0 0 0 0 0 0 0 0 GPRESSURE: 430800 0 0 0 0 0 0 0 0 0 PRESSAVG: 430800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430800 0 0 0 0 0 0 0 0 0 TIMING: 430800 CPU: 1716.52, 0.00398356/step Wall: 1716.52, 0.00398356/step, 0.0765729 hours remaining, 109.652344 MB of memory in use. ENERGY: 430800 652.7278 1837.3116 2010.8613 107.6861 -15.5427 -1058.5894 162.6691 0.0000 2709.5754 6406.6992 299.2801 3697.1239 6439.5047 296.5754 PRESSURE: 430900 0 0 0 0 0 0 0 0 0 GPRESSURE: 430900 0 0 0 0 0 0 0 0 0 PRESSAVG: 430900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 430900 0 0 0 0 0 0 0 0 0 TIMING: 430900 CPU: 1716.91, 0.00397024/step Wall: 1716.91, 0.00397024/step, 0.0762066 hours remaining, 109.652344 MB of memory in use. ENERGY: 430900 660.5762 1920.4802 1992.0850 104.9813 -14.6903 -1076.6847 167.3825 0.0000 2684.3195 6438.4497 296.4906 3754.1302 6470.2976 297.7440 PRESSURE: 431000 0 0 0 0 0 0 0 0 0 GPRESSURE: 431000 0 0 0 0 0 0 0 0 0 PRESSAVG: 431000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431000 0 0 0 0 0 0 0 0 0 TIMING: 431000 CPU: 1717.31, 0.00397394/step Wall: 1717.31, 0.00397394/step, 0.0761672 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 431000 653.3813 1921.9396 1998.2090 106.3493 -14.4641 -1073.6468 164.0587 0.0000 2667.6853 6423.5122 294.6533 3755.8269 6455.2479 297.4632 PRESSURE: 431100 0 0 0 0 0 0 0 0 0 GPRESSURE: 431100 0 0 0 0 0 0 0 0 0 PRESSAVG: 431100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431100 0 0 0 0 0 0 0 0 0 TIMING: 431100 CPU: 1717.71, 0.0039836/step Wall: 1717.71, 0.0039836/step, 0.0762417 hours remaining, 109.652344 MB of memory in use. ENERGY: 431100 664.6940 1820.5011 1997.8221 107.2477 -14.5589 -989.3826 156.9071 0.0000 2689.6025 6432.8331 297.0741 3743.2306 6465.3418 296.5657 PRESSURE: 431200 0 0 0 0 0 0 0 0 0 GPRESSURE: 431200 0 0 0 0 0 0 0 0 0 PRESSAVG: 431200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431200 0 0 0 0 0 0 0 0 0 TIMING: 431200 CPU: 1718.11, 0.00396899/step Wall: 1718.11, 0.00396898/step, 0.0758516 hours remaining, 109.652344 MB of memory in use. ENERGY: 431200 613.3312 1885.9618 2007.3244 108.3304 -13.5143 -1058.9680 173.1427 0.0000 2695.3070 6410.9152 297.7042 3715.6082 6444.0649 296.8949 PRESSURE: 431300 0 0 0 0 0 0 0 0 0 GPRESSURE: 431300 0 0 0 0 0 0 0 0 0 PRESSAVG: 431300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431300 0 0 0 0 0 0 0 0 0 TIMING: 431300 CPU: 1718.5, 0.00398494/step Wall: 1718.5, 0.00398495/step, 0.0760461 hours remaining, 109.652344 MB of memory in use. ENERGY: 431300 686.1112 1842.5704 1998.4391 109.1163 -14.4174 -1037.8754 166.1347 0.0000 2693.0030 6443.0819 297.4497 3750.0789 6475.5755 299.2896 PRESSURE: 431400 0 0 0 0 0 0 0 0 0 GPRESSURE: 431400 0 0 0 0 0 0 0 0 0 PRESSAVG: 431400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431400 0 0 0 0 0 0 0 0 0 TIMING: 431400 CPU: 1718.9, 0.00397047/step Wall: 1718.9, 0.00397047/step, 0.0756595 hours remaining, 109.652344 MB of memory in use. ENERGY: 431400 628.3930 1892.8228 1993.5440 99.4768 -14.4820 -1058.3802 167.9917 0.0000 2726.3493 6435.7154 301.1329 3709.3661 6467.0203 298.4193 PRESSURE: 431500 0 0 0 0 0 0 0 0 0 GPRESSURE: 431500 0 0 0 0 0 0 0 0 0 PRESSAVG: 431500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431500 0 0 0 0 0 0 0 0 0 TIMING: 431500 CPU: 1719.3, 0.00397231/step Wall: 1719.3, 0.00397231/step, 0.0755842 hours remaining, 109.652344 MB of memory in use. ENERGY: 431500 656.7936 1897.5676 2021.9680 111.6885 -13.8228 -1049.1527 164.8568 0.0000 2667.5293 6457.4281 294.6360 3789.8989 6488.0124 298.3517 PRESSURE: 431600 0 0 0 0 0 0 0 0 0 GPRESSURE: 431600 0 0 0 0 0 0 0 0 0 PRESSAVG: 431600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431600 0 0 0 0 0 0 0 0 0 TIMING: 431600 CPU: 1719.7, 0.00398449/step Wall: 1719.7, 0.00398449/step, 0.0757053 hours remaining, 109.652344 MB of memory in use. ENERGY: 431600 621.2730 1823.1095 2005.3342 104.5210 -14.2436 -1048.4934 177.4987 0.0000 2764.1839 6433.1834 305.3118 3668.9995 6468.4921 296.9180 PRESSURE: 431700 0 0 0 0 0 0 0 0 0 GPRESSURE: 431700 0 0 0 0 0 0 0 0 0 PRESSAVG: 431700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431700 0 0 0 0 0 0 0 0 0 TIMING: 431700 CPU: 1720.09, 0.00397058/step Wall: 1720.09, 0.00397058/step, 0.0753307 hours remaining, 109.652344 MB of memory in use. ENERGY: 431700 653.5011 1832.8817 2029.7875 95.4641 -13.4397 -1031.0108 163.1714 0.0000 2705.1423 6435.4977 298.7905 3730.3553 6468.9256 298.0274 PRESSURE: 431800 0 0 0 0 0 0 0 0 0 GPRESSURE: 431800 0 0 0 0 0 0 0 0 0 PRESSAVG: 431800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431800 0 0 0 0 0 0 0 0 0 TIMING: 431800 CPU: 1720.49, 0.00398884/step Wall: 1720.49, 0.00398883/step, 0.0755662 hours remaining, 109.652344 MB of memory in use. ENERGY: 431800 693.2990 1888.3334 2010.4616 95.2400 -14.4340 -1068.6490 161.7746 0.0000 2708.3541 6474.3796 299.1453 3766.0255 6508.6707 297.4484 PRESSURE: 431900 0 0 0 0 0 0 0 0 0 GPRESSURE: 431900 0 0 0 0 0 0 0 0 0 PRESSAVG: 431900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 431900 0 0 0 0 0 0 0 0 0 TIMING: 431900 CPU: 1720.89, 0.00396802/step Wall: 1720.89, 0.00396803/step, 0.0750619 hours remaining, 109.652344 MB of memory in use. ENERGY: 431900 662.4502 1902.8104 1987.8347 108.7482 -14.4840 -1036.7523 171.6306 0.0000 2738.8536 6521.0914 302.5140 3782.2378 6553.5881 302.2264 PRESSURE: 432000 0 0 0 0 0 0 0 0 0 GPRESSURE: 432000 0 0 0 0 0 0 0 0 0 PRESSAVG: 432000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432000 0 0 0 0 0 0 0 0 0 TIMING: 432000 CPU: 1721.29, 0.00396868/step Wall: 1721.29, 0.00396868/step, 0.074964 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 432000 676.7648 1880.1152 2019.4941 110.1902 -14.5469 -1068.4577 186.1752 0.0000 2700.3755 6490.1106 298.2640 3789.7351 6522.5620 301.9842 PRESSURE: 432100 0 0 0 0 0 0 0 0 0 GPRESSURE: 432100 0 0 0 0 0 0 0 0 0 PRESSAVG: 432100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432100 0 0 0 0 0 0 0 0 0 TIMING: 432100 CPU: 1721.68, 0.0039819/step Wall: 1721.68, 0.0039819/step, 0.0751031 hours remaining, 109.652344 MB of memory in use. ENERGY: 432100 692.6641 1901.2546 1972.1264 107.8521 -14.8102 -1058.6729 163.4340 0.0000 2730.7993 6494.6474 301.6244 3763.8481 6529.3026 301.5468 PRESSURE: 432200 0 0 0 0 0 0 0 0 0 GPRESSURE: 432200 0 0 0 0 0 0 0 0 0 PRESSAVG: 432200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432200 0 0 0 0 0 0 0 0 0 TIMING: 432200 CPU: 1722.08, 0.00397003/step Wall: 1722.08, 0.00397003/step, 0.0747689 hours remaining, 109.652344 MB of memory in use. ENERGY: 432200 669.7748 1886.1324 2006.9837 116.8506 -14.8162 -1021.9432 162.1991 0.0000 2723.3196 6528.5007 300.7982 3805.1811 6559.7961 302.6740 LDB: ============= START OF LOAD BALANCING ============== 1724.86 LDB: ============== END OF LOAD BALANCING =============== 1724.86 LDB: =============== DONE WITH MIGRATION ================ 1724.86 PRESSURE: 432300 0 0 0 0 0 0 0 0 0 GPRESSURE: 432300 0 0 0 0 0 0 0 0 0 PRESSAVG: 432300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432300 0 0 0 0 0 0 0 0 0 TIMING: 432300 CPU: 1722.48, 0.00399007/step Wall: 1722.48, 0.00399007/step, 0.0750355 hours remaining, 109.652344 MB of memory in use. ENERGY: 432300 667.8327 1881.7164 2000.5080 112.4130 -13.8329 -1029.2676 168.3870 0.0000 2740.3304 6528.0870 302.6771 3787.7565 6560.6458 301.9464 LDB: ============= START OF LOAD BALANCING ============== 1725.26 LDB: ============== END OF LOAD BALANCING =============== 1725.26 LDB: =============== DONE WITH MIGRATION ================ 1725.26 PRESSURE: 432400 0 0 0 0 0 0 0 0 0 GPRESSURE: 432400 0 0 0 0 0 0 0 0 0 PRESSAVG: 432400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432400 0 0 0 0 0 0 0 0 0 TIMING: 432400 CPU: 1722.88, 0.00397746/step Wall: 1722.88, 0.00397746/step, 0.0746879 hours remaining, 109.652344 MB of memory in use. ENERGY: 432400 681.0859 1883.1272 2028.8502 91.5214 -14.1388 -1063.5490 179.9395 0.0000 2712.1078 6498.9442 299.5599 3786.8363 6532.3701 302.3847 PRESSURE: 432500 0 0 0 0 0 0 0 0 0 GPRESSURE: 432500 0 0 0 0 0 0 0 0 0 PRESSAVG: 432500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432500 0 0 0 0 0 0 0 0 0 TIMING: 432500 CPU: 1723.27, 0.00397065/step Wall: 1723.27, 0.00397065/step, 0.0744497 hours remaining, 109.652344 MB of memory in use. ENERGY: 432500 656.3203 1908.3985 1992.1885 109.3902 -13.6447 -1039.2294 160.5233 0.0000 2751.4552 6525.4020 303.9059 3773.9467 6559.9301 300.8881 PRESSURE: 432600 0 0 0 0 0 0 0 0 0 GPRESSURE: 432600 0 0 0 0 0 0 0 0 0 PRESSAVG: 432600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432600 0 0 0 0 0 0 0 0 0 TIMING: 432600 CPU: 1723.67, 0.00398378/step Wall: 1723.67, 0.00398378/step, 0.0745852 hours remaining, 109.652344 MB of memory in use. ENERGY: 432600 670.8768 1871.0259 2033.0741 105.4320 -13.3572 -1043.0085 175.1575 0.0000 2726.6146 6525.8153 301.1622 3799.2006 6560.6723 302.3251 PRESSURE: 432700 0 0 0 0 0 0 0 0 0 GPRESSURE: 432700 0 0 0 0 0 0 0 0 0 PRESSAVG: 432700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432700 0 0 0 0 0 0 0 0 0 TIMING: 432700 CPU: 1724.07, 0.00397085/step Wall: 1724.07, 0.00397085/step, 0.0742328 hours remaining, 109.652344 MB of memory in use. ENERGY: 432700 724.0891 1835.0759 2017.2896 95.2838 -14.5338 -1019.9449 149.6075 0.0000 2725.3298 6512.1970 301.0203 3786.8672 6546.4556 301.6815 PRESSURE: 432800 0 0 0 0 0 0 0 0 0 GPRESSURE: 432800 0 0 0 0 0 0 0 0 0 PRESSAVG: 432800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432800 0 0 0 0 0 0 0 0 0 TIMING: 432800 CPU: 1724.47, 0.0039836/step Wall: 1724.47, 0.0039836/step, 0.0743605 hours remaining, 109.652344 MB of memory in use. ENERGY: 432800 656.4497 1878.0554 2011.3021 105.2213 -13.5802 -1050.5963 169.5928 0.0000 2773.0876 6529.5324 306.2953 3756.4448 6562.2142 302.1999 PRESSURE: 432900 0 0 0 0 0 0 0 0 0 GPRESSURE: 432900 0 0 0 0 0 0 0 0 0 PRESSAVG: 432900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 432900 0 0 0 0 0 0 0 0 0 TIMING: 432900 CPU: 1724.87, 0.00397082/step Wall: 1724.87, 0.00397082/step, 0.0740116 hours remaining, 109.652344 MB of memory in use. ENERGY: 432900 658.0490 1859.2905 2013.7162 115.4633 -14.5804 -1035.2333 175.5656 0.0000 2773.9992 6546.2702 306.3959 3772.2710 6579.1236 302.6552 PRESSURE: 433000 0 0 0 0 0 0 0 0 0 GPRESSURE: 433000 0 0 0 0 0 0 0 0 0 PRESSAVG: 433000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433000 0 0 0 0 0 0 0 0 0 TIMING: 433000 CPU: 1725.26, 0.00397041/step Wall: 1725.26, 0.00397041/step, 0.0738938 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 433000 660.1408 1887.2708 1995.0461 108.8083 -15.5830 -1002.2751 167.9437 0.0000 2721.9841 6523.3357 300.6507 3801.3516 6552.9865 302.6078 PRESSURE: 433100 0 0 0 0 0 0 0 0 0 GPRESSURE: 433100 0 0 0 0 0 0 0 0 0 PRESSAVG: 433100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433100 0 0 0 0 0 0 0 0 0 TIMING: 433100 CPU: 1725.66, 0.00398295/step Wall: 1725.66, 0.00398295/step, 0.0740165 hours remaining, 109.652344 MB of memory in use. ENERGY: 433100 674.8376 1903.0418 2023.9344 109.6666 -15.2201 -1028.0310 166.5099 0.0000 2661.8546 6496.5938 294.0093 3834.7392 6529.1901 301.0910 PRESSURE: 433200 0 0 0 0 0 0 0 0 0 GPRESSURE: 433200 0 0 0 0 0 0 0 0 0 PRESSAVG: 433200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433200 0 0 0 0 0 0 0 0 0 TIMING: 433200 CPU: 1726.06, 0.00396939/step Wall: 1726.06, 0.00396939/step, 0.0736542 hours remaining, 109.652344 MB of memory in use. ENERGY: 433200 648.5650 1836.5202 2015.2483 106.2382 -14.2573 -1042.1203 169.3506 0.0000 2764.7406 6484.2852 305.3733 3719.5446 6519.5710 300.7280 PRESSURE: 433300 0 0 0 0 0 0 0 0 0 GPRESSURE: 433300 0 0 0 0 0 0 0 0 0 PRESSAVG: 433300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433300 0 0 0 0 0 0 0 0 0 TIMING: 433300 CPU: 1726.46, 0.00398558/step Wall: 1726.46, 0.00398558/step, 0.073844 hours remaining, 109.652344 MB of memory in use. ENERGY: 433300 704.8072 1874.0657 2017.2528 112.4631 -14.6735 -1053.4882 150.8764 0.0000 2719.2812 6510.5847 300.3522 3791.3035 6542.6825 300.7903 PRESSURE: 433400 0 0 0 0 0 0 0 0 0 GPRESSURE: 433400 0 0 0 0 0 0 0 0 0 PRESSAVG: 433400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433400 0 0 0 0 0 0 0 0 0 TIMING: 433400 CPU: 1726.85, 0.00397023/step Wall: 1726.85, 0.00397023/step, 0.0734492 hours remaining, 109.652344 MB of memory in use. ENERGY: 433400 671.0320 1856.7983 2016.4905 104.9240 -14.5084 -1037.7841 165.2598 0.0000 2695.6166 6457.8287 297.7384 3762.2121 6492.4135 299.0737 PRESSURE: 433500 0 0 0 0 0 0 0 0 0 GPRESSURE: 433500 0 0 0 0 0 0 0 0 0 PRESSAVG: 433500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433500 0 0 0 0 0 0 0 0 0 TIMING: 433500 CPU: 1727.25, 0.00397059/step Wall: 1727.25, 0.00397059/step, 0.0733456 hours remaining, 109.652344 MB of memory in use. ENERGY: 433500 661.6182 1843.1370 2021.0056 113.1883 -14.6341 -1043.0507 162.4866 0.0000 2715.9767 6459.7276 299.9872 3743.7508 6493.6915 298.9397 PRESSURE: 433600 0 0 0 0 0 0 0 0 0 GPRESSURE: 433600 0 0 0 0 0 0 0 0 0 PRESSAVG: 433600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433600 0 0 0 0 0 0 0 0 0 TIMING: 433600 CPU: 1727.65, 0.00398591/step Wall: 1727.65, 0.00398591/step, 0.0735179 hours remaining, 109.652344 MB of memory in use. ENERGY: 433600 644.4530 1848.4893 2005.5216 102.1119 -15.1575 -1074.7467 166.7023 0.0000 2711.4823 6388.8562 299.4908 3677.3739 6424.0190 295.5176 PRESSURE: 433700 0 0 0 0 0 0 0 0 0 GPRESSURE: 433700 0 0 0 0 0 0 0 0 0 PRESSAVG: 433700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433700 0 0 0 0 0 0 0 0 0 TIMING: 433700 CPU: 1728.05, 0.0039708/step Wall: 1728.05, 0.0039708/step, 0.0731289 hours remaining, 109.652344 MB of memory in use. ENERGY: 433700 682.9195 1887.5942 1985.0716 104.0058 -15.1928 -1040.9763 155.5880 0.0000 2641.7653 6400.7754 291.7903 3759.0101 6433.1471 295.6972 PRESSURE: 433800 0 0 0 0 0 0 0 0 0 GPRESSURE: 433800 0 0 0 0 0 0 0 0 0 PRESSAVG: 433800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433800 0 0 0 0 0 0 0 0 0 TIMING: 433800 CPU: 1728.44, 0.00398512/step Wall: 1728.44, 0.00398512/step, 0.073282 hours remaining, 109.652344 MB of memory in use. ENERGY: 433800 691.5498 1873.5993 1974.6523 95.4428 -15.1744 -1081.8682 156.9052 0.0000 2693.9966 6389.1034 297.5594 3695.1069 6424.9302 295.8398 PRESSURE: 433900 0 0 0 0 0 0 0 0 0 GPRESSURE: 433900 0 0 0 0 0 0 0 0 0 PRESSAVG: 433900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 433900 0 0 0 0 0 0 0 0 0 TIMING: 433900 CPU: 1728.84, 0.00396897/step Wall: 1728.84, 0.00396897/step, 0.0728747 hours remaining, 109.652344 MB of memory in use. ENERGY: 433900 639.8114 1872.9109 2005.1372 116.2309 -13.9980 -1033.9364 156.9431 0.0000 2676.1311 6419.2301 295.5861 3743.0990 6453.0040 295.5832 PRESSURE: 434000 0 0 0 0 0 0 0 0 0 GPRESSURE: 434000 0 0 0 0 0 0 0 0 0 PRESSAVG: 434000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434000 0 0 0 0 0 0 0 0 0 TIMING: 434000 CPU: 1729.24, 0.00397272/step Wall: 1729.24, 0.00397272/step, 0.0728332 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 434000 624.1429 1876.2132 1987.8731 107.8152 -15.0462 -1037.5833 175.4634 0.0000 2695.0458 6413.9241 297.6753 3718.8783 6445.9841 296.8707 PRESSURE: 434100 0 0 0 0 0 0 0 0 0 GPRESSURE: 434100 0 0 0 0 0 0 0 0 0 PRESSAVG: 434100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434100 0 0 0 0 0 0 0 0 0 TIMING: 434100 CPU: 1729.64, 0.00398445/step Wall: 1729.64, 0.00398445/step, 0.0729376 hours remaining, 109.652344 MB of memory in use. ENERGY: 434100 661.7813 1831.4089 2015.1651 91.9389 -13.9379 -1036.0813 170.9027 0.0000 2700.8655 6422.0430 298.3181 3721.1776 6455.7379 296.1306 PRESSURE: 434200 0 0 0 0 0 0 0 0 0 GPRESSURE: 434200 0 0 0 0 0 0 0 0 0 PRESSAVG: 434200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434200 0 0 0 0 0 0 0 0 0 TIMING: 434200 CPU: 1730.03, 0.00396826/step Wall: 1730.03, 0.00396825/step, 0.0725308 hours remaining, 109.652344 MB of memory in use. ENERGY: 434200 641.5410 1879.4132 1973.8776 96.5144 -13.8888 -1039.7938 170.4195 0.0000 2714.9560 6423.0392 299.8745 3708.0832 6455.6637 298.6798 PRESSURE: 434300 0 0 0 0 0 0 0 0 0 GPRESSURE: 434300 0 0 0 0 0 0 0 0 0 PRESSAVG: 434300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434300 0 0 0 0 0 0 0 0 0 TIMING: 434300 CPU: 1730.43, 0.00398487/step Wall: 1730.43, 0.00398488/step, 0.0727241 hours remaining, 109.652344 MB of memory in use. ENERGY: 434300 620.4351 1852.9598 1999.9691 104.7351 -14.5189 -1018.0395 173.8797 0.0000 2680.1322 6399.5526 296.0281 3719.4204 6432.5568 295.8313 PRESSURE: 434400 0 0 0 0 0 0 0 0 0 GPRESSURE: 434400 0 0 0 0 0 0 0 0 0 PRESSAVG: 434400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434400 0 0 0 0 0 0 0 0 0 TIMING: 434400 CPU: 1730.83, 0.00396894/step Wall: 1730.83, 0.00396894/step, 0.0723229 hours remaining, 109.652344 MB of memory in use. ENERGY: 434400 660.2431 1857.3991 2005.6043 109.1488 -13.9811 -1055.9415 171.7800 0.0000 2679.4906 6413.7434 295.9572 3734.2527 6444.8559 295.4126 PRESSURE: 434500 0 0 0 0 0 0 0 0 0 GPRESSURE: 434500 0 0 0 0 0 0 0 0 0 PRESSAVG: 434500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434500 0 0 0 0 0 0 0 0 0 TIMING: 434500 CPU: 1731.23, 0.00397167/step Wall: 1731.23, 0.00397167/step, 0.0722623 hours remaining, 109.652344 MB of memory in use. ENERGY: 434500 673.1057 1895.8999 1992.2014 105.2264 -15.3209 -1054.7794 164.5136 0.0000 2720.3390 6481.1857 300.4690 3760.8467 6514.3108 297.2944 PRESSURE: 434600 0 0 0 0 0 0 0 0 0 GPRESSURE: 434600 0 0 0 0 0 0 0 0 0 PRESSAVG: 434600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434600 0 0 0 0 0 0 0 0 0 TIMING: 434600 CPU: 1731.63, 0.00398224/step Wall: 1731.63, 0.00398224/step, 0.072344 hours remaining, 109.652344 MB of memory in use. ENERGY: 434600 639.0417 1860.5249 2009.8176 98.8203 -14.5166 -1033.7420 160.4262 0.0000 2731.3015 6451.6735 301.6799 3720.3720 6487.2625 299.0565 PRESSURE: 434700 0 0 0 0 0 0 0 0 0 GPRESSURE: 434700 0 0 0 0 0 0 0 0 0 PRESSAVG: 434700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434700 0 0 0 0 0 0 0 0 0 TIMING: 434700 CPU: 1732.02, 0.00397107/step Wall: 1732.02, 0.00397107/step, 0.0720308 hours remaining, 109.652344 MB of memory in use. ENERGY: 434700 643.7040 1842.7885 2016.7990 112.5509 -14.8845 -1057.3744 151.6387 0.0000 2737.3286 6432.5510 302.3456 3695.2224 6466.7914 298.6711 PRESSURE: 434800 0 0 0 0 0 0 0 0 0 GPRESSURE: 434800 0 0 0 0 0 0 0 0 0 PRESSAVG: 434800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434800 0 0 0 0 0 0 0 0 0 TIMING: 434800 CPU: 1732.42, 0.00398439/step Wall: 1732.42, 0.00398439/step, 0.0721617 hours remaining, 109.652344 MB of memory in use. ENERGY: 434800 672.0499 1860.1239 2005.7451 100.0857 -14.0580 -1052.1012 167.7202 0.0000 2730.9232 6470.4887 301.6381 3739.5656 6505.0444 297.6657 PRESSURE: 434900 0 0 0 0 0 0 0 0 0 GPRESSURE: 434900 0 0 0 0 0 0 0 0 0 PRESSAVG: 434900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 434900 0 0 0 0 0 0 0 0 0 TIMING: 434900 CPU: 1732.82, 0.00397098/step Wall: 1732.82, 0.00397098/step, 0.0718086 hours remaining, 109.652344 MB of memory in use. ENERGY: 434900 676.3840 1882.5711 2019.7246 92.4135 -13.7303 -1077.6785 168.7100 0.0000 2732.6366 6481.0310 301.8273 3748.3945 6518.4229 298.9499 PRESSURE: 435000 0 0 0 0 0 0 0 0 0 GPRESSURE: 435000 0 0 0 0 0 0 0 0 0 PRESSAVG: 435000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435000 0 0 0 0 0 0 0 0 0 TIMING: 435000 CPU: 1733.21, 0.00397067/step Wall: 1733.21, 0.00397067/step, 0.0716927 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 435000 663.8684 1922.4978 2011.5371 107.4127 -14.0723 -1063.9639 146.6686 0.0000 2740.8517 6514.8002 302.7347 3773.9485 6544.4698 301.7246 PRESSURE: 435100 0 0 0 0 0 0 0 0 0 GPRESSURE: 435100 0 0 0 0 0 0 0 0 0 PRESSAVG: 435100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435100 0 0 0 0 0 0 0 0 0 TIMING: 435100 CPU: 1733.61, 0.00398654/step Wall: 1733.61, 0.00398654/step, 0.0718685 hours remaining, 109.652344 MB of memory in use. ENERGY: 435100 660.6380 1875.8416 2021.1382 111.1278 -13.1492 -1043.6440 161.0748 0.0000 2719.0502 6492.0774 300.3267 3773.0273 6527.0575 301.1707 PRESSURE: 435200 0 0 0 0 0 0 0 0 0 GPRESSURE: 435200 0 0 0 0 0 0 0 0 0 PRESSAVG: 435200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435200 0 0 0 0 0 0 0 0 0 TIMING: 435200 CPU: 1734.01, 0.00396885/step Wall: 1734.01, 0.00396885/step, 0.0714393 hours remaining, 109.652344 MB of memory in use. ENERGY: 435200 649.4494 1906.1081 2029.6445 104.7037 -13.0032 -1037.6606 162.1988 0.0000 2725.5094 6526.9501 301.0401 3801.4407 6558.3266 301.0235 PRESSURE: 435300 0 0 0 0 0 0 0 0 0 GPRESSURE: 435300 0 0 0 0 0 0 0 0 0 PRESSAVG: 435300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435300 0 0 0 0 0 0 0 0 0 TIMING: 435300 CPU: 1734.41, 0.00398272/step Wall: 1734.41, 0.00398271/step, 0.0715782 hours remaining, 109.652344 MB of memory in use. ENERGY: 435300 667.8231 1901.4501 2018.2072 96.6463 -13.2972 -1022.1520 148.2595 0.0000 2757.4781 6554.4150 304.5711 3796.9369 6588.8056 303.3328 PRESSURE: 435400 0 0 0 0 0 0 0 0 0 GPRESSURE: 435400 0 0 0 0 0 0 0 0 0 PRESSAVG: 435400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435400 0 0 0 0 0 0 0 0 0 TIMING: 435400 CPU: 1734.81, 0.00397125/step Wall: 1734.81, 0.00397126/step, 0.071262 hours remaining, 109.652344 MB of memory in use. ENERGY: 435400 656.1145 1950.6687 2044.7731 99.2895 -13.5824 -1054.7806 153.5988 0.0000 2684.3687 6520.4503 296.4960 3836.0816 6552.7650 303.6258 PRESSURE: 435500 0 0 0 0 0 0 0 0 0 GPRESSURE: 435500 0 0 0 0 0 0 0 0 0 PRESSAVG: 435500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435500 0 0 0 0 0 0 0 0 0 TIMING: 435500 CPU: 1735.2, 0.00396983/step Wall: 1735.2, 0.00396982/step, 0.0711259 hours remaining, 109.652344 MB of memory in use. ENERGY: 435500 652.1911 1909.8655 1984.0647 102.4327 -12.9431 -1043.1056 175.5466 0.0000 2700.2048 6468.2566 298.2451 3768.0518 6500.5177 299.5017 PRESSURE: 435600 0 0 0 0 0 0 0 0 0 GPRESSURE: 435600 0 0 0 0 0 0 0 0 0 PRESSAVG: 435600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435600 0 0 0 0 0 0 0 0 0 TIMING: 435600 CPU: 1735.6, 0.00398688/step Wall: 1735.6, 0.00398689/step, 0.071321 hours remaining, 109.652344 MB of memory in use. ENERGY: 435600 654.1053 1884.7909 1987.3790 109.0747 -14.8339 -1050.5632 168.7222 0.0000 2715.2335 6453.9084 299.9051 3738.6749 6486.3523 298.9115 PRESSURE: 435700 0 0 0 0 0 0 0 0 0 GPRESSURE: 435700 0 0 0 0 0 0 0 0 0 PRESSAVG: 435700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435700 0 0 0 0 0 0 0 0 0 TIMING: 435700 CPU: 1736, 0.00397168/step Wall: 1736, 0.00397168/step, 0.0709386 hours remaining, 109.652344 MB of memory in use. ENERGY: 435700 636.0767 1900.3945 1996.4949 101.1054 -13.8420 -1055.5137 157.2678 0.0000 2718.8872 6440.8708 300.3087 3721.9836 6474.0244 297.5741 PRESSURE: 435800 0 0 0 0 0 0 0 0 0 GPRESSURE: 435800 0 0 0 0 0 0 0 0 0 PRESSAVG: 435800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435800 0 0 0 0 0 0 0 0 0 TIMING: 435800 CPU: 1736.4, 0.00398424/step Wall: 1736.4, 0.00398423/step, 0.0710521 hours remaining, 109.652344 MB of memory in use. ENERGY: 435800 670.4718 1854.9299 1980.4346 104.2964 -13.0699 -1032.4876 168.6284 0.0000 2704.5259 6437.7295 298.7224 3733.2037 6469.6034 299.1385 PRESSURE: 435900 0 0 0 0 0 0 0 0 0 GPRESSURE: 435900 0 0 0 0 0 0 0 0 0 PRESSAVG: 435900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 435900 0 0 0 0 0 0 0 0 0 TIMING: 435900 CPU: 1736.79, 0.00397235/step Wall: 1736.79, 0.00397236/step, 0.0707301 hours remaining, 109.652344 MB of memory in use. ENERGY: 435900 672.1898 1888.6226 2003.2188 102.6250 -12.9867 -1048.9494 167.8798 0.0000 2651.8376 6424.4374 292.9028 3772.5998 6455.3647 297.3233 PRESSURE: 436000 0 0 0 0 0 0 0 0 0 GPRESSURE: 436000 0 0 0 0 0 0 0 0 0 PRESSAVG: 436000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436000 0 0 0 0 0 0 0 0 0 TIMING: 436000 CPU: 1737.19, 0.00397109/step Wall: 1737.19, 0.00397109/step, 0.0705972 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 436000 695.9976 1910.5605 2005.8196 95.7011 -13.2014 -1077.9084 164.6769 0.0000 2658.6431 6440.2891 293.6545 3781.6460 6470.6133 296.4338 PRESSURE: 436100 0 0 0 0 0 0 0 0 0 GPRESSURE: 436100 0 0 0 0 0 0 0 0 0 PRESSAVG: 436100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436100 0 0 0 0 0 0 0 0 0 TIMING: 436100 CPU: 1737.59, 0.00398533/step Wall: 1737.59, 0.00398533/step, 0.0707396 hours remaining, 109.652344 MB of memory in use. ENERGY: 436100 658.0111 1810.1805 2016.6926 108.9238 -12.8563 -1038.6867 153.6349 0.0000 2713.7503 6409.6502 299.7413 3695.9000 6443.2229 296.6995 PRESSURE: 436200 0 0 0 0 0 0 0 0 0 GPRESSURE: 436200 0 0 0 0 0 0 0 0 0 PRESSAVG: 436200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436200 0 0 0 0 0 0 0 0 0 TIMING: 436200 CPU: 1737.99, 0.00397161/step Wall: 1737.99, 0.00397161/step, 0.0703858 hours remaining, 109.652344 MB of memory in use. ENERGY: 436200 639.7886 1934.2409 2003.7181 102.6923 -13.4262 -1032.7480 165.2241 0.0000 2637.4168 6436.9066 291.3100 3799.4898 6470.5455 296.7301 LDB: ============= START OF LOAD BALANCING ============== 1740.76 LDB: ============== END OF LOAD BALANCING =============== 1740.76 LDB: =============== DONE WITH MIGRATION ================ 1740.76 PRESSURE: 436300 0 0 0 0 0 0 0 0 0 GPRESSURE: 436300 0 0 0 0 0 0 0 0 0 PRESSAVG: 436300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436300 0 0 0 0 0 0 0 0 0 TIMING: 436300 CPU: 1738.39, 0.00398735/step Wall: 1738.39, 0.00398735/step, 0.070554 hours remaining, 109.652344 MB of memory in use. ENERGY: 436300 669.2582 1878.6329 2025.3314 108.9591 -13.6240 -1051.8960 171.4924 0.0000 2680.3191 6468.4732 296.0487 3788.1542 6497.8289 298.4501 LDB: ============= START OF LOAD BALANCING ============== 1741.16 LDB: ============== END OF LOAD BALANCING =============== 1741.16 LDB: =============== DONE WITH MIGRATION ================ 1741.16 PRESSURE: 436400 0 0 0 0 0 0 0 0 0 GPRESSURE: 436400 0 0 0 0 0 0 0 0 0 PRESSAVG: 436400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436400 0 0 0 0 0 0 0 0 0 TIMING: 436400 CPU: 1738.78, 0.0039802/step Wall: 1738.78, 0.0039802/step, 0.0703169 hours remaining, 109.652344 MB of memory in use. ENERGY: 436400 667.6003 1881.3628 2026.4612 107.4608 -14.3135 -1020.1972 149.3765 0.0000 2659.1755 6456.9263 293.7133 3797.7508 6490.4144 298.9504 PRESSURE: 436500 0 0 0 0 0 0 0 0 0 GPRESSURE: 436500 0 0 0 0 0 0 0 0 0 PRESSAVG: 436500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436500 0 0 0 0 0 0 0 0 0 TIMING: 436500 CPU: 1739.18, 0.00397054/step Wall: 1739.18, 0.00397054/step, 0.0700359 hours remaining, 109.652344 MB of memory in use. ENERGY: 436500 688.9452 1856.5684 2017.6300 99.7488 -14.5458 -1063.2316 153.6136 0.0000 2680.4022 6419.1308 296.0579 3738.7286 6450.1229 296.8424 PRESSURE: 436600 0 0 0 0 0 0 0 0 0 GPRESSURE: 436600 0 0 0 0 0 0 0 0 0 PRESSAVG: 436600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436600 0 0 0 0 0 0 0 0 0 TIMING: 436600 CPU: 1739.58, 0.00398489/step Wall: 1739.58, 0.00398489/step, 0.0701783 hours remaining, 109.652344 MB of memory in use. ENERGY: 436600 659.8405 1883.4703 1999.1489 104.7212 -14.1348 -1035.1339 172.2902 0.0000 2665.1144 6435.3167 294.3693 3770.2023 6467.1225 295.6119 PRESSURE: 436700 0 0 0 0 0 0 0 0 0 GPRESSURE: 436700 0 0 0 0 0 0 0 0 0 PRESSAVG: 436700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436700 0 0 0 0 0 0 0 0 0 TIMING: 436700 CPU: 1739.98, 0.00397101/step Wall: 1739.98, 0.00397101/step, 0.0698236 hours remaining, 109.652344 MB of memory in use. ENERGY: 436700 638.1798 1864.4284 2021.2337 108.6677 -14.4871 -1008.9959 169.0841 0.0000 2645.2570 6423.3677 292.1760 3778.1107 6453.8493 297.7172 PRESSURE: 436800 0 0 0 0 0 0 0 0 0 GPRESSURE: 436800 0 0 0 0 0 0 0 0 0 PRESSAVG: 436800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436800 0 0 0 0 0 0 0 0 0 TIMING: 436800 CPU: 1740.37, 0.00398285/step Wall: 1740.37, 0.00398285/step, 0.0699211 hours remaining, 109.652344 MB of memory in use. ENERGY: 436800 657.7925 1871.5033 2029.0406 119.5895 -14.0897 -1076.6459 172.8666 0.0000 2717.9723 6478.0291 300.2076 3760.0568 6509.8765 298.1482 PRESSURE: 436900 0 0 0 0 0 0 0 0 0 GPRESSURE: 436900 0 0 0 0 0 0 0 0 0 PRESSAVG: 436900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 436900 0 0 0 0 0 0 0 0 0 TIMING: 436900 CPU: 1740.77, 0.0039735/step Wall: 1740.77, 0.0039735/step, 0.0696466 hours remaining, 109.652344 MB of memory in use. ENERGY: 436900 659.3646 1905.8838 2002.9342 110.5686 -13.2787 -1082.9880 172.7539 0.0000 2751.5646 6506.8030 303.9180 3755.2384 6539.3185 302.4381 PRESSURE: 437000 0 0 0 0 0 0 0 0 0 GPRESSURE: 437000 0 0 0 0 0 0 0 0 0 PRESSAVG: 437000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437000 0 0 0 0 0 0 0 0 0 TIMING: 437000 CPU: 1741.17, 0.0039706/step Wall: 1741.17, 0.00397059/step, 0.0694853 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 437000 657.2818 1861.3300 1989.3251 112.3086 -13.8105 -1051.1525 167.2138 0.0000 2755.4658 6477.9620 304.3489 3722.4962 6512.7770 300.1904 PRESSURE: 437100 0 0 0 0 0 0 0 0 0 GPRESSURE: 437100 0 0 0 0 0 0 0 0 0 PRESSAVG: 437100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437100 0 0 0 0 0 0 0 0 0 TIMING: 437100 CPU: 1741.57, 0.00398288/step Wall: 1741.57, 0.00398289/step, 0.0695899 hours remaining, 109.652344 MB of memory in use. ENERGY: 437100 689.2750 1850.0463 2008.8835 105.4483 -13.7969 -1059.9690 167.3416 0.0000 2725.8847 6473.1135 301.0816 3747.2289 6503.3591 300.2163 PRESSURE: 437200 0 0 0 0 0 0 0 0 0 GPRESSURE: 437200 0 0 0 0 0 0 0 0 0 PRESSAVG: 437200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437200 0 0 0 0 0 0 0 0 0 TIMING: 437200 CPU: 1741.96, 0.00397233/step Wall: 1741.96, 0.00397233/step, 0.0692951 hours remaining, 109.652344 MB of memory in use. ENERGY: 437200 635.6988 1898.0901 2010.4120 98.8893 -14.1438 -1049.7502 176.4826 0.0000 2710.5079 6466.1867 299.3831 3755.6789 6500.4746 299.8136 PRESSURE: 437300 0 0 0 0 0 0 0 0 0 GPRESSURE: 437300 0 0 0 0 0 0 0 0 0 PRESSAVG: 437300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437300 0 0 0 0 0 0 0 0 0 TIMING: 437300 CPU: 1742.36, 0.00397207/step Wall: 1742.36, 0.00397207/step, 0.0691802 hours remaining, 109.652344 MB of memory in use. ENERGY: 437300 671.4451 1839.6258 2002.8568 114.8751 -13.8176 -1036.8473 167.5480 0.0000 2741.9500 6487.6358 302.8560 3745.6858 6520.2814 301.7217 PRESSURE: 437400 0 0 0 0 0 0 0 0 0 GPRESSURE: 437400 0 0 0 0 0 0 0 0 0 PRESSAVG: 437400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437400 0 0 0 0 0 0 0 0 0 TIMING: 437400 CPU: 1742.76, 0.00398395/step Wall: 1742.76, 0.00398395/step, 0.0692765 hours remaining, 109.652344 MB of memory in use. ENERGY: 437400 616.2777 1925.4312 1997.8755 109.6529 -13.6833 -1051.1156 186.7827 0.0000 2716.8521 6488.0731 300.0839 3771.2211 6519.8867 300.6297 PRESSURE: 437500 0 0 0 0 0 0 0 0 0 GPRESSURE: 437500 0 0 0 0 0 0 0 0 0 PRESSAVG: 437500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437500 0 0 0 0 0 0 0 0 0 TIMING: 437500 CPU: 1743.16, 0.00397097/step Wall: 1743.16, 0.00397097/step, 0.0689404 hours remaining, 109.652344 MB of memory in use. ENERGY: 437500 655.7685 1870.4753 2013.0264 116.2158 -13.9772 -1014.1241 169.1435 0.0000 2682.3237 6478.8519 296.2701 3796.5282 6512.7587 299.3239 PRESSURE: 437600 0 0 0 0 0 0 0 0 0 GPRESSURE: 437600 0 0 0 0 0 0 0 0 0 PRESSAVG: 437600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437600 0 0 0 0 0 0 0 0 0 TIMING: 437600 CPU: 1743.56, 0.00398805/step Wall: 1743.56, 0.00398805/step, 0.0691262 hours remaining, 109.652344 MB of memory in use. ENERGY: 437600 641.4115 1893.6195 2005.8088 105.1866 -14.3222 -1047.4277 161.9544 0.0000 2776.9757 6523.2065 306.7247 3746.2309 6557.9330 301.8973 PRESSURE: 437700 0 0 0 0 0 0 0 0 0 GPRESSURE: 437700 0 0 0 0 0 0 0 0 0 PRESSAVG: 437700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437700 0 0 0 0 0 0 0 0 0 TIMING: 437700 CPU: 1743.95, 0.00396956/step Wall: 1743.95, 0.00396956/step, 0.0686955 hours remaining, 109.652344 MB of memory in use. ENERGY: 437700 643.3460 1885.6346 2025.9688 109.5065 -13.5106 -1068.3851 164.5679 0.0000 2796.8676 6543.9959 308.9218 3747.1283 6579.9278 304.0149 PRESSURE: 437800 0 0 0 0 0 0 0 0 0 GPRESSURE: 437800 0 0 0 0 0 0 0 0 0 PRESSAVG: 437800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437800 0 0 0 0 0 0 0 0 0 TIMING: 437800 CPU: 1744.35, 0.00397184/step Wall: 1744.35, 0.00397184/step, 0.0686246 hours remaining, 109.652344 MB of memory in use. ENERGY: 437800 671.4669 1847.2712 2006.6974 98.9551 -13.8406 -1042.0496 165.4440 0.0000 2804.8242 6538.7686 309.8006 3733.9444 6574.1284 303.7601 PRESSURE: 437900 0 0 0 0 0 0 0 0 0 GPRESSURE: 437900 0 0 0 0 0 0 0 0 0 PRESSAVG: 437900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 437900 0 0 0 0 0 0 0 0 0 TIMING: 437900 CPU: 1744.75, 0.00398567/step Wall: 1744.75, 0.00398567/step, 0.0687528 hours remaining, 109.652344 MB of memory in use. ENERGY: 437900 698.3594 1855.5265 1966.9250 96.0416 -13.2440 -1003.0236 154.9902 0.0000 2754.3628 6509.9378 304.2270 3755.5750 6540.9531 303.0486 PRESSURE: 438000 0 0 0 0 0 0 0 0 0 GPRESSURE: 438000 0 0 0 0 0 0 0 0 0 PRESSAVG: 438000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438000 0 0 0 0 0 0 0 0 0 TIMING: 438000 CPU: 1745.15, 0.00397125/step Wall: 1745.15, 0.00397125/step, 0.0683938 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 438000 673.5374 1911.2216 1998.3746 101.3528 -13.3748 -1056.4398 158.8594 0.0000 2767.8275 6541.3586 305.7143 3773.5312 6575.1469 302.7944 PRESSURE: 438100 0 0 0 0 0 0 0 0 0 GPRESSURE: 438100 0 0 0 0 0 0 0 0 0 PRESSAVG: 438100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438100 0 0 0 0 0 0 0 0 0 TIMING: 438100 CPU: 1745.54, 0.00398938/step Wall: 1745.54, 0.00398938/step, 0.0685952 hours remaining, 109.652344 MB of memory in use. ENERGY: 438100 693.8180 1879.0019 2017.7384 107.3182 -13.2244 -1021.7368 161.1983 0.0000 2755.3131 6579.4268 304.3320 3824.1137 6613.0234 304.9781 PRESSURE: 438200 0 0 0 0 0 0 0 0 0 GPRESSURE: 438200 0 0 0 0 0 0 0 0 0 PRESSAVG: 438200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438200 0 0 0 0 0 0 0 0 0 TIMING: 438200 CPU: 1745.94, 0.00397264/step Wall: 1745.94, 0.00397264/step, 0.068197 hours remaining, 109.652344 MB of memory in use. ENERGY: 438200 669.9978 1917.9886 2023.1324 115.0293 -12.9253 -1043.7826 167.0961 0.0000 2733.5898 6570.1262 301.9326 3836.5363 6602.1081 304.7653 PRESSURE: 438300 0 0 0 0 0 0 0 0 0 GPRESSURE: 438300 0 0 0 0 0 0 0 0 0 PRESSAVG: 438300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438300 0 0 0 0 0 0 0 0 0 TIMING: 438300 CPU: 1746.34, 0.00397332/step Wall: 1746.34, 0.00397332/step, 0.0680983 hours remaining, 109.652344 MB of memory in use. ENERGY: 438300 654.6289 1924.0431 2031.3078 97.1401 -12.7458 -1047.6295 166.6883 0.0000 2770.5315 6583.9644 306.0129 3813.4329 6613.6530 305.6853 PRESSURE: 438400 0 0 0 0 0 0 0 0 0 GPRESSURE: 438400 0 0 0 0 0 0 0 0 0 PRESSAVG: 438400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438400 0 0 0 0 0 0 0 0 0 TIMING: 438400 CPU: 1746.74, 0.00398707/step Wall: 1746.74, 0.00398707/step, 0.0682232 hours remaining, 109.652344 MB of memory in use. ENERGY: 438400 702.6452 1917.2133 2024.0431 104.7738 -13.4291 -1058.8875 145.3332 0.0000 2770.6346 6592.3266 306.0243 3821.6920 6621.2702 306.1805 PRESSURE: 438500 0 0 0 0 0 0 0 0 0 GPRESSURE: 438500 0 0 0 0 0 0 0 0 0 PRESSAVG: 438500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438500 0 0 0 0 0 0 0 0 0 TIMING: 438500 CPU: 1747.14, 0.00397185/step Wall: 1747.14, 0.00397185/step, 0.0678525 hours remaining, 109.652344 MB of memory in use. ENERGY: 438500 676.9688 1916.6034 2016.3149 103.2441 -13.7188 -1047.5801 160.1699 0.0000 2782.0949 6594.0970 307.2901 3812.0021 6627.8175 306.0001 PRESSURE: 438600 0 0 0 0 0 0 0 0 0 GPRESSURE: 438600 0 0 0 0 0 0 0 0 0 PRESSAVG: 438600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438600 0 0 0 0 0 0 0 0 0 TIMING: 438600 CPU: 1747.53, 0.00398836/step Wall: 1747.53, 0.00398836/step, 0.0680237 hours remaining, 109.652344 MB of memory in use. ENERGY: 438600 655.9160 1843.7604 2010.6802 104.2318 -12.7617 -982.0248 163.9635 0.0000 2783.1921 6566.9577 307.4113 3783.7655 6601.6938 306.0530 PRESSURE: 438700 0 0 0 0 0 0 0 0 0 GPRESSURE: 438700 0 0 0 0 0 0 0 0 0 PRESSAVG: 438700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438700 0 0 0 0 0 0 0 0 0 TIMING: 438700 CPU: 1747.93, 0.00397467/step Wall: 1747.93, 0.00397467/step, 0.0676798 hours remaining, 109.652344 MB of memory in use. ENERGY: 438700 638.0163 1947.4715 2034.6519 96.1556 -13.9868 -1013.6322 172.3479 0.0000 2708.7602 6569.7844 299.1901 3861.0242 6602.4792 305.4743 PRESSURE: 438800 0 0 0 0 0 0 0 0 0 GPRESSURE: 438800 0 0 0 0 0 0 0 0 0 PRESSAVG: 438800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438800 0 0 0 0 0 0 0 0 0 TIMING: 438800 CPU: 1748.33, 0.00397448/step Wall: 1748.33, 0.00397448/step, 0.0675662 hours remaining, 109.652344 MB of memory in use. ENERGY: 438800 630.3615 1864.6733 1992.3825 109.5841 -13.3590 -1014.5138 160.5209 0.0000 2762.9521 6492.6017 305.1758 3729.6496 6525.5446 302.2854 PRESSURE: 438900 0 0 0 0 0 0 0 0 0 GPRESSURE: 438900 0 0 0 0 0 0 0 0 0 PRESSAVG: 438900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 438900 0 0 0 0 0 0 0 0 0 TIMING: 438900 CPU: 1748.73, 0.00398558/step Wall: 1748.73, 0.00398558/step, 0.0676442 hours remaining, 109.652344 MB of memory in use. ENERGY: 438900 632.4627 1846.8233 2015.4295 106.1206 -13.6460 -1019.9329 167.0380 0.0000 2747.0614 6481.3566 303.4206 3734.2951 6512.3362 300.7034 PRESSURE: 439000 0 0 0 0 0 0 0 0 0 GPRESSURE: 439000 0 0 0 0 0 0 0 0 0 PRESSAVG: 439000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439000 0 0 0 0 0 0 0 0 0 TIMING: 439000 CPU: 1749.12, 0.00397114/step Wall: 1749.12, 0.00397114/step, 0.0672887 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 439000 656.2164 1915.5110 2006.4213 91.4050 -13.3294 -1026.4112 153.7481 0.0000 2712.0236 6495.5848 299.5506 3783.5613 6525.8437 300.1997 PRESSURE: 439100 0 0 0 0 0 0 0 0 0 GPRESSURE: 439100 0 0 0 0 0 0 0 0 0 PRESSAVG: 439100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439100 0 0 0 0 0 0 0 0 0 TIMING: 439100 CPU: 1749.52, 0.00398704/step Wall: 1749.52, 0.00398704/step, 0.0674474 hours remaining, 109.652344 MB of memory in use. ENERGY: 439100 646.2213 1848.6679 2016.4485 109.1384 -13.0557 -1039.0435 156.0572 0.0000 2758.7856 6483.2197 304.7156 3724.4342 6517.6470 300.5571 PRESSURE: 439200 0 0 0 0 0 0 0 0 0 GPRESSURE: 439200 0 0 0 0 0 0 0 0 0 PRESSAVG: 439200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439200 0 0 0 0 0 0 0 0 0 TIMING: 439200 CPU: 1749.92, 0.00397173/step Wall: 1749.92, 0.00397173/step, 0.0670781 hours remaining, 109.652344 MB of memory in use. ENERGY: 439200 660.6147 1878.4020 2037.6943 108.5563 -13.7093 -1086.2399 168.0742 0.0000 2749.7247 6503.1171 303.7148 3753.3924 6535.3501 300.5610 PRESSURE: 439300 0 0 0 0 0 0 0 0 0 GPRESSURE: 439300 0 0 0 0 0 0 0 0 0 PRESSAVG: 439300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439300 0 0 0 0 0 0 0 0 0 TIMING: 439300 CPU: 1750.32, 0.00397172/step Wall: 1750.32, 0.00397172/step, 0.0669676 hours remaining, 109.652344 MB of memory in use. ENERGY: 439300 651.0911 1921.8505 1996.7231 111.0909 -13.5279 -1068.6857 156.3226 0.0000 2739.4726 6494.3372 302.5824 3754.8646 6527.8683 299.9004 PRESSURE: 439400 0 0 0 0 0 0 0 0 0 GPRESSURE: 439400 0 0 0 0 0 0 0 0 0 PRESSAVG: 439400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439400 0 0 0 0 0 0 0 0 0 TIMING: 439400 CPU: 1750.72, 0.00401862/step Wall: 1750.72, 0.00401862/step, 0.0676468 hours remaining, 109.652344 MB of memory in use. ENERGY: 439400 660.1640 1917.8133 1997.5392 108.9876 -13.4413 -1061.5230 153.2482 0.0000 2744.8292 6507.6172 303.1740 3762.7880 6538.4350 301.4878 PRESSURE: 439500 0 0 0 0 0 0 0 0 0 GPRESSURE: 439500 0 0 0 0 0 0 0 0 0 PRESSAVG: 439500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439500 0 0 0 0 0 0 0 0 0 TIMING: 439500 CPU: 1751.12, 0.00397093/step Wall: 1751.12, 0.00397093/step, 0.0667337 hours remaining, 109.652344 MB of memory in use. ENERGY: 439500 659.6631 1882.9903 2009.0207 118.2374 -13.1382 -1086.8452 153.2534 0.0000 2775.5621 6498.7436 306.5686 3723.1815 6535.3817 301.8832 PRESSURE: 439600 0 0 0 0 0 0 0 0 0 GPRESSURE: 439600 0 0 0 0 0 0 0 0 0 PRESSAVG: 439600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439600 0 0 0 0 0 0 0 0 0 TIMING: 439600 CPU: 1751.52, 0.00398658/step Wall: 1751.52, 0.00398658/step, 0.066886 hours remaining, 109.652344 MB of memory in use. ENERGY: 439600 677.2316 1888.8487 2015.6215 103.5801 -13.8542 -1027.4527 146.0865 0.0000 2726.8238 6516.8854 301.1853 3790.0616 6547.8596 302.0208 PRESSURE: 439700 0 0 0 0 0 0 0 0 0 GPRESSURE: 439700 0 0 0 0 0 0 0 0 0 PRESSAVG: 439700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439700 0 0 0 0 0 0 0 0 0 TIMING: 439700 CPU: 1751.92, 0.00399511/step Wall: 1751.92, 0.0039951/step, 0.0669179 hours remaining, 109.652344 MB of memory in use. ENERGY: 439700 652.0732 1896.0611 2019.2219 113.1007 -13.8426 -1046.1262 163.6716 0.0000 2726.1780 6510.3377 301.1140 3784.1597 6542.5413 301.8474 PRESSURE: 439800 0 0 0 0 0 0 0 0 0 GPRESSURE: 439800 0 0 0 0 0 0 0 0 0 PRESSAVG: 439800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439800 0 0 0 0 0 0 0 0 0 TIMING: 439800 CPU: 1752.31, 0.00397442/step Wall: 1752.31, 0.00397443/step, 0.0664613 hours remaining, 109.652344 MB of memory in use. ENERGY: 439800 653.7565 1867.3934 1983.6255 103.4816 -13.9689 -1032.8641 155.5335 0.0000 2744.9415 6461.8989 303.1864 3716.9574 6496.5993 300.3185 PRESSURE: 439900 0 0 0 0 0 0 0 0 0 GPRESSURE: 439900 0 0 0 0 0 0 0 0 0 PRESSAVG: 439900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 439900 0 0 0 0 0 0 0 0 0 TIMING: 439900 CPU: 1752.71, 0.00399073/step Wall: 1752.71, 0.00399073/step, 0.066623 hours remaining, 109.652344 MB of memory in use. ENERGY: 439900 671.1182 1869.5826 2024.9662 96.7105 -12.8404 -1045.7776 158.4739 0.0000 2703.3998 6465.6332 298.5980 3762.2334 6498.9408 299.7792 PRESSURE: 440000 0 0 0 0 0 0 0 0 0 GPRESSURE: 440000 0 0 0 0 0 0 0 0 0 PRESSAVG: 440000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440000 0 0 0 0 0 0 0 0 0 TIMING: 440000 CPU: 1753.11, 0.00397535/step Wall: 1753.11, 0.00397534/step, 0.0662557 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 440000 665.8337 1901.4719 1999.4512 108.6033 -14.3357 -1040.4079 143.1100 0.0000 2691.9708 6455.6973 297.3357 3763.7265 6489.0201 298.0843 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 440000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 440000 WRITING COORDINATES TO RESTART FILE AT STEP 440000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 440000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 440100 0 0 0 0 0 0 0 0 0 GPRESSURE: 440100 0 0 0 0 0 0 0 0 0 PRESSAVG: 440100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440100 0 0 0 0 0 0 0 0 0 TIMING: 440100 CPU: 1753.55, 0.00444181/step Wall: 1753.55, 0.00444182/step, 0.0739069 hours remaining, 109.652344 MB of memory in use. ENERGY: 440100 655.1949 1859.5941 1990.9038 99.6154 -13.7544 -1045.3077 168.1285 0.0000 2711.7042 6426.0789 299.5153 3714.3747 6459.5881 298.7614 PRESSURE: 440200 0 0 0 0 0 0 0 0 0 GPRESSURE: 440200 0 0 0 0 0 0 0 0 0 PRESSAVG: 440200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440200 0 0 0 0 0 0 0 0 0 TIMING: 440200 CPU: 1753.95, 0.00397167/step Wall: 1753.95, 0.00397167/step, 0.0659738 hours remaining, 109.652344 MB of memory in use. ENERGY: 440200 627.9012 1912.3747 1991.2108 108.7568 -13.2901 -1066.9364 162.2178 0.0000 2727.2235 6449.4583 301.2294 3722.2347 6482.6463 296.9383 LDB: ============= START OF LOAD BALANCING ============== 1756.73 LDB: ============== END OF LOAD BALANCING =============== 1756.73 LDB: =============== DONE WITH MIGRATION ================ 1756.73 PRESSURE: 440300 0 0 0 0 0 0 0 0 0 GPRESSURE: 440300 0 0 0 0 0 0 0 0 0 PRESSAVG: 440300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440300 0 0 0 0 0 0 0 0 0 TIMING: 440300 CPU: 1754.35, 0.00397594/step Wall: 1754.35, 0.00397594/step, 0.0659343 hours remaining, 109.652344 MB of memory in use. ENERGY: 440300 693.2161 1851.3424 2033.1449 112.7520 -14.4708 -1050.8667 157.9872 0.0000 2706.0900 6489.1951 298.8952 3783.1050 6522.9977 298.9003 LDB: ============= START OF LOAD BALANCING ============== 1757.12 LDB: ============== END OF LOAD BALANCING =============== 1757.12 LDB: =============== DONE WITH MIGRATION ================ 1757.12 PRESSURE: 440400 0 0 0 0 0 0 0 0 0 GPRESSURE: 440400 0 0 0 0 0 0 0 0 0 PRESSAVG: 440400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440400 0 0 0 0 0 0 0 0 0 TIMING: 440400 CPU: 1754.75, 0.00399198/step Wall: 1754.75, 0.00399198/step, 0.0660895 hours remaining, 109.652344 MB of memory in use. ENERGY: 440400 669.0490 1838.7578 1993.9842 111.9108 -12.9116 -1020.7512 154.1973 0.0000 2750.0044 6484.2408 303.7456 3734.2363 6516.2034 300.5530 PRESSURE: 440500 0 0 0 0 0 0 0 0 0 GPRESSURE: 440500 0 0 0 0 0 0 0 0 0 PRESSAVG: 440500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440500 0 0 0 0 0 0 0 0 0 TIMING: 440500 CPU: 1755.14, 0.00396957/step Wall: 1755.14, 0.00396956/step, 0.065608 hours remaining, 109.652344 MB of memory in use. ENERGY: 440500 684.0230 1856.2286 2053.8395 96.7891 -12.7771 -1048.0356 168.0572 0.0000 2730.1064 6528.2312 301.5479 3798.1248 6561.4876 301.5574 PRESSURE: 440600 0 0 0 0 0 0 0 0 0 GPRESSURE: 440600 0 0 0 0 0 0 0 0 0 PRESSAVG: 440600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440600 0 0 0 0 0 0 0 0 0 TIMING: 440600 CPU: 1755.54, 0.00398775/step Wall: 1755.54, 0.00398776/step, 0.065798 hours remaining, 109.652344 MB of memory in use. ENERGY: 440600 676.5173 1914.3257 2008.3986 107.0036 -13.8028 -1067.2937 162.0784 0.0000 2758.0060 6545.2331 304.6294 3787.2271 6578.6259 302.9652 PRESSURE: 440700 0 0 0 0 0 0 0 0 0 GPRESSURE: 440700 0 0 0 0 0 0 0 0 0 PRESSAVG: 440700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440700 0 0 0 0 0 0 0 0 0 TIMING: 440700 CPU: 1755.94, 0.00397145/step Wall: 1755.94, 0.00397145/step, 0.0654186 hours remaining, 109.652344 MB of memory in use. ENERGY: 440700 673.9827 1878.3950 2025.2402 117.4329 -14.6581 -1042.7759 150.3542 0.0000 2760.3371 6548.3080 304.8869 3787.9710 6584.1393 302.9953 PRESSURE: 440800 0 0 0 0 0 0 0 0 0 GPRESSURE: 440800 0 0 0 0 0 0 0 0 0 PRESSAVG: 440800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440800 0 0 0 0 0 0 0 0 0 TIMING: 440800 CPU: 1756.34, 0.00397398/step Wall: 1756.34, 0.00397398/step, 0.0653499 hours remaining, 109.652344 MB of memory in use. ENERGY: 440800 646.4833 1943.6767 2023.8032 109.1456 -13.9830 -1049.6460 159.6186 0.0000 2776.5391 6595.6375 306.6765 3819.0984 6626.2157 305.6750 PRESSURE: 440900 0 0 0 0 0 0 0 0 0 GPRESSURE: 440900 0 0 0 0 0 0 0 0 0 PRESSAVG: 440900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 440900 0 0 0 0 0 0 0 0 0 TIMING: 440900 CPU: 1756.74, 0.00398112/step Wall: 1756.74, 0.00398112/step, 0.0653567 hours remaining, 109.652344 MB of memory in use. ENERGY: 440900 694.3301 1939.9459 2014.1594 98.3962 -13.2695 -1072.3676 152.5872 0.0000 2782.7067 6596.4883 307.3577 3813.7816 6630.8864 306.5801 PRESSURE: 441000 0 0 0 0 0 0 0 0 0 GPRESSURE: 441000 0 0 0 0 0 0 0 0 0 PRESSAVG: 441000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441000 0 0 0 0 0 0 0 0 0 TIMING: 441000 CPU: 1757.13, 0.00397035/step Wall: 1757.13, 0.00397035/step, 0.0650696 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 441000 649.1834 1892.2854 2040.0966 102.6771 -12.9251 -1030.5194 165.0710 0.0000 2789.5461 6595.4150 308.1131 3805.8689 6627.6714 306.3079 PRESSURE: 441100 0 0 0 0 0 0 0 0 0 GPRESSURE: 441100 0 0 0 0 0 0 0 0 0 PRESSAVG: 441100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441100 0 0 0 0 0 0 0 0 0 TIMING: 441100 CPU: 1757.53, 0.00398596/step Wall: 1757.53, 0.00398596/step, 0.0652147 hours remaining, 109.652344 MB of memory in use. ENERGY: 441100 661.0724 1885.3339 1995.4118 104.3792 -13.4128 -1032.8762 171.0469 0.0000 2824.7639 6595.7191 312.0030 3770.9552 6631.8045 306.3454 PRESSURE: 441200 0 0 0 0 0 0 0 0 0 GPRESSURE: 441200 0 0 0 0 0 0 0 0 0 PRESSAVG: 441200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441200 0 0 0 0 0 0 0 0 0 TIMING: 441200 CPU: 1757.93, 0.00397071/step Wall: 1757.93, 0.00397071/step, 0.0648549 hours remaining, 109.652344 MB of memory in use. ENERGY: 441200 662.3934 1899.5874 2021.9602 108.7014 -13.5362 -1004.9752 150.4718 0.0000 2785.9987 6610.6015 307.7213 3824.6028 6642.9772 306.8511 PRESSURE: 441300 0 0 0 0 0 0 0 0 0 GPRESSURE: 441300 0 0 0 0 0 0 0 0 0 PRESSAVG: 441300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441300 0 0 0 0 0 0 0 0 0 TIMING: 441300 CPU: 1758.33, 0.00396985/step Wall: 1758.33, 0.00396985/step, 0.0647306 hours remaining, 109.652344 MB of memory in use. ENERGY: 441300 683.1927 1907.2554 2005.0439 109.7255 -12.9418 -1034.2841 168.6220 0.0000 2785.9765 6612.5901 307.7189 3826.6136 6649.6566 306.7117 PRESSURE: 441400 0 0 0 0 0 0 0 0 0 GPRESSURE: 441400 0 0 0 0 0 0 0 0 0 PRESSAVG: 441400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441400 0 0 0 0 0 0 0 0 0 TIMING: 441400 CPU: 1758.72, 0.00398365/step Wall: 1758.72, 0.00398365/step, 0.064845 hours remaining, 109.652344 MB of memory in use. ENERGY: 441400 657.4483 1931.7082 2003.8940 104.7354 -13.4417 -1035.9221 169.8821 0.0000 2813.1444 6631.4486 310.7196 3818.3042 6665.4380 307.7025 PRESSURE: 441500 0 0 0 0 0 0 0 0 0 GPRESSURE: 441500 0 0 0 0 0 0 0 0 0 PRESSAVG: 441500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441500 0 0 0 0 0 0 0 0 0 TIMING: 441500 CPU: 1759.12, 0.00397061/step Wall: 1759.12, 0.00397061/step, 0.0645224 hours remaining, 109.652344 MB of memory in use. ENERGY: 441500 657.5271 1975.5594 2009.8573 85.7241 -12.4683 -1043.8918 162.3171 0.0000 2779.1975 6613.8223 306.9701 3834.6249 6645.1102 307.5770 PRESSURE: 441600 0 0 0 0 0 0 0 0 0 GPRESSURE: 441600 0 0 0 0 0 0 0 0 0 PRESSAVG: 441600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441600 0 0 0 0 0 0 0 0 0 TIMING: 441600 CPU: 1759.52, 0.00398375/step Wall: 1759.52, 0.00398375/step, 0.0646252 hours remaining, 109.652344 MB of memory in use. ENERGY: 441600 652.9181 1941.9071 2022.6113 101.4504 -12.3408 -1031.9226 170.8007 0.0000 2759.6553 6605.0794 304.8116 3845.4242 6639.0264 308.6415 PRESSURE: 441700 0 0 0 0 0 0 0 0 0 GPRESSURE: 441700 0 0 0 0 0 0 0 0 0 PRESSAVG: 441700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441700 0 0 0 0 0 0 0 0 0 TIMING: 441700 CPU: 1759.92, 0.0039671/step Wall: 1759.92, 0.0039671/step, 0.064245 hours remaining, 109.652344 MB of memory in use. ENERGY: 441700 660.7152 1970.4405 2018.7811 104.5261 -13.5021 -1056.0224 167.2018 0.0000 2706.6698 6558.8099 298.9592 3852.1401 6590.3598 304.1426 PRESSURE: 441800 0 0 0 0 0 0 0 0 0 GPRESSURE: 441800 0 0 0 0 0 0 0 0 0 PRESSAVG: 441800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441800 0 0 0 0 0 0 0 0 0 TIMING: 441800 CPU: 1760.31, 0.00396896/step Wall: 1760.31, 0.00396896/step, 0.0641648 hours remaining, 109.652344 MB of memory in use. ENERGY: 441800 669.5767 1931.2131 2009.4124 113.4123 -13.1357 -1017.9195 162.2923 0.0000 2733.5664 6588.4179 301.9300 3854.8516 6619.8670 304.9108 PRESSURE: 441900 0 0 0 0 0 0 0 0 0 GPRESSURE: 441900 0 0 0 0 0 0 0 0 0 PRESSAVG: 441900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 441900 0 0 0 0 0 0 0 0 0 TIMING: 441900 CPU: 1760.71, 0.00398373/step Wall: 1760.71, 0.00398373/step, 0.064293 hours remaining, 109.652344 MB of memory in use. ENERGY: 441900 685.9635 1918.9401 2010.8553 103.5489 -14.2025 -1061.5207 169.8098 0.0000 2747.5678 6560.9622 303.4765 3813.3944 6595.4361 304.7770 PRESSURE: 442000 0 0 0 0 0 0 0 0 0 GPRESSURE: 442000 0 0 0 0 0 0 0 0 0 PRESSAVG: 442000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442000 0 0 0 0 0 0 0 0 0 TIMING: 442000 CPU: 1761.11, 0.00397066/step Wall: 1761.11, 0.00397066/step, 0.0639717 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 442000 610.3425 1930.7372 2005.1122 112.5057 -13.8833 -1005.9978 154.7948 0.0000 2782.6413 6576.2527 307.3505 3793.6114 6607.4445 306.0073 PRESSURE: 442100 0 0 0 0 0 0 0 0 0 GPRESSURE: 442100 0 0 0 0 0 0 0 0 0 PRESSAVG: 442100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442100 0 0 0 0 0 0 0 0 0 TIMING: 442100 CPU: 1761.51, 0.00398667/step Wall: 1761.51, 0.00398667/step, 0.064119 hours remaining, 109.652344 MB of memory in use. ENERGY: 442100 659.4511 1892.7432 1989.9231 113.6351 -13.0381 -1029.2901 175.8563 0.0000 2767.2873 6556.5679 305.6546 3789.2807 6590.2831 305.0980 PRESSURE: 442200 0 0 0 0 0 0 0 0 0 GPRESSURE: 442200 0 0 0 0 0 0 0 0 0 PRESSAVG: 442200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442200 0 0 0 0 0 0 0 0 0 TIMING: 442200 CPU: 1761.9, 0.00397032/step Wall: 1761.9, 0.00397032/step, 0.0637457 hours remaining, 109.652344 MB of memory in use. ENERGY: 442200 677.4515 1905.5376 2026.1154 97.8818 -14.2269 -1031.9910 149.3789 0.0000 2723.7888 6533.9361 300.8501 3810.1473 6567.1069 303.8254 PRESSURE: 442300 0 0 0 0 0 0 0 0 0 GPRESSURE: 442300 0 0 0 0 0 0 0 0 0 PRESSAVG: 442300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442300 0 0 0 0 0 0 0 0 0 TIMING: 442300 CPU: 1762.3, 0.00397143/step Wall: 1762.3, 0.00397143/step, 0.0636532 hours remaining, 109.652344 MB of memory in use. ENERGY: 442300 648.8837 1977.1366 1972.0684 109.3040 -14.0026 -1058.1417 166.1258 0.0000 2735.7778 6537.1521 302.1743 3801.3743 6569.2690 302.2540 PRESSURE: 442400 0 0 0 0 0 0 0 0 0 GPRESSURE: 442400 0 0 0 0 0 0 0 0 0 PRESSAVG: 442400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442400 0 0 0 0 0 0 0 0 0 TIMING: 442400 CPU: 1762.7, 0.00398247/step Wall: 1762.7, 0.00398246/step, 0.0637194 hours remaining, 109.652344 MB of memory in use. ENERGY: 442400 659.4852 1936.2863 2003.6720 103.5004 -14.3451 -1083.2733 164.8933 0.0000 2771.1020 6541.3208 306.0759 3770.2188 6577.6195 302.8044 PRESSURE: 442500 0 0 0 0 0 0 0 0 0 GPRESSURE: 442500 0 0 0 0 0 0 0 0 0 PRESSAVG: 442500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442500 0 0 0 0 0 0 0 0 0 TIMING: 442500 CPU: 1763.1, 0.00396924/step Wall: 1763.1, 0.00396925/step, 0.0633977 hours remaining, 109.652344 MB of memory in use. ENERGY: 442500 667.2741 1934.6635 2019.6612 99.1412 -14.7226 -1043.2123 159.7758 0.0000 2734.3917 6556.9726 302.0212 3822.5809 6591.0357 303.7884 PRESSURE: 442600 0 0 0 0 0 0 0 0 0 GPRESSURE: 442600 0 0 0 0 0 0 0 0 0 PRESSAVG: 442600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442600 0 0 0 0 0 0 0 0 0 TIMING: 442600 CPU: 1763.49, 0.00398597/step Wall: 1763.49, 0.00398597/step, 0.0635541 hours remaining, 109.652344 MB of memory in use. ENERGY: 442600 676.8089 1959.4279 1982.9033 99.2040 -15.3637 -1048.8256 151.0152 0.0000 2732.3121 6537.4821 301.7915 3805.1700 6568.1896 303.5469 PRESSURE: 442700 0 0 0 0 0 0 0 0 0 GPRESSURE: 442700 0 0 0 0 0 0 0 0 0 PRESSAVG: 442700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442700 0 0 0 0 0 0 0 0 0 TIMING: 442700 CPU: 1763.89, 0.00396873/step Wall: 1763.89, 0.00396873/step, 0.063169 hours remaining, 109.652344 MB of memory in use. ENERGY: 442700 646.1230 1923.4431 2020.2494 105.7463 -14.8014 -1071.7305 163.0324 0.0000 2724.7179 6496.7801 300.9527 3772.0622 6527.6782 302.6938 PRESSURE: 442800 0 0 0 0 0 0 0 0 0 GPRESSURE: 442800 0 0 0 0 0 0 0 0 0 PRESSAVG: 442800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442800 0 0 0 0 0 0 0 0 0 TIMING: 442800 CPU: 1764.29, 0.00397141/step Wall: 1764.29, 0.0039714/step, 0.0631011 hours remaining, 109.652344 MB of memory in use. ENERGY: 442800 679.9810 1816.2918 2005.1108 120.8884 -14.2894 -1032.3870 160.1166 0.0000 2749.6390 6485.3513 303.7053 3735.7123 6523.6633 300.5047 PRESSURE: 442900 0 0 0 0 0 0 0 0 0 GPRESSURE: 442900 0 0 0 0 0 0 0 0 0 PRESSAVG: 442900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 442900 0 0 0 0 0 0 0 0 0 TIMING: 442900 CPU: 1764.69, 0.00398457/step Wall: 1764.69, 0.00398458/step, 0.0631999 hours remaining, 109.652344 MB of memory in use. ENERGY: 442900 661.8704 1905.3676 2034.5350 106.0096 -13.5541 -1064.1287 158.1687 0.0000 2733.7669 6522.0355 301.9522 3788.2686 6553.5402 301.5948 PRESSURE: 443000 0 0 0 0 0 0 0 0 0 GPRESSURE: 443000 0 0 0 0 0 0 0 0 0 PRESSAVG: 443000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443000 0 0 0 0 0 0 0 0 0 TIMING: 443000 CPU: 1765.08, 0.00397172/step Wall: 1765.08, 0.00397172/step, 0.0628856 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 443000 637.1376 1919.7763 1993.3218 110.7899 -14.4116 -1040.1892 157.6479 0.0000 2753.4276 6517.5002 304.1237 3764.0727 6549.3414 302.6389 PRESSURE: 443100 0 0 0 0 0 0 0 0 0 GPRESSURE: 443100 0 0 0 0 0 0 0 0 0 PRESSAVG: 443100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443100 0 0 0 0 0 0 0 0 0 TIMING: 443100 CPU: 1765.48, 0.0039819/step Wall: 1765.48, 0.0039819/step, 0.0629361 hours remaining, 109.652344 MB of memory in use. ENERGY: 443100 643.7054 1882.8997 2010.8734 98.9605 -14.5086 -1044.2591 154.7514 0.0000 2784.4430 6516.8659 307.5495 3732.4228 6551.9679 302.4842 PRESSURE: 443200 0 0 0 0 0 0 0 0 0 GPRESSURE: 443200 0 0 0 0 0 0 0 0 0 PRESSAVG: 443200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443200 0 0 0 0 0 0 0 0 0 TIMING: 443200 CPU: 1765.88, 0.00396949/step Wall: 1765.88, 0.00396949/step, 0.0626297 hours remaining, 109.652344 MB of memory in use. ENERGY: 443200 659.0143 1898.2130 2016.1889 106.1823 -13.3670 -1080.4279 152.3554 0.0000 2705.6770 6443.8361 298.8496 3738.1591 6477.6023 300.1459 PRESSURE: 443300 0 0 0 0 0 0 0 0 0 GPRESSURE: 443300 0 0 0 0 0 0 0 0 0 PRESSAVG: 443300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443300 0 0 0 0 0 0 0 0 0 TIMING: 443300 CPU: 1766.28, 0.00397116/step Wall: 1766.28, 0.00397116/step, 0.0625458 hours remaining, 109.652344 MB of memory in use. ENERGY: 443300 653.0181 1861.4277 2024.4374 95.7791 -15.4726 -1063.1306 151.3943 0.0000 2697.2029 6404.6564 297.9136 3707.4535 6438.0955 297.9226 PRESSURE: 443400 0 0 0 0 0 0 0 0 0 GPRESSURE: 443400 0 0 0 0 0 0 0 0 0 PRESSAVG: 443400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443400 0 0 0 0 0 0 0 0 0 TIMING: 443400 CPU: 1766.68, 0.00398633/step Wall: 1766.68, 0.00398633/step, 0.062674 hours remaining, 109.652344 MB of memory in use. ENERGY: 443400 684.0639 1901.1813 1998.0297 91.0170 -14.8770 -1076.6491 163.5335 0.0000 2685.3746 6431.6739 296.6071 3746.2993 6465.1719 296.4083 PRESSURE: 443500 0 0 0 0 0 0 0 0 0 GPRESSURE: 443500 0 0 0 0 0 0 0 0 0 PRESSAVG: 443500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443500 0 0 0 0 0 0 0 0 0 TIMING: 443500 CPU: 1767.07, 0.00397068/step Wall: 1767.07, 0.00397068/step, 0.0623176 hours remaining, 109.652344 MB of memory in use. ENERGY: 443500 606.2238 1859.0137 2011.5666 101.3562 -13.6615 -1050.6782 165.9519 0.0000 2725.2810 6405.0536 301.0149 3679.7726 6442.0366 295.9707 PRESSURE: 443600 0 0 0 0 0 0 0 0 0 GPRESSURE: 443600 0 0 0 0 0 0 0 0 0 PRESSAVG: 443600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443600 0 0 0 0 0 0 0 0 0 TIMING: 443600 CPU: 1767.47, 0.00397679/step Wall: 1767.47, 0.00397679/step, 0.0623031 hours remaining, 109.652344 MB of memory in use. ENERGY: 443600 649.0363 1902.1004 2028.1586 90.9586 -14.6558 -1072.9791 171.6998 0.0000 2664.4919 6418.8106 294.3005 3754.3188 6451.6539 296.4938 PRESSURE: 443700 0 0 0 0 0 0 0 0 0 GPRESSURE: 443700 0 0 0 0 0 0 0 0 0 PRESSAVG: 443700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443700 0 0 0 0 0 0 0 0 0 TIMING: 443700 CPU: 1767.87, 0.00397977/step Wall: 1767.87, 0.00397977/step, 0.0622392 hours remaining, 109.652344 MB of memory in use. ENERGY: 443700 649.4461 1879.2790 2003.5454 99.0322 -13.8067 -1048.0799 153.3803 0.0000 2683.6857 6406.4821 296.4206 3722.7964 6438.5492 297.1336 PRESSURE: 443800 0 0 0 0 0 0 0 0 0 GPRESSURE: 443800 0 0 0 0 0 0 0 0 0 PRESSAVG: 443800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443800 0 0 0 0 0 0 0 0 0 TIMING: 443800 CPU: 1768.27, 0.00397239/step Wall: 1768.27, 0.00397239/step, 0.0620134 hours remaining, 109.652344 MB of memory in use. ENERGY: 443800 634.9442 1945.7048 2008.8077 97.6390 -15.1849 -1038.0015 157.1073 0.0000 2666.0261 6457.0429 294.4700 3791.0167 6487.0767 297.0517 PRESSURE: 443900 0 0 0 0 0 0 0 0 0 GPRESSURE: 443900 0 0 0 0 0 0 0 0 0 PRESSAVG: 443900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 443900 0 0 0 0 0 0 0 0 0 TIMING: 443900 CPU: 1768.66, 0.00398543/step Wall: 1768.66, 0.00398543/step, 0.0621063 hours remaining, 109.652344 MB of memory in use. ENERGY: 443900 645.8812 1914.1377 1998.7531 97.6289 -14.3903 -1025.7852 156.2802 0.0000 2698.4583 6470.9640 298.0522 3772.5057 6500.5798 298.4078 PRESSURE: 444000 0 0 0 0 0 0 0 0 0 GPRESSURE: 444000 0 0 0 0 0 0 0 0 0 PRESSAVG: 444000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444000 0 0 0 0 0 0 0 0 0 TIMING: 444000 CPU: 1769.06, 0.00397056/step Wall: 1769.06, 0.00397056/step, 0.0617642 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 444000 654.1343 1891.5696 1982.9819 98.9182 -13.7391 -1024.8148 158.6353 0.0000 2738.1556 6485.8411 302.4369 3747.6855 6519.1404 300.9146 PRESSURE: 444100 0 0 0 0 0 0 0 0 0 GPRESSURE: 444100 0 0 0 0 0 0 0 0 0 PRESSAVG: 444100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444100 0 0 0 0 0 0 0 0 0 TIMING: 444100 CPU: 1769.46, 0.0039715/step Wall: 1769.46, 0.0039715/step, 0.0616686 hours remaining, 109.652344 MB of memory in use. ENERGY: 444100 669.6106 1907.9625 1985.6122 102.1037 -12.8307 -1056.4840 149.8663 0.0000 2754.7438 6500.5844 304.2691 3745.8406 6534.6713 299.7950 PRESSURE: 444200 0 0 0 0 0 0 0 0 0 GPRESSURE: 444200 0 0 0 0 0 0 0 0 0 PRESSAVG: 444200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444200 0 0 0 0 0 0 0 0 0 TIMING: 444200 CPU: 1769.86, 0.00398419/step Wall: 1769.86, 0.00398419/step, 0.061755 hours remaining, 109.652344 MB of memory in use. ENERGY: 444200 654.1104 1836.4218 2006.8577 105.6195 -13.2198 -987.3652 161.8465 0.0000 2720.0956 6484.3664 300.4421 3764.2708 6517.9142 300.0005 LDB: ============= START OF LOAD BALANCING ============== 1772.63 LDB: ============== END OF LOAD BALANCING =============== 1772.63 LDB: =============== DONE WITH MIGRATION ================ 1772.63 PRESSURE: 444300 0 0 0 0 0 0 0 0 0 GPRESSURE: 444300 0 0 0 0 0 0 0 0 0 PRESSAVG: 444300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444300 0 0 0 0 0 0 0 0 0 TIMING: 444300 CPU: 1770.25, 0.00397361/step Wall: 1770.25, 0.00397361/step, 0.0614805 hours remaining, 109.652344 MB of memory in use. ENERGY: 444300 681.0567 1897.5999 2005.4124 103.8731 -14.1083 -1074.3015 182.1941 0.0000 2698.5421 6480.2686 298.0615 3781.7265 6512.3690 300.2766 LDB: ============= START OF LOAD BALANCING ============== 1773.03 LDB: ============== END OF LOAD BALANCING =============== 1773.03 LDB: =============== DONE WITH MIGRATION ================ 1773.03 PRESSURE: 444400 0 0 0 0 0 0 0 0 0 GPRESSURE: 444400 0 0 0 0 0 0 0 0 0 PRESSAVG: 444400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444400 0 0 0 0 0 0 0 0 0 TIMING: 444400 CPU: 1770.65, 0.00399504/step Wall: 1770.65, 0.00399504/step, 0.0617012 hours remaining, 109.652344 MB of memory in use. ENERGY: 444400 670.3903 1888.0727 2012.2811 117.7523 -15.4648 -1024.2866 154.3093 0.0000 2690.5347 6493.5890 297.1770 3803.0544 6524.3280 300.3158 PRESSURE: 444500 0 0 0 0 0 0 0 0 0 GPRESSURE: 444500 0 0 0 0 0 0 0 0 0 PRESSAVG: 444500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444500 0 0 0 0 0 0 0 0 0 TIMING: 444500 CPU: 1771.05, 0.00396989/step Wall: 1771.05, 0.00396989/step, 0.0612025 hours remaining, 109.652344 MB of memory in use. ENERGY: 444500 658.3239 1924.0831 2002.3990 106.5913 -15.7837 -1053.7715 155.1863 0.0000 2713.3019 6490.3303 299.6918 3777.0283 6525.3281 301.2089 PRESSURE: 444600 0 0 0 0 0 0 0 0 0 GPRESSURE: 444600 0 0 0 0 0 0 0 0 0 PRESSAVG: 444600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444600 0 0 0 0 0 0 0 0 0 TIMING: 444600 CPU: 1771.45, 0.00397294/step Wall: 1771.45, 0.00397294/step, 0.0611391 hours remaining, 109.652344 MB of memory in use. ENERGY: 444600 673.4097 1860.3846 2001.1446 98.4115 -14.7348 -1037.7336 164.8272 0.0000 2723.6534 6469.3625 300.8351 3745.7091 6503.0635 299.4279 PRESSURE: 444700 0 0 0 0 0 0 0 0 0 GPRESSURE: 444700 0 0 0 0 0 0 0 0 0 PRESSAVG: 444700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444700 0 0 0 0 0 0 0 0 0 TIMING: 444700 CPU: 1771.85, 0.00398495/step Wall: 1771.85, 0.00398495/step, 0.0612133 hours remaining, 109.652344 MB of memory in use. ENERGY: 444700 675.2780 1885.1302 1994.6831 107.3804 -14.9204 -1052.2157 175.6146 0.0000 2709.9419 6480.8920 299.3206 3770.9501 6513.3587 299.6224 PRESSURE: 444800 0 0 0 0 0 0 0 0 0 GPRESSURE: 444800 0 0 0 0 0 0 0 0 0 PRESSAVG: 444800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444800 0 0 0 0 0 0 0 0 0 TIMING: 444800 CPU: 1772.24, 0.00397036/step Wall: 1772.24, 0.00397036/step, 0.0608789 hours remaining, 109.652344 MB of memory in use. ENERGY: 444800 634.7436 1905.8480 2004.0355 100.6095 -14.2353 -1033.4149 159.1027 0.0000 2731.1915 6487.8807 301.6677 3756.6892 6520.6990 300.7219 PRESSURE: 444900 0 0 0 0 0 0 0 0 0 GPRESSURE: 444900 0 0 0 0 0 0 0 0 0 PRESSAVG: 444900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 444900 0 0 0 0 0 0 0 0 0 TIMING: 444900 CPU: 1772.64, 0.00398158/step Wall: 1772.64, 0.00398158/step, 0.0609403 hours remaining, 109.652344 MB of memory in use. ENERGY: 444900 641.1764 1943.2488 1992.6562 100.3077 -13.6487 -1037.2239 149.6503 0.0000 2699.5130 6475.6798 298.1687 3776.1668 6509.6416 299.8390 PRESSURE: 445000 0 0 0 0 0 0 0 0 0 GPRESSURE: 445000 0 0 0 0 0 0 0 0 0 PRESSAVG: 445000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445000 0 0 0 0 0 0 0 0 0 TIMING: 445000 CPU: 1773.04, 0.00397025/step Wall: 1773.04, 0.00397025/step, 0.0606566 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 445000 677.7511 1904.8742 1983.7165 95.0578 -13.9168 -1041.6241 164.0785 0.0000 2664.2227 6434.1599 294.2708 3769.9372 6464.5640 297.7449 PRESSURE: 445100 0 0 0 0 0 0 0 0 0 GPRESSURE: 445100 0 0 0 0 0 0 0 0 0 PRESSAVG: 445100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445100 0 0 0 0 0 0 0 0 0 TIMING: 445100 CPU: 1773.44, 0.00397303/step Wall: 1773.44, 0.00397303/step, 0.0605887 hours remaining, 109.652344 MB of memory in use. ENERGY: 445100 648.3295 1910.9784 2014.8128 100.1446 -14.2275 -1063.1376 160.4840 0.0000 2686.7012 6444.0855 296.7536 3757.3843 6480.6424 297.2719 PRESSURE: 445200 0 0 0 0 0 0 0 0 0 GPRESSURE: 445200 0 0 0 0 0 0 0 0 0 PRESSAVG: 445200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445200 0 0 0 0 0 0 0 0 0 TIMING: 445200 CPU: 1773.83, 0.00398262/step Wall: 1773.83, 0.00398262/step, 0.0606243 hours remaining, 109.652344 MB of memory in use. ENERGY: 445200 652.5546 1832.4207 1991.5070 106.0064 -14.6754 -1035.3040 155.6727 0.0000 2761.8052 6449.9872 305.0491 3688.1820 6483.5231 298.5404 PRESSURE: 445300 0 0 0 0 0 0 0 0 0 GPRESSURE: 445300 0 0 0 0 0 0 0 0 0 PRESSAVG: 445300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445300 0 0 0 0 0 0 0 0 0 TIMING: 445300 CPU: 1774.23, 0.00397003/step Wall: 1774.23, 0.00397003/step, 0.0603224 hours remaining, 109.652344 MB of memory in use. ENERGY: 445300 646.0983 1858.2283 2012.2739 105.2930 -14.0030 -1029.9625 165.2227 0.0000 2704.3223 6447.4730 298.6999 3743.1507 6481.1093 299.7996 PRESSURE: 445400 0 0 0 0 0 0 0 0 0 GPRESSURE: 445400 0 0 0 0 0 0 0 0 0 PRESSAVG: 445400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445400 0 0 0 0 0 0 0 0 0 TIMING: 445400 CPU: 1774.63, 0.00398436/step Wall: 1774.63, 0.00398436/step, 0.0604294 hours remaining, 109.652344 MB of memory in use. ENERGY: 445400 643.5824 1851.9971 2024.0385 99.7766 -13.2416 -1058.8603 166.5156 0.0000 2747.7330 6461.5412 303.4948 3713.8082 6495.2326 297.5502 PRESSURE: 445500 0 0 0 0 0 0 0 0 0 GPRESSURE: 445500 0 0 0 0 0 0 0 0 0 PRESSAVG: 445500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445500 0 0 0 0 0 0 0 0 0 TIMING: 445500 CPU: 1775.03, 0.00396952/step Wall: 1775.03, 0.00396952/step, 0.0600941 hours remaining, 109.652344 MB of memory in use. ENERGY: 445500 702.7800 1878.6927 2008.0874 99.9993 -14.1394 -1051.9534 166.8208 0.0000 2699.9620 6490.2494 298.2183 3790.2874 6524.6457 298.8278 PRESSURE: 445600 0 0 0 0 0 0 0 0 0 GPRESSURE: 445600 0 0 0 0 0 0 0 0 0 PRESSAVG: 445600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445600 0 0 0 0 0 0 0 0 0 TIMING: 445600 CPU: 1775.42, 0.00397046/step Wall: 1775.42, 0.00397046/step, 0.059998 hours remaining, 109.652344 MB of memory in use. ENERGY: 445600 699.2760 1896.1639 2003.6801 107.8209 -13.4193 -1020.2318 152.4138 0.0000 2703.3363 6529.0399 298.5910 3825.7036 6561.5090 301.1246 PRESSURE: 445700 0 0 0 0 0 0 0 0 0 GPRESSURE: 445700 0 0 0 0 0 0 0 0 0 PRESSAVG: 445700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445700 0 0 0 0 0 0 0 0 0 TIMING: 445700 CPU: 1775.82, 0.003981/step Wall: 1775.82, 0.003981/step, 0.0600468 hours remaining, 109.652344 MB of memory in use. ENERGY: 445700 678.4727 1929.2035 2024.3793 102.0242 -14.1776 -1056.1705 164.6610 0.0000 2675.4063 6503.7989 295.5061 3828.3926 6534.4558 303.0183 PRESSURE: 445800 0 0 0 0 0 0 0 0 0 GPRESSURE: 445800 0 0 0 0 0 0 0 0 0 PRESSAVG: 445800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445800 0 0 0 0 0 0 0 0 0 TIMING: 445800 CPU: 1776.22, 0.00397072/step Wall: 1776.22, 0.00397072/step, 0.0597814 hours remaining, 109.652344 MB of memory in use. ENERGY: 445800 671.9436 1852.2641 1998.3020 102.4490 -14.3359 -1035.6951 156.7943 0.0000 2745.2973 6477.0194 303.2257 3731.7221 6512.9667 299.6933 PRESSURE: 445900 0 0 0 0 0 0 0 0 0 GPRESSURE: 445900 0 0 0 0 0 0 0 0 0 PRESSAVG: 445900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 445900 0 0 0 0 0 0 0 0 0 TIMING: 445900 CPU: 1776.62, 0.00398411/step Wall: 1776.62, 0.00398411/step, 0.0598723 hours remaining, 109.652344 MB of memory in use. ENERGY: 445900 632.4313 1843.9852 2043.9777 108.2938 -13.9700 -1043.9043 163.6178 0.0000 2756.3090 6490.7405 304.4420 3734.4315 6527.9471 300.8049 PRESSURE: 446000 0 0 0 0 0 0 0 0 0 GPRESSURE: 446000 0 0 0 0 0 0 0 0 0 PRESSAVG: 446000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446000 0 0 0 0 0 0 0 0 0 TIMING: 446000 CPU: 1777.01, 0.00397014/step Wall: 1777.01, 0.00397014/step, 0.0595521 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 446000 642.4317 1865.3501 2033.3013 104.9473 -14.3378 -1078.3601 165.1375 0.0000 2759.2356 6477.7056 304.7653 3718.4700 6508.3043 300.1137 PRESSURE: 446100 0 0 0 0 0 0 0 0 0 GPRESSURE: 446100 0 0 0 0 0 0 0 0 0 PRESSAVG: 446100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446100 0 0 0 0 0 0 0 0 0 TIMING: 446100 CPU: 1777.41, 0.00397149/step Wall: 1777.41, 0.00397149/step, 0.059462 hours remaining, 109.652344 MB of memory in use. ENERGY: 446100 693.2136 1860.1615 1980.7509 116.9108 -13.2515 -1027.1720 162.4733 0.0000 2732.3654 6505.4520 301.7974 3773.0866 6540.1142 300.5244 PRESSURE: 446200 0 0 0 0 0 0 0 0 0 GPRESSURE: 446200 0 0 0 0 0 0 0 0 0 PRESSAVG: 446200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446200 0 0 0 0 0 0 0 0 0 TIMING: 446200 CPU: 1777.81, 0.00398422/step Wall: 1777.81, 0.00398422/step, 0.059542 hours remaining, 109.652344 MB of memory in use. ENERGY: 446200 657.4545 1909.6784 2024.5789 107.5441 -14.3141 -1002.6123 162.9928 0.0000 2723.6426 6568.9650 300.8339 3845.3224 6603.2442 304.6991 PRESSURE: 446300 0 0 0 0 0 0 0 0 0 GPRESSURE: 446300 0 0 0 0 0 0 0 0 0 PRESSAVG: 446300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446300 0 0 0 0 0 0 0 0 0 TIMING: 446300 CPU: 1778.21, 0.00396871/step Wall: 1778.21, 0.00396871/step, 0.0591999 hours remaining, 109.652344 MB of memory in use. ENERGY: 446300 662.8816 1897.0977 2024.4026 104.9866 -14.6577 -1021.2996 165.5757 0.0000 2771.0316 6590.0185 306.0682 3818.9869 6625.2413 304.5763 PRESSURE: 446400 0 0 0 0 0 0 0 0 0 GPRESSURE: 446400 0 0 0 0 0 0 0 0 0 PRESSAVG: 446400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446400 0 0 0 0 0 0 0 0 0 TIMING: 446400 CPU: 1778.6, 0.00398287/step Wall: 1778.6, 0.00398287/step, 0.0593005 hours remaining, 109.652344 MB of memory in use. ENERGY: 446400 648.8140 1910.0186 2022.3856 106.3081 -13.9771 -1033.1585 156.4852 0.0000 2769.6902 6566.5660 305.9200 3796.8758 6601.2271 305.6560 PRESSURE: 446500 0 0 0 0 0 0 0 0 0 GPRESSURE: 446500 0 0 0 0 0 0 0 0 0 PRESSAVG: 446500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446500 0 0 0 0 0 0 0 0 0 TIMING: 446500 CPU: 1779, 0.00397038/step Wall: 1779, 0.00397038/step, 0.0590043 hours remaining, 109.652344 MB of memory in use. ENERGY: 446500 660.5400 1870.3393 1999.8857 98.2597 -15.5745 -991.1574 149.7211 0.0000 2780.9606 6552.9746 307.1649 3772.0140 6590.8224 304.8267 PRESSURE: 446600 0 0 0 0 0 0 0 0 0 GPRESSURE: 446600 0 0 0 0 0 0 0 0 0 PRESSAVG: 446600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446600 0 0 0 0 0 0 0 0 0 TIMING: 446600 CPU: 1779.4, 0.00397325/step Wall: 1779.4, 0.00397325/step, 0.0589365 hours remaining, 109.652344 MB of memory in use. ENERGY: 446600 601.6725 1974.2789 2015.3046 117.1237 -14.6107 -1035.4921 169.8296 0.0000 2751.9083 6580.0149 303.9559 3828.1066 6614.5841 305.0399 PRESSURE: 446700 0 0 0 0 0 0 0 0 0 GPRESSURE: 446700 0 0 0 0 0 0 0 0 0 PRESSAVG: 446700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446700 0 0 0 0 0 0 0 0 0 TIMING: 446700 CPU: 1779.8, 0.00398172/step Wall: 1779.8, 0.00398172/step, 0.0589516 hours remaining, 109.652344 MB of memory in use. ENERGY: 446700 650.1239 1949.0150 2005.4221 113.0104 -14.4547 -1054.7299 160.3478 0.0000 2809.5422 6618.2768 310.3218 3808.7346 6650.7384 307.4474 PRESSURE: 446800 0 0 0 0 0 0 0 0 0 GPRESSURE: 446800 0 0 0 0 0 0 0 0 0 PRESSAVG: 446800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446800 0 0 0 0 0 0 0 0 0 TIMING: 446800 CPU: 1780.19, 0.00396956/step Wall: 1780.19, 0.00396956/step, 0.0586613 hours remaining, 109.652344 MB of memory in use. ENERGY: 446800 673.3410 1972.6766 2014.5423 104.4448 -15.2446 -1026.8742 155.6919 0.0000 2703.5082 6582.0858 298.6100 3878.5776 6612.5756 306.2678 PRESSURE: 446900 0 0 0 0 0 0 0 0 0 GPRESSURE: 446900 0 0 0 0 0 0 0 0 0 PRESSAVG: 446900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 446900 0 0 0 0 0 0 0 0 0 TIMING: 446900 CPU: 1780.59, 0.00398423/step Wall: 1780.59, 0.00398423/step, 0.0587674 hours remaining, 109.652344 MB of memory in use. ENERGY: 446900 653.7585 1851.1053 2026.2944 116.2911 -14.0703 -1012.2529 173.0119 0.0000 2769.3786 6563.5166 305.8856 3794.1381 6600.0789 304.4133 PRESSURE: 447000 0 0 0 0 0 0 0 0 0 GPRESSURE: 447000 0 0 0 0 0 0 0 0 0 PRESSAVG: 447000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447000 0 0 0 0 0 0 0 0 0 TIMING: 447000 CPU: 1780.99, 0.00397015/step Wall: 1780.99, 0.00397015/step, 0.0584494 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 447000 687.8973 1888.8823 1994.1854 99.8421 -13.6515 -1041.1949 159.3654 0.0000 2744.6659 6519.9922 303.1560 3775.3262 6553.6945 303.4194 PRESSURE: 447100 0 0 0 0 0 0 0 0 0 GPRESSURE: 447100 0 0 0 0 0 0 0 0 0 PRESSAVG: 447100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447100 0 0 0 0 0 0 0 0 0 TIMING: 447100 CPU: 1781.39, 0.00397395/step Wall: 1781.39, 0.00397395/step, 0.058395 hours remaining, 109.652344 MB of memory in use. ENERGY: 447100 622.6404 1905.2983 2000.1543 116.4890 -14.4548 -1032.2486 153.6083 0.0000 2791.4601 6542.9470 308.3245 3751.4869 6578.3434 303.1626 PRESSURE: 447200 0 0 0 0 0 0 0 0 0 GPRESSURE: 447200 0 0 0 0 0 0 0 0 0 PRESSAVG: 447200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447200 0 0 0 0 0 0 0 0 0 TIMING: 447200 CPU: 1781.79, 0.00398578/step Wall: 1781.79, 0.00398578/step, 0.0584581 hours remaining, 109.652344 MB of memory in use. ENERGY: 447200 672.9778 1935.2996 1995.6577 106.5606 -14.4673 -1044.0723 171.8762 0.0000 2679.3169 6503.1494 295.9380 3823.8325 6534.4027 302.1384 PRESSURE: 447300 0 0 0 0 0 0 0 0 0 GPRESSURE: 447300 0 0 0 0 0 0 0 0 0 PRESSAVG: 447300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447300 0 0 0 0 0 0 0 0 0 TIMING: 447300 CPU: 1782.18, 0.00396819/step Wall: 1782.18, 0.00396819/step, 0.0580899 hours remaining, 109.652344 MB of memory in use. ENERGY: 447300 615.7292 1912.4533 2002.0854 108.0621 -14.1931 -1013.3437 163.5141 0.0000 2694.0758 6468.3832 297.5682 3774.3074 6500.1193 299.7386 PRESSURE: 447400 0 0 0 0 0 0 0 0 0 GPRESSURE: 447400 0 0 0 0 0 0 0 0 0 PRESSAVG: 447400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447400 0 0 0 0 0 0 0 0 0 TIMING: 447400 CPU: 1782.58, 0.0039849/step Wall: 1782.58, 0.0039849/step, 0.0582238 hours remaining, 109.652344 MB of memory in use. ENERGY: 447400 645.1435 1927.9821 2020.7839 120.2401 -14.3273 -1044.4625 160.5746 0.0000 2657.6016 6473.5360 293.5395 3815.9343 6503.6844 298.6938 PRESSURE: 447500 0 0 0 0 0 0 0 0 0 GPRESSURE: 447500 0 0 0 0 0 0 0 0 0 PRESSAVG: 447500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447500 0 0 0 0 0 0 0 0 0 TIMING: 447500 CPU: 1782.98, 0.00397011/step Wall: 1782.98, 0.00397011/step, 0.0578974 hours remaining, 109.652344 MB of memory in use. ENERGY: 447500 649.8527 1851.2763 2012.2878 109.7206 -15.1048 -1036.2162 143.8824 0.0000 2754.8713 6470.5702 304.2832 3715.6988 6505.5244 301.0999 PRESSURE: 447600 0 0 0 0 0 0 0 0 0 GPRESSURE: 447600 0 0 0 0 0 0 0 0 0 PRESSAVG: 447600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447600 0 0 0 0 0 0 0 0 0 TIMING: 447600 CPU: 1783.38, 0.00397466/step Wall: 1783.38, 0.00397466/step, 0.0578534 hours remaining, 109.652344 MB of memory in use. ENERGY: 447600 682.9899 1867.3730 1995.5136 106.9887 -14.1848 -1078.6741 159.7440 0.0000 2742.2243 6461.9746 302.8863 3719.7503 6497.6135 298.5658 PRESSURE: 447700 0 0 0 0 0 0 0 0 0 GPRESSURE: 447700 0 0 0 0 0 0 0 0 0 PRESSAVG: 447700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447700 0 0 0 0 0 0 0 0 0 TIMING: 447700 CPU: 1783.77, 0.00398308/step Wall: 1783.77, 0.00398307/step, 0.0578651 hours remaining, 109.652344 MB of memory in use. ENERGY: 447700 649.7813 1849.8600 2004.6374 104.2320 -14.4158 -1040.1645 155.3000 0.0000 2728.5903 6437.8208 301.3804 3709.2306 6474.4983 298.4823 PRESSURE: 447800 0 0 0 0 0 0 0 0 0 GPRESSURE: 447800 0 0 0 0 0 0 0 0 0 PRESSAVG: 447800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447800 0 0 0 0 0 0 0 0 0 TIMING: 447800 CPU: 1784.17, 0.00396924/step Wall: 1784.17, 0.00396925/step, 0.0575541 hours remaining, 109.652344 MB of memory in use. ENERGY: 447800 648.2862 1840.1587 2022.3711 114.6617 -13.2637 -1077.0462 179.3296 0.0000 2716.8013 6431.2989 300.0783 3714.4976 6465.9266 297.0600 PRESSURE: 447900 0 0 0 0 0 0 0 0 0 GPRESSURE: 447900 0 0 0 0 0 0 0 0 0 PRESSAVG: 447900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 447900 0 0 0 0 0 0 0 0 0 TIMING: 447900 CPU: 1784.57, 0.00398502/step Wall: 1784.57, 0.00398502/step, 0.0576721 hours remaining, 109.652344 MB of memory in use. ENERGY: 447900 658.0705 1824.5506 2027.7344 111.7180 -13.6536 -1019.1183 156.5821 0.0000 2663.7099 6409.5936 294.2142 3745.8837 6441.4320 296.4529 PRESSURE: 448000 0 0 0 0 0 0 0 0 0 GPRESSURE: 448000 0 0 0 0 0 0 0 0 0 PRESSAVG: 448000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448000 0 0 0 0 0 0 0 0 0 TIMING: 448000 CPU: 1784.97, 0.0039711/step Wall: 1784.97, 0.0039711/step, 0.0573603 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 448000 628.2330 1823.9613 2034.7446 110.7443 -13.8939 -1024.0587 166.5812 0.0000 2703.2444 6429.5562 298.5809 3726.3119 6462.1990 296.9525 PRESSURE: 448100 0 0 0 0 0 0 0 0 0 GPRESSURE: 448100 0 0 0 0 0 0 0 0 0 PRESSAVG: 448100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448100 0 0 0 0 0 0 0 0 0 TIMING: 448100 CPU: 1785.36, 0.00397213/step Wall: 1785.36, 0.00397212/step, 0.0572647 hours remaining, 109.652344 MB of memory in use. ENERGY: 448100 631.4513 1856.0888 2001.6897 99.8756 -15.1233 -1030.2859 163.3407 0.0000 2718.5054 6425.5423 300.2665 3707.0369 6461.2505 297.9494 PRESSURE: 448200 0 0 0 0 0 0 0 0 0 GPRESSURE: 448200 0 0 0 0 0 0 0 0 0 PRESSAVG: 448200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448200 0 0 0 0 0 0 0 0 0 TIMING: 448200 CPU: 1785.76, 0.00398294/step Wall: 1785.76, 0.00398295/step, 0.0573102 hours remaining, 109.652344 MB of memory in use. ENERGY: 448200 623.0249 1904.7451 1999.9558 97.0806 -14.3730 -1046.2145 167.8571 0.0000 2668.9501 6401.0259 294.7930 3732.0758 6434.8191 296.0980 LDB: ============= START OF LOAD BALANCING ============== 1788.54 LDB: ============== END OF LOAD BALANCING =============== 1788.54 LDB: =============== DONE WITH MIGRATION ================ 1788.54 PRESSURE: 448300 0 0 0 0 0 0 0 0 0 GPRESSURE: 448300 0 0 0 0 0 0 0 0 0 PRESSAVG: 448300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448300 0 0 0 0 0 0 0 0 0 TIMING: 448300 CPU: 1786.16, 0.00397223/step Wall: 1786.16, 0.00397223/step, 0.0570456 hours remaining, 109.652344 MB of memory in use. ENERGY: 448300 633.3963 1893.8457 1997.0363 98.2288 -13.3376 -1021.3397 175.3948 0.0000 2640.0409 6403.2656 291.5999 3763.2247 6433.0598 295.1175 LDB: ============= START OF LOAD BALANCING ============== 1788.94 LDB: ============== END OF LOAD BALANCING =============== 1788.94 LDB: =============== DONE WITH MIGRATION ================ 1788.94 PRESSURE: 448400 0 0 0 0 0 0 0 0 0 GPRESSURE: 448400 0 0 0 0 0 0 0 0 0 PRESSAVG: 448400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448400 0 0 0 0 0 0 0 0 0 TIMING: 448400 CPU: 1786.56, 0.00398927/step Wall: 1786.56, 0.00398927/step, 0.0571795 hours remaining, 109.652344 MB of memory in use. ENERGY: 448400 637.0368 1881.1180 1987.6276 107.3687 -12.8485 -1060.9813 161.4906 0.0000 2677.0068 6377.8187 295.6829 3700.8119 6410.2365 293.4862 PRESSURE: 448500 0 0 0 0 0 0 0 0 0 GPRESSURE: 448500 0 0 0 0 0 0 0 0 0 PRESSAVG: 448500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448500 0 0 0 0 0 0 0 0 0 TIMING: 448500 CPU: 1786.95, 0.0039713/step Wall: 1786.95, 0.0039713/step, 0.0568117 hours remaining, 109.652344 MB of memory in use. ENERGY: 448500 630.8174 1864.7416 2016.1741 109.9773 -14.3027 -1057.9171 165.4061 0.0000 2703.2719 6418.1687 298.5839 3714.8968 6447.7965 296.1037 PRESSURE: 448600 0 0 0 0 0 0 0 0 0 GPRESSURE: 448600 0 0 0 0 0 0 0 0 0 PRESSAVG: 448600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448600 0 0 0 0 0 0 0 0 0 TIMING: 448600 CPU: 1787.35, 0.0039709/step Wall: 1787.35, 0.00397089/step, 0.0566955 hours remaining, 109.652344 MB of memory in use. ENERGY: 448600 631.1545 1889.0462 1983.6469 110.7016 -13.5086 -1043.7009 162.6724 0.0000 2716.0333 6436.0453 299.9934 3720.0121 6470.2305 297.4151 PRESSURE: 448700 0 0 0 0 0 0 0 0 0 GPRESSURE: 448700 0 0 0 0 0 0 0 0 0 PRESSAVG: 448700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448700 0 0 0 0 0 0 0 0 0 TIMING: 448700 CPU: 1787.75, 0.00398387/step Wall: 1787.75, 0.00398388/step, 0.0567703 hours remaining, 109.652344 MB of memory in use. ENERGY: 448700 624.4845 1869.6441 2012.2949 108.0024 -13.4524 -1032.4280 173.3543 0.0000 2655.5491 6397.4489 293.3128 3741.8998 6429.6086 297.0765 PRESSURE: 448800 0 0 0 0 0 0 0 0 0 GPRESSURE: 448800 0 0 0 0 0 0 0 0 0 PRESSAVG: 448800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448800 0 0 0 0 0 0 0 0 0 TIMING: 448800 CPU: 1788.15, 0.0039731/step Wall: 1788.15, 0.0039731/step, 0.0565063 hours remaining, 109.652344 MB of memory in use. ENERGY: 448800 619.2858 1852.8694 1988.7662 107.6705 -13.5123 -1018.6149 159.2468 0.0000 2665.4333 6361.1447 294.4045 3695.7114 6395.1709 293.9632 PRESSURE: 448900 0 0 0 0 0 0 0 0 0 GPRESSURE: 448900 0 0 0 0 0 0 0 0 0 PRESSAVG: 448900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 448900 0 0 0 0 0 0 0 0 0 TIMING: 448900 CPU: 1788.55, 0.00398671/step Wall: 1788.55, 0.00398671/step, 0.0565892 hours remaining, 109.652344 MB of memory in use. ENERGY: 448900 612.3440 1903.8816 1994.5789 93.9957 -14.9983 -1042.4413 168.7927 0.0000 2635.5207 6351.6740 291.1006 3716.1533 6382.8765 293.2643 PRESSURE: 449000 0 0 0 0 0 0 0 0 0 GPRESSURE: 449000 0 0 0 0 0 0 0 0 0 PRESSAVG: 449000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449000 0 0 0 0 0 0 0 0 0 TIMING: 449000 CPU: 1788.94, 0.00397029/step Wall: 1788.94, 0.00397029/step, 0.0562458 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 449000 638.7289 1869.2177 1971.8545 110.3833 -13.6809 -1050.2602 160.8252 0.0000 2673.1934 6360.2620 295.2617 3687.0686 6392.0845 292.7790 PRESSURE: 449100 0 0 0 0 0 0 0 0 0 GPRESSURE: 449100 0 0 0 0 0 0 0 0 0 PRESSAVG: 449100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449100 0 0 0 0 0 0 0 0 0 TIMING: 449100 CPU: 1789.34, 0.00397044/step Wall: 1789.34, 0.00397044/step, 0.0561376 hours remaining, 109.652344 MB of memory in use. ENERGY: 449100 649.5029 1843.7773 2010.2857 105.3798 -14.2771 -1054.5190 181.2657 0.0000 2652.9624 6374.3776 293.0271 3721.4153 6405.0687 293.6954 PRESSURE: 449200 0 0 0 0 0 0 0 0 0 GPRESSURE: 449200 0 0 0 0 0 0 0 0 0 PRESSAVG: 449200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449200 0 0 0 0 0 0 0 0 0 TIMING: 449200 CPU: 1789.74, 0.00398321/step Wall: 1789.74, 0.00398321/step, 0.0562075 hours remaining, 109.652344 MB of memory in use. ENERGY: 449200 629.7703 1818.0809 2022.7194 106.1090 -13.8809 -1059.3291 170.0821 0.0000 2735.5836 6409.1353 302.1528 3673.5517 6443.1706 295.9644 PRESSURE: 449300 0 0 0 0 0 0 0 0 0 GPRESSURE: 449300 0 0 0 0 0 0 0 0 0 PRESSAVG: 449300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449300 0 0 0 0 0 0 0 0 0 TIMING: 449300 CPU: 1790.14, 0.00397077/step Wall: 1790.14, 0.00397077/step, 0.0559217 hours remaining, 109.652344 MB of memory in use. ENERGY: 449300 670.5913 1838.6247 2024.8773 101.4498 -13.5413 -1057.6497 170.3819 0.0000 2716.4472 6451.1812 300.0392 3734.7340 6484.8062 297.6955 PRESSURE: 449400 0 0 0 0 0 0 0 0 0 GPRESSURE: 449400 0 0 0 0 0 0 0 0 0 PRESSAVG: 449400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449400 0 0 0 0 0 0 0 0 0 TIMING: 449400 CPU: 1790.54, 0.00400288/step Wall: 1790.54, 0.00400288/step, 0.0562627 hours remaining, 109.652344 MB of memory in use. ENERGY: 449400 663.6283 1876.6187 1987.7762 101.0878 -13.2410 -1053.5813 175.5348 0.0000 2730.8836 6468.7071 301.6337 3737.8234 6497.9917 298.2918 PRESSURE: 449500 0 0 0 0 0 0 0 0 0 GPRESSURE: 449500 0 0 0 0 0 0 0 0 0 PRESSAVG: 449500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449500 0 0 0 0 0 0 0 0 0 TIMING: 449500 CPU: 1790.93, 0.00397419/step Wall: 1790.93, 0.00397419/step, 0.0557491 hours remaining, 109.652344 MB of memory in use. ENERGY: 449500 654.6440 1876.1653 2004.1266 105.8660 -13.7106 -1059.9563 162.4759 0.0000 2707.9579 6437.5689 299.1015 3729.6110 6472.1328 296.9691 PRESSURE: 449600 0 0 0 0 0 0 0 0 0 GPRESSURE: 449600 0 0 0 0 0 0 0 0 0 PRESSAVG: 449600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449600 0 0 0 0 0 0 0 0 0 TIMING: 449600 CPU: 1791.33, 0.00397061/step Wall: 1791.33, 0.00397061/step, 0.0555886 hours remaining, 109.652344 MB of memory in use. ENERGY: 449600 635.0621 1858.4222 2021.6473 100.8367 -13.2236 -1068.5244 157.9140 0.0000 2740.6399 6432.7742 302.7113 3692.1343 6468.5634 298.0738 PRESSURE: 449700 0 0 0 0 0 0 0 0 0 GPRESSURE: 449700 0 0 0 0 0 0 0 0 0 PRESSAVG: 449700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449700 0 0 0 0 0 0 0 0 0 TIMING: 449700 CPU: 1791.73, 0.00397971/step Wall: 1791.73, 0.00397971/step, 0.0556054 hours remaining, 109.652344 MB of memory in use. ENERGY: 449700 695.0624 1830.7196 2048.7236 94.9606 -14.1107 -1039.2491 155.8818 0.0000 2663.3231 6435.3113 294.1715 3771.9881 6467.4910 295.4581 PRESSURE: 449800 0 0 0 0 0 0 0 0 0 GPRESSURE: 449800 0 0 0 0 0 0 0 0 0 PRESSAVG: 449800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449800 0 0 0 0 0 0 0 0 0 TIMING: 449800 CPU: 1792.13, 0.00396915/step Wall: 1792.13, 0.00396915/step, 0.0553476 hours remaining, 109.652344 MB of memory in use. ENERGY: 449800 645.9095 1792.0491 2029.1397 104.2502 -14.8834 -1011.6591 170.4238 0.0000 2708.5465 6423.7762 299.1665 3715.2297 6459.2193 297.1605 PRESSURE: 449900 0 0 0 0 0 0 0 0 0 GPRESSURE: 449900 0 0 0 0 0 0 0 0 0 PRESSAVG: 449900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 449900 0 0 0 0 0 0 0 0 0 TIMING: 449900 CPU: 1792.52, 0.00397114/step Wall: 1792.52, 0.00397114/step, 0.055265 hours remaining, 109.652344 MB of memory in use. ENERGY: 449900 623.3996 1813.4175 2014.0790 106.8791 -13.6164 -1022.1549 185.0443 0.0000 2707.7000 6414.7483 299.0730 3707.0482 6446.1508 298.0471 PRESSURE: 450000 0 0 0 0 0 0 0 0 0 GPRESSURE: 450000 0 0 0 0 0 0 0 0 0 PRESSAVG: 450000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450000 0 0 0 0 0 0 0 0 0 TIMING: 450000 CPU: 1792.92, 0.0039816/step Wall: 1792.92, 0.0039816/step, 0.0553 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 450000 657.3192 1806.4166 2014.6024 98.1534 -13.8175 -1041.5687 170.3129 0.0000 2677.8364 6369.2546 295.7745 3691.4182 6402.6224 294.7881 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 450000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 450000 WRITING COORDINATES TO RESTART FILE AT STEP 450000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 450000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 450100 0 0 0 0 0 0 0 0 0 GPRESSURE: 450100 0 0 0 0 0 0 0 0 0 PRESSAVG: 450100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450100 0 0 0 0 0 0 0 0 0 TIMING: 450100 CPU: 1793.35, 0.00431915/step Wall: 1793.35, 0.00431915/step, 0.0598682 hours remaining, 109.652344 MB of memory in use. ENERGY: 450100 636.4565 1895.8581 1996.6512 108.5214 -14.3736 -1083.6239 155.5099 0.0000 2696.7952 6391.7947 297.8685 3694.9996 6422.4633 295.2215 PRESSURE: 450200 0 0 0 0 0 0 0 0 0 GPRESSURE: 450200 0 0 0 0 0 0 0 0 0 PRESSAVG: 450200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450200 0 0 0 0 0 0 0 0 0 TIMING: 450200 CPU: 1793.75, 0.00398224/step Wall: 1793.75, 0.00398224/step, 0.0550876 hours remaining, 109.652344 MB of memory in use. ENERGY: 450200 652.7616 1793.1488 1998.4645 99.4848 -13.2268 -1014.6494 160.4831 0.0000 2661.9676 6338.4343 294.0217 3676.4667 6371.3599 292.2202 PRESSURE: 450300 0 0 0 0 0 0 0 0 0 GPRESSURE: 450300 0 0 0 0 0 0 0 0 0 PRESSAVG: 450300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450300 0 0 0 0 0 0 0 0 0 TIMING: 450300 CPU: 1794.15, 0.00396897/step Wall: 1794.15, 0.00396897/step, 0.0547938 hours remaining, 109.652344 MB of memory in use. ENERGY: 450300 664.5347 1810.1186 1993.2253 105.6147 -13.1143 -1047.3034 176.9629 0.0000 2669.8862 6359.9247 294.8964 3690.0385 6393.0429 292.4531 PRESSURE: 450400 0 0 0 0 0 0 0 0 0 GPRESSURE: 450400 0 0 0 0 0 0 0 0 0 PRESSAVG: 450400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450400 0 0 0 0 0 0 0 0 0 TIMING: 450400 CPU: 1794.55, 0.00398089/step Wall: 1794.55, 0.00398089/step, 0.0548478 hours remaining, 109.652344 MB of memory in use. ENERGY: 450400 638.6388 1845.1855 1997.1031 103.9105 -13.4844 -1029.2496 166.6926 0.0000 2649.7105 6358.5070 292.6679 3708.7965 6391.8697 293.4565 PRESSURE: 450500 0 0 0 0 0 0 0 0 0 GPRESSURE: 450500 0 0 0 0 0 0 0 0 0 PRESSAVG: 450500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450500 0 0 0 0 0 0 0 0 0 TIMING: 450500 CPU: 1794.94, 0.0039724/step Wall: 1794.94, 0.0039724/step, 0.0546205 hours remaining, 109.652344 MB of memory in use. ENERGY: 450500 638.5107 1858.4974 1998.4847 108.4551 -14.8958 -1039.1932 171.6589 0.0000 2632.1252 6353.6429 290.7256 3721.5177 6382.2782 294.4271 PRESSURE: 450600 0 0 0 0 0 0 0 0 0 GPRESSURE: 450600 0 0 0 0 0 0 0 0 0 PRESSAVG: 450600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450600 0 0 0 0 0 0 0 0 0 TIMING: 450600 CPU: 1795.34, 0.00397374/step Wall: 1795.34, 0.00397374/step, 0.0545285 hours remaining, 109.652344 MB of memory in use. ENERGY: 450600 633.2760 1859.5027 1998.1952 111.5972 -13.5211 -1048.2873 163.9998 0.0000 2675.1587 6379.9213 295.4787 3704.7626 6413.7604 293.9631 PRESSURE: 450700 0 0 0 0 0 0 0 0 0 GPRESSURE: 450700 0 0 0 0 0 0 0 0 0 PRESSAVG: 450700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450700 0 0 0 0 0 0 0 0 0 TIMING: 450700 CPU: 1795.74, 0.00398024/step Wall: 1795.74, 0.00398024/step, 0.0545072 hours remaining, 109.652344 MB of memory in use. ENERGY: 450700 638.9060 1877.9843 1994.6061 100.4501 -14.5605 -1020.4344 152.7791 0.0000 2699.0994 6428.8301 298.1230 3729.7307 6460.3270 296.7859 PRESSURE: 450800 0 0 0 0 0 0 0 0 0 GPRESSURE: 450800 0 0 0 0 0 0 0 0 0 PRESSAVG: 450800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450800 0 0 0 0 0 0 0 0 0 TIMING: 450800 CPU: 1796.14, 0.00396859/step Wall: 1796.14, 0.00396859/step, 0.0542374 hours remaining, 109.652344 MB of memory in use. ENERGY: 450800 639.5078 1843.3303 2012.5074 112.4792 -13.5339 -1054.2385 180.0895 0.0000 2703.7494 6423.8912 298.6367 3720.1418 6457.7383 297.3867 PRESSURE: 450900 0 0 0 0 0 0 0 0 0 GPRESSURE: 450900 0 0 0 0 0 0 0 0 0 PRESSAVG: 450900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 450900 0 0 0 0 0 0 0 0 0 TIMING: 450900 CPU: 1796.53, 0.00397475/step Wall: 1796.53, 0.00397475/step, 0.0542112 hours remaining, 109.652344 MB of memory in use. ENERGY: 450900 627.7846 1855.5870 1990.8841 101.1642 -14.1494 -1021.0749 146.7550 0.0000 2703.7921 6390.7428 298.6414 3686.9507 6423.3669 296.8559 PRESSURE: 451000 0 0 0 0 0 0 0 0 0 GPRESSURE: 451000 0 0 0 0 0 0 0 0 0 PRESSAVG: 451000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451000 0 0 0 0 0 0 0 0 0 TIMING: 451000 CPU: 1796.93, 0.00397685/step Wall: 1796.93, 0.00397685/step, 0.0541294 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 451000 651.6736 1871.6008 2008.6142 97.2173 -14.1376 -1009.0662 169.2738 0.0000 2636.7255 6411.9013 291.2337 3775.1758 6441.2533 296.4274 PRESSURE: 451100 0 0 0 0 0 0 0 0 0 GPRESSURE: 451100 0 0 0 0 0 0 0 0 0 PRESSAVG: 451100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451100 0 0 0 0 0 0 0 0 0 TIMING: 451100 CPU: 1797.33, 0.00397103/step Wall: 1797.33, 0.00397103/step, 0.0539398 hours remaining, 109.652344 MB of memory in use. ENERGY: 451100 670.8851 1895.0816 2000.7244 97.9736 -14.5605 -1068.6694 167.8905 0.0000 2655.5056 6404.8307 293.3080 3749.3251 6434.7053 295.4196 PRESSURE: 451200 0 0 0 0 0 0 0 0 0 GPRESSURE: 451200 0 0 0 0 0 0 0 0 0 PRESSAVG: 451200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451200 0 0 0 0 0 0 0 0 0 TIMING: 451200 CPU: 1797.73, 0.00398029/step Wall: 1797.73, 0.00398029/step, 0.0539551 hours remaining, 109.652344 MB of memory in use. ENERGY: 451200 650.3920 1860.8809 1989.8157 98.0634 -13.9182 -1024.2170 168.8806 0.0000 2659.3488 6389.2462 293.7325 3729.8974 6423.1815 294.9942 PRESSURE: 451300 0 0 0 0 0 0 0 0 0 GPRESSURE: 451300 0 0 0 0 0 0 0 0 0 PRESSAVG: 451300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451300 0 0 0 0 0 0 0 0 0 TIMING: 451300 CPU: 1798.12, 0.00397123/step Wall: 1798.12, 0.00397123/step, 0.0537219 hours remaining, 109.652344 MB of memory in use. ENERGY: 451300 670.1743 1897.9995 2023.6399 95.6201 -14.5703 -1053.2776 157.8546 0.0000 2643.4713 6420.9119 291.9788 3777.4406 6453.7131 296.7016 PRESSURE: 451400 0 0 0 0 0 0 0 0 0 GPRESSURE: 451400 0 0 0 0 0 0 0 0 0 PRESSAVG: 451400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451400 0 0 0 0 0 0 0 0 0 TIMING: 451400 CPU: 1798.52, 0.00397046/step Wall: 1798.52, 0.00397046/step, 0.0536012 hours remaining, 109.652344 MB of memory in use. ENERGY: 451400 627.2849 1872.9218 2013.3246 106.1869 -14.4914 -1047.3874 160.9040 0.0000 2706.2354 6424.9789 298.9112 3718.7435 6457.7309 295.8648 PRESSURE: 451500 0 0 0 0 0 0 0 0 0 GPRESSURE: 451500 0 0 0 0 0 0 0 0 0 PRESSAVG: 451500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451500 0 0 0 0 0 0 0 0 0 TIMING: 451500 CPU: 1798.92, 0.00397983/step Wall: 1798.92, 0.00397983/step, 0.0536172 hours remaining, 109.652344 MB of memory in use. ENERGY: 451500 643.3928 1895.7512 2001.6586 106.9114 -15.6515 -1066.6951 155.3869 0.0000 2714.2970 6435.0514 299.8017 3720.7544 6466.2368 297.8057 PRESSURE: 451600 0 0 0 0 0 0 0 0 0 GPRESSURE: 451600 0 0 0 0 0 0 0 0 0 PRESSAVG: 451600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451600 0 0 0 0 0 0 0 0 0 TIMING: 451600 CPU: 1799.32, 0.0039719/step Wall: 1799.32, 0.00397189/step, 0.0533998 hours remaining, 109.652344 MB of memory in use. ENERGY: 451600 668.1441 1796.1554 2028.2331 100.7653 -13.4242 -1007.9889 151.9057 0.0000 2714.7927 6438.5833 299.8564 3723.7905 6469.3009 297.8867 PRESSURE: 451700 0 0 0 0 0 0 0 0 0 GPRESSURE: 451700 0 0 0 0 0 0 0 0 0 PRESSAVG: 451700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451700 0 0 0 0 0 0 0 0 0 TIMING: 451700 CPU: 1799.71, 0.0039822/step Wall: 1799.71, 0.00398221/step, 0.053428 hours remaining, 109.652344 MB of memory in use. ENERGY: 451700 619.6519 1864.3470 1991.1500 96.8502 -14.5444 -1020.9973 158.9707 0.0000 2757.5024 6452.9305 304.5738 3695.4281 6490.1528 297.7056 PRESSURE: 451800 0 0 0 0 0 0 0 0 0 GPRESSURE: 451800 0 0 0 0 0 0 0 0 0 PRESSAVG: 451800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451800 0 0 0 0 0 0 0 0 0 TIMING: 451800 CPU: 1800.11, 0.00397056/step Wall: 1800.11, 0.00397056/step, 0.0531614 hours remaining, 109.652344 MB of memory in use. ENERGY: 451800 674.8833 1852.5971 1996.7987 111.0082 -15.3839 -1032.7482 144.1690 0.0000 2758.8242 6490.1484 304.7198 3731.3242 6524.7120 300.9561 PRESSURE: 451900 0 0 0 0 0 0 0 0 0 GPRESSURE: 451900 0 0 0 0 0 0 0 0 0 PRESSAVG: 451900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 451900 0 0 0 0 0 0 0 0 0 TIMING: 451900 CPU: 1800.51, 0.00397244/step Wall: 1800.51, 0.00397244/step, 0.0530762 hours remaining, 109.652344 MB of memory in use. ENERGY: 451900 662.8669 1854.4065 2021.1646 117.9139 -15.5396 -1002.7977 158.6599 0.0000 2731.3068 6527.9813 301.6804 3796.6745 6559.3247 301.3857 PRESSURE: 452000 0 0 0 0 0 0 0 0 0 GPRESSURE: 452000 0 0 0 0 0 0 0 0 0 PRESSAVG: 452000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452000 0 0 0 0 0 0 0 0 0 TIMING: 452000 CPU: 1800.91, 0.00398038/step Wall: 1800.91, 0.00398038/step, 0.0530717 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 452000 670.1355 1854.4032 2026.5448 106.1986 -15.8554 -1023.5183 156.0810 0.0000 2755.2843 6529.2736 304.3288 3773.9893 6562.4908 302.1002 PRESSURE: 452100 0 0 0 0 0 0 0 0 0 GPRESSURE: 452100 0 0 0 0 0 0 0 0 0 PRESSAVG: 452100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452100 0 0 0 0 0 0 0 0 0 TIMING: 452100 CPU: 1801.3, 0.00397311/step Wall: 1801.3, 0.00397311/step, 0.0528645 hours remaining, 109.652344 MB of memory in use. ENERGY: 452100 640.0110 1928.7044 2063.0631 115.2262 -14.2945 -1052.3753 149.8405 0.0000 2720.4779 6550.6534 300.4844 3830.1754 6581.4862 302.5683 PRESSURE: 452200 0 0 0 0 0 0 0 0 0 GPRESSURE: 452200 0 0 0 0 0 0 0 0 0 PRESSAVG: 452200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452200 0 0 0 0 0 0 0 0 0 TIMING: 452200 CPU: 1801.7, 0.00398181/step Wall: 1801.7, 0.00398181/step, 0.0528696 hours remaining, 109.652344 MB of memory in use. ENERGY: 452200 679.6120 1935.3215 2034.3402 106.7893 -14.9719 -1058.8811 172.3636 0.0000 2731.2858 6585.8593 301.6781 3854.5736 6617.9695 305.3188 LDB: ============= START OF LOAD BALANCING ============== 1804.48 LDB: ============== END OF LOAD BALANCING =============== 1804.48 LDB: =============== DONE WITH MIGRATION ================ 1804.48 PRESSURE: 452300 0 0 0 0 0 0 0 0 0 GPRESSURE: 452300 0 0 0 0 0 0 0 0 0 PRESSAVG: 452300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452300 0 0 0 0 0 0 0 0 0 TIMING: 452300 CPU: 1802.1, 0.00396966/step Wall: 1802.1, 0.00396966/step, 0.052598 hours remaining, 109.652344 MB of memory in use. ENERGY: 452300 670.9130 1898.7291 2031.3266 103.2035 -13.7896 -1046.8487 165.7131 0.0000 2762.7336 6571.9805 305.1516 3809.2469 6605.6388 305.4925 LDB: ============= START OF LOAD BALANCING ============== 1804.87 LDB: ============== END OF LOAD BALANCING =============== 1804.87 LDB: =============== DONE WITH MIGRATION ================ 1804.87 PRESSURE: 452400 0 0 0 0 0 0 0 0 0 GPRESSURE: 452400 0 0 0 0 0 0 0 0 0 PRESSAVG: 452400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452400 0 0 0 0 0 0 0 0 0 TIMING: 452400 CPU: 1802.5, 0.00397777/step Wall: 1802.5, 0.00397777/step, 0.0525949 hours remaining, 109.652344 MB of memory in use. ENERGY: 452400 633.5265 1934.2956 2034.4915 112.1646 -13.4143 -1047.8707 164.0095 0.0000 2751.2216 6568.4244 303.8801 3817.2028 6599.9886 305.5521 PRESSURE: 452500 0 0 0 0 0 0 0 0 0 GPRESSURE: 452500 0 0 0 0 0 0 0 0 0 PRESSAVG: 452500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452500 0 0 0 0 0 0 0 0 0 TIMING: 452500 CPU: 1802.89, 0.00398188/step Wall: 1802.89, 0.00398188/step, 0.0525387 hours remaining, 109.652344 MB of memory in use. ENERGY: 452500 649.7394 1875.7199 1997.9935 95.2767 -14.2451 -1034.5390 155.9949 0.0000 2801.4521 6527.3926 309.4282 3725.9404 6562.6422 303.4729 PRESSURE: 452600 0 0 0 0 0 0 0 0 0 GPRESSURE: 452600 0 0 0 0 0 0 0 0 0 PRESSAVG: 452600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452600 0 0 0 0 0 0 0 0 0 TIMING: 452600 CPU: 1803.29, 0.00397214/step Wall: 1803.29, 0.00397214/step, 0.0522998 hours remaining, 109.652344 MB of memory in use. ENERGY: 452600 652.0928 1862.7233 2015.6385 106.9128 -13.6425 -1015.7006 170.9131 0.0000 2731.8816 6510.8190 301.7439 3778.9374 6544.8361 304.0786 PRESSURE: 452700 0 0 0 0 0 0 0 0 0 GPRESSURE: 452700 0 0 0 0 0 0 0 0 0 PRESSAVG: 452700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452700 0 0 0 0 0 0 0 0 0 TIMING: 452700 CPU: 1803.69, 0.00398184/step Wall: 1803.69, 0.00398184/step, 0.052317 hours remaining, 109.652344 MB of memory in use. ENERGY: 452700 651.9676 1908.2833 2003.8076 110.2738 -13.8862 -1022.1688 169.4212 0.0000 2718.6336 6526.3319 300.2807 3807.6983 6560.1584 302.5115 PRESSURE: 452800 0 0 0 0 0 0 0 0 0 GPRESSURE: 452800 0 0 0 0 0 0 0 0 0 PRESSAVG: 452800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452800 0 0 0 0 0 0 0 0 0 TIMING: 452800 CPU: 1804.09, 0.00397089/step Wall: 1804.09, 0.00397089/step, 0.0520628 hours remaining, 109.652344 MB of memory in use. ENERGY: 452800 638.6523 1872.3291 2033.0177 109.1491 -14.3758 -1040.7977 169.1070 0.0000 2739.9938 6507.0756 302.6400 3767.0817 6544.3334 302.8247 PRESSURE: 452900 0 0 0 0 0 0 0 0 0 GPRESSURE: 452900 0 0 0 0 0 0 0 0 0 PRESSAVG: 452900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 452900 0 0 0 0 0 0 0 0 0 TIMING: 452900 CPU: 1804.48, 0.00397148/step Wall: 1804.48, 0.00397148/step, 0.0519602 hours remaining, 109.652344 MB of memory in use. ENERGY: 452900 671.5935 1917.8136 1985.9174 104.4091 -14.2881 -1030.6401 169.2064 0.0000 2732.8197 6536.8315 301.8475 3804.0118 6571.2481 302.1425 PRESSURE: 453000 0 0 0 0 0 0 0 0 0 GPRESSURE: 453000 0 0 0 0 0 0 0 0 0 PRESSAVG: 453000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453000 0 0 0 0 0 0 0 0 0 TIMING: 453000 CPU: 1804.88, 0.00398023/step Wall: 1804.88, 0.00398023/step, 0.0519641 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 453000 659.4005 1906.4903 2016.7291 101.0586 -14.3798 -1045.0727 171.7371 0.0000 2728.4343 6524.3974 301.3632 3795.9631 6556.0605 303.4196 PRESSURE: 453100 0 0 0 0 0 0 0 0 0 GPRESSURE: 453100 0 0 0 0 0 0 0 0 0 PRESSAVG: 453100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453100 0 0 0 0 0 0 0 0 0 TIMING: 453100 CPU: 1805.28, 0.00397291/step Wall: 1805.28, 0.00397291/step, 0.0517582 hours remaining, 109.652344 MB of memory in use. ENERGY: 453100 684.3850 1859.2805 2009.3485 107.6731 -14.5625 -1055.4359 163.5450 0.0000 2765.3599 6519.5937 305.4417 3754.2338 6554.5335 303.0128 PRESSURE: 453200 0 0 0 0 0 0 0 0 0 GPRESSURE: 453200 0 0 0 0 0 0 0 0 0 PRESSAVG: 453200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453200 0 0 0 0 0 0 0 0 0 TIMING: 453200 CPU: 1805.68, 0.00398144/step Wall: 1805.68, 0.00398144/step, 0.0517587 hours remaining, 109.652344 MB of memory in use. ENERGY: 453200 665.6211 1871.0767 1997.4161 104.3636 -15.3283 -1035.2681 153.5949 0.0000 2753.8827 6495.3585 304.1740 3741.4758 6526.8087 301.7652 PRESSURE: 453300 0 0 0 0 0 0 0 0 0 GPRESSURE: 453300 0 0 0 0 0 0 0 0 0 PRESSAVG: 453300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453300 0 0 0 0 0 0 0 0 0 TIMING: 453300 CPU: 1806.07, 0.00397098/step Wall: 1806.07, 0.00397098/step, 0.0515124 hours remaining, 109.652344 MB of memory in use. ENERGY: 453300 670.0765 1867.0451 2010.2008 101.4130 -13.5783 -1003.8272 167.6223 0.0000 2738.3779 6537.3301 302.4615 3798.9522 6570.0373 302.5050 PRESSURE: 453400 0 0 0 0 0 0 0 0 0 GPRESSURE: 453400 0 0 0 0 0 0 0 0 0 PRESSAVG: 453400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453400 0 0 0 0 0 0 0 0 0 TIMING: 453400 CPU: 1806.47, 0.00397259/step Wall: 1806.47, 0.00397259/step, 0.051423 hours remaining, 109.652344 MB of memory in use. ENERGY: 453400 643.1282 1869.3839 2027.4044 99.3577 -13.5719 -1029.6383 146.5158 0.0000 2730.6057 6473.1854 301.6030 3742.5797 6506.0852 300.3193 PRESSURE: 453500 0 0 0 0 0 0 0 0 0 GPRESSURE: 453500 0 0 0 0 0 0 0 0 0 PRESSAVG: 453500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453500 0 0 0 0 0 0 0 0 0 TIMING: 453500 CPU: 1806.87, 0.00398308/step Wall: 1806.87, 0.00398308/step, 0.0514481 hours remaining, 109.652344 MB of memory in use. ENERGY: 453500 681.6580 1895.4015 2010.6140 108.7285 -13.3913 -1056.6428 162.9835 0.0000 2686.0233 6475.3747 296.6788 3789.3514 6507.9843 299.6083 PRESSURE: 453600 0 0 0 0 0 0 0 0 0 GPRESSURE: 453600 0 0 0 0 0 0 0 0 0 PRESSAVG: 453600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453600 0 0 0 0 0 0 0 0 0 TIMING: 453600 CPU: 1807.27, 0.00397199/step Wall: 1807.27, 0.00397199/step, 0.0511945 hours remaining, 109.652344 MB of memory in use. ENERGY: 453600 634.1163 1841.0729 2012.6106 116.4011 -13.8802 -1032.2409 160.1604 0.0000 2709.8390 6428.0793 299.3093 3718.2403 6461.0515 299.1269 PRESSURE: 453700 0 0 0 0 0 0 0 0 0 GPRESSURE: 453700 0 0 0 0 0 0 0 0 0 PRESSAVG: 453700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453700 0 0 0 0 0 0 0 0 0 TIMING: 453700 CPU: 1807.67, 0.00398422/step Wall: 1807.67, 0.00398422/step, 0.0512415 hours remaining, 109.652344 MB of memory in use. ENERGY: 453700 651.3660 1906.5893 2008.9654 116.0113 -15.6283 -1074.2335 162.3743 0.0000 2664.7238 6420.1682 294.3262 3755.4444 6453.7964 297.4150 PRESSURE: 453800 0 0 0 0 0 0 0 0 0 GPRESSURE: 453800 0 0 0 0 0 0 0 0 0 PRESSAVG: 453800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453800 0 0 0 0 0 0 0 0 0 TIMING: 453800 CPU: 1808.06, 0.00396983/step Wall: 1808.06, 0.00396983/step, 0.0509461 hours remaining, 109.652344 MB of memory in use. ENERGY: 453800 615.5790 1846.6797 2017.1582 108.0244 -14.5439 -1024.1599 160.7647 0.0000 2681.9541 6391.4562 296.2293 3709.5021 6425.3408 295.5933 PRESSURE: 453900 0 0 0 0 0 0 0 0 0 GPRESSURE: 453900 0 0 0 0 0 0 0 0 0 PRESSAVG: 453900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 453900 0 0 0 0 0 0 0 0 0 TIMING: 453900 CPU: 1808.46, 0.00396932/step Wall: 1808.46, 0.00396932/step, 0.0508294 hours remaining, 109.652344 MB of memory in use. ENERGY: 453900 660.1633 1863.2916 1988.0978 102.4671 -15.3253 -1060.4346 143.7661 0.0000 2697.3990 6379.4250 297.9352 3682.0260 6412.8700 294.9756 PRESSURE: 454000 0 0 0 0 0 0 0 0 0 GPRESSURE: 454000 0 0 0 0 0 0 0 0 0 PRESSAVG: 454000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454000 0 0 0 0 0 0 0 0 0 TIMING: 454000 CPU: 1808.86, 0.00398397/step Wall: 1808.86, 0.00398397/step, 0.0509063 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 454000 648.1889 1874.2580 1993.1910 105.4626 -14.8131 -1061.6840 166.1892 0.0000 2679.6612 6390.4537 295.9760 3710.7925 6421.7804 295.2918 PRESSURE: 454100 0 0 0 0 0 0 0 0 0 GPRESSURE: 454100 0 0 0 0 0 0 0 0 0 PRESSAVG: 454100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454100 0 0 0 0 0 0 0 0 0 TIMING: 454100 CPU: 1809.25, 0.00397112/step Wall: 1809.25, 0.00397112/step, 0.0506318 hours remaining, 109.652344 MB of memory in use. ENERGY: 454100 670.2356 1852.1365 2021.2709 116.5963 -15.9103 -1018.8983 159.3039 0.0000 2640.3822 6425.1169 291.6376 3784.7346 6453.5256 297.2197 PRESSURE: 454200 0 0 0 0 0 0 0 0 0 GPRESSURE: 454200 0 0 0 0 0 0 0 0 0 PRESSAVG: 454200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454200 0 0 0 0 0 0 0 0 0 TIMING: 454200 CPU: 1809.65, 0.00398246/step Wall: 1809.65, 0.00398245/step, 0.0506656 hours remaining, 109.652344 MB of memory in use. ENERGY: 454200 667.2038 1816.4003 2010.1030 100.0621 -15.6027 -1058.5557 164.6368 0.0000 2766.5637 6450.8112 305.5747 3684.2475 6487.2302 297.7534 PRESSURE: 454300 0 0 0 0 0 0 0 0 0 GPRESSURE: 454300 0 0 0 0 0 0 0 0 0 PRESSAVG: 454300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454300 0 0 0 0 0 0 0 0 0 TIMING: 454300 CPU: 1810.05, 0.00397036/step Wall: 1810.05, 0.00397037/step, 0.0504016 hours remaining, 109.652344 MB of memory in use. ENERGY: 454300 660.8514 1892.1755 2010.9785 98.3365 -15.2368 -1038.7872 176.3322 0.0000 2657.6458 6442.2957 293.5444 3784.6500 6474.9374 297.6445 PRESSURE: 454400 0 0 0 0 0 0 0 0 0 GPRESSURE: 454400 0 0 0 0 0 0 0 0 0 PRESSAVG: 454400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454400 0 0 0 0 0 0 0 0 0 TIMING: 454400 CPU: 1810.45, 0.00397185/step Wall: 1810.45, 0.00397185/step, 0.0503101 hours remaining, 109.652344 MB of memory in use. ENERGY: 454400 652.3920 1863.2119 2041.1392 121.0156 -14.3295 -1028.2574 172.0048 0.0000 2656.2080 6463.3846 293.3856 3807.1767 6495.0028 297.5344 PRESSURE: 454500 0 0 0 0 0 0 0 0 0 GPRESSURE: 454500 0 0 0 0 0 0 0 0 0 PRESSAVG: 454500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454500 0 0 0 0 0 0 0 0 0 TIMING: 454500 CPU: 1810.85, 0.00398587/step Wall: 1810.85, 0.00398587/step, 0.050377 hours remaining, 109.652344 MB of memory in use. ENERGY: 454500 648.7856 1875.5596 2011.8176 99.8173 -14.2764 -1002.6891 164.9581 0.0000 2702.6759 6486.6487 298.5181 3783.9727 6518.7729 299.4258 PRESSURE: 454600 0 0 0 0 0 0 0 0 0 GPRESSURE: 454600 0 0 0 0 0 0 0 0 0 PRESSAVG: 454600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454600 0 0 0 0 0 0 0 0 0 TIMING: 454600 CPU: 1811.24, 0.00396956/step Wall: 1811.24, 0.00396956/step, 0.0500606 hours remaining, 109.652344 MB of memory in use. ENERGY: 454600 648.4535 1865.0120 2045.7066 113.2671 -14.1019 -992.2399 159.9404 0.0000 2671.3693 6497.4072 295.0602 3826.0378 6530.9307 300.2290 PRESSURE: 454700 0 0 0 0 0 0 0 0 0 GPRESSURE: 454700 0 0 0 0 0 0 0 0 0 PRESSAVG: 454700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454700 0 0 0 0 0 0 0 0 0 TIMING: 454700 CPU: 1811.64, 0.00400273/step Wall: 1811.64, 0.00400273/step, 0.0503677 hours remaining, 109.652344 MB of memory in use. ENERGY: 454700 639.2232 1837.0267 2039.2344 117.3327 -13.9797 -1020.7716 168.3609 0.0000 2718.9458 6485.3725 300.3151 3766.4266 6519.4324 300.1294 PRESSURE: 454800 0 0 0 0 0 0 0 0 0 GPRESSURE: 454800 0 0 0 0 0 0 0 0 0 PRESSAVG: 454800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454800 0 0 0 0 0 0 0 0 0 TIMING: 454800 CPU: 1812.04, 0.00397375/step Wall: 1812.04, 0.00397375/step, 0.0498927 hours remaining, 109.652344 MB of memory in use. ENERGY: 454800 671.6130 1867.9105 2012.2514 100.5863 -15.4688 -1033.8481 165.6104 0.0000 2723.5213 6492.1760 300.8205 3768.6547 6524.1346 301.1437 PRESSURE: 454900 0 0 0 0 0 0 0 0 0 GPRESSURE: 454900 0 0 0 0 0 0 0 0 0 PRESSAVG: 454900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 454900 0 0 0 0 0 0 0 0 0 TIMING: 454900 CPU: 1812.44, 0.00397455/step Wall: 1812.44, 0.00397455/step, 0.0497923 hours remaining, 109.652344 MB of memory in use. ENERGY: 454900 674.4932 1875.7269 2026.0125 107.3812 -14.7431 -1072.8077 178.5309 0.0000 2693.8089 6468.4028 297.5387 3774.5940 6501.8008 299.4401 PRESSURE: 455000 0 0 0 0 0 0 0 0 0 GPRESSURE: 455000 0 0 0 0 0 0 0 0 0 PRESSAVG: 455000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455000 0 0 0 0 0 0 0 0 0 TIMING: 455000 CPU: 1812.84, 0.00398676/step Wall: 1812.84, 0.00398676/step, 0.0498345 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 455000 670.4569 1912.8103 2029.3157 95.6677 -15.1709 -1041.8347 156.4871 0.0000 2698.1766 6505.9086 298.0211 3807.7320 6538.4623 299.3305 PRESSURE: 455100 0 0 0 0 0 0 0 0 0 GPRESSURE: 455100 0 0 0 0 0 0 0 0 0 PRESSAVG: 455100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455100 0 0 0 0 0 0 0 0 0 TIMING: 455100 CPU: 1813.23, 0.00397589/step Wall: 1813.23, 0.00397589/step, 0.0495882 hours remaining, 109.652344 MB of memory in use. ENERGY: 455100 653.9265 1863.8444 2030.3813 106.8948 -14.1505 -998.3283 164.5943 0.0000 2739.1559 6546.3184 302.5474 3807.1625 6576.3857 301.6536 PRESSURE: 455200 0 0 0 0 0 0 0 0 0 GPRESSURE: 455200 0 0 0 0 0 0 0 0 0 PRESSAVG: 455200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455200 0 0 0 0 0 0 0 0 0 TIMING: 455200 CPU: 1813.63, 0.00398421/step Wall: 1813.63, 0.00398421/step, 0.0495813 hours remaining, 109.652344 MB of memory in use. ENERGY: 455200 662.6649 1929.0798 2010.4219 112.9778 -15.4029 -1046.6589 158.2396 0.0000 2750.5798 6561.9019 303.8092 3811.3221 6594.8050 303.3789 PRESSURE: 455300 0 0 0 0 0 0 0 0 0 GPRESSURE: 455300 0 0 0 0 0 0 0 0 0 PRESSAVG: 455300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455300 0 0 0 0 0 0 0 0 0 TIMING: 455300 CPU: 1814.03, 0.00397047/step Wall: 1814.03, 0.00397047/step, 0.0493 hours remaining, 109.652344 MB of memory in use. ENERGY: 455300 663.3404 1909.7501 2019.3602 105.6328 -15.9552 -999.3962 156.2033 0.0000 2709.5266 6548.4620 299.2748 3838.9354 6583.1511 305.4627 PRESSURE: 455400 0 0 0 0 0 0 0 0 0 GPRESSURE: 455400 0 0 0 0 0 0 0 0 0 PRESSAVG: 455400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455400 0 0 0 0 0 0 0 0 0 TIMING: 455400 CPU: 1814.43, 0.00397119/step Wall: 1814.43, 0.00397119/step, 0.0491986 hours remaining, 109.652344 MB of memory in use. ENERGY: 455400 648.5325 1906.9387 2029.0416 97.6567 -16.1914 -1003.9141 155.8848 0.0000 2725.8289 6543.7777 301.0754 3817.9488 6575.8735 304.2157 PRESSURE: 455500 0 0 0 0 0 0 0 0 0 GPRESSURE: 455500 0 0 0 0 0 0 0 0 0 PRESSAVG: 455500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455500 0 0 0 0 0 0 0 0 0 TIMING: 455500 CPU: 1814.83, 0.00398321/step Wall: 1814.83, 0.00398321/step, 0.0492369 hours remaining, 109.652344 MB of memory in use. ENERGY: 455500 653.6786 1879.2477 2034.8357 116.8532 -15.3192 -1046.5095 156.4874 0.0000 2737.7385 6517.0124 302.3908 3779.2739 6550.8572 301.7340 PRESSURE: 455600 0 0 0 0 0 0 0 0 0 GPRESSURE: 455600 0 0 0 0 0 0 0 0 0 PRESSAVG: 455600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455600 0 0 0 0 0 0 0 0 0 TIMING: 455600 CPU: 1815.22, 0.00396922/step Wall: 1815.22, 0.00396922/step, 0.0489537 hours remaining, 109.652344 MB of memory in use. ENERGY: 455600 643.7819 1912.2175 1968.0100 109.5540 -15.4420 -1042.7194 152.9375 0.0000 2734.7667 6463.1064 302.0626 3728.3396 6497.7202 300.4294 PRESSURE: 455700 0 0 0 0 0 0 0 0 0 GPRESSURE: 455700 0 0 0 0 0 0 0 0 0 PRESSAVG: 455700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455700 0 0 0 0 0 0 0 0 0 TIMING: 455700 CPU: 1815.62, 0.00398478/step Wall: 1815.62, 0.00398478/step, 0.0490349 hours remaining, 109.652344 MB of memory in use. ENERGY: 455700 661.5466 1880.6208 1989.1810 121.6550 -14.3343 -1068.3484 160.4043 0.0000 2713.9149 6444.6399 299.7595 3730.7250 6476.3989 298.5600 PRESSURE: 455800 0 0 0 0 0 0 0 0 0 GPRESSURE: 455800 0 0 0 0 0 0 0 0 0 PRESSAVG: 455800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455800 0 0 0 0 0 0 0 0 0 TIMING: 455800 CPU: 1816.02, 0.00397222/step Wall: 1816.02, 0.00397222/step, 0.04877 hours remaining, 109.652344 MB of memory in use. ENERGY: 455800 673.9938 1849.9451 1990.2666 99.0198 -14.6107 -1029.6187 160.2725 0.0000 2733.7392 6463.0075 301.9491 3729.2682 6496.6265 298.3163 PRESSURE: 455900 0 0 0 0 0 0 0 0 0 GPRESSURE: 455900 0 0 0 0 0 0 0 0 0 PRESSAVG: 455900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 455900 0 0 0 0 0 0 0 0 0 TIMING: 455900 CPU: 1816.41, 0.00397127/step Wall: 1816.41, 0.00397127/step, 0.0486481 hours remaining, 109.652344 MB of memory in use. ENERGY: 455900 617.3614 1893.8785 1993.0326 112.7696 -15.3929 -1003.1527 147.7087 0.0000 2681.2131 6427.4183 296.1475 3746.2052 6458.8954 299.0079 PRESSURE: 456000 0 0 0 0 0 0 0 0 0 GPRESSURE: 456000 0 0 0 0 0 0 0 0 0 PRESSAVG: 456000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456000 0 0 0 0 0 0 0 0 0 TIMING: 456000 CPU: 1816.81, 0.00398421/step Wall: 1816.81, 0.00398421/step, 0.0486959 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 456000 643.6815 1875.7463 2001.8282 105.5705 -15.2875 -1032.7497 164.0419 0.0000 2672.1539 6414.9852 295.1468 3742.8313 6444.9238 297.5860 PRESSURE: 456100 0 0 0 0 0 0 0 0 0 GPRESSURE: 456100 0 0 0 0 0 0 0 0 0 PRESSAVG: 456100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456100 0 0 0 0 0 0 0 0 0 TIMING: 456100 CPU: 1817.21, 0.00397037/step Wall: 1817.21, 0.00397037/step, 0.0484165 hours remaining, 109.652344 MB of memory in use. ENERGY: 456100 633.0822 1881.6791 1997.8427 107.4780 -15.4365 -1018.7797 148.9836 0.0000 2685.2866 6420.1361 296.5974 3734.8495 6452.1185 295.9097 PRESSURE: 456200 0 0 0 0 0 0 0 0 0 GPRESSURE: 456200 0 0 0 0 0 0 0 0 0 PRESSAVG: 456200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456200 0 0 0 0 0 0 0 0 0 TIMING: 456200 CPU: 1817.61, 0.00398423/step Wall: 1817.61, 0.00398423/step, 0.0484748 hours remaining, 109.652344 MB of memory in use. ENERGY: 456200 613.6040 1890.8782 2020.5008 108.0791 -14.1119 -1027.9404 155.7473 0.0000 2690.8691 6437.6262 297.2140 3746.7571 6470.0931 297.5741 LDB: ============= START OF LOAD BALANCING ============== 1820.38 LDB: ============== END OF LOAD BALANCING =============== 1820.38 LDB: =============== DONE WITH MIGRATION ================ 1820.38 PRESSURE: 456300 0 0 0 0 0 0 0 0 0 GPRESSURE: 456300 0 0 0 0 0 0 0 0 0 PRESSAVG: 456300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456300 0 0 0 0 0 0 0 0 0 TIMING: 456300 CPU: 1818.01, 0.00401764/step Wall: 1818.01, 0.00401764/step, 0.0487697 hours remaining, 109.652344 MB of memory in use. ENERGY: 456300 680.5825 1893.3019 1988.9404 103.2646 -14.5921 -1036.0597 165.1618 0.0000 2667.9445 6448.5438 294.6819 3780.5993 6480.3707 298.7115 LDB: ============= START OF LOAD BALANCING ============== 1820.79 LDB: ============== END OF LOAD BALANCING =============== 1820.79 LDB: =============== DONE WITH MIGRATION ================ 1820.79 PRESSURE: 456400 0 0 0 0 0 0 0 0 0 GPRESSURE: 456400 0 0 0 0 0 0 0 0 0 PRESSAVG: 456400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456400 0 0 0 0 0 0 0 0 0 TIMING: 456400 CPU: 1818.41, 0.00398317/step Wall: 1818.41, 0.00398317/step, 0.0482406 hours remaining, 109.652344 MB of memory in use. ENERGY: 456400 640.1132 1876.5721 2041.6761 114.6226 -14.6680 -1043.2835 169.0929 0.0000 2667.4897 6451.6152 294.6317 3784.1255 6484.7679 295.8808 PRESSURE: 456500 0 0 0 0 0 0 0 0 0 GPRESSURE: 456500 0 0 0 0 0 0 0 0 0 PRESSAVG: 456500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456500 0 0 0 0 0 0 0 0 0 TIMING: 456500 CPU: 1818.81, 0.00398435/step Wall: 1818.81, 0.00398435/step, 0.0481442 hours remaining, 109.652344 MB of memory in use. ENERGY: 456500 610.7976 1882.5201 2011.7356 110.3271 -14.5965 -1023.6601 155.8989 0.0000 2748.9530 6481.9756 303.6295 3733.0226 6516.3759 298.5203 PRESSURE: 456600 0 0 0 0 0 0 0 0 0 GPRESSURE: 456600 0 0 0 0 0 0 0 0 0 PRESSAVG: 456600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456600 0 0 0 0 0 0 0 0 0 TIMING: 456600 CPU: 1819.2, 0.00396813/step Wall: 1819.2, 0.00396813/step, 0.047838 hours remaining, 109.652344 MB of memory in use. ENERGY: 456600 676.1900 1855.3505 2012.6957 100.2393 -15.0402 -1036.3540 156.3103 0.0000 2745.7671 6495.1588 303.2776 3749.3917 6529.5513 300.2332 PRESSURE: 456700 0 0 0 0 0 0 0 0 0 GPRESSURE: 456700 0 0 0 0 0 0 0 0 0 PRESSAVG: 456700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456700 0 0 0 0 0 0 0 0 0 TIMING: 456700 CPU: 1819.6, 0.00398388/step Wall: 1819.6, 0.00398388/step, 0.0479172 hours remaining, 109.652344 MB of memory in use. ENERGY: 456700 680.8173 1880.7651 2005.0839 108.3172 -13.9598 -1059.6992 177.6943 0.0000 2776.3003 6555.3191 306.6501 3779.0188 6588.6016 303.3741 PRESSURE: 456800 0 0 0 0 0 0 0 0 0 GPRESSURE: 456800 0 0 0 0 0 0 0 0 0 PRESSAVG: 456800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456800 0 0 0 0 0 0 0 0 0 TIMING: 456800 CPU: 1820, 0.00397226/step Wall: 1820, 0.00397226/step, 0.0476671 hours remaining, 109.652344 MB of memory in use. ENERGY: 456800 643.1822 1909.2385 1981.5742 89.1406 -15.4201 -1025.8088 166.7051 0.0000 2818.3902 6567.0018 311.2990 3748.6116 6601.9355 304.3677 PRESSURE: 456900 0 0 0 0 0 0 0 0 0 GPRESSURE: 456900 0 0 0 0 0 0 0 0 0 PRESSAVG: 456900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 456900 0 0 0 0 0 0 0 0 0 TIMING: 456900 CPU: 1820.4, 0.00397308/step Wall: 1820.4, 0.00397308/step, 0.0475666 hours remaining, 109.652344 MB of memory in use. ENERGY: 456900 657.7958 1872.6085 1994.1176 103.3258 -14.7303 -1028.3323 149.5117 0.0000 2821.1719 6555.4688 311.6063 3734.2969 6589.9547 304.9401 PRESSURE: 457000 0 0 0 0 0 0 0 0 0 GPRESSURE: 457000 0 0 0 0 0 0 0 0 0 PRESSAVG: 457000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457000 0 0 0 0 0 0 0 0 0 TIMING: 457000 CPU: 1820.8, 0.00398534/step Wall: 1820.8, 0.00398534/step, 0.0476027 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 457000 654.2656 1849.8569 2012.5468 102.2593 -13.8148 -1057.6265 163.6373 0.0000 2825.8449 6536.9695 312.1224 3711.1246 6572.7600 304.0713 PRESSURE: 457100 0 0 0 0 0 0 0 0 0 GPRESSURE: 457100 0 0 0 0 0 0 0 0 0 PRESSAVG: 457100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457100 0 0 0 0 0 0 0 0 0 TIMING: 457100 CPU: 1821.19, 0.00396865/step Wall: 1821.19, 0.00396865/step, 0.0472931 hours remaining, 109.652344 MB of memory in use. ENERGY: 457100 648.4844 1919.8292 2017.2729 109.3159 -14.6582 -1067.7862 156.6561 0.0000 2750.4311 6519.5452 303.7928 3769.1141 6554.1005 304.3447 PRESSURE: 457200 0 0 0 0 0 0 0 0 0 GPRESSURE: 457200 0 0 0 0 0 0 0 0 0 PRESSAVG: 457200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457200 0 0 0 0 0 0 0 0 0 TIMING: 457200 CPU: 1821.59, 0.00398632/step Wall: 1821.59, 0.00398632/step, 0.0473929 hours remaining, 109.652344 MB of memory in use. ENERGY: 457200 626.2109 1905.5963 2041.3436 97.7528 -14.1023 -1064.2711 161.5204 0.0000 2738.2631 6492.3137 302.4488 3754.0506 6522.8825 301.7750 PRESSURE: 457300 0 0 0 0 0 0 0 0 0 GPRESSURE: 457300 0 0 0 0 0 0 0 0 0 PRESSAVG: 457300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457300 0 0 0 0 0 0 0 0 0 TIMING: 457300 CPU: 1821.99, 0.00397182/step Wall: 1821.99, 0.00397182/step, 0.0471102 hours remaining, 109.652344 MB of memory in use. ENERGY: 457300 652.9176 1893.5250 2027.7534 110.2472 -14.3490 -1062.8930 160.7747 0.0000 2717.1910 6485.1668 300.1213 3767.9758 6517.1708 300.7078 PRESSURE: 457400 0 0 0 0 0 0 0 0 0 GPRESSURE: 457400 0 0 0 0 0 0 0 0 0 PRESSAVG: 457400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457400 0 0 0 0 0 0 0 0 0 TIMING: 457400 CPU: 1822.39, 0.003972/step Wall: 1822.39, 0.003972/step, 0.047002 hours remaining, 109.652344 MB of memory in use. ENERGY: 457400 663.0495 1837.4902 2027.9071 105.3650 -14.1203 -1031.1567 171.4426 0.0000 2685.1443 6445.1219 296.5817 3759.9776 6478.7391 298.0554 PRESSURE: 457500 0 0 0 0 0 0 0 0 0 GPRESSURE: 457500 0 0 0 0 0 0 0 0 0 PRESSAVG: 457500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457500 0 0 0 0 0 0 0 0 0 TIMING: 457500 CPU: 1822.78, 0.00398427/step Wall: 1822.78, 0.00398427/step, 0.0470365 hours remaining, 109.652344 MB of memory in use. ENERGY: 457500 640.2935 1887.6667 2046.8675 103.9274 -14.0365 -1034.6101 165.3232 0.0000 2704.1937 6499.6254 298.6857 3795.4316 6527.5743 299.0098 PRESSURE: 457600 0 0 0 0 0 0 0 0 0 GPRESSURE: 457600 0 0 0 0 0 0 0 0 0 PRESSAVG: 457600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457600 0 0 0 0 0 0 0 0 0 TIMING: 457600 CPU: 1823.18, 0.0039712/step Wall: 1823.18, 0.0039712/step, 0.0467719 hours remaining, 109.652344 MB of memory in use. ENERGY: 457600 686.8482 1900.9904 2009.2368 109.5726 -12.9411 -1044.8399 166.0579 0.0000 2700.6003 6515.5252 298.2888 3814.9249 6547.6658 301.3820 PRESSURE: 457700 0 0 0 0 0 0 0 0 0 GPRESSURE: 457700 0 0 0 0 0 0 0 0 0 PRESSAVG: 457700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457700 0 0 0 0 0 0 0 0 0 TIMING: 457700 CPU: 1823.58, 0.00397478/step Wall: 1823.58, 0.00397478/step, 0.0467036 hours remaining, 109.652344 MB of memory in use. ENERGY: 457700 660.6983 1880.9192 2012.8557 107.5314 -13.8443 -1035.6150 144.3269 0.0000 2749.1630 6506.0354 303.6527 3756.8723 6538.2091 302.0110 PRESSURE: 457800 0 0 0 0 0 0 0 0 0 GPRESSURE: 457800 0 0 0 0 0 0 0 0 0 PRESSAVG: 457800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457800 0 0 0 0 0 0 0 0 0 TIMING: 457800 CPU: 1823.98, 0.00398108/step Wall: 1823.98, 0.00398108/step, 0.0466671 hours remaining, 109.652344 MB of memory in use. ENERGY: 457800 648.6150 1877.0556 1997.2702 89.8040 -13.3878 -1044.7787 167.3092 0.0000 2696.6864 6418.5740 297.8565 3721.8875 6452.7083 299.9984 PRESSURE: 457900 0 0 0 0 0 0 0 0 0 GPRESSURE: 457900 0 0 0 0 0 0 0 0 0 PRESSAVG: 457900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 457900 0 0 0 0 0 0 0 0 0 TIMING: 457900 CPU: 1824.37, 0.00397006/step Wall: 1824.37, 0.00397006/step, 0.0464277 hours remaining, 109.652344 MB of memory in use. ENERGY: 457900 662.6297 1858.5128 2040.0608 97.7683 -14.3796 -1024.6805 154.0682 0.0000 2627.7980 6401.7777 290.2476 3773.9797 6431.4529 297.0314 PRESSURE: 458000 0 0 0 0 0 0 0 0 0 GPRESSURE: 458000 0 0 0 0 0 0 0 0 0 PRESSAVG: 458000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458000 0 0 0 0 0 0 0 0 0 TIMING: 458000 CPU: 1824.77, 0.00398456/step Wall: 1824.77, 0.00398456/step, 0.0464865 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 458000 664.5329 1828.0676 2005.7086 115.1969 -14.9225 -1019.1832 165.1293 0.0000 2699.2115 6443.7411 298.1354 3744.5296 6475.6965 295.2221 PRESSURE: 458100 0 0 0 0 0 0 0 0 0 GPRESSURE: 458100 0 0 0 0 0 0 0 0 0 PRESSAVG: 458100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458100 0 0 0 0 0 0 0 0 0 TIMING: 458100 CPU: 1825.17, 0.00397104/step Wall: 1825.17, 0.00397104/step, 0.0462185 hours remaining, 109.652344 MB of memory in use. ENERGY: 458100 638.8090 1876.6363 2017.8993 103.6192 -14.0913 -1044.0388 158.0486 0.0000 2730.7047 6467.5871 301.6139 3736.8823 6499.8632 299.3039 PRESSURE: 458200 0 0 0 0 0 0 0 0 0 GPRESSURE: 458200 0 0 0 0 0 0 0 0 0 PRESSAVG: 458200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458200 0 0 0 0 0 0 0 0 0 TIMING: 458200 CPU: 1825.57, 0.00397008/step Wall: 1825.57, 0.00397008/step, 0.0460971 hours remaining, 109.652344 MB of memory in use. ENERGY: 458200 625.1140 1866.6238 2030.8974 107.9739 -13.1694 -1064.4265 157.8450 0.0000 2732.9582 6443.8164 301.8628 3710.8582 6477.2948 299.2094 PRESSURE: 458300 0 0 0 0 0 0 0 0 0 GPRESSURE: 458300 0 0 0 0 0 0 0 0 0 PRESSAVG: 458300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458300 0 0 0 0 0 0 0 0 0 TIMING: 458300 CPU: 1825.96, 0.00398212/step Wall: 1825.96, 0.00398211/step, 0.0461261 hours remaining, 109.652344 MB of memory in use. ENERGY: 458300 602.0499 1831.1589 2028.1147 101.1774 -13.7377 -1014.1862 168.2135 0.0000 2720.8068 6423.5973 300.5207 3702.7905 6455.6991 297.0075 PRESSURE: 458400 0 0 0 0 0 0 0 0 0 GPRESSURE: 458400 0 0 0 0 0 0 0 0 0 PRESSAVG: 458400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458400 0 0 0 0 0 0 0 0 0 TIMING: 458400 CPU: 1826.36, 0.00396918/step Wall: 1826.36, 0.00396919/step, 0.0458662 hours remaining, 109.652344 MB of memory in use. ENERGY: 458400 660.3833 1901.8530 1990.4582 102.3318 -14.3425 -1026.1515 164.0944 0.0000 2656.0222 6434.6489 293.3651 3778.6267 6465.1166 296.7440 PRESSURE: 458500 0 0 0 0 0 0 0 0 0 GPRESSURE: 458500 0 0 0 0 0 0 0 0 0 PRESSAVG: 458500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458500 0 0 0 0 0 0 0 0 0 TIMING: 458500 CPU: 1826.76, 0.00398407/step Wall: 1826.76, 0.00398407/step, 0.0459275 hours remaining, 109.652344 MB of memory in use. ENERGY: 458500 614.2335 1854.7606 1995.7798 111.6643 -13.9804 -1036.1965 167.0039 0.0000 2726.2151 6419.4803 301.1181 3693.2652 6454.4312 296.1947 PRESSURE: 458600 0 0 0 0 0 0 0 0 0 GPRESSURE: 458600 0 0 0 0 0 0 0 0 0 PRESSAVG: 458600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458600 0 0 0 0 0 0 0 0 0 TIMING: 458600 CPU: 1827.16, 0.00397015/step Wall: 1827.16, 0.00397015/step, 0.0456567 hours remaining, 109.652344 MB of memory in use. ENERGY: 458600 648.7354 1887.5585 1980.5508 103.9665 -15.1653 -1048.1916 169.6619 0.0000 2717.8049 6444.9210 300.1891 3727.1161 6476.6725 297.0071 PRESSURE: 458700 0 0 0 0 0 0 0 0 0 GPRESSURE: 458700 0 0 0 0 0 0 0 0 0 PRESSAVG: 458700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458700 0 0 0 0 0 0 0 0 0 TIMING: 458700 CPU: 1827.55, 0.00397136/step Wall: 1827.55, 0.00397136/step, 0.0455603 hours remaining, 109.652344 MB of memory in use. ENERGY: 458700 645.8498 1878.0315 2022.1170 100.4944 -14.3683 -1059.7661 156.3461 0.0000 2681.7574 6410.4618 296.2076 3728.7044 6442.9706 296.5416 PRESSURE: 458800 0 0 0 0 0 0 0 0 0 GPRESSURE: 458800 0 0 0 0 0 0 0 0 0 PRESSAVG: 458800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458800 0 0 0 0 0 0 0 0 0 TIMING: 458800 CPU: 1827.95, 0.00398519/step Wall: 1827.95, 0.00398519/step, 0.0456083 hours remaining, 109.652344 MB of memory in use. ENERGY: 458800 663.0545 1905.5590 1995.0515 107.5848 -14.8234 -1028.0677 158.2395 0.0000 2638.8022 6425.4004 291.4631 3786.5982 6456.1686 298.1533 PRESSURE: 458900 0 0 0 0 0 0 0 0 0 GPRESSURE: 458900 0 0 0 0 0 0 0 0 0 PRESSAVG: 458900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 458900 0 0 0 0 0 0 0 0 0 TIMING: 458900 CPU: 1828.35, 0.00397173/step Wall: 1828.35, 0.00397173/step, 0.0453439 hours remaining, 109.652344 MB of memory in use. ENERGY: 458900 647.3842 1900.3064 1994.4086 101.2919 -15.3917 -1042.1849 161.2834 0.0000 2701.0332 6448.1310 298.3366 3747.0979 6481.1895 298.9803 PRESSURE: 459000 0 0 0 0 0 0 0 0 0 GPRESSURE: 459000 0 0 0 0 0 0 0 0 0 PRESSAVG: 459000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459000 0 0 0 0 0 0 0 0 0 TIMING: 459000 CPU: 1828.75, 0.00398336/step Wall: 1828.75, 0.00398336/step, 0.045366 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 459000 646.0393 1888.4666 1988.7898 103.9014 -14.2937 -1026.3090 159.9185 0.0000 2699.3506 6445.8635 298.1508 3746.5129 6478.5057 297.5439 PRESSURE: 459100 0 0 0 0 0 0 0 0 0 GPRESSURE: 459100 0 0 0 0 0 0 0 0 0 PRESSAVG: 459100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459100 0 0 0 0 0 0 0 0 0 TIMING: 459100 CPU: 1829.14, 0.00396936/step Wall: 1829.14, 0.00396936/step, 0.0450963 hours remaining, 109.652344 MB of memory in use. ENERGY: 459100 680.8385 1886.4848 1986.7722 106.6826 -15.0892 -1014.6011 157.4712 0.0000 2665.3740 6453.9332 294.3980 3788.5591 6485.5480 297.7597 PRESSURE: 459200 0 0 0 0 0 0 0 0 0 GPRESSURE: 459200 0 0 0 0 0 0 0 0 0 PRESSAVG: 459200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459200 0 0 0 0 0 0 0 0 0 TIMING: 459200 CPU: 1829.54, 0.00397271/step Wall: 1829.54, 0.00397271/step, 0.045024 hours remaining, 109.652344 MB of memory in use. ENERGY: 459200 655.8785 1910.2621 2000.0801 107.8020 -14.6636 -1064.1998 162.9473 0.0000 2655.4036 6413.5103 293.2967 3758.1067 6443.6512 296.2588 PRESSURE: 459300 0 0 0 0 0 0 0 0 0 GPRESSURE: 459300 0 0 0 0 0 0 0 0 0 PRESSAVG: 459300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459300 0 0 0 0 0 0 0 0 0 TIMING: 459300 CPU: 1829.94, 0.00398413/step Wall: 1829.94, 0.00398413/step, 0.0450428 hours remaining, 109.652344 MB of memory in use. ENERGY: 459300 648.6672 1859.0319 1973.9302 100.7293 -15.4627 -1037.0473 148.9543 0.0000 2680.5909 6359.3937 296.0787 3678.8028 6391.7924 295.4251 PRESSURE: 459400 0 0 0 0 0 0 0 0 0 GPRESSURE: 459400 0 0 0 0 0 0 0 0 0 PRESSAVG: 459400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459400 0 0 0 0 0 0 0 0 0 TIMING: 459400 CPU: 1830.34, 0.0039716/step Wall: 1830.34, 0.0039716/step, 0.0447908 hours remaining, 109.652344 MB of memory in use. ENERGY: 459400 645.4810 1827.2671 2010.4634 105.0868 -15.4171 -1042.3520 153.2506 0.0000 2703.0004 6386.7802 298.5539 3683.7798 6420.8421 295.2938 PRESSURE: 459500 0 0 0 0 0 0 0 0 0 GPRESSURE: 459500 0 0 0 0 0 0 0 0 0 PRESSAVG: 459500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459500 0 0 0 0 0 0 0 0 0 TIMING: 459500 CPU: 1830.74, 0.00399285/step Wall: 1830.74, 0.00399285/step, 0.0449196 hours remaining, 109.652344 MB of memory in use. ENERGY: 459500 638.1582 1819.9045 1959.9989 112.5241 -13.8366 -1038.2048 178.3393 0.0000 2700.4490 6357.3325 298.2721 3656.8835 6393.1005 294.6647 PRESSURE: 459600 0 0 0 0 0 0 0 0 0 GPRESSURE: 459600 0 0 0 0 0 0 0 0 0 PRESSAVG: 459600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459600 0 0 0 0 0 0 0 0 0 TIMING: 459600 CPU: 1831.13, 0.00397058/step Wall: 1831.13, 0.00397058/step, 0.0445587 hours remaining, 109.652344 MB of memory in use. ENERGY: 459600 672.2589 1837.6854 1992.8188 108.4786 -14.0181 -1027.2317 159.1763 0.0000 2630.2269 6359.3951 290.5159 3729.1682 6390.2219 294.3716 PRESSURE: 459700 0 0 0 0 0 0 0 0 0 GPRESSURE: 459700 0 0 0 0 0 0 0 0 0 PRESSAVG: 459700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459700 0 0 0 0 0 0 0 0 0 TIMING: 459700 CPU: 1831.53, 0.00397297/step Wall: 1831.53, 0.00397297/step, 0.0444752 hours remaining, 109.652344 MB of memory in use. ENERGY: 459700 639.6259 1851.9735 2013.6133 114.6229 -13.5200 -1009.1929 169.4626 0.0000 2644.0083 6410.5937 292.0381 3766.5853 6444.2910 294.3047 PRESSURE: 459800 0 0 0 0 0 0 0 0 0 GPRESSURE: 459800 0 0 0 0 0 0 0 0 0 PRESSAVG: 459800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459800 0 0 0 0 0 0 0 0 0 TIMING: 459800 CPU: 1831.93, 0.00397982/step Wall: 1831.93, 0.00397982/step, 0.0444413 hours remaining, 109.652344 MB of memory in use. ENERGY: 459800 654.0862 1861.0841 2007.9497 104.1154 -15.2025 -1037.7080 149.6128 0.0000 2716.2122 6440.1499 300.0132 3723.9377 6474.6986 296.2417 PRESSURE: 459900 0 0 0 0 0 0 0 0 0 GPRESSURE: 459900 0 0 0 0 0 0 0 0 0 PRESSAVG: 459900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 459900 0 0 0 0 0 0 0 0 0 TIMING: 459900 CPU: 1832.33, 0.00396969/step Wall: 1832.33, 0.00396969/step, 0.0442179 hours remaining, 109.652344 MB of memory in use. ENERGY: 459900 641.4390 1885.6154 1996.1018 113.0363 -15.3242 -1042.8407 155.2037 0.0000 2687.5046 6420.7359 296.8424 3733.2314 6453.7615 297.3339 PRESSURE: 460000 0 0 0 0 0 0 0 0 0 GPRESSURE: 460000 0 0 0 0 0 0 0 0 0 PRESSAVG: 460000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460000 0 0 0 0 0 0 0 0 0 TIMING: 460000 CPU: 1832.72, 0.00398306/step Wall: 1832.72, 0.00398306/step, 0.0442562 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 460000 652.3430 1859.0680 1989.9840 99.4158 -16.4950 -1007.0765 149.3220 0.0000 2693.9743 6420.5356 297.5570 3726.5613 6452.9972 297.0020 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 460000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 460000 WRITING COORDINATES TO RESTART FILE AT STEP 460000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 460000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 460100 0 0 0 0 0 0 0 0 0 GPRESSURE: 460100 0 0 0 0 0 0 0 0 0 PRESSAVG: 460100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460100 0 0 0 0 0 0 0 0 0 TIMING: 460100 CPU: 1833.16, 0.00434502/step Wall: 1833.16, 0.00434502/step, 0.0481573 hours remaining, 109.652344 MB of memory in use. ENERGY: 460100 637.0553 1841.4559 2042.8132 108.3254 -14.6519 -1046.2939 152.6023 0.0000 2712.9103 6434.2167 299.6485 3721.3064 6471.1856 297.2327 PRESSURE: 460200 0 0 0 0 0 0 0 0 0 GPRESSURE: 460200 0 0 0 0 0 0 0 0 0 PRESSAVG: 460200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460200 0 0 0 0 0 0 0 0 0 TIMING: 460200 CPU: 1833.56, 0.00397322/step Wall: 1833.56, 0.00397321/step, 0.043926 hours remaining, 109.652344 MB of memory in use. ENERGY: 460200 630.7700 1908.9141 2015.5100 103.0864 -14.5945 -1066.1286 154.7672 0.0000 2688.3599 6420.6845 296.9368 3732.3246 6452.4297 296.7469 LDB: ============= START OF LOAD BALANCING ============== 1836.33 LDB: ============== END OF LOAD BALANCING =============== 1836.33 LDB: =============== DONE WITH MIGRATION ================ 1836.33 PRESSURE: 460300 0 0 0 0 0 0 0 0 0 GPRESSURE: 460300 0 0 0 0 0 0 0 0 0 PRESSAVG: 460300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460300 0 0 0 0 0 0 0 0 0 TIMING: 460300 CPU: 1833.95, 0.00398348/step Wall: 1833.95, 0.00398348/step, 0.0439289 hours remaining, 109.652344 MB of memory in use. ENERGY: 460300 643.5403 1827.0511 2026.4195 109.2617 -13.8547 -1019.8808 157.9456 0.0000 2697.9066 6428.3893 297.9913 3730.4827 6460.0824 296.4260 LDB: ============= START OF LOAD BALANCING ============== 1836.73 LDB: ============== END OF LOAD BALANCING =============== 1836.73 LDB: =============== DONE WITH MIGRATION ================ 1836.73 PRESSURE: 460400 0 0 0 0 0 0 0 0 0 GPRESSURE: 460400 0 0 0 0 0 0 0 0 0 PRESSAVG: 460400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460400 0 0 0 0 0 0 0 0 0 TIMING: 460400 CPU: 1834.35, 0.00397717/step Wall: 1834.35, 0.00397718/step, 0.043749 hours remaining, 109.652344 MB of memory in use. ENERGY: 460400 659.6081 1928.7358 2010.8809 98.1535 -15.7772 -1054.3618 164.1244 0.0000 2660.0274 6451.3911 293.8074 3791.3637 6484.6284 297.2467 PRESSURE: 460500 0 0 0 0 0 0 0 0 0 GPRESSURE: 460500 0 0 0 0 0 0 0 0 0 PRESSAVG: 460500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460500 0 0 0 0 0 0 0 0 0 TIMING: 460500 CPU: 1834.75, 0.00398005/step Wall: 1834.75, 0.00398005/step, 0.04367 hours remaining, 109.652344 MB of memory in use. ENERGY: 460500 650.2082 1928.7372 2040.9465 108.6801 -15.0887 -1055.2055 148.7572 0.0000 2647.1741 6454.2090 292.3878 3807.0349 6483.7728 297.7521 PRESSURE: 460600 0 0 0 0 0 0 0 0 0 GPRESSURE: 460600 0 0 0 0 0 0 0 0 0 PRESSAVG: 460600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460600 0 0 0 0 0 0 0 0 0 TIMING: 460600 CPU: 1835.15, 0.00397075/step Wall: 1835.15, 0.00397075/step, 0.0434577 hours remaining, 109.652344 MB of memory in use. ENERGY: 460600 657.9111 1895.5612 2013.5226 106.3914 -13.5289 -1077.3976 167.8348 0.0000 2736.8654 6487.1600 302.2944 3750.2946 6521.1629 299.9200 PRESSURE: 460700 0 0 0 0 0 0 0 0 0 GPRESSURE: 460700 0 0 0 0 0 0 0 0 0 PRESSAVG: 460700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460700 0 0 0 0 0 0 0 0 0 TIMING: 460700 CPU: 1835.54, 0.00397177/step Wall: 1835.54, 0.00397177/step, 0.0433585 hours remaining, 109.652344 MB of memory in use. ENERGY: 460700 682.8495 1880.0764 1989.1925 101.2807 -14.6060 -1033.4176 142.1395 0.0000 2764.8434 6512.3583 305.3847 3747.5149 6544.7369 301.3343 PRESSURE: 460800 0 0 0 0 0 0 0 0 0 GPRESSURE: 460800 0 0 0 0 0 0 0 0 0 PRESSAVG: 460800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460800 0 0 0 0 0 0 0 0 0 TIMING: 460800 CPU: 1835.94, 0.00398261/step Wall: 1835.94, 0.00398261/step, 0.0433662 hours remaining, 109.652344 MB of memory in use. ENERGY: 460800 667.2526 1890.8261 2004.5978 106.6895 -14.7462 -1023.0978 165.1724 0.0000 2724.9548 6521.6493 300.9789 3796.6945 6552.4596 301.9276 PRESSURE: 460900 0 0 0 0 0 0 0 0 0 GPRESSURE: 460900 0 0 0 0 0 0 0 0 0 PRESSAVG: 460900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 460900 0 0 0 0 0 0 0 0 0 TIMING: 460900 CPU: 1836.34, 0.00397224/step Wall: 1836.34, 0.00397224/step, 0.043143 hours remaining, 109.652344 MB of memory in use. ENERGY: 460900 652.3127 1898.0013 2040.5072 115.5346 -14.0784 -1034.3885 167.1677 0.0000 2684.6641 6509.7209 296.5286 3825.0567 6544.7771 302.6810 PRESSURE: 461000 0 0 0 0 0 0 0 0 0 GPRESSURE: 461000 0 0 0 0 0 0 0 0 0 PRESSAVG: 461000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461000 0 0 0 0 0 0 0 0 0 TIMING: 461000 CPU: 1836.74, 0.00398165/step Wall: 1836.74, 0.00398164/step, 0.0431344 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 461000 649.5684 1882.2291 2008.6287 102.2642 -14.4763 -1041.2911 154.1503 0.0000 2742.8034 6483.8769 302.9503 3741.0735 6516.8757 302.3163 PRESSURE: 461100 0 0 0 0 0 0 0 0 0 GPRESSURE: 461100 0 0 0 0 0 0 0 0 0 PRESSAVG: 461100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461100 0 0 0 0 0 0 0 0 0 TIMING: 461100 CPU: 1837.14, 0.00397104/step Wall: 1837.14, 0.00397105/step, 0.0429094 hours remaining, 109.652344 MB of memory in use. ENERGY: 461100 699.9850 1870.7974 2018.4233 113.8051 -15.1371 -1048.1290 167.8588 0.0000 2669.0722 6476.6756 294.8065 3807.6034 6509.4864 299.3952 PRESSURE: 461200 0 0 0 0 0 0 0 0 0 GPRESSURE: 461200 0 0 0 0 0 0 0 0 0 PRESSAVG: 461200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461200 0 0 0 0 0 0 0 0 0 TIMING: 461200 CPU: 1837.53, 0.00397166/step Wall: 1837.53, 0.00397166/step, 0.0428057 hours remaining, 109.652344 MB of memory in use. ENERGY: 461200 620.0880 1877.1333 2019.8071 105.1709 -14.6618 -1028.2909 153.7760 0.0000 2758.4361 6491.4586 304.6770 3733.0225 6527.2275 300.4326 PRESSURE: 461300 0 0 0 0 0 0 0 0 0 GPRESSURE: 461300 0 0 0 0 0 0 0 0 0 PRESSAVG: 461300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461300 0 0 0 0 0 0 0 0 0 TIMING: 461300 CPU: 1837.93, 0.0039832/step Wall: 1837.93, 0.00398319/step, 0.0428193 hours remaining, 109.652344 MB of memory in use. ENERGY: 461300 647.9652 1913.5393 2009.7917 102.5644 -14.0805 -1048.0212 155.2971 0.0000 2702.5701 6469.6262 298.5064 3767.0561 6501.0421 299.8559 PRESSURE: 461400 0 0 0 0 0 0 0 0 0 GPRESSURE: 461400 0 0 0 0 0 0 0 0 0 PRESSAVG: 461400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461400 0 0 0 0 0 0 0 0 0 TIMING: 461400 CPU: 1838.33, 0.00397125/step Wall: 1838.33, 0.00397126/step, 0.0425807 hours remaining, 109.652344 MB of memory in use. ENERGY: 461400 671.2411 1918.7622 2029.4019 102.8213 -13.7194 -1035.7098 165.1978 0.0000 2669.3396 6507.3348 294.8360 3837.9952 6535.6233 301.3211 PRESSURE: 461500 0 0 0 0 0 0 0 0 0 GPRESSURE: 461500 0 0 0 0 0 0 0 0 0 PRESSAVG: 461500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461500 0 0 0 0 0 0 0 0 0 TIMING: 461500 CPU: 1838.73, 0.00398194/step Wall: 1838.73, 0.00398194/step, 0.0425846 hours remaining, 109.652344 MB of memory in use. ENERGY: 461500 672.9377 1843.0085 2021.2485 116.9288 -14.9811 -1029.1236 154.5505 0.0000 2745.5735 6510.1427 303.2562 3764.5692 6544.1088 302.4996 PRESSURE: 461600 0 0 0 0 0 0 0 0 0 GPRESSURE: 461600 0 0 0 0 0 0 0 0 0 PRESSAVG: 461600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461600 0 0 0 0 0 0 0 0 0 TIMING: 461600 CPU: 1839.12, 0.00396971/step Wall: 1839.12, 0.00396971/step, 0.0423436 hours remaining, 109.652344 MB of memory in use. ENERGY: 461600 654.8746 1864.3116 2031.2318 106.4049 -15.1857 -1045.8033 163.7095 0.0000 2737.1928 6496.7362 302.3306 3759.5434 6529.4061 300.1654 PRESSURE: 461700 0 0 0 0 0 0 0 0 0 GPRESSURE: 461700 0 0 0 0 0 0 0 0 0 PRESSAVG: 461700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461700 0 0 0 0 0 0 0 0 0 TIMING: 461700 CPU: 1839.52, 0.00397184/step Wall: 1839.52, 0.00397184/step, 0.042256 hours remaining, 109.652344 MB of memory in use. ENERGY: 461700 664.7903 1844.9624 2018.2406 99.9401 -15.1331 -1038.5874 158.0296 0.0000 2709.3934 6441.6359 299.2600 3732.2425 6476.1736 299.2507 PRESSURE: 461800 0 0 0 0 0 0 0 0 0 GPRESSURE: 461800 0 0 0 0 0 0 0 0 0 PRESSAVG: 461800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461800 0 0 0 0 0 0 0 0 0 TIMING: 461800 CPU: 1839.92, 0.00398265/step Wall: 1839.92, 0.00398265/step, 0.0422603 hours remaining, 109.652344 MB of memory in use. ENERGY: 461800 660.8385 1903.3726 2020.5356 109.1439 -14.4356 -1051.2242 150.3419 0.0000 2679.1273 6457.7001 295.9171 3778.5728 6489.6206 298.1485 PRESSURE: 461900 0 0 0 0 0 0 0 0 0 GPRESSURE: 461900 0 0 0 0 0 0 0 0 0 PRESSAVG: 461900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 461900 0 0 0 0 0 0 0 0 0 TIMING: 461900 CPU: 1840.32, 0.00397104/step Wall: 1840.32, 0.00397104/step, 0.0420268 hours remaining, 109.652344 MB of memory in use. ENERGY: 461900 663.7601 1842.5705 1985.5240 89.1674 -14.0351 -1019.1486 150.7013 0.0000 2732.5589 6431.0986 301.8187 3698.5397 6466.1333 296.4379 PRESSURE: 462000 0 0 0 0 0 0 0 0 0 GPRESSURE: 462000 0 0 0 0 0 0 0 0 0 PRESSAVG: 462000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462000 0 0 0 0 0 0 0 0 0 TIMING: 462000 CPU: 1840.71, 0.00398043/step Wall: 1840.71, 0.00398043/step, 0.0420157 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 462000 661.0937 1867.5583 2015.5874 102.0961 -13.4588 -1045.9597 155.7708 0.0000 2652.3107 6394.9986 292.9551 3742.6878 6428.6545 296.0039 PRESSURE: 462100 0 0 0 0 0 0 0 0 0 GPRESSURE: 462100 0 0 0 0 0 0 0 0 0 PRESSAVG: 462100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462100 0 0 0 0 0 0 0 0 0 TIMING: 462100 CPU: 1841.11, 0.00397162/step Wall: 1841.11, 0.00397162/step, 0.0418123 hours remaining, 109.652344 MB of memory in use. ENERGY: 462100 627.4142 1833.1493 2001.9340 101.4086 -14.6924 -1027.2573 164.6671 0.0000 2704.4634 6391.0868 298.7155 3686.6235 6425.8157 295.2584 PRESSURE: 462200 0 0 0 0 0 0 0 0 0 GPRESSURE: 462200 0 0 0 0 0 0 0 0 0 PRESSAVG: 462200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462200 0 0 0 0 0 0 0 0 0 TIMING: 462200 CPU: 1841.51, 0.00397166/step Wall: 1841.51, 0.00397166/step, 0.0417024 hours remaining, 109.652344 MB of memory in use. ENERGY: 462200 630.5773 1830.0199 1995.4412 113.8210 -14.1410 -1062.1738 154.2966 0.0000 2730.6979 6378.5392 301.6132 3647.8413 6414.9235 294.3164 PRESSURE: 462300 0 0 0 0 0 0 0 0 0 GPRESSURE: 462300 0 0 0 0 0 0 0 0 0 PRESSAVG: 462300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462300 0 0 0 0 0 0 0 0 0 TIMING: 462300 CPU: 1841.91, 0.00398521/step Wall: 1841.91, 0.00398521/step, 0.041734 hours remaining, 109.652344 MB of memory in use. ENERGY: 462300 664.4967 1856.4189 2012.1318 114.9021 -13.5492 -1024.0819 173.7586 0.0000 2637.7004 6421.7774 291.3414 3784.0770 6454.4841 295.9160 PRESSURE: 462400 0 0 0 0 0 0 0 0 0 GPRESSURE: 462400 0 0 0 0 0 0 0 0 0 PRESSAVG: 462400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462400 0 0 0 0 0 0 0 0 0 TIMING: 462400 CPU: 1842.3, 0.00397371/step Wall: 1842.3, 0.00397371/step, 0.0415032 hours remaining, 109.652344 MB of memory in use. ENERGY: 462400 603.4284 1917.0516 2011.1837 103.3110 -15.3754 -1013.1710 151.1441 0.0000 2676.7952 6434.3676 295.6595 3757.5724 6465.8320 297.4762 PRESSURE: 462500 0 0 0 0 0 0 0 0 0 GPRESSURE: 462500 0 0 0 0 0 0 0 0 0 PRESSAVG: 462500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462500 0 0 0 0 0 0 0 0 0 TIMING: 462500 CPU: 1842.7, 0.00398072/step Wall: 1842.7, 0.00398072/step, 0.0414658 hours remaining, 109.652344 MB of memory in use. ENERGY: 462500 643.5605 1878.7086 2029.2113 110.3179 -15.7956 -1007.8669 140.6805 0.0000 2668.5330 6447.3493 294.7469 3778.8163 6479.4399 296.8104 PRESSURE: 462600 0 0 0 0 0 0 0 0 0 GPRESSURE: 462600 0 0 0 0 0 0 0 0 0 PRESSAVG: 462600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462600 0 0 0 0 0 0 0 0 0 TIMING: 462600 CPU: 1843.1, 0.00397203/step Wall: 1843.1, 0.00397203/step, 0.041265 hours remaining, 109.652344 MB of memory in use. ENERGY: 462600 640.7165 1917.1256 2037.7685 100.8038 -14.7663 -1019.6017 172.1086 0.0000 2647.9527 6482.1078 292.4737 3834.1551 6510.4729 298.7477 PRESSURE: 462700 0 0 0 0 0 0 0 0 0 GPRESSURE: 462700 0 0 0 0 0 0 0 0 0 PRESSAVG: 462700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462700 0 0 0 0 0 0 0 0 0 TIMING: 462700 CPU: 1843.5, 0.0039727/step Wall: 1843.5, 0.0039727/step, 0.0411616 hours remaining, 109.652344 MB of memory in use. ENERGY: 462700 614.0240 1868.7464 2022.9240 114.2083 -14.6354 -1016.1934 156.0392 0.0000 2709.4441 6454.5572 299.2656 3745.1131 6489.9483 298.8358 PRESSURE: 462800 0 0 0 0 0 0 0 0 0 GPRESSURE: 462800 0 0 0 0 0 0 0 0 0 PRESSAVG: 462800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462800 0 0 0 0 0 0 0 0 0 TIMING: 462800 CPU: 1843.89, 0.00397886/step Wall: 1843.89, 0.00397886/step, 0.0411149 hours remaining, 109.652344 MB of memory in use. ENERGY: 462800 631.3879 1891.9130 2023.1786 117.1711 -13.9615 -1052.3850 160.4870 0.0000 2700.2793 6458.0703 298.2534 3757.7910 6491.3686 298.6189 PRESSURE: 462900 0 0 0 0 0 0 0 0 0 GPRESSURE: 462900 0 0 0 0 0 0 0 0 0 PRESSAVG: 462900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 462900 0 0 0 0 0 0 0 0 0 TIMING: 462900 CPU: 1844.29, 0.0039717/step Wall: 1844.29, 0.0039717/step, 0.0409306 hours remaining, 109.652344 MB of memory in use. ENERGY: 462900 637.2256 1916.5138 1988.5757 110.5100 -14.8399 -1038.2218 152.8874 0.0000 2654.3103 6406.9610 293.1760 3752.6507 6440.6198 296.3543 PRESSURE: 463000 0 0 0 0 0 0 0 0 0 GPRESSURE: 463000 0 0 0 0 0 0 0 0 0 PRESSAVG: 463000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463000 0 0 0 0 0 0 0 0 0 TIMING: 463000 CPU: 1844.69, 0.003982/step Wall: 1844.69, 0.003982/step, 0.0409261 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 463000 642.9266 1866.8642 2024.2109 107.4367 -14.6822 -1045.7521 175.1893 0.0000 2693.0791 6449.2726 297.4581 3756.1935 6478.4891 297.0052 PRESSURE: 463100 0 0 0 0 0 0 0 0 0 GPRESSURE: 463100 0 0 0 0 0 0 0 0 0 PRESSAVG: 463100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463100 0 0 0 0 0 0 0 0 0 TIMING: 463100 CPU: 1845.09, 0.00396925/step Wall: 1845.09, 0.00396925/step, 0.0406848 hours remaining, 109.652344 MB of memory in use. ENERGY: 463100 631.2842 1932.5312 2018.4852 104.0361 -14.4693 -1049.7427 165.6434 0.0000 2670.3640 6458.1320 294.9491 3787.7680 6490.6846 298.8168 PRESSURE: 463200 0 0 0 0 0 0 0 0 0 GPRESSURE: 463200 0 0 0 0 0 0 0 0 0 PRESSAVG: 463200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463200 0 0 0 0 0 0 0 0 0 TIMING: 463200 CPU: 1845.48, 0.00397159/step Wall: 1845.48, 0.00397159/step, 0.0405985 hours remaining, 109.652344 MB of memory in use. ENERGY: 463200 644.8843 1868.6031 2009.4657 98.8319 -14.9910 -1055.4401 167.5406 0.0000 2777.4063 6496.3008 306.7723 3718.8945 6530.7490 300.5358 PRESSURE: 463300 0 0 0 0 0 0 0 0 0 GPRESSURE: 463300 0 0 0 0 0 0 0 0 0 PRESSAVG: 463300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463300 0 0 0 0 0 0 0 0 0 TIMING: 463300 CPU: 1845.88, 0.00398068/step Wall: 1845.88, 0.00398068/step, 0.0405808 hours remaining, 109.652344 MB of memory in use. ENERGY: 463300 650.8630 1923.9793 2026.3272 105.2516 -15.7524 -1030.8574 166.3488 0.0000 2696.1860 6522.3461 297.8013 3826.1601 6554.0168 300.7120 PRESSURE: 463400 0 0 0 0 0 0 0 0 0 GPRESSURE: 463400 0 0 0 0 0 0 0 0 0 PRESSAVG: 463400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463400 0 0 0 0 0 0 0 0 0 TIMING: 463400 CPU: 1846.28, 0.00397209/step Wall: 1846.28, 0.00397209/step, 0.0403829 hours remaining, 109.652344 MB of memory in use. ENERGY: 463400 649.7937 1903.6257 2021.7879 108.9366 -15.1773 -1044.4398 153.6547 0.0000 2729.7154 6507.8969 301.5047 3778.1815 6542.1089 302.3900 PRESSURE: 463500 0 0 0 0 0 0 0 0 0 GPRESSURE: 463500 0 0 0 0 0 0 0 0 0 PRESSAVG: 463500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463500 0 0 0 0 0 0 0 0 0 TIMING: 463500 CPU: 1846.68, 0.00398132/step Wall: 1846.68, 0.00398132/step, 0.0403661 hours remaining, 109.652344 MB of memory in use. ENERGY: 463500 667.9632 1936.9857 2015.5101 104.7349 -14.3714 -1041.7764 187.3918 0.0000 2714.4965 6570.9343 299.8237 3856.4378 6605.1080 302.3557 PRESSURE: 463600 0 0 0 0 0 0 0 0 0 GPRESSURE: 463600 0 0 0 0 0 0 0 0 0 PRESSAVG: 463600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463600 0 0 0 0 0 0 0 0 0 TIMING: 463600 CPU: 1847.07, 0.00397103/step Wall: 1847.07, 0.00397103/step, 0.0401515 hours remaining, 109.652344 MB of memory in use. ENERGY: 463600 656.0757 1868.4761 2009.3711 98.8551 -14.9573 -1056.0715 166.0799 0.0000 2822.3203 6550.1494 311.7331 3727.8291 6582.9689 303.9391 PRESSURE: 463700 0 0 0 0 0 0 0 0 0 GPRESSURE: 463700 0 0 0 0 0 0 0 0 0 PRESSAVG: 463700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463700 0 0 0 0 0 0 0 0 0 TIMING: 463700 CPU: 1847.47, 0.00397196/step Wall: 1847.47, 0.00397196/step, 0.0400506 hours remaining, 109.652344 MB of memory in use. ENERGY: 463700 635.5322 1926.7844 2024.9883 99.6714 -14.7691 -1002.6632 176.0185 0.0000 2697.5606 6543.1230 297.9531 3845.5625 6572.5208 304.0672 PRESSURE: 463800 0 0 0 0 0 0 0 0 0 GPRESSURE: 463800 0 0 0 0 0 0 0 0 0 PRESSAVG: 463800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463800 0 0 0 0 0 0 0 0 0 TIMING: 463800 CPU: 1847.87, 0.00398191/step Wall: 1847.87, 0.00398191/step, 0.0400403 hours remaining, 109.652344 MB of memory in use. ENERGY: 463800 667.6607 1906.8051 1979.0515 99.8342 -14.9395 -1069.6766 165.7289 0.0000 2757.5048 6491.9691 304.5741 3734.4643 6523.8158 300.8536 PRESSURE: 463900 0 0 0 0 0 0 0 0 0 GPRESSURE: 463900 0 0 0 0 0 0 0 0 0 PRESSAVG: 463900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 463900 0 0 0 0 0 0 0 0 0 TIMING: 463900 CPU: 1848.27, 0.00397134/step Wall: 1848.27, 0.00397134/step, 0.0398237 hours remaining, 109.652344 MB of memory in use. ENERGY: 463900 675.0197 1859.1846 2021.7051 101.8829 -13.3886 -1034.5673 176.1735 0.0000 2710.8128 6496.8228 299.4168 3786.0100 6531.5849 300.0665 PRESSURE: 464000 0 0 0 0 0 0 0 0 0 GPRESSURE: 464000 0 0 0 0 0 0 0 0 0 PRESSAVG: 464000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464000 0 0 0 0 0 0 0 0 0 TIMING: 464000 CPU: 1848.67, 0.00398082/step Wall: 1848.67, 0.00398082/step, 0.0398082 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 464000 662.0058 1956.6571 1997.7344 102.3197 -14.8405 -1055.6152 156.6271 0.0000 2685.5827 6490.4710 296.6301 3804.8883 6522.5092 300.3527 PRESSURE: 464100 0 0 0 0 0 0 0 0 0 GPRESSURE: 464100 0 0 0 0 0 0 0 0 0 PRESSAVG: 464100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464100 0 0 0 0 0 0 0 0 0 TIMING: 464100 CPU: 1849.06, 0.00397211/step Wall: 1849.06, 0.00397211/step, 0.0396108 hours remaining, 109.652344 MB of memory in use. ENERGY: 464100 641.2601 1916.0639 1989.6283 100.7719 -14.1618 -1052.7801 174.7970 0.0000 2696.6042 6452.1834 297.8474 3755.5792 6481.3209 299.3157 PRESSURE: 464200 0 0 0 0 0 0 0 0 0 GPRESSURE: 464200 0 0 0 0 0 0 0 0 0 PRESSAVG: 464200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464200 0 0 0 0 0 0 0 0 0 TIMING: 464200 CPU: 1849.46, 0.00397134/step Wall: 1849.46, 0.00397134/step, 0.0394928 hours remaining, 109.652344 MB of memory in use. ENERGY: 464200 627.7155 1927.6995 1998.3386 100.3907 -14.3058 -1071.8676 149.5588 0.0000 2722.0627 6439.5925 300.6594 3717.5298 6471.9205 298.7679 LDB: ============= START OF LOAD BALANCING ============== 1852.24 LDB: ============== END OF LOAD BALANCING =============== 1852.24 LDB: =============== DONE WITH MIGRATION ================ 1852.24 PRESSURE: 464300 0 0 0 0 0 0 0 0 0 GPRESSURE: 464300 0 0 0 0 0 0 0 0 0 PRESSAVG: 464300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464300 0 0 0 0 0 0 0 0 0 TIMING: 464300 CPU: 1849.86, 0.00398253/step Wall: 1849.86, 0.00398253/step, 0.0394934 hours remaining, 109.652344 MB of memory in use. ENERGY: 464300 696.7053 1879.0054 2009.8244 93.6597 -14.4206 -1048.2672 160.0913 0.0000 2702.5540 6479.1523 298.5046 3776.5983 6511.2292 301.5909 LDB: ============= START OF LOAD BALANCING ============== 1852.63 LDB: ============== END OF LOAD BALANCING =============== 1852.63 LDB: =============== DONE WITH MIGRATION ================ 1852.63 PRESSURE: 464400 0 0 0 0 0 0 0 0 0 GPRESSURE: 464400 0 0 0 0 0 0 0 0 0 PRESSAVG: 464400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464400 0 0 0 0 0 0 0 0 0 TIMING: 464400 CPU: 1850.26, 0.00397918/step Wall: 1850.26, 0.00397918/step, 0.0393497 hours remaining, 109.652344 MB of memory in use. ENERGY: 464400 628.5946 1930.7453 1997.1198 104.6964 -14.9804 -1003.3829 157.6873 0.0000 2674.0356 6474.5157 295.3547 3800.4801 6505.8678 300.4937 PRESSURE: 464500 0 0 0 0 0 0 0 0 0 GPRESSURE: 464500 0 0 0 0 0 0 0 0 0 PRESSAVG: 464500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464500 0 0 0 0 0 0 0 0 0 TIMING: 464500 CPU: 1850.65, 0.00398115/step Wall: 1850.65, 0.00398115/step, 0.0392586 hours remaining, 109.652344 MB of memory in use. ENERGY: 464500 660.4664 1872.4232 2016.8920 104.0651 -14.7439 -1037.3182 155.4390 0.0000 2709.2440 6466.4676 299.2435 3757.2236 6497.6194 298.5050 PRESSURE: 464600 0 0 0 0 0 0 0 0 0 GPRESSURE: 464600 0 0 0 0 0 0 0 0 0 PRESSAVG: 464600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464600 0 0 0 0 0 0 0 0 0 TIMING: 464600 CPU: 1851.05, 0.00397303/step Wall: 1851.05, 0.00397303/step, 0.0390681 hours remaining, 109.652344 MB of memory in use. ENERGY: 464600 661.0771 1863.5968 2033.1361 111.3314 -15.1598 -1048.9597 158.2509 0.0000 2677.2477 6440.5204 295.7095 3763.2727 6472.7978 299.8770 PRESSURE: 464700 0 0 0 0 0 0 0 0 0 GPRESSURE: 464700 0 0 0 0 0 0 0 0 0 PRESSAVG: 464700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464700 0 0 0 0 0 0 0 0 0 TIMING: 464700 CPU: 1851.45, 0.00397294/step Wall: 1851.45, 0.00397294/step, 0.0389569 hours remaining, 109.652344 MB of memory in use. ENERGY: 464700 648.7670 1908.4444 2014.8600 104.7649 -15.4610 -1032.4237 172.2346 0.0000 2694.2146 6495.4008 297.5835 3801.1862 6525.8362 298.7209 PRESSURE: 464800 0 0 0 0 0 0 0 0 0 GPRESSURE: 464800 0 0 0 0 0 0 0 0 0 PRESSAVG: 464800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464800 0 0 0 0 0 0 0 0 0 TIMING: 464800 CPU: 1851.85, 0.00397994/step Wall: 1851.85, 0.00397993/step, 0.0389149 hours remaining, 109.652344 MB of memory in use. ENERGY: 464800 665.5451 1860.3810 1999.7084 94.2486 -13.4186 -1022.6069 165.2752 0.0000 2734.2394 6483.3722 302.0044 3749.1328 6518.8178 300.3501 PRESSURE: 464900 0 0 0 0 0 0 0 0 0 GPRESSURE: 464900 0 0 0 0 0 0 0 0 0 PRESSAVG: 464900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 464900 0 0 0 0 0 0 0 0 0 TIMING: 464900 CPU: 1852.24, 0.00397029/step Wall: 1852.24, 0.0039703/step, 0.0387104 hours remaining, 109.652344 MB of memory in use. ENERGY: 464900 663.8780 1883.9048 1993.8844 99.3586 -14.1244 -1032.1504 150.9939 0.0000 2736.4297 6482.1748 302.2463 3745.7450 6513.2146 300.0141 PRESSURE: 465000 0 0 0 0 0 0 0 0 0 GPRESSURE: 465000 0 0 0 0 0 0 0 0 0 PRESSAVG: 465000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465000 0 0 0 0 0 0 0 0 0 TIMING: 465000 CPU: 1852.64, 0.00397838/step Wall: 1852.64, 0.00397838/step, 0.0386787 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 465000 682.5134 1866.9166 2021.8074 100.9266 -14.5766 -1071.2116 159.4923 0.0000 2758.5276 6504.3958 304.6871 3745.8682 6538.3927 299.1569 PRESSURE: 465100 0 0 0 0 0 0 0 0 0 GPRESSURE: 465100 0 0 0 0 0 0 0 0 0 PRESSAVG: 465100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465100 0 0 0 0 0 0 0 0 0 TIMING: 465100 CPU: 1853.04, 0.0039795/step Wall: 1853.04, 0.0039795/step, 0.0385791 hours remaining, 109.652344 MB of memory in use. ENERGY: 465100 643.7981 1900.7544 2029.5448 107.2803 -14.5670 -1053.9726 172.5420 0.0000 2723.0962 6508.4762 300.7736 3785.3800 6543.5847 300.3794 PRESSURE: 465200 0 0 0 0 0 0 0 0 0 GPRESSURE: 465200 0 0 0 0 0 0 0 0 0 PRESSAVG: 465200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465200 0 0 0 0 0 0 0 0 0 TIMING: 465200 CPU: 1853.44, 0.00397352/step Wall: 1853.44, 0.00397352/step, 0.0384107 hours remaining, 109.652344 MB of memory in use. ENERGY: 465200 668.6454 1899.9953 1996.2162 106.1864 -15.1324 -1026.3509 162.5815 0.0000 2739.7256 6531.8670 302.6103 3792.1414 6567.4315 300.7360 PRESSURE: 465300 0 0 0 0 0 0 0 0 0 GPRESSURE: 465300 0 0 0 0 0 0 0 0 0 PRESSAVG: 465300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465300 0 0 0 0 0 0 0 0 0 TIMING: 465300 CPU: 1853.83, 0.00398091/step Wall: 1853.83, 0.00398091/step, 0.0383715 hours remaining, 109.652344 MB of memory in use. ENERGY: 465300 667.2743 1904.4614 1982.5664 89.9889 -16.2513 -1027.3929 153.1536 0.0000 2768.7737 6522.5741 305.8188 3753.8004 6559.2476 301.9838 PRESSURE: 465400 0 0 0 0 0 0 0 0 0 GPRESSURE: 465400 0 0 0 0 0 0 0 0 0 PRESSAVG: 465400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465400 0 0 0 0 0 0 0 0 0 TIMING: 465400 CPU: 1854.23, 0.00397099/step Wall: 1854.23, 0.00397099/step, 0.0381656 hours remaining, 109.652344 MB of memory in use. ENERGY: 465400 695.0457 1922.0821 1970.5372 91.5908 -14.7930 -1089.3643 161.5126 0.0000 2747.3740 6483.9852 303.4551 3736.6111 6515.6540 301.2310 PRESSURE: 465500 0 0 0 0 0 0 0 0 0 GPRESSURE: 465500 0 0 0 0 0 0 0 0 0 PRESSAVG: 465500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465500 0 0 0 0 0 0 0 0 0 TIMING: 465500 CPU: 1854.63, 0.00397309/step Wall: 1854.63, 0.00397309/step, 0.0380755 hours remaining, 109.652344 MB of memory in use. ENERGY: 465500 645.4572 1858.3927 1997.2806 106.4389 -16.0778 -1049.3779 156.6559 0.0000 2750.9298 6449.6995 303.8479 3698.7697 6481.7731 299.5526 PRESSURE: 465600 0 0 0 0 0 0 0 0 0 GPRESSURE: 465600 0 0 0 0 0 0 0 0 0 PRESSAVG: 465600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465600 0 0 0 0 0 0 0 0 0 TIMING: 465600 CPU: 1855.03, 0.00398592/step Wall: 1855.03, 0.00398592/step, 0.0380877 hours remaining, 109.652344 MB of memory in use. ENERGY: 465600 671.1659 1867.1054 2008.9338 101.2006 -15.1327 -1075.4595 163.9485 0.0000 2662.5098 6384.2718 294.0816 3721.7620 6419.3419 297.1222 PRESSURE: 465700 0 0 0 0 0 0 0 0 0 GPRESSURE: 465700 0 0 0 0 0 0 0 0 0 PRESSAVG: 465700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465700 0 0 0 0 0 0 0 0 0 TIMING: 465700 CPU: 1855.42, 0.00397241/step Wall: 1855.42, 0.00397241/step, 0.0378483 hours remaining, 109.652344 MB of memory in use. ENERGY: 465700 662.3688 1864.5230 1988.0496 101.5885 -15.2267 -1060.1050 163.8797 0.0000 2664.6666 6369.7446 294.3198 3705.0780 6399.1808 294.2500 PRESSURE: 465800 0 0 0 0 0 0 0 0 0 GPRESSURE: 465800 0 0 0 0 0 0 0 0 0 PRESSAVG: 465800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465800 0 0 0 0 0 0 0 0 0 TIMING: 465800 CPU: 1855.82, 0.00397869/step Wall: 1855.82, 0.00397869/step, 0.0377975 hours remaining, 109.652344 MB of memory in use. ENERGY: 465800 682.5872 1857.1421 1982.3915 117.7894 -16.1265 -1072.6704 151.3946 0.0000 2631.9013 6334.4093 290.7008 3702.5080 6364.2593 293.6647 PRESSURE: 465900 0 0 0 0 0 0 0 0 0 GPRESSURE: 465900 0 0 0 0 0 0 0 0 0 PRESSAVG: 465900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 465900 0 0 0 0 0 0 0 0 0 TIMING: 465900 CPU: 1856.22, 0.00396941/step Wall: 1856.22, 0.00396941/step, 0.0375991 hours remaining, 109.652344 MB of memory in use. ENERGY: 465900 660.4889 1891.3184 2010.9920 117.0439 -14.1761 -1054.9732 151.8371 0.0000 2641.9793 6404.5103 291.8140 3762.5310 6437.0298 294.2685 PRESSURE: 466000 0 0 0 0 0 0 0 0 0 GPRESSURE: 466000 0 0 0 0 0 0 0 0 0 PRESSAVG: 466000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466000 0 0 0 0 0 0 0 0 0 TIMING: 466000 CPU: 1856.62, 0.00397371/step Wall: 1856.62, 0.00397371/step, 0.0375295 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 466000 625.8507 1873.5303 2001.1029 93.5220 -14.3856 -1032.5467 169.7513 0.0000 2677.9898 6394.8147 295.7914 3716.8249 6428.6137 295.3484 PRESSURE: 466100 0 0 0 0 0 0 0 0 0 GPRESSURE: 466100 0 0 0 0 0 0 0 0 0 PRESSAVG: 466100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466100 0 0 0 0 0 0 0 0 0 TIMING: 466100 CPU: 1857.02, 0.00398223/step Wall: 1857.02, 0.00398223/step, 0.0374993 hours remaining, 109.652344 MB of memory in use. ENERGY: 466100 629.7339 1871.5218 2006.8690 112.4166 -14.2328 -1033.7138 154.4690 0.0000 2737.9553 6465.0191 302.4148 3727.0637 6495.6460 296.6233 PRESSURE: 466200 0 0 0 0 0 0 0 0 0 GPRESSURE: 466200 0 0 0 0 0 0 0 0 0 PRESSAVG: 466200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466200 0 0 0 0 0 0 0 0 0 TIMING: 466200 CPU: 1857.41, 0.00397282/step Wall: 1857.41, 0.00397282/step, 0.0373004 hours remaining, 109.652344 MB of memory in use. ENERGY: 466200 662.1552 1901.5425 2003.7863 104.4771 -14.5844 -1047.3356 157.8458 0.0000 2662.8307 6430.7175 294.1171 3767.8868 6464.0882 296.7759 PRESSURE: 466300 0 0 0 0 0 0 0 0 0 GPRESSURE: 466300 0 0 0 0 0 0 0 0 0 PRESSAVG: 466300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466300 0 0 0 0 0 0 0 0 0 TIMING: 466300 CPU: 1857.81, 0.00397954/step Wall: 1857.81, 0.00397954/step, 0.0372529 hours remaining, 109.652344 MB of memory in use. ENERGY: 466300 636.0068 1875.5958 2016.0897 110.4364 -13.9834 -1031.1235 161.9076 0.0000 2647.8152 6402.7446 292.4586 3754.9294 6432.9980 295.4671 PRESSURE: 466400 0 0 0 0 0 0 0 0 0 GPRESSURE: 466400 0 0 0 0 0 0 0 0 0 PRESSAVG: 466400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466400 0 0 0 0 0 0 0 0 0 TIMING: 466400 CPU: 1858.21, 0.00397087/step Wall: 1858.21, 0.00397087/step, 0.0370615 hours remaining, 109.652344 MB of memory in use. ENERGY: 466400 594.2575 1900.5593 1985.6480 98.5827 -14.4489 -1074.4935 161.6152 0.0000 2727.6968 6379.4170 301.2817 3651.7202 6415.0282 295.0043 PRESSURE: 466500 0 0 0 0 0 0 0 0 0 GPRESSURE: 466500 0 0 0 0 0 0 0 0 0 PRESSAVG: 466500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466500 0 0 0 0 0 0 0 0 0 TIMING: 466500 CPU: 1858.6, 0.00397321/step Wall: 1858.6, 0.00397321/step, 0.0369729 hours remaining, 109.652344 MB of memory in use. ENERGY: 466500 655.6298 1848.8710 2005.6069 99.3783 -14.8048 -1053.1633 158.2289 0.0000 2724.9216 6424.6683 300.9752 3699.7467 6459.5684 293.9284 PRESSURE: 466600 0 0 0 0 0 0 0 0 0 GPRESSURE: 466600 0 0 0 0 0 0 0 0 0 PRESSAVG: 466600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466600 0 0 0 0 0 0 0 0 0 TIMING: 466600 CPU: 1859, 0.00398017/step Wall: 1859, 0.00398017/step, 0.0369271 hours remaining, 109.652344 MB of memory in use. ENERGY: 466600 634.5587 1869.9100 1997.9850 113.2692 -15.2844 -1028.0945 167.0710 0.0000 2697.5072 6436.9223 297.9472 3739.4151 6470.7294 296.6090 PRESSURE: 466700 0 0 0 0 0 0 0 0 0 GPRESSURE: 466700 0 0 0 0 0 0 0 0 0 PRESSAVG: 466700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466700 0 0 0 0 0 0 0 0 0 TIMING: 466700 CPU: 1859.4, 0.00397371/step Wall: 1859.4, 0.00397371/step, 0.0367568 hours remaining, 109.652344 MB of memory in use. ENERGY: 466700 651.6886 1840.7392 2028.1959 105.5252 -14.4837 -1022.0787 151.9863 0.0000 2691.9984 6433.5712 297.3387 3741.5728 6466.8762 297.9960 PRESSURE: 466800 0 0 0 0 0 0 0 0 0 GPRESSURE: 466800 0 0 0 0 0 0 0 0 0 PRESSAVG: 466800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466800 0 0 0 0 0 0 0 0 0 TIMING: 466800 CPU: 1859.8, 0.00397931/step Wall: 1859.8, 0.00397931/step, 0.0366981 hours remaining, 109.652344 MB of memory in use. ENERGY: 466800 632.5429 1850.5609 2025.3222 107.9306 -14.7393 -1026.3727 172.5148 0.0000 2717.8745 6465.6339 300.1968 3747.7594 6495.8938 297.6496 PRESSURE: 466900 0 0 0 0 0 0 0 0 0 GPRESSURE: 466900 0 0 0 0 0 0 0 0 0 PRESSAVG: 466900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 466900 0 0 0 0 0 0 0 0 0 TIMING: 466900 CPU: 1860.2, 0.00397119/step Wall: 1860.2, 0.00397119/step, 0.0365129 hours remaining, 109.652344 MB of memory in use. ENERGY: 466900 656.6129 1877.2132 2022.1973 106.9801 -14.8312 -1076.2009 159.7298 0.0000 2731.3274 6463.0287 301.6827 3731.7013 6494.4875 299.6919 PRESSURE: 467000 0 0 0 0 0 0 0 0 0 GPRESSURE: 467000 0 0 0 0 0 0 0 0 0 PRESSAVG: 467000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467000 0 0 0 0 0 0 0 0 0 TIMING: 467000 CPU: 1860.59, 0.00397247/step Wall: 1860.59, 0.00397247/step, 0.0364143 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 467000 622.9393 1841.4385 2012.1029 107.7509 -13.6768 -1032.3844 174.4571 0.0000 2805.5219 6518.1493 309.8777 3712.6275 6552.8125 299.3696 PRESSURE: 467100 0 0 0 0 0 0 0 0 0 GPRESSURE: 467100 0 0 0 0 0 0 0 0 0 PRESSAVG: 467100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467100 0 0 0 0 0 0 0 0 0 TIMING: 467100 CPU: 1860.99, 0.00397888/step Wall: 1860.99, 0.00397888/step, 0.0363625 hours remaining, 109.652344 MB of memory in use. ENERGY: 467100 660.6260 1871.4414 2030.8990 102.7005 -14.5301 -1053.6802 156.7369 0.0000 2724.2486 6478.4422 300.9009 3754.1936 6512.5075 301.0764 PRESSURE: 467200 0 0 0 0 0 0 0 0 0 GPRESSURE: 467200 0 0 0 0 0 0 0 0 0 PRESSAVG: 467200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467200 0 0 0 0 0 0 0 0 0 TIMING: 467200 CPU: 1861.39, 0.00397138/step Wall: 1861.39, 0.00397138/step, 0.0361837 hours remaining, 109.652344 MB of memory in use. ENERGY: 467200 612.7682 1912.3362 2038.1280 112.5669 -15.0285 -1038.2744 160.9665 0.0000 2697.0358 6480.4987 297.8951 3783.4629 6513.5504 300.0885 PRESSURE: 467300 0 0 0 0 0 0 0 0 0 GPRESSURE: 467300 0 0 0 0 0 0 0 0 0 PRESSAVG: 467300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467300 0 0 0 0 0 0 0 0 0 TIMING: 467300 CPU: 1861.79, 0.00397868/step Wall: 1861.79, 0.00397868/step, 0.0361397 hours remaining, 109.652344 MB of memory in use. ENERGY: 467300 644.4761 1885.6869 2011.4538 108.8934 -14.2828 -1018.9635 155.3550 0.0000 2724.2949 6496.9138 300.9060 3772.6189 6527.5671 300.6454 PRESSURE: 467400 0 0 0 0 0 0 0 0 0 GPRESSURE: 467400 0 0 0 0 0 0 0 0 0 PRESSAVG: 467400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467400 0 0 0 0 0 0 0 0 0 TIMING: 467400 CPU: 1862.18, 0.00396945/step Wall: 1862.18, 0.00396945/step, 0.0359456 hours remaining, 109.652344 MB of memory in use. ENERGY: 467400 645.4258 1845.9248 2027.2125 98.0943 -14.1846 -1061.0391 169.3310 0.0000 2777.0300 6487.7948 306.7307 3710.7647 6524.4802 301.5653 PRESSURE: 467500 0 0 0 0 0 0 0 0 0 GPRESSURE: 467500 0 0 0 0 0 0 0 0 0 PRESSAVG: 467500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467500 0 0 0 0 0 0 0 0 0 TIMING: 467500 CPU: 1862.58, 0.00397271/step Wall: 1862.58, 0.00397271/step, 0.0358647 hours remaining, 109.652344 MB of memory in use. ENERGY: 467500 624.2524 1861.8134 2019.0421 109.4734 -14.0076 -1026.7235 155.7050 0.0000 2760.4148 6489.9700 304.8955 3729.5552 6524.3518 301.3945 PRESSURE: 467600 0 0 0 0 0 0 0 0 0 GPRESSURE: 467600 0 0 0 0 0 0 0 0 0 PRESSAVG: 467600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467600 0 0 0 0 0 0 0 0 0 TIMING: 467600 CPU: 1862.98, 0.00397802/step Wall: 1862.98, 0.00397802/step, 0.0358022 hours remaining, 109.652344 MB of memory in use. ENERGY: 467600 662.0272 1819.9609 2026.6813 102.4875 -14.1002 -1033.5696 171.7046 0.0000 2715.3031 6450.4948 299.9128 3735.1917 6485.5728 299.3595 PRESSURE: 467700 0 0 0 0 0 0 0 0 0 GPRESSURE: 467700 0 0 0 0 0 0 0 0 0 PRESSAVG: 467700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467700 0 0 0 0 0 0 0 0 0 TIMING: 467700 CPU: 1863.37, 0.0039744/step Wall: 1863.37, 0.0039744/step, 0.0356592 hours remaining, 109.652344 MB of memory in use. ENERGY: 467700 677.6437 1830.2420 2022.2056 108.7727 -14.5267 -1008.9984 158.6521 0.0000 2651.0558 6425.0468 292.8165 3773.9910 6455.5890 298.1176 PRESSURE: 467800 0 0 0 0 0 0 0 0 0 GPRESSURE: 467800 0 0 0 0 0 0 0 0 0 PRESSAVG: 467800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467800 0 0 0 0 0 0 0 0 0 TIMING: 467800 CPU: 1863.77, 0.00397973/step Wall: 1863.77, 0.00397973/step, 0.0355965 hours remaining, 109.652344 MB of memory in use. ENERGY: 467800 633.7154 1850.1862 1992.3073 109.6563 -13.7647 -1058.9232 161.5357 0.0000 2739.0162 6413.7291 302.5320 3674.7129 6449.1041 296.6355 PRESSURE: 467900 0 0 0 0 0 0 0 0 0 GPRESSURE: 467900 0 0 0 0 0 0 0 0 0 PRESSAVG: 467900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 467900 0 0 0 0 0 0 0 0 0 TIMING: 467900 CPU: 1864.17, 0.00397205/step Wall: 1864.17, 0.00397205/step, 0.0354174 hours remaining, 109.652344 MB of memory in use. ENERGY: 467900 646.1860 1938.0669 2002.2830 96.9603 -14.4439 -1059.3373 177.9069 0.0000 2630.4103 6418.0322 290.5361 3787.6219 6449.2212 297.6609 PRESSURE: 468000 0 0 0 0 0 0 0 0 0 GPRESSURE: 468000 0 0 0 0 0 0 0 0 0 PRESSAVG: 468000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468000 0 0 0 0 0 0 0 0 0 TIMING: 468000 CPU: 1864.57, 0.00397392/step Wall: 1864.57, 0.00397391/step, 0.0353237 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 468000 660.0614 1833.6024 1997.1726 112.5335 -13.9412 -1030.4979 173.0742 0.0000 2678.5788 6410.5838 295.8565 3732.0051 6439.8836 295.9259 PRESSURE: 468100 0 0 0 0 0 0 0 0 0 GPRESSURE: 468100 0 0 0 0 0 0 0 0 0 PRESSAVG: 468100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468100 0 0 0 0 0 0 0 0 0 TIMING: 468100 CPU: 1864.97, 0.00398585/step Wall: 1864.97, 0.00398586/step, 0.0353192 hours remaining, 109.652344 MB of memory in use. ENERGY: 468100 660.8686 1880.7743 1985.4825 100.2895 -13.9911 -1050.3042 172.8149 0.0000 2705.1688 6441.1032 298.7934 3735.9344 6474.6212 296.7786 PRESSURE: 468200 0 0 0 0 0 0 0 0 0 GPRESSURE: 468200 0 0 0 0 0 0 0 0 0 PRESSAVG: 468200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468200 0 0 0 0 0 0 0 0 0 TIMING: 468200 CPU: 1865.36, 0.00397088/step Wall: 1865.36, 0.00397088/step, 0.0350761 hours remaining, 109.652344 MB of memory in use. ENERGY: 468200 660.9390 1910.1120 1977.8294 115.7584 -13.3600 -1039.8309 168.9606 0.0000 2664.3451 6444.7535 294.2843 3780.4084 6475.1237 298.5985 LDB: ============= START OF LOAD BALANCING ============== 1868.14 LDB: ============== END OF LOAD BALANCING =============== 1868.14 LDB: =============== DONE WITH MIGRATION ================ 1868.14 PRESSURE: 468300 0 0 0 0 0 0 0 0 0 GPRESSURE: 468300 0 0 0 0 0 0 0 0 0 PRESSAVG: 468300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468300 0 0 0 0 0 0 0 0 0 TIMING: 468300 CPU: 1865.76, 0.00397992/step Wall: 1865.76, 0.00397992/step, 0.0350454 hours remaining, 109.652344 MB of memory in use. ENERGY: 468300 659.0390 1880.7078 1996.1590 97.7054 -13.4774 -1042.8036 165.8110 0.0000 2723.4726 6466.6138 300.8151 3743.1412 6498.1813 298.9168 LDB: ============= START OF LOAD BALANCING ============== 1868.54 LDB: ============== END OF LOAD BALANCING =============== 1868.54 LDB: =============== DONE WITH MIGRATION ================ 1868.54 PRESSURE: 468400 0 0 0 0 0 0 0 0 0 GPRESSURE: 468400 0 0 0 0 0 0 0 0 0 PRESSAVG: 468400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468400 0 0 0 0 0 0 0 0 0 TIMING: 468400 CPU: 1866.16, 0.00397903/step Wall: 1866.16, 0.00397903/step, 0.034927 hours remaining, 109.652344 MB of memory in use. ENERGY: 468400 669.9664 1903.0528 2003.1104 111.7320 -13.8788 -1054.3043 167.2004 0.0000 2685.7757 6472.6547 296.6514 3786.8790 6506.6409 298.8463 PRESSURE: 468500 0 0 0 0 0 0 0 0 0 GPRESSURE: 468500 0 0 0 0 0 0 0 0 0 PRESSAVG: 468500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468500 0 0 0 0 0 0 0 0 0 TIMING: 468500 CPU: 1866.56, 0.00397327/step Wall: 1866.56, 0.00397327/step, 0.0347661 hours remaining, 109.652344 MB of memory in use. ENERGY: 468500 633.2882 1879.4859 2009.0468 108.5498 -13.1118 -1009.2083 173.3989 0.0000 2695.2766 6476.7261 297.7008 3781.4495 6510.4334 299.8676 PRESSURE: 468600 0 0 0 0 0 0 0 0 0 GPRESSURE: 468600 0 0 0 0 0 0 0 0 0 PRESSAVG: 468600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468600 0 0 0 0 0 0 0 0 0 TIMING: 468600 CPU: 1866.95, 0.00398047/step Wall: 1866.95, 0.00398047/step, 0.0347185 hours remaining, 109.652344 MB of memory in use. ENERGY: 468600 689.5490 1850.3356 2004.4481 101.1304 -12.8248 -1047.9253 167.8103 0.0000 2716.2986 6468.8219 300.0227 3752.5233 6503.6035 298.9742 PRESSURE: 468700 0 0 0 0 0 0 0 0 0 GPRESSURE: 468700 0 0 0 0 0 0 0 0 0 PRESSAVG: 468700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468700 0 0 0 0 0 0 0 0 0 TIMING: 468700 CPU: 1867.35, 0.00397382/step Wall: 1867.35, 0.00397382/step, 0.0345502 hours remaining, 109.652344 MB of memory in use. ENERGY: 468700 661.7824 1869.0389 2031.1248 105.5985 -13.2637 -1016.7190 148.2270 0.0000 2708.6989 6494.4878 299.1833 3785.7889 6527.0032 298.2024 PRESSURE: 468800 0 0 0 0 0 0 0 0 0 GPRESSURE: 468800 0 0 0 0 0 0 0 0 0 PRESSAVG: 468800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468800 0 0 0 0 0 0 0 0 0 TIMING: 468800 CPU: 1867.75, 0.00398142/step Wall: 1867.75, 0.00398142/step, 0.0345056 hours remaining, 109.652344 MB of memory in use. ENERGY: 468800 649.4087 1905.8393 2016.4339 104.5147 -13.3041 -1042.8887 166.0297 0.0000 2715.7332 6501.7668 299.9603 3786.0335 6535.6518 300.3543 PRESSURE: 468900 0 0 0 0 0 0 0 0 0 GPRESSURE: 468900 0 0 0 0 0 0 0 0 0 PRESSAVG: 468900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 468900 0 0 0 0 0 0 0 0 0 TIMING: 468900 CPU: 1868.15, 0.00397338/step Wall: 1868.15, 0.00397338/step, 0.0343256 hours remaining, 109.652344 MB of memory in use. ENERGY: 468900 667.7391 1913.4183 2017.3111 106.3864 -15.6122 -1032.9279 148.7922 0.0000 2698.8960 6504.0030 298.1006 3805.1070 6534.1047 302.8427 PRESSURE: 469000 0 0 0 0 0 0 0 0 0 GPRESSURE: 469000 0 0 0 0 0 0 0 0 0 PRESSAVG: 469000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469000 0 0 0 0 0 0 0 0 0 TIMING: 469000 CPU: 1868.54, 0.00396895/step Wall: 1868.54, 0.00396895/step, 0.0341771 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 469000 655.7525 1927.6458 1992.7730 105.0567 -13.9923 -1070.9655 183.6676 0.0000 2713.2774 6493.2152 299.6891 3779.9377 6523.1259 300.7379 PRESSURE: 469100 0 0 0 0 0 0 0 0 0 GPRESSURE: 469100 0 0 0 0 0 0 0 0 0 PRESSAVG: 469100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469100 0 0 0 0 0 0 0 0 0 TIMING: 469100 CPU: 1868.94, 0.00398135/step Wall: 1868.94, 0.00398135/step, 0.0341732 hours remaining, 109.652344 MB of memory in use. ENERGY: 469100 690.0665 1871.9799 2002.9205 118.1580 -14.7705 -1072.6892 166.9708 0.0000 2762.0464 6524.6823 305.0757 3762.6358 6556.5389 299.9616 PRESSURE: 469200 0 0 0 0 0 0 0 0 0 GPRESSURE: 469200 0 0 0 0 0 0 0 0 0 PRESSAVG: 469200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469200 0 0 0 0 0 0 0 0 0 TIMING: 469200 CPU: 1869.34, 0.00397161/step Wall: 1869.34, 0.00397161/step, 0.0339793 hours remaining, 109.652344 MB of memory in use. ENERGY: 469200 674.1033 1921.9461 1998.0711 112.3218 -14.0495 -1021.8487 159.5974 0.0000 2694.5976 6524.7392 297.6258 3830.1417 6556.2191 301.7683 PRESSURE: 469300 0 0 0 0 0 0 0 0 0 GPRESSURE: 469300 0 0 0 0 0 0 0 0 0 PRESSAVG: 469300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469300 0 0 0 0 0 0 0 0 0 TIMING: 469300 CPU: 1869.74, 0.00397786/step Wall: 1869.74, 0.00397786/step, 0.0339223 hours remaining, 109.652344 MB of memory in use. ENERGY: 469300 668.4506 1884.0520 2031.9400 98.3657 -14.4120 -1054.4346 164.5756 0.0000 2751.6108 6530.1480 303.9231 3778.5372 6563.9971 303.1184 PRESSURE: 469400 0 0 0 0 0 0 0 0 0 GPRESSURE: 469400 0 0 0 0 0 0 0 0 0 PRESSAVG: 469400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469400 0 0 0 0 0 0 0 0 0 TIMING: 469400 CPU: 1870.13, 0.00396983/step Wall: 1870.13, 0.00396983/step, 0.0337436 hours remaining, 109.652344 MB of memory in use. ENERGY: 469400 683.9737 1852.7188 2017.4520 98.8245 -14.2043 -1046.2733 166.0375 0.0000 2729.4623 6487.9912 301.4767 3758.5289 6521.4197 301.4750 PRESSURE: 469500 0 0 0 0 0 0 0 0 0 GPRESSURE: 469500 0 0 0 0 0 0 0 0 0 PRESSAVG: 469500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469500 0 0 0 0 0 0 0 0 0 TIMING: 469500 CPU: 1870.53, 0.00397194/step Wall: 1870.53, 0.00397194/step, 0.0336512 hours remaining, 109.652344 MB of memory in use. ENERGY: 469500 663.8810 1929.2755 2013.2566 97.4569 -14.5181 -1026.6537 164.2641 0.0000 2708.9817 6535.9440 299.2146 3826.9623 6567.1424 301.3066 PRESSURE: 469600 0 0 0 0 0 0 0 0 0 GPRESSURE: 469600 0 0 0 0 0 0 0 0 0 PRESSAVG: 469600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469600 0 0 0 0 0 0 0 0 0 TIMING: 469600 CPU: 1870.93, 0.00399772/step Wall: 1870.93, 0.00399772/step, 0.0337585 hours remaining, 109.652344 MB of memory in use. ENERGY: 469600 664.5971 1899.3721 2031.2485 95.3259 -14.7835 -1030.9787 166.2185 0.0000 2711.5881 6522.5880 299.5025 3811.0000 6555.2811 302.6477 PRESSURE: 469700 0 0 0 0 0 0 0 0 0 GPRESSURE: 469700 0 0 0 0 0 0 0 0 0 PRESSAVG: 469700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469700 0 0 0 0 0 0 0 0 0 TIMING: 469700 CPU: 1871.33, 0.00397221/step Wall: 1871.33, 0.00397221/step, 0.0334328 hours remaining, 109.652344 MB of memory in use. ENERGY: 469700 706.5932 1906.8653 2053.6295 101.6520 -15.2873 -1052.7489 156.9992 0.0000 2729.2458 6586.9486 301.4528 3857.7029 6618.8695 303.6787 PRESSURE: 469800 0 0 0 0 0 0 0 0 0 GPRESSURE: 469800 0 0 0 0 0 0 0 0 0 PRESSAVG: 469800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469800 0 0 0 0 0 0 0 0 0 TIMING: 469800 CPU: 1871.73, 0.00398229/step Wall: 1871.73, 0.00398229/step, 0.033407 hours remaining, 109.652344 MB of memory in use. ENERGY: 469800 650.9031 1868.6853 2021.6615 108.4559 -15.6951 -1019.6799 150.0168 0.0000 2785.1588 6549.5065 307.6285 3764.3477 6588.0435 304.6425 PRESSURE: 469900 0 0 0 0 0 0 0 0 0 GPRESSURE: 469900 0 0 0 0 0 0 0 0 0 PRESSAVG: 469900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 469900 0 0 0 0 0 0 0 0 0 TIMING: 469900 CPU: 1872.12, 0.00397284/step Wall: 1872.12, 0.00397284/step, 0.0332174 hours remaining, 109.652344 MB of memory in use. ENERGY: 469900 685.7932 1878.2780 2032.4644 112.2485 -14.7429 -1003.7253 155.6639 0.0000 2722.3383 6568.3182 300.6898 3845.9799 6599.9585 302.5590 PRESSURE: 470000 0 0 0 0 0 0 0 0 0 GPRESSURE: 470000 0 0 0 0 0 0 0 0 0 PRESSAVG: 470000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470000 0 0 0 0 0 0 0 0 0 TIMING: 470000 CPU: 1872.52, 0.00397453/step Wall: 1872.52, 0.00397453/step, 0.0331211 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 470000 662.4068 1888.0015 2013.4067 98.9896 -14.7814 -1045.9419 178.0922 0.0000 2771.6831 6551.8566 306.1401 3780.1735 6587.0308 304.8231 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 470000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 470000 WRITING COORDINATES TO RESTART FILE AT STEP 470000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 470000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 470100 0 0 0 0 0 0 0 0 0 GPRESSURE: 470100 0 0 0 0 0 0 0 0 0 PRESSAVG: 470100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470100 0 0 0 0 0 0 0 0 0 TIMING: 470100 CPU: 1872.95, 0.00432062/step Wall: 1872.95, 0.00432062/step, 0.0358851 hours remaining, 109.652344 MB of memory in use. ENERGY: 470100 662.5198 1858.8845 2015.8668 101.5749 -14.8419 -1033.4375 171.2284 0.0000 2756.1343 6517.9292 304.4227 3761.7949 6551.5346 303.5402 PRESSURE: 470200 0 0 0 0 0 0 0 0 0 GPRESSURE: 470200 0 0 0 0 0 0 0 0 0 PRESSAVG: 470200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470200 0 0 0 0 0 0 0 0 0 TIMING: 470200 CPU: 1873.35, 0.00397494/step Wall: 1873.35, 0.00397494/step, 0.0329037 hours remaining, 109.652344 MB of memory in use. ENERGY: 470200 658.4691 1909.2818 2013.4163 90.8661 -14.8602 -1031.1601 158.5664 0.0000 2706.5810 6491.1606 298.9494 3784.5795 6524.2030 301.2146 PRESSURE: 470300 0 0 0 0 0 0 0 0 0 GPRESSURE: 470300 0 0 0 0 0 0 0 0 0 PRESSAVG: 470300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470300 0 0 0 0 0 0 0 0 0 TIMING: 470300 CPU: 1873.75, 0.00398191/step Wall: 1873.75, 0.00398191/step, 0.0328508 hours remaining, 109.652344 MB of memory in use. ENERGY: 470300 677.7423 1881.5298 1994.9404 100.5762 -13.5829 -1020.9171 161.4141 0.0000 2708.7869 6490.4896 299.1931 3781.7027 6522.4328 300.7494 PRESSURE: 470400 0 0 0 0 0 0 0 0 0 GPRESSURE: 470400 0 0 0 0 0 0 0 0 0 PRESSAVG: 470400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470400 0 0 0 0 0 0 0 0 0 TIMING: 470400 CPU: 1874.15, 0.00396911/step Wall: 1874.15, 0.00396911/step, 0.0326349 hours remaining, 109.652344 MB of memory in use. ENERGY: 470400 653.8004 1878.5160 2004.4346 101.2833 -15.1187 -1045.9044 173.8250 0.0000 2697.7828 6448.6191 297.9776 3750.8363 6481.8499 300.9673 PRESSURE: 470500 0 0 0 0 0 0 0 0 0 GPRESSURE: 470500 0 0 0 0 0 0 0 0 0 PRESSAVG: 470500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470500 0 0 0 0 0 0 0 0 0 TIMING: 470500 CPU: 1874.54, 0.00397044/step Wall: 1874.54, 0.00397043/step, 0.0325355 hours remaining, 109.652344 MB of memory in use. ENERGY: 470500 675.6958 1847.4682 2008.0659 108.4086 -13.5365 -1062.3165 158.1839 0.0000 2723.2823 6445.2516 300.7941 3721.9693 6478.3844 298.7471 PRESSURE: 470600 0 0 0 0 0 0 0 0 0 GPRESSURE: 470600 0 0 0 0 0 0 0 0 0 PRESSAVG: 470600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470600 0 0 0 0 0 0 0 0 0 TIMING: 470600 CPU: 1874.94, 0.00397583/step Wall: 1874.94, 0.00397584/step, 0.0324694 hours remaining, 109.652344 MB of memory in use. ENERGY: 470600 635.3367 1874.2935 2015.8795 103.1992 -15.2775 -1023.2274 176.7317 0.0000 2710.4272 6477.3630 299.3742 3766.9358 6511.3438 300.3579 PRESSURE: 470700 0 0 0 0 0 0 0 0 0 GPRESSURE: 470700 0 0 0 0 0 0 0 0 0 PRESSAVG: 470700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470700 0 0 0 0 0 0 0 0 0 TIMING: 470700 CPU: 1875.34, 0.00397001/step Wall: 1875.34, 0.00397001/step, 0.0323115 hours remaining, 109.652344 MB of memory in use. ENERGY: 470700 653.7100 1939.5449 2014.2687 101.8292 -13.5268 -1061.2673 153.1733 0.0000 2699.0571 6486.7892 298.1184 3787.7320 6516.6308 300.8671 PRESSURE: 470800 0 0 0 0 0 0 0 0 0 GPRESSURE: 470800 0 0 0 0 0 0 0 0 0 PRESSAVG: 470800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470800 0 0 0 0 0 0 0 0 0 TIMING: 470800 CPU: 1875.77, 0.00429596/step Wall: 1875.77, 0.00429596/step, 0.034845 hours remaining, 109.652344 MB of memory in use. ENERGY: 470800 651.2231 1871.4825 2002.1327 94.0238 -13.6066 -1033.8226 170.8746 0.0000 2712.0352 6454.3427 299.5518 3742.3075 6484.9120 300.0980 PRESSURE: 470900 0 0 0 0 0 0 0 0 0 GPRESSURE: 470900 0 0 0 0 0 0 0 0 0 PRESSAVG: 470900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 470900 0 0 0 0 0 0 0 0 0 TIMING: 470900 CPU: 1876.16, 0.00397174/step Wall: 1876.16, 0.00397173/step, 0.0321048 hours remaining, 109.652344 MB of memory in use. ENERGY: 470900 644.4427 1924.0813 1999.8275 93.7908 -13.3703 -1029.4870 168.2538 0.0000 2656.2011 6443.7399 293.3848 3787.5388 6473.9673 298.4683 PRESSURE: 471000 0 0 0 0 0 0 0 0 0 GPRESSURE: 471000 0 0 0 0 0 0 0 0 0 PRESSAVG: 471000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471000 0 0 0 0 0 0 0 0 0 TIMING: 471000 CPU: 1876.56, 0.00397325/step Wall: 1876.56, 0.00397326/step, 0.0320068 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 471000 646.3635 1834.7569 1993.8501 98.6541 -14.0307 -1000.6277 168.7048 0.0000 2708.3338 6436.0050 299.1430 3727.6712 6470.9956 297.7567 PRESSURE: 471100 0 0 0 0 0 0 0 0 0 GPRESSURE: 471100 0 0 0 0 0 0 0 0 0 PRESSAVG: 471100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471100 0 0 0 0 0 0 0 0 0 TIMING: 471100 CPU: 1876.96, 0.00397475/step Wall: 1876.96, 0.00397475/step, 0.0319084 hours remaining, 109.652344 MB of memory in use. ENERGY: 471100 634.0731 1884.3690 2004.9060 89.6822 -14.3542 -1021.3729 157.4740 0.0000 2704.6792 6439.4564 298.7394 3734.7772 6472.9463 297.7313 PRESSURE: 471200 0 0 0 0 0 0 0 0 0 GPRESSURE: 471200 0 0 0 0 0 0 0 0 0 PRESSAVG: 471200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471200 0 0 0 0 0 0 0 0 0 TIMING: 471200 CPU: 1877.36, 0.00397182/step Wall: 1877.36, 0.00397182/step, 0.0317746 hours remaining, 109.652344 MB of memory in use. ENERGY: 471200 656.0227 1917.5211 1992.6546 96.1931 -14.2769 -1042.4237 156.8729 0.0000 2690.7845 6453.3483 297.2046 3762.5638 6488.8881 300.1648 PRESSURE: 471300 0 0 0 0 0 0 0 0 0 GPRESSURE: 471300 0 0 0 0 0 0 0 0 0 PRESSAVG: 471300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471300 0 0 0 0 0 0 0 0 0 TIMING: 471300 CPU: 1877.75, 0.00396994/step Wall: 1877.75, 0.00396994/step, 0.0316493 hours remaining, 109.652344 MB of memory in use. ENERGY: 471300 648.4243 1874.2359 2026.8790 112.3071 -15.9309 -1070.1014 153.7724 0.0000 2732.0358 6461.6220 301.7610 3729.5862 6491.9021 299.2606 PRESSURE: 471400 0 0 0 0 0 0 0 0 0 GPRESSURE: 471400 0 0 0 0 0 0 0 0 0 PRESSAVG: 471400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471400 0 0 0 0 0 0 0 0 0 TIMING: 471400 CPU: 1878.15, 0.00397056/step Wall: 1878.15, 0.00397056/step, 0.0315439 hours remaining, 109.652344 MB of memory in use. ENERGY: 471400 688.4343 1907.9160 2014.4409 103.5248 -15.3470 -1064.2916 149.4623 0.0000 2680.9004 6465.0402 296.1129 3784.1397 6496.6808 298.1792 PRESSURE: 471500 0 0 0 0 0 0 0 0 0 GPRESSURE: 471500 0 0 0 0 0 0 0 0 0 PRESSAVG: 471500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471500 0 0 0 0 0 0 0 0 0 TIMING: 471500 CPU: 1878.55, 0.00397337/step Wall: 1878.55, 0.00397337/step, 0.0314558 hours remaining, 109.652344 MB of memory in use. ENERGY: 471500 679.1534 1916.9271 2007.3996 107.0247 -14.4321 -1062.1355 156.5952 0.0000 2701.2101 6491.7426 298.3562 3790.5324 6522.7220 299.5567 PRESSURE: 471600 0 0 0 0 0 0 0 0 0 GPRESSURE: 471600 0 0 0 0 0 0 0 0 0 PRESSAVG: 471600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471600 0 0 0 0 0 0 0 0 0 TIMING: 471600 CPU: 1878.95, 0.00397394/step Wall: 1878.95, 0.00397394/step, 0.03135 hours remaining, 109.652344 MB of memory in use. ENERGY: 471600 631.3959 1854.0644 2014.2406 101.4520 -14.1443 -1003.4980 173.4019 0.0000 2715.7772 6472.6896 299.9652 3756.9124 6505.7435 299.1980 PRESSURE: 471700 0 0 0 0 0 0 0 0 0 GPRESSURE: 471700 0 0 0 0 0 0 0 0 0 PRESSAVG: 471700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471700 0 0 0 0 0 0 0 0 0 TIMING: 471700 CPU: 1879.34, 0.00397215/step Wall: 1879.34, 0.00397214/step, 0.0312254 hours remaining, 109.652344 MB of memory in use. ENERGY: 471700 679.7342 1895.9907 2017.3722 108.4601 -13.9969 -1049.9911 149.3439 0.0000 2737.0927 6524.0056 302.3195 3786.9129 6557.2433 300.8167 PRESSURE: 471800 0 0 0 0 0 0 0 0 0 GPRESSURE: 471800 0 0 0 0 0 0 0 0 0 PRESSAVG: 471800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471800 0 0 0 0 0 0 0 0 0 TIMING: 471800 CPU: 1879.74, 0.00397184/step Wall: 1879.74, 0.00397185/step, 0.0311128 hours remaining, 109.652344 MB of memory in use. ENERGY: 471800 655.5695 1886.7466 2001.5725 103.2660 -14.1384 -1022.7377 165.8100 0.0000 2745.1118 6521.2002 303.2052 3776.0884 6552.0734 303.1444 PRESSURE: 471900 0 0 0 0 0 0 0 0 0 GPRESSURE: 471900 0 0 0 0 0 0 0 0 0 PRESSAVG: 471900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 471900 0 0 0 0 0 0 0 0 0 TIMING: 471900 CPU: 1880.14, 0.0039743/step Wall: 1880.14, 0.0039743/step, 0.0310216 hours remaining, 109.652344 MB of memory in use. ENERGY: 471900 667.3082 1849.4984 2007.4731 101.8225 -14.0985 -1013.9138 159.9480 0.0000 2733.8426 6491.8805 301.9605 3758.0379 6523.3211 301.1009 PRESSURE: 472000 0 0 0 0 0 0 0 0 0 GPRESSURE: 472000 0 0 0 0 0 0 0 0 0 PRESSAVG: 472000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472000 0 0 0 0 0 0 0 0 0 TIMING: 472000 CPU: 1880.53, 0.00397265/step Wall: 1880.53, 0.00397265/step, 0.0308984 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 472000 639.3286 1895.1983 1999.3435 106.6431 -14.4119 -1043.6525 175.8384 0.0000 2740.5996 6498.8870 302.7069 3758.2874 6534.4619 300.7665 PRESSURE: 472100 0 0 0 0 0 0 0 0 0 GPRESSURE: 472100 0 0 0 0 0 0 0 0 0 PRESSAVG: 472100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472100 0 0 0 0 0 0 0 0 0 TIMING: 472100 CPU: 1880.93, 0.00397264/step Wall: 1880.93, 0.00397264/step, 0.030788 hours remaining, 109.652344 MB of memory in use. ENERGY: 472100 662.1699 1879.4271 1991.6259 95.3839 -14.5486 -1036.0795 157.6295 0.0000 2752.1484 6487.7566 303.9825 3735.6083 6521.0782 300.5148 PRESSURE: 472200 0 0 0 0 0 0 0 0 0 GPRESSURE: 472200 0 0 0 0 0 0 0 0 0 PRESSAVG: 472200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472200 0 0 0 0 0 0 0 0 0 TIMING: 472200 CPU: 1881.33, 0.00397328/step Wall: 1881.33, 0.00397328/step, 0.0306825 hours remaining, 109.652344 MB of memory in use. ENERGY: 472200 653.2235 1858.1458 2020.4387 97.6396 -15.2191 -1030.0423 151.9849 0.0000 2740.2476 6476.4188 302.6680 3736.1712 6510.8567 299.3825 LDB: ============= START OF LOAD BALANCING ============== 1884.1 LDB: ============== END OF LOAD BALANCING =============== 1884.1 LDB: =============== DONE WITH MIGRATION ================ 1884.1 PRESSURE: 472300 0 0 0 0 0 0 0 0 0 GPRESSURE: 472300 0 0 0 0 0 0 0 0 0 PRESSAVG: 472300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472300 0 0 0 0 0 0 0 0 0 TIMING: 472300 CPU: 1881.73, 0.00397866/step Wall: 1881.73, 0.00397866/step, 0.0306136 hours remaining, 109.652344 MB of memory in use. ENERGY: 472300 691.8613 1898.4936 2003.7934 99.9259 -13.8833 -1087.4506 165.0349 0.0000 2720.9561 6478.7314 300.5372 3757.7753 6512.3168 300.9766 LDB: ============= START OF LOAD BALANCING ============== 1884.5 LDB: ============== END OF LOAD BALANCING =============== 1884.5 LDB: =============== DONE WITH MIGRATION ================ 1884.5 PRESSURE: 472400 0 0 0 0 0 0 0 0 0 GPRESSURE: 472400 0 0 0 0 0 0 0 0 0 PRESSAVG: 472400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472400 0 0 0 0 0 0 0 0 0 TIMING: 472400 CPU: 1882.12, 0.00398068/step Wall: 1882.12, 0.00398068/step, 0.0305186 hours remaining, 109.652344 MB of memory in use. ENERGY: 472400 635.0616 1933.3087 2006.6080 111.3486 -13.5957 -1030.0499 154.6927 0.0000 2685.0355 6482.4094 296.5697 3797.3739 6515.9136 300.5630 PRESSURE: 472500 0 0 0 0 0 0 0 0 0 GPRESSURE: 472500 0 0 0 0 0 0 0 0 0 PRESSAVG: 472500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472500 0 0 0 0 0 0 0 0 0 TIMING: 472500 CPU: 1882.52, 0.0039723/step Wall: 1882.52, 0.0039723/step, 0.030344 hours remaining, 109.652344 MB of memory in use. ENERGY: 472500 655.0895 1867.2145 1996.0292 87.9007 -13.9488 -1017.9447 154.7319 0.0000 2755.4076 6484.4799 304.3424 3729.0723 6518.8706 300.7006 PRESSURE: 472600 0 0 0 0 0 0 0 0 0 GPRESSURE: 472600 0 0 0 0 0 0 0 0 0 PRESSAVG: 472600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472600 0 0 0 0 0 0 0 0 0 TIMING: 472600 CPU: 1882.92, 0.00397334/step Wall: 1882.92, 0.00397334/step, 0.0302415 hours remaining, 109.652344 MB of memory in use. ENERGY: 472600 650.3521 1858.8819 2010.6672 112.4363 -13.3348 -1007.6521 158.1030 0.0000 2750.0844 6519.5379 303.7545 3769.4535 6553.0548 302.2008 PRESSURE: 472700 0 0 0 0 0 0 0 0 0 GPRESSURE: 472700 0 0 0 0 0 0 0 0 0 PRESSAVG: 472700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472700 0 0 0 0 0 0 0 0 0 TIMING: 472700 CPU: 1883.32, 0.00397505/step Wall: 1883.32, 0.00397505/step, 0.0301441 hours remaining, 109.652344 MB of memory in use. ENERGY: 472700 663.1240 1846.6307 2016.2793 111.0376 -14.7379 -1048.9314 152.9214 0.0000 2741.8735 6468.1973 302.8476 3726.3237 6500.6336 299.8828 PRESSURE: 472800 0 0 0 0 0 0 0 0 0 GPRESSURE: 472800 0 0 0 0 0 0 0 0 0 PRESSAVG: 472800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472800 0 0 0 0 0 0 0 0 0 TIMING: 472800 CPU: 1883.71, 0.00397269/step Wall: 1883.71, 0.00397269/step, 0.0300159 hours remaining, 109.652344 MB of memory in use. ENERGY: 472800 643.0358 1897.3748 2010.8995 110.1150 -13.0535 -1042.3145 164.1655 0.0000 2708.7243 6478.9468 299.1861 3770.2225 6513.3837 300.3851 PRESSURE: 472900 0 0 0 0 0 0 0 0 0 GPRESSURE: 472900 0 0 0 0 0 0 0 0 0 PRESSAVG: 472900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 472900 0 0 0 0 0 0 0 0 0 TIMING: 472900 CPU: 1884.11, 0.00397322/step Wall: 1884.11, 0.00397322/step, 0.0299095 hours remaining, 109.652344 MB of memory in use. ENERGY: 472900 685.8559 1912.4782 2012.2539 111.9262 -15.2541 -1061.6637 153.9507 0.0000 2711.4126 6510.9596 299.4831 3799.5471 6544.3299 300.8622 PRESSURE: 473000 0 0 0 0 0 0 0 0 0 GPRESSURE: 473000 0 0 0 0 0 0 0 0 0 PRESSAVG: 473000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473000 0 0 0 0 0 0 0 0 0 TIMING: 473000 CPU: 1884.51, 0.00397126/step Wall: 1884.51, 0.00397126/step, 0.0297844 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 473000 656.4816 1873.7264 2041.3639 93.0481 -15.8404 -1044.8209 163.1450 0.0000 2722.7300 6489.8335 300.7331 3767.1035 6523.4780 300.1383 PRESSURE: 473100 0 0 0 0 0 0 0 0 0 GPRESSURE: 473100 0 0 0 0 0 0 0 0 0 PRESSAVG: 473100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473100 0 0 0 0 0 0 0 0 0 TIMING: 473100 CPU: 1884.91, 0.00397299/step Wall: 1884.91, 0.00397299/step, 0.0296871 hours remaining, 109.652344 MB of memory in use. ENERGY: 473100 668.0896 1914.0199 2001.6803 103.6162 -14.5686 -1038.0203 165.1908 0.0000 2675.6590 6475.6669 295.5340 3800.0078 6505.2781 299.6650 PRESSURE: 473200 0 0 0 0 0 0 0 0 0 GPRESSURE: 473200 0 0 0 0 0 0 0 0 0 PRESSAVG: 473200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473200 0 0 0 0 0 0 0 0 0 TIMING: 473200 CPU: 1885.3, 0.00397378/step Wall: 1885.3, 0.00397378/step, 0.0295826 hours remaining, 109.652344 MB of memory in use. ENERGY: 473200 670.5104 1883.7952 1993.1823 95.4714 -15.8732 -1050.7346 158.9660 0.0000 2701.2926 6436.6102 298.3653 3735.3176 6468.0250 297.7871 PRESSURE: 473300 0 0 0 0 0 0 0 0 0 GPRESSURE: 473300 0 0 0 0 0 0 0 0 0 PRESSAVG: 473300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473300 0 0 0 0 0 0 0 0 0 TIMING: 473300 CPU: 1885.7, 0.0039714/step Wall: 1885.7, 0.0039714/step, 0.0294546 hours remaining, 109.652344 MB of memory in use. ENERGY: 473300 633.6417 1924.2050 1987.9241 100.6059 -14.6848 -1038.8989 158.9044 0.0000 2698.7595 6450.4568 298.0855 3751.6973 6484.0757 297.7664 PRESSURE: 473400 0 0 0 0 0 0 0 0 0 GPRESSURE: 473400 0 0 0 0 0 0 0 0 0 PRESSAVG: 473400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473400 0 0 0 0 0 0 0 0 0 TIMING: 473400 CPU: 1886.1, 0.00397103/step Wall: 1886.1, 0.00397103/step, 0.0293415 hours remaining, 109.652344 MB of memory in use. ENERGY: 473400 643.2975 1892.4163 2016.2585 108.6020 -13.6300 -1060.1735 164.4332 0.0000 2704.0789 6455.2828 298.6730 3751.2039 6488.2513 298.1377 PRESSURE: 473500 0 0 0 0 0 0 0 0 0 GPRESSURE: 473500 0 0 0 0 0 0 0 0 0 PRESSAVG: 473500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473500 0 0 0 0 0 0 0 0 0 TIMING: 473500 CPU: 1886.49, 0.00396954/step Wall: 1886.49, 0.00396954/step, 0.0292202 hours remaining, 109.652344 MB of memory in use. ENERGY: 473500 650.6025 1838.0861 2016.5847 98.7935 -14.2465 -1034.1477 168.9525 0.0000 2695.6165 6420.2415 297.7384 3724.6250 6454.6252 297.2320 PRESSURE: 473600 0 0 0 0 0 0 0 0 0 GPRESSURE: 473600 0 0 0 0 0 0 0 0 0 PRESSAVG: 473600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473600 0 0 0 0 0 0 0 0 0 TIMING: 473600 CPU: 1886.89, 0.0039748/step Wall: 1886.89, 0.0039748/step, 0.0291485 hours remaining, 109.652344 MB of memory in use. ENERGY: 473600 631.3227 1879.3320 2008.6857 114.3614 -15.0858 -1060.8696 161.7990 0.0000 2685.1204 6404.6659 296.5790 3719.5455 6436.4331 295.8256 PRESSURE: 473700 0 0 0 0 0 0 0 0 0 GPRESSURE: 473700 0 0 0 0 0 0 0 0 0 PRESSAVG: 473700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473700 0 0 0 0 0 0 0 0 0 TIMING: 473700 CPU: 1887.29, 0.00396988/step Wall: 1887.29, 0.00396988/step, 0.0290022 hours remaining, 109.652344 MB of memory in use. ENERGY: 473700 638.6579 1883.1143 2005.9439 108.4736 -14.5925 -1064.9490 158.8639 0.0000 2682.0348 6397.5468 296.2382 3715.5121 6434.0998 295.7235 PRESSURE: 473800 0 0 0 0 0 0 0 0 0 GPRESSURE: 473800 0 0 0 0 0 0 0 0 0 PRESSAVG: 473800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473800 0 0 0 0 0 0 0 0 0 TIMING: 473800 CPU: 1887.69, 0.00397279/step Wall: 1887.69, 0.00397279/step, 0.0289131 hours remaining, 109.652344 MB of memory in use. ENERGY: 473800 646.5425 1869.9197 2004.6891 105.7716 -14.9671 -1023.2433 172.7373 0.0000 2631.8721 6393.3219 290.6976 3761.4498 6424.2010 294.9140 PRESSURE: 473900 0 0 0 0 0 0 0 0 0 GPRESSURE: 473900 0 0 0 0 0 0 0 0 0 PRESSAVG: 473900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 473900 0 0 0 0 0 0 0 0 0 TIMING: 473900 CPU: 1888.08, 0.00397062/step Wall: 1888.08, 0.00397062/step, 0.028787 hours remaining, 109.652344 MB of memory in use. ENERGY: 473900 665.2080 1824.3089 1988.4929 99.3264 -15.7435 -1024.0155 140.5355 0.0000 2720.4691 6398.5819 300.4834 3678.1128 6430.4514 295.5178 PRESSURE: 474000 0 0 0 0 0 0 0 0 0 GPRESSURE: 474000 0 0 0 0 0 0 0 0 0 PRESSAVG: 474000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474000 0 0 0 0 0 0 0 0 0 TIMING: 474000 CPU: 1888.48, 0.00397142/step Wall: 1888.48, 0.00397142/step, 0.0286825 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 474000 638.8762 1886.7303 1994.3084 112.5541 -15.1571 -1024.7308 173.7294 0.0000 2671.9908 6438.3011 295.1288 3766.3103 6471.0460 295.6436 PRESSURE: 474100 0 0 0 0 0 0 0 0 0 GPRESSURE: 474100 0 0 0 0 0 0 0 0 0 PRESSAVG: 474100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474100 0 0 0 0 0 0 0 0 0 TIMING: 474100 CPU: 1888.88, 0.00397439/step Wall: 1888.88, 0.00397439/step, 0.0285935 hours remaining, 109.652344 MB of memory in use. ENERGY: 474100 658.4649 1880.6889 2011.3180 102.3358 -15.2543 -1026.4829 161.6453 0.0000 2694.9266 6467.6422 297.6621 3772.7157 6498.7139 298.6321 PRESSURE: 474200 0 0 0 0 0 0 0 0 0 GPRESSURE: 474200 0 0 0 0 0 0 0 0 0 PRESSAVG: 474200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474200 0 0 0 0 0 0 0 0 0 TIMING: 474200 CPU: 1889.28, 0.00397241/step Wall: 1889.28, 0.00397241/step, 0.0284689 hours remaining, 109.652344 MB of memory in use. ENERGY: 474200 632.1537 1898.9752 1987.4123 108.3330 -14.6492 -1032.4342 157.5195 0.0000 2717.7903 6455.1005 300.1875 3737.3102 6488.5830 299.3291 PRESSURE: 474300 0 0 0 0 0 0 0 0 0 GPRESSURE: 474300 0 0 0 0 0 0 0 0 0 PRESSAVG: 474300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474300 0 0 0 0 0 0 0 0 0 TIMING: 474300 CPU: 1889.67, 0.00397214/step Wall: 1889.67, 0.00397214/step, 0.0283567 hours remaining, 109.652344 MB of memory in use. ENERGY: 474300 659.2094 1891.4970 2023.0923 96.3724 -14.0117 -1028.3936 159.3531 0.0000 2648.9429 6436.0618 292.5831 3787.1189 6468.6474 296.2204 PRESSURE: 474400 0 0 0 0 0 0 0 0 0 GPRESSURE: 474400 0 0 0 0 0 0 0 0 0 PRESSAVG: 474400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474400 0 0 0 0 0 0 0 0 0 TIMING: 474400 CPU: 1890.07, 0.00397392/step Wall: 1890.07, 0.00397392/step, 0.028259 hours remaining, 109.652344 MB of memory in use. ENERGY: 474400 630.1496 1888.1026 1979.9361 100.9259 -14.7393 -1032.3749 150.3404 0.0000 2748.4233 6450.7637 303.5710 3702.3404 6485.1415 298.2049 PRESSURE: 474500 0 0 0 0 0 0 0 0 0 GPRESSURE: 474500 0 0 0 0 0 0 0 0 0 PRESSAVG: 474500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474500 0 0 0 0 0 0 0 0 0 TIMING: 474500 CPU: 1890.47, 0.00397367/step Wall: 1890.47, 0.00397367/step, 0.0281468 hours remaining, 109.652344 MB of memory in use. ENERGY: 474500 643.4691 1888.7325 2019.3378 106.8079 -15.7038 -1020.4778 171.6744 0.0000 2710.0724 6503.9124 299.3350 3793.8400 6539.9144 299.7592 PRESSURE: 474600 0 0 0 0 0 0 0 0 0 GPRESSURE: 474600 0 0 0 0 0 0 0 0 0 PRESSAVG: 474600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474600 0 0 0 0 0 0 0 0 0 TIMING: 474600 CPU: 1890.86, 0.00397404/step Wall: 1890.86, 0.00397404/step, 0.0280391 hours remaining, 109.652344 MB of memory in use. ENERGY: 474600 653.9368 1870.7726 2026.5992 101.4209 -14.9332 -1058.6169 170.8041 0.0000 2793.4490 6543.4327 308.5442 3749.9836 6578.5538 302.9535 PRESSURE: 474700 0 0 0 0 0 0 0 0 0 GPRESSURE: 474700 0 0 0 0 0 0 0 0 0 PRESSAVG: 474700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474700 0 0 0 0 0 0 0 0 0 TIMING: 474700 CPU: 1891.26, 0.00397092/step Wall: 1891.26, 0.00397092/step, 0.0279068 hours remaining, 109.652344 MB of memory in use. ENERGY: 474700 631.8162 1922.4665 2005.3376 99.2279 -15.7953 -1035.3184 151.5548 0.0000 2754.4358 6513.7251 304.2351 3759.2893 6549.9558 302.0892 PRESSURE: 474800 0 0 0 0 0 0 0 0 0 GPRESSURE: 474800 0 0 0 0 0 0 0 0 0 PRESSAVG: 474800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474800 0 0 0 0 0 0 0 0 0 TIMING: 474800 CPU: 1891.66, 0.00397511/step Wall: 1891.66, 0.00397511/step, 0.0278258 hours remaining, 109.652344 MB of memory in use. ENERGY: 474800 650.4435 1862.8573 2028.0010 109.9800 -14.7301 -1028.3168 181.1592 0.0000 2729.3904 6518.7845 301.4688 3789.3941 6550.4254 303.1733 PRESSURE: 474900 0 0 0 0 0 0 0 0 0 GPRESSURE: 474900 0 0 0 0 0 0 0 0 0 PRESSAVG: 474900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 474900 0 0 0 0 0 0 0 0 0 TIMING: 474900 CPU: 1892.06, 0.00397001/step Wall: 1892.06, 0.00397001/step, 0.0276798 hours remaining, 109.652344 MB of memory in use. ENERGY: 474900 657.7359 1915.8462 2022.9211 96.9170 -15.3516 -1043.7678 162.8435 0.0000 2721.9284 6519.0727 300.6446 3797.1443 6554.0892 301.8485 PRESSURE: 475000 0 0 0 0 0 0 0 0 0 GPRESSURE: 475000 0 0 0 0 0 0 0 0 0 PRESSAVG: 475000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475000 0 0 0 0 0 0 0 0 0 TIMING: 475000 CPU: 1892.45, 0.00397582/step Wall: 1892.45, 0.00397582/step, 0.0276099 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 475000 668.6153 1850.4499 2032.5708 112.4186 -14.7457 -1035.0493 162.9067 0.0000 2753.5330 6530.6993 304.1354 3777.1663 6566.4279 303.3066 PRESSURE: 475100 0 0 0 0 0 0 0 0 0 GPRESSURE: 475100 0 0 0 0 0 0 0 0 0 PRESSAVG: 475100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475100 0 0 0 0 0 0 0 0 0 TIMING: 475100 CPU: 1892.85, 0.00397479/step Wall: 1892.85, 0.00397479/step, 0.0274923 hours remaining, 109.652344 MB of memory in use. ENERGY: 475100 605.8284 1922.6929 2006.3326 87.0575 -13.8748 -1017.7944 179.3795 0.0000 2702.8623 6472.4839 298.5387 3769.6217 6506.2154 299.5134 PRESSURE: 475200 0 0 0 0 0 0 0 0 0 GPRESSURE: 475200 0 0 0 0 0 0 0 0 0 PRESSAVG: 475200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475200 0 0 0 0 0 0 0 0 0 TIMING: 475200 CPU: 1893.25, 0.00397231/step Wall: 1893.25, 0.00397231/step, 0.0273648 hours remaining, 109.652344 MB of memory in use. ENERGY: 475200 630.3482 1889.2386 2019.0528 107.8309 -14.5725 -1037.4439 179.2149 0.0000 2711.7408 6485.4098 299.5193 3773.6690 6516.4320 299.4208 PRESSURE: 475300 0 0 0 0 0 0 0 0 0 GPRESSURE: 475300 0 0 0 0 0 0 0 0 0 PRESSAVG: 475300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475300 0 0 0 0 0 0 0 0 0 TIMING: 475300 CPU: 1893.65, 0.00397269/step Wall: 1893.65, 0.00397269/step, 0.0272571 hours remaining, 109.652344 MB of memory in use. ENERGY: 475300 670.0412 1922.1145 2002.0083 107.4348 -14.9398 -1000.6982 160.5130 0.0000 2672.7527 6519.2265 295.2130 3846.4737 6549.8862 300.7851 PRESSURE: 475400 0 0 0 0 0 0 0 0 0 GPRESSURE: 475400 0 0 0 0 0 0 0 0 0 PRESSAVG: 475400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475400 0 0 0 0 0 0 0 0 0 TIMING: 475400 CPU: 1894.04, 0.00397274/step Wall: 1894.04, 0.00397273/step, 0.027147 hours remaining, 109.652344 MB of memory in use. ENERGY: 475400 656.9668 1851.5266 2025.6861 113.9612 -14.7176 -1013.4643 161.1105 0.0000 2716.5888 6497.6580 300.0548 3781.0692 6534.4603 300.5557 PRESSURE: 475500 0 0 0 0 0 0 0 0 0 GPRESSURE: 475500 0 0 0 0 0 0 0 0 0 PRESSAVG: 475500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475500 0 0 0 0 0 0 0 0 0 TIMING: 475500 CPU: 1894.44, 0.00397213/step Wall: 1894.44, 0.00397214/step, 0.0270326 hours remaining, 109.652344 MB of memory in use. ENERGY: 475500 669.1629 1887.3576 1969.0452 96.0764 -14.3135 -1038.9662 183.4697 0.0000 2741.8506 6493.6827 302.8450 3751.8321 6528.4486 300.3417 PRESSURE: 475600 0 0 0 0 0 0 0 0 0 GPRESSURE: 475600 0 0 0 0 0 0 0 0 0 PRESSAVG: 475600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475600 0 0 0 0 0 0 0 0 0 TIMING: 475600 CPU: 1894.84, 0.00397368/step Wall: 1894.84, 0.00397368/step, 0.0269327 hours remaining, 109.652344 MB of memory in use. ENERGY: 475600 660.8632 1925.8436 2005.5061 111.6419 -14.2682 -1008.7316 155.7772 0.0000 2680.2857 6516.9179 296.0450 3836.6322 6545.8605 298.7562 PRESSURE: 475700 0 0 0 0 0 0 0 0 0 GPRESSURE: 475700 0 0 0 0 0 0 0 0 0 PRESSAVG: 475700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475700 0 0 0 0 0 0 0 0 0 TIMING: 475700 CPU: 1895.23, 0.00397176/step Wall: 1895.23, 0.00397176/step, 0.0268094 hours remaining, 109.652344 MB of memory in use. ENERGY: 475700 638.9525 1900.9167 1992.3357 111.2151 -15.9003 -1037.7615 178.3945 0.0000 2787.0221 6555.1746 307.8344 3768.1526 6588.9248 304.8951 PRESSURE: 475800 0 0 0 0 0 0 0 0 0 GPRESSURE: 475800 0 0 0 0 0 0 0 0 0 PRESSAVG: 475800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475800 0 0 0 0 0 0 0 0 0 TIMING: 475800 CPU: 1895.63, 0.00397463/step Wall: 1895.63, 0.00397463/step, 0.0267183 hours remaining, 109.652344 MB of memory in use. ENERGY: 475800 626.8918 1894.1108 2012.1461 104.7600 -13.4288 -1039.4769 164.9450 0.0000 2778.8614 6528.8093 306.9330 3749.9479 6564.8243 304.9363 PRESSURE: 475900 0 0 0 0 0 0 0 0 0 GPRESSURE: 475900 0 0 0 0 0 0 0 0 0 PRESSAVG: 475900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 475900 0 0 0 0 0 0 0 0 0 TIMING: 475900 CPU: 1896.03, 0.00397158/step Wall: 1896.03, 0.00397158/step, 0.0265875 hours remaining, 109.652344 MB of memory in use. ENERGY: 475900 659.1567 1941.0930 2001.1182 100.8923 -15.1598 -996.6383 166.1776 0.0000 2741.1832 6597.8230 302.7713 3856.6398 6627.7582 304.8674 PRESSURE: 476000 0 0 0 0 0 0 0 0 0 GPRESSURE: 476000 0 0 0 0 0 0 0 0 0 PRESSAVG: 476000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476000 0 0 0 0 0 0 0 0 0 TIMING: 476000 CPU: 1896.43, 0.00397047/step Wall: 1896.43, 0.00397047/step, 0.0264698 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 476000 646.4626 1874.6712 2042.8675 114.2295 -15.8559 -998.8548 157.7209 0.0000 2761.4730 6582.7139 305.0124 3821.2409 6615.5493 306.3888 PRESSURE: 476100 0 0 0 0 0 0 0 0 0 GPRESSURE: 476100 0 0 0 0 0 0 0 0 0 PRESSAVG: 476100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476100 0 0 0 0 0 0 0 0 0 TIMING: 476100 CPU: 1896.82, 0.00397304/step Wall: 1896.82, 0.00397304/step, 0.0263766 hours remaining, 109.652344 MB of memory in use. ENERGY: 476100 679.6004 1934.3137 2002.6505 103.1815 -14.6592 -1040.1597 160.4429 0.0000 2737.0896 6562.4597 302.3192 3825.3702 6591.1330 304.2060 PRESSURE: 476200 0 0 0 0 0 0 0 0 0 GPRESSURE: 476200 0 0 0 0 0 0 0 0 0 PRESSAVG: 476200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476200 0 0 0 0 0 0 0 0 0 TIMING: 476200 CPU: 1897.22, 0.00396776/step Wall: 1897.22, 0.00396776/step, 0.0262313 hours remaining, 109.652344 MB of memory in use. ENERGY: 476200 662.9080 1907.2545 2000.2996 103.7876 -13.6664 -1044.7817 174.3018 0.0000 2736.2924 6526.3959 302.2311 3790.1035 6560.3107 304.0812 LDB: ============= START OF LOAD BALANCING ============== 1900 LDB: ============== END OF LOAD BALANCING =============== 1900 LDB: =============== DONE WITH MIGRATION ================ 1900 PRESSURE: 476300 0 0 0 0 0 0 0 0 0 GPRESSURE: 476300 0 0 0 0 0 0 0 0 0 PRESSAVG: 476300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476300 0 0 0 0 0 0 0 0 0 TIMING: 476300 CPU: 1897.62, 0.00397571/step Wall: 1897.62, 0.00397571/step, 0.0261734 hours remaining, 109.652344 MB of memory in use. ENERGY: 476300 651.1065 1891.5839 2025.8765 98.8994 -13.8531 -1005.1248 162.1985 0.0000 2727.1725 6537.8595 301.2238 3810.6870 6572.3371 303.4510 LDB: ============= START OF LOAD BALANCING ============== 1900.39 LDB: ============== END OF LOAD BALANCING =============== 1900.39 LDB: =============== DONE WITH MIGRATION ================ 1900.39 PRESSURE: 476400 0 0 0 0 0 0 0 0 0 GPRESSURE: 476400 0 0 0 0 0 0 0 0 0 PRESSAVG: 476400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476400 0 0 0 0 0 0 0 0 0 TIMING: 476400 CPU: 1898.02, 0.00397888/step Wall: 1898.02, 0.00397888/step, 0.0260838 hours remaining, 109.652344 MB of memory in use. ENERGY: 476400 636.7393 1900.3526 2023.7459 120.6182 -14.0885 -999.7132 166.5907 0.0000 2718.9086 6553.1536 300.3110 3834.2450 6584.6639 302.6271 PRESSURE: 476500 0 0 0 0 0 0 0 0 0 GPRESSURE: 476500 0 0 0 0 0 0 0 0 0 PRESSAVG: 476500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476500 0 0 0 0 0 0 0 0 0 TIMING: 476500 CPU: 1898.41, 0.00397053/step Wall: 1898.41, 0.00397053/step, 0.0259187 hours remaining, 109.652344 MB of memory in use. ENERGY: 476500 637.6925 1892.8770 2026.8989 104.6670 -13.8380 -1043.4894 164.4192 0.0000 2789.7570 6558.9841 308.1364 3769.2271 6593.6455 303.3635 PRESSURE: 476600 0 0 0 0 0 0 0 0 0 GPRESSURE: 476600 0 0 0 0 0 0 0 0 0 PRESSAVG: 476600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476600 0 0 0 0 0 0 0 0 0 TIMING: 476600 CPU: 1898.81, 0.00397353/step Wall: 1898.81, 0.00397353/step, 0.025828 hours remaining, 109.652344 MB of memory in use. ENERGY: 476600 647.5292 1918.1314 2019.9296 114.0833 -15.1099 -1038.2424 164.3123 0.0000 2773.9380 6584.5714 306.3892 3810.6335 6619.7835 305.2419 PRESSURE: 476700 0 0 0 0 0 0 0 0 0 GPRESSURE: 476700 0 0 0 0 0 0 0 0 0 PRESSAVG: 476700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476700 0 0 0 0 0 0 0 0 0 TIMING: 476700 CPU: 1899.21, 0.00396859/step Wall: 1899.21, 0.00396859/step, 0.0256856 hours remaining, 109.652344 MB of memory in use. ENERGY: 476700 641.1333 1900.2430 2018.0146 96.1913 -16.0631 -1005.5909 157.3303 0.0000 2801.7780 6593.0365 309.4642 3791.2586 6628.4762 307.3040 PRESSURE: 476800 0 0 0 0 0 0 0 0 0 GPRESSURE: 476800 0 0 0 0 0 0 0 0 0 PRESSAVG: 476800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476800 0 0 0 0 0 0 0 0 0 TIMING: 476800 CPU: 1899.6, 0.00397359/step Wall: 1899.6, 0.00397359/step, 0.0256076 hours remaining, 109.652344 MB of memory in use. ENERGY: 476800 636.5150 1981.8008 2034.6656 110.8327 -15.8017 -1016.9046 165.0313 0.0000 2707.8303 6603.9694 299.0874 3896.1391 6635.7653 307.3304 PRESSURE: 476900 0 0 0 0 0 0 0 0 0 GPRESSURE: 476900 0 0 0 0 0 0 0 0 0 PRESSAVG: 476900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 476900 0 0 0 0 0 0 0 0 0 TIMING: 476900 CPU: 1900, 0.00397016/step Wall: 1900, 0.00397015/step, 0.0254751 hours remaining, 109.652344 MB of memory in use. ENERGY: 476900 657.3735 1941.4398 2006.5601 112.2982 -16.0075 -1033.4625 164.0198 0.0000 2738.0356 6570.2569 302.4237 3832.2214 6600.6836 305.1123 PRESSURE: 477000 0 0 0 0 0 0 0 0 0 GPRESSURE: 477000 0 0 0 0 0 0 0 0 0 PRESSAVG: 477000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477000 0 0 0 0 0 0 0 0 0 TIMING: 477000 CPU: 1900.4, 0.00397275/step Wall: 1900.4, 0.00397276/step, 0.0253815 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 477000 677.7111 1886.2694 1999.1408 103.9792 -15.9941 -1020.3183 161.1056 0.0000 2764.2561 6556.1497 305.3198 3791.8936 6587.6923 305.3552 PRESSURE: 477100 0 0 0 0 0 0 0 0 0 GPRESSURE: 477100 0 0 0 0 0 0 0 0 0 PRESSAVG: 477100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477100 0 0 0 0 0 0 0 0 0 TIMING: 477100 CPU: 1900.8, 0.00397379/step Wall: 1900.8, 0.00397379/step, 0.0252777 hours remaining, 109.652344 MB of memory in use. ENERGY: 477100 652.9069 1863.2512 2017.3464 101.5000 -15.6520 -1007.9330 159.8259 0.0000 2784.1761 6555.4215 307.5200 3771.2454 6589.0994 303.8304 PRESSURE: 477200 0 0 0 0 0 0 0 0 0 GPRESSURE: 477200 0 0 0 0 0 0 0 0 0 PRESSAVG: 477200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477200 0 0 0 0 0 0 0 0 0 TIMING: 477200 CPU: 1901.19, 0.0039718/step Wall: 1901.19, 0.0039718/step, 0.0251547 hours remaining, 109.652344 MB of memory in use. ENERGY: 477200 685.5218 1910.4255 2016.1819 121.1994 -14.9573 -1030.2658 163.6530 0.0000 2734.5097 6586.2684 302.0342 3851.7586 6620.4773 305.0872 PRESSURE: 477300 0 0 0 0 0 0 0 0 0 GPRESSURE: 477300 0 0 0 0 0 0 0 0 0 PRESSAVG: 477300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477300 0 0 0 0 0 0 0 0 0 TIMING: 477300 CPU: 1901.59, 0.0039726/step Wall: 1901.59, 0.0039726/step, 0.0250494 hours remaining, 109.652344 MB of memory in use. ENERGY: 477300 672.6741 1934.7173 2018.4591 107.4937 -15.7435 -1045.1177 157.9802 0.0000 2712.0383 6542.5015 299.5522 3830.4632 6576.1218 304.4441 PRESSURE: 477400 0 0 0 0 0 0 0 0 0 GPRESSURE: 477400 0 0 0 0 0 0 0 0 0 PRESSAVG: 477400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477400 0 0 0 0 0 0 0 0 0 TIMING: 477400 CPU: 1901.99, 0.00397106/step Wall: 1901.99, 0.00397106/step, 0.0249294 hours remaining, 109.652344 MB of memory in use. ENERGY: 477400 662.6097 1894.4373 1991.9856 113.4795 -14.8128 -1021.5550 155.7574 0.0000 2714.6870 6496.5889 299.8447 3781.9018 6531.3861 301.4261 PRESSURE: 477500 0 0 0 0 0 0 0 0 0 GPRESSURE: 477500 0 0 0 0 0 0 0 0 0 PRESSAVG: 477500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477500 0 0 0 0 0 0 0 0 0 TIMING: 477500 CPU: 1902.39, 0.00397405/step Wall: 1902.39, 0.00397405/step, 0.0248378 hours remaining, 109.652344 MB of memory in use. ENERGY: 477500 668.2222 1935.6539 2000.0124 108.7982 -15.3538 -1055.9468 158.7851 0.0000 2684.1691 6484.3402 296.4740 3800.1711 6515.8354 300.9856 PRESSURE: 477600 0 0 0 0 0 0 0 0 0 GPRESSURE: 477600 0 0 0 0 0 0 0 0 0 PRESSAVG: 477600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477600 0 0 0 0 0 0 0 0 0 TIMING: 477600 CPU: 1902.78, 0.00397434/step Wall: 1902.78, 0.00397434/step, 0.0247292 hours remaining, 109.652344 MB of memory in use. ENERGY: 477600 669.2867 1854.3520 2017.2359 103.0959 -14.6487 -1052.6836 165.8587 0.0000 2710.5982 6453.0953 299.3931 3742.4971 6484.0678 299.6257 PRESSURE: 477700 0 0 0 0 0 0 0 0 0 GPRESSURE: 477700 0 0 0 0 0 0 0 0 0 PRESSAVG: 477700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477700 0 0 0 0 0 0 0 0 0 TIMING: 477700 CPU: 1903.18, 0.00397149/step Wall: 1903.18, 0.00397148/step, 0.0246011 hours remaining, 109.652344 MB of memory in use. ENERGY: 477700 622.1522 1868.9020 1998.8332 108.1032 -15.6327 -1040.6477 159.1659 0.0000 2743.8700 6444.7460 303.0681 3700.8761 6477.1802 300.1257 PRESSURE: 477800 0 0 0 0 0 0 0 0 0 GPRESSURE: 477800 0 0 0 0 0 0 0 0 0 PRESSAVG: 477800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477800 0 0 0 0 0 0 0 0 0 TIMING: 477800 CPU: 1903.58, 0.00397253/step Wall: 1903.58, 0.00397254/step, 0.0244973 hours remaining, 109.652344 MB of memory in use. ENERGY: 477800 639.3856 1851.4236 2018.2238 102.6159 -15.6859 -1007.7293 160.1838 0.0000 2738.1211 6486.5386 302.4331 3748.4174 6519.9752 298.9147 PRESSURE: 477900 0 0 0 0 0 0 0 0 0 GPRESSURE: 477900 0 0 0 0 0 0 0 0 0 PRESSAVG: 477900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 477900 0 0 0 0 0 0 0 0 0 TIMING: 477900 CPU: 1903.97, 0.00397526/step Wall: 1903.97, 0.00397526/step, 0.0244037 hours remaining, 109.652344 MB of memory in use. ENERGY: 477900 647.5473 1891.7276 2029.1621 111.0877 -16.0140 -1020.4762 152.1722 0.0000 2684.7805 6479.9872 296.5415 3795.2067 6511.3568 300.6962 PRESSURE: 478000 0 0 0 0 0 0 0 0 0 GPRESSURE: 478000 0 0 0 0 0 0 0 0 0 PRESSAVG: 478000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478000 0 0 0 0 0 0 0 0 0 TIMING: 478000 CPU: 1904.37, 0.00397219/step Wall: 1904.37, 0.00397219/step, 0.0242745 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 478000 649.9978 1835.7055 2028.9690 105.8254 -14.4665 -1010.1676 164.6380 0.0000 2711.6516 6472.1531 299.5095 3760.5015 6504.2057 298.8310 PRESSURE: 478100 0 0 0 0 0 0 0 0 0 GPRESSURE: 478100 0 0 0 0 0 0 0 0 0 PRESSAVG: 478100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478100 0 0 0 0 0 0 0 0 0 TIMING: 478100 CPU: 1904.77, 0.00397326/step Wall: 1904.77, 0.00397326/step, 0.0241707 hours remaining, 109.652344 MB of memory in use. ENERGY: 478100 673.6707 1894.7781 2013.8355 104.5285 -15.7230 -1037.5689 146.5144 0.0000 2686.3867 6466.4221 296.7189 3780.0354 6497.1897 299.1474 PRESSURE: 478200 0 0 0 0 0 0 0 0 0 GPRESSURE: 478200 0 0 0 0 0 0 0 0 0 PRESSAVG: 478200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478200 0 0 0 0 0 0 0 0 0 TIMING: 478200 CPU: 1905.17, 0.00397074/step Wall: 1905.17, 0.00397074/step, 0.024045 hours remaining, 109.652344 MB of memory in use. ENERGY: 478200 652.4542 1884.0241 2014.8571 103.8502 -14.9761 -1053.8325 165.7524 0.0000 2682.8770 6435.0065 296.3312 3752.1295 6468.7228 298.9616 PRESSURE: 478300 0 0 0 0 0 0 0 0 0 GPRESSURE: 478300 0 0 0 0 0 0 0 0 0 PRESSAVG: 478300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478300 0 0 0 0 0 0 0 0 0 TIMING: 478300 CPU: 1905.56, 0.00397185/step Wall: 1905.56, 0.00397185/step, 0.0239414 hours remaining, 109.652344 MB of memory in use. ENERGY: 478300 638.5811 1830.0123 1999.4975 96.9540 -14.7958 -1033.4205 145.9269 0.0000 2786.7194 6449.4750 307.8009 3662.7555 6487.7846 298.7431 PRESSURE: 478400 0 0 0 0 0 0 0 0 0 GPRESSURE: 478400 0 0 0 0 0 0 0 0 0 PRESSAVG: 478400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478400 0 0 0 0 0 0 0 0 0 TIMING: 478400 CPU: 1905.96, 0.00397227/step Wall: 1905.96, 0.00397227/step, 0.0238336 hours remaining, 109.652344 MB of memory in use. ENERGY: 478400 651.0599 1906.1309 2022.4518 104.1831 -14.7226 -1047.9723 166.1427 0.0000 2670.9709 6458.2444 295.0162 3787.2735 6486.9561 300.1241 PRESSURE: 478500 0 0 0 0 0 0 0 0 0 GPRESSURE: 478500 0 0 0 0 0 0 0 0 0 PRESSAVG: 478500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478500 0 0 0 0 0 0 0 0 0 TIMING: 478500 CPU: 1906.36, 0.00397072/step Wall: 1906.36, 0.00397072/step, 0.023714 hours remaining, 109.652344 MB of memory in use. ENERGY: 478500 624.3321 1863.9981 2027.4904 106.4321 -15.3689 -1011.1770 156.2089 0.0000 2738.9329 6490.8487 302.5228 3751.9157 6525.1624 297.8492 PRESSURE: 478600 0 0 0 0 0 0 0 0 0 GPRESSURE: 478600 0 0 0 0 0 0 0 0 0 PRESSAVG: 478600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478600 0 0 0 0 0 0 0 0 0 TIMING: 478600 CPU: 1906.75, 0.00397118/step Wall: 1906.75, 0.00397118/step, 0.0236065 hours remaining, 109.652344 MB of memory in use. ENERGY: 478600 661.2190 1862.2501 2005.2391 107.2579 -15.0607 -1061.5619 151.5908 0.0000 2728.1119 6439.0463 301.3276 3710.9344 6471.3625 301.2595 PRESSURE: 478700 0 0 0 0 0 0 0 0 0 GPRESSURE: 478700 0 0 0 0 0 0 0 0 0 PRESSAVG: 478700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478700 0 0 0 0 0 0 0 0 0 TIMING: 478700 CPU: 1907.15, 0.0039678/step Wall: 1907.15, 0.00396779/step, 0.0234761 hours remaining, 109.652344 MB of memory in use. ENERGY: 478700 665.5715 1859.8023 2014.4199 96.9581 -14.9256 -1033.8895 157.4127 0.0000 2680.7309 6426.0803 296.0942 3745.3494 6458.4571 298.8048 PRESSURE: 478800 0 0 0 0 0 0 0 0 0 GPRESSURE: 478800 0 0 0 0 0 0 0 0 0 PRESSAVG: 478800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478800 0 0 0 0 0 0 0 0 0 TIMING: 478800 CPU: 1907.55, 0.00397521/step Wall: 1907.55, 0.00397522/step, 0.0234096 hours remaining, 109.652344 MB of memory in use. ENERGY: 478800 637.9128 1892.6149 1999.1618 111.9949 -14.8605 -1004.9071 156.5912 0.0000 2688.8751 6467.3831 296.9937 3778.5080 6499.9855 297.9525 PRESSURE: 478900 0 0 0 0 0 0 0 0 0 GPRESSURE: 478900 0 0 0 0 0 0 0 0 0 PRESSAVG: 478900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 478900 0 0 0 0 0 0 0 0 0 TIMING: 478900 CPU: 1907.95, 0.00397048/step Wall: 1907.95, 0.00397048/step, 0.0232714 hours remaining, 109.652344 MB of memory in use. ENERGY: 478900 667.7891 1881.0907 2004.4731 100.5765 -15.8809 -1049.8070 154.7439 0.0000 2739.8380 6482.8235 302.6227 3742.9855 6516.8665 300.1540 PRESSURE: 479000 0 0 0 0 0 0 0 0 0 GPRESSURE: 479000 0 0 0 0 0 0 0 0 0 PRESSAVG: 479000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479000 0 0 0 0 0 0 0 0 0 TIMING: 479000 CPU: 1908.34, 0.00397372/step Wall: 1908.34, 0.00397372/step, 0.02318 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 479000 689.8740 1888.2671 1990.4348 102.9769 -14.0538 -1043.3258 158.7291 0.0000 2707.4450 6480.3473 299.0448 3772.9024 6511.9914 300.7711 PRESSURE: 479100 0 0 0 0 0 0 0 0 0 GPRESSURE: 479100 0 0 0 0 0 0 0 0 0 PRESSAVG: 479100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479100 0 0 0 0 0 0 0 0 0 TIMING: 479100 CPU: 1908.74, 0.00397283/step Wall: 1908.74, 0.00397283/step, 0.0230645 hours remaining, 109.652344 MB of memory in use. ENERGY: 479100 653.9502 1882.4236 2019.4990 104.3177 -14.6134 -1034.7355 151.9102 0.0000 2704.1927 6466.9446 298.6856 3762.7518 6502.6488 300.9136 PRESSURE: 479200 0 0 0 0 0 0 0 0 0 GPRESSURE: 479200 0 0 0 0 0 0 0 0 0 PRESSAVG: 479200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479200 0 0 0 0 0 0 0 0 0 TIMING: 479200 CPU: 1909.14, 0.0039695/step Wall: 1909.14, 0.0039695/step, 0.0229349 hours remaining, 109.652344 MB of memory in use. ENERGY: 479200 675.6882 1870.4549 2012.6308 106.9232 -14.7608 -1073.7619 157.4514 0.0000 2711.7978 6446.4236 299.5256 3734.6259 6479.3695 298.6934 PRESSURE: 479300 0 0 0 0 0 0 0 0 0 GPRESSURE: 479300 0 0 0 0 0 0 0 0 0 PRESSAVG: 479300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479300 0 0 0 0 0 0 0 0 0 TIMING: 479300 CPU: 1909.54, 0.00397421/step Wall: 1909.54, 0.00397421/step, 0.0228517 hours remaining, 109.652344 MB of memory in use. ENERGY: 479300 675.1604 1885.4106 2014.9856 106.9042 -15.5234 -1067.6952 150.8711 0.0000 2684.9938 6435.1071 296.5650 3750.1133 6468.2456 298.5728 PRESSURE: 479400 0 0 0 0 0 0 0 0 0 GPRESSURE: 479400 0 0 0 0 0 0 0 0 0 PRESSAVG: 479400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479400 0 0 0 0 0 0 0 0 0 TIMING: 479400 CPU: 1909.93, 0.00397084/step Wall: 1909.93, 0.00397084/step, 0.022722 hours remaining, 109.652344 MB of memory in use. ENERGY: 479400 670.8640 1834.1046 1977.8122 105.3522 -14.5450 -1044.0630 176.3159 0.0000 2782.7556 6488.5964 307.3631 3705.8408 6524.2868 300.8321 PRESSURE: 479500 0 0 0 0 0 0 0 0 0 GPRESSURE: 479500 0 0 0 0 0 0 0 0 0 PRESSAVG: 479500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479500 0 0 0 0 0 0 0 0 0 TIMING: 479500 CPU: 1910.33, 0.00397288/step Wall: 1910.33, 0.00397288/step, 0.0226233 hours remaining, 109.652344 MB of memory in use. ENERGY: 479500 677.6276 1889.1470 1980.9608 105.9916 -14.5144 -1011.2086 174.0076 0.0000 2719.9489 6521.9605 300.4259 3802.0116 6555.1657 301.3265 PRESSURE: 479600 0 0 0 0 0 0 0 0 0 GPRESSURE: 479600 0 0 0 0 0 0 0 0 0 PRESSAVG: 479600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479600 0 0 0 0 0 0 0 0 0 TIMING: 479600 CPU: 1910.73, 0.00397591/step Wall: 1910.73, 0.0039759/step, 0.0225301 hours remaining, 109.652344 MB of memory in use. ENERGY: 479600 678.6796 1851.4307 2012.9694 108.6720 -16.2105 -1009.5887 146.1166 0.0000 2743.7645 6515.8335 303.0564 3772.0690 6549.7651 302.4829 PRESSURE: 479700 0 0 0 0 0 0 0 0 0 GPRESSURE: 479700 0 0 0 0 0 0 0 0 0 PRESSAVG: 479700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479700 0 0 0 0 0 0 0 0 0 TIMING: 479700 CPU: 1911.13, 0.00399582/step Wall: 1911.13, 0.00399582/step, 0.022532 hours remaining, 109.652344 MB of memory in use. ENERGY: 479700 685.9083 1891.7336 1998.0177 102.7342 -16.3805 -1027.6926 160.1810 0.0000 2713.9891 6508.4908 299.7677 3794.5017 6541.0435 302.8133 PRESSURE: 479800 0 0 0 0 0 0 0 0 0 GPRESSURE: 479800 0 0 0 0 0 0 0 0 0 PRESSAVG: 479800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479800 0 0 0 0 0 0 0 0 0 TIMING: 479800 CPU: 1911.52, 0.00397107/step Wall: 1911.52, 0.00397108/step, 0.0222822 hours remaining, 109.652344 MB of memory in use. ENERGY: 479800 656.0118 1911.5167 2027.8092 97.4569 -15.2450 -1046.4676 175.0145 0.0000 2764.5667 6570.6633 305.3541 3806.0966 6604.6098 303.8763 PRESSURE: 479900 0 0 0 0 0 0 0 0 0 GPRESSURE: 479900 0 0 0 0 0 0 0 0 0 PRESSAVG: 479900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 479900 0 0 0 0 0 0 0 0 0 TIMING: 479900 CPU: 1911.92, 0.00396953/step Wall: 1911.92, 0.00396953/step, 0.0221632 hours remaining, 109.652344 MB of memory in use. ENERGY: 479900 640.5387 1919.9165 2008.4600 113.0530 -15.2541 -1034.4414 159.7271 0.0000 2779.6332 6571.6331 307.0182 3791.9999 6605.6902 305.8796 PRESSURE: 480000 0 0 0 0 0 0 0 0 0 GPRESSURE: 480000 0 0 0 0 0 0 0 0 0 PRESSAVG: 480000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480000 0 0 0 0 0 0 0 0 0 TIMING: 480000 CPU: 1912.32, 0.00397392/step Wall: 1912.32, 0.00397392/step, 0.0220773 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 480000 653.1528 1936.9175 2027.6043 101.6527 -16.4688 -1041.2332 149.4680 0.0000 2776.5646 6587.6579 306.6793 3811.0933 6623.9420 306.2382 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 480000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 480000 WRITING COORDINATES TO RESTART FILE AT STEP 480000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 480000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 480100 0 0 0 0 0 0 0 0 0 GPRESSURE: 480100 0 0 0 0 0 0 0 0 0 PRESSAVG: 480100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480100 0 0 0 0 0 0 0 0 0 TIMING: 480100 CPU: 1912.78, 0.004646/step Wall: 1912.78, 0.004646/step, 0.0256821 hours remaining, 109.652344 MB of memory in use. ENERGY: 480100 654.2256 1917.9319 1984.6027 99.3877 -15.4739 -997.3189 162.8268 0.0000 2789.2527 6595.4345 308.0807 3806.1818 6631.1356 306.6136 PRESSURE: 480200 0 0 0 0 0 0 0 0 0 GPRESSURE: 480200 0 0 0 0 0 0 0 0 0 PRESSAVG: 480200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480200 0 0 0 0 0 0 0 0 0 TIMING: 480200 CPU: 1913.18, 0.00397934/step Wall: 1913.18, 0.00397934/step, 0.0218864 hours remaining, 109.652344 MB of memory in use. ENERGY: 480200 671.4076 1913.2609 2000.9892 105.3979 -15.4076 -1038.6663 156.0196 0.0000 2815.6946 6608.6960 311.0013 3793.0014 6640.7265 307.5479 LDB: ============= START OF LOAD BALANCING ============== 1915.96 LDB: ============== END OF LOAD BALANCING =============== 1915.96 LDB: =============== DONE WITH MIGRATION ================ 1915.96 PRESSURE: 480300 0 0 0 0 0 0 0 0 0 GPRESSURE: 480300 0 0 0 0 0 0 0 0 0 PRESSAVG: 480300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480300 0 0 0 0 0 0 0 0 0 TIMING: 480300 CPU: 1913.58, 0.00398135/step Wall: 1913.58, 0.00398135/step, 0.0217868 hours remaining, 109.652344 MB of memory in use. ENERGY: 480300 679.6240 1885.9620 2011.0554 119.1706 -15.4870 -1037.7743 151.2789 0.0000 2796.1446 6589.9742 308.8420 3793.8296 6625.9354 307.8911 LDB: ============= START OF LOAD BALANCING ============== 1916.36 LDB: ============== END OF LOAD BALANCING =============== 1916.36 LDB: =============== DONE WITH MIGRATION ================ 1916.36 PRESSURE: 480400 0 0 0 0 0 0 0 0 0 GPRESSURE: 480400 0 0 0 0 0 0 0 0 0 PRESSAVG: 480400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480400 0 0 0 0 0 0 0 0 0 TIMING: 480400 CPU: 1913.98, 0.00399576/step Wall: 1913.98, 0.00399576/step, 0.0217547 hours remaining, 109.652344 MB of memory in use. ENERGY: 480400 657.1953 1919.2357 2019.7915 111.4572 -14.5020 -1021.7674 170.3987 0.0000 2726.0033 6567.8122 301.0947 3841.8089 6602.0663 305.5880 PRESSURE: 480500 0 0 0 0 0 0 0 0 0 GPRESSURE: 480500 0 0 0 0 0 0 0 0 0 PRESSAVG: 480500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480500 0 0 0 0 0 0 0 0 0 TIMING: 480500 CPU: 1914.38, 0.00397175/step Wall: 1914.38, 0.00397175/step, 0.0215136 hours remaining, 109.652344 MB of memory in use. ENERGY: 480500 655.9858 1973.4387 1989.2338 106.4685 -14.5166 -1027.3137 160.9710 0.0000 2715.2352 6559.5026 299.9053 3844.2674 6591.1653 303.8868 PRESSURE: 480600 0 0 0 0 0 0 0 0 0 GPRESSURE: 480600 0 0 0 0 0 0 0 0 0 PRESSAVG: 480600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480600 0 0 0 0 0 0 0 0 0 TIMING: 480600 CPU: 1914.77, 0.00397745/step Wall: 1914.77, 0.00397745/step, 0.021434 hours remaining, 109.652344 MB of memory in use. ENERGY: 480600 674.1981 1929.1687 2016.1216 99.6410 -15.1292 -1056.8952 165.7954 0.0000 2786.7910 6599.6915 307.8088 3812.9004 6630.8343 306.2641 PRESSURE: 480700 0 0 0 0 0 0 0 0 0 GPRESSURE: 480700 0 0 0 0 0 0 0 0 0 PRESSAVG: 480700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480700 0 0 0 0 0 0 0 0 0 TIMING: 480700 CPU: 1915.17, 0.00397466/step Wall: 1915.17, 0.00397466/step, 0.0213086 hours remaining, 109.652344 MB of memory in use. ENERGY: 480700 646.7318 1987.4070 2065.4704 107.0975 -15.1309 -1066.9220 159.2305 0.0000 2718.1124 6601.9965 300.2231 3883.8842 6636.9932 307.0519 PRESSURE: 480800 0 0 0 0 0 0 0 0 0 GPRESSURE: 480800 0 0 0 0 0 0 0 0 0 PRESSAVG: 480800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480800 0 0 0 0 0 0 0 0 0 TIMING: 480800 CPU: 1915.57, 0.00397071/step Wall: 1915.57, 0.00397071/step, 0.0211771 hours remaining, 109.652344 MB of memory in use. ENERGY: 480800 661.8960 1935.6292 1982.8380 100.3650 -14.4335 -1048.8104 171.2898 0.0000 2789.1258 6577.8999 308.0667 3788.7741 6609.9036 306.8794 PRESSURE: 480900 0 0 0 0 0 0 0 0 0 GPRESSURE: 480900 0 0 0 0 0 0 0 0 0 PRESSAVG: 480900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 480900 0 0 0 0 0 0 0 0 0 TIMING: 480900 CPU: 1915.97, 0.00398212/step Wall: 1915.97, 0.00398212/step, 0.0211274 hours remaining, 109.652344 MB of memory in use. ENERGY: 480900 659.1250 1939.1391 2046.0631 100.4029 -15.2061 -1026.5161 156.1058 0.0000 2726.9804 6586.0941 301.2026 3859.1137 6619.4306 305.3481 PRESSURE: 481000 0 0 0 0 0 0 0 0 0 GPRESSURE: 481000 0 0 0 0 0 0 0 0 0 PRESSAVG: 481000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481000 0 0 0 0 0 0 0 0 0 TIMING: 481000 CPU: 1916.36, 0.00397124/step Wall: 1916.36, 0.00397124/step, 0.0209593 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 481000 633.1511 1908.7773 2004.4471 113.6333 -14.3726 -1032.3310 161.7773 0.0000 2782.6881 6557.7707 307.3557 3775.0826 6591.8517 304.9327 PRESSURE: 481100 0 0 0 0 0 0 0 0 0 GPRESSURE: 481100 0 0 0 0 0 0 0 0 0 PRESSAVG: 481100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481100 0 0 0 0 0 0 0 0 0 TIMING: 481100 CPU: 1916.76, 0.00397018/step Wall: 1916.76, 0.00397018/step, 0.0208434 hours remaining, 109.652344 MB of memory in use. ENERGY: 481100 658.9784 1843.8773 2030.5959 111.5093 -15.2364 -1029.5579 158.6031 0.0000 2786.1160 6544.8857 307.7343 3758.7697 6576.8574 303.1534 PRESSURE: 481200 0 0 0 0 0 0 0 0 0 GPRESSURE: 481200 0 0 0 0 0 0 0 0 0 PRESSAVG: 481200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481200 0 0 0 0 0 0 0 0 0 TIMING: 481200 CPU: 1917.16, 0.00397933/step Wall: 1917.16, 0.00397932/step, 0.0207809 hours remaining, 109.652344 MB of memory in use. ENERGY: 481200 647.4909 1885.4171 2005.8849 108.6809 -15.8335 -1034.7496 159.6795 0.0000 2798.5317 6555.1019 309.1056 3756.5701 6589.6248 303.7747 PRESSURE: 481300 0 0 0 0 0 0 0 0 0 GPRESSURE: 481300 0 0 0 0 0 0 0 0 0 PRESSAVG: 481300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481300 0 0 0 0 0 0 0 0 0 TIMING: 481300 CPU: 1917.56, 0.00397088/step Wall: 1917.56, 0.00397089/step, 0.0206266 hours remaining, 109.652344 MB of memory in use. ENERGY: 481300 637.8863 1868.6937 2041.7262 105.0880 -14.8110 -1052.0256 170.1396 0.0000 2798.0121 6554.7091 309.0482 3756.6970 6589.5872 304.1478 PRESSURE: 481400 0 0 0 0 0 0 0 0 0 GPRESSURE: 481400 0 0 0 0 0 0 0 0 0 PRESSAVG: 481400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481400 0 0 0 0 0 0 0 0 0 TIMING: 481400 CPU: 1917.95, 0.0039803/step Wall: 1917.95, 0.0039803/step, 0.0205649 hours remaining, 109.652344 MB of memory in use. ENERGY: 481400 653.2888 1860.8337 2032.7610 104.1413 -14.8524 -1054.2772 162.3095 0.0000 2790.5501 6534.7547 308.2240 3744.2046 6569.7508 304.1637 PRESSURE: 481500 0 0 0 0 0 0 0 0 0 GPRESSURE: 481500 0 0 0 0 0 0 0 0 0 PRESSAVG: 481500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481500 0 0 0 0 0 0 0 0 0 TIMING: 481500 CPU: 1918.35, 0.00396775/step Wall: 1918.35, 0.00396775/step, 0.0203898 hours remaining, 109.652344 MB of memory in use. ENERGY: 481500 654.2039 1898.8134 2011.9002 111.5489 -16.0559 -1019.6140 173.2580 0.0000 2744.0136 6558.0680 303.0839 3814.0544 6591.3606 303.7721 PRESSURE: 481600 0 0 0 0 0 0 0 0 0 GPRESSURE: 481600 0 0 0 0 0 0 0 0 0 PRESSAVG: 481600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481600 0 0 0 0 0 0 0 0 0 TIMING: 481600 CPU: 1918.75, 0.00396886/step Wall: 1918.75, 0.00396886/step, 0.0202853 hours remaining, 109.652344 MB of memory in use. ENERGY: 481600 676.6489 1916.5945 2011.2183 103.9905 -15.3564 -1032.7094 155.1810 0.0000 2726.4278 6541.9952 301.1415 3815.5674 6575.8448 303.6996 PRESSURE: 481700 0 0 0 0 0 0 0 0 0 GPRESSURE: 481700 0 0 0 0 0 0 0 0 0 PRESSAVG: 481700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481700 0 0 0 0 0 0 0 0 0 TIMING: 481700 CPU: 1919.14, 0.00397941/step Wall: 1919.14, 0.00397941/step, 0.0202287 hours remaining, 109.652344 MB of memory in use. ENERGY: 481700 664.3400 1860.2562 2022.4116 108.8023 -15.7192 -1037.7676 146.5484 0.0000 2760.5309 6509.4026 304.9083 3748.8717 6545.2730 302.9726 PRESSURE: 481800 0 0 0 0 0 0 0 0 0 GPRESSURE: 481800 0 0 0 0 0 0 0 0 0 PRESSAVG: 481800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481800 0 0 0 0 0 0 0 0 0 TIMING: 481800 CPU: 1919.54, 0.00397391/step Wall: 1919.54, 0.00397391/step, 0.0200903 hours remaining, 109.652344 MB of memory in use. ENERGY: 481800 669.7465 1924.7999 2023.2426 104.2507 -14.9368 -1049.8821 152.8090 0.0000 2731.8457 6541.8755 301.7400 3810.0298 6574.2853 301.7576 PRESSURE: 481900 0 0 0 0 0 0 0 0 0 GPRESSURE: 481900 0 0 0 0 0 0 0 0 0 PRESSAVG: 481900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 481900 0 0 0 0 0 0 0 0 0 TIMING: 481900 CPU: 1919.94, 0.00397997/step Wall: 1919.94, 0.00397997/step, 0.0200104 hours remaining, 109.652344 MB of memory in use. ENERGY: 481900 625.3228 1874.9331 2009.3818 104.6702 -13.8149 -1010.8559 174.4307 0.0000 2764.4921 6528.5599 305.3459 3764.0677 6562.4947 302.3716 PRESSURE: 482000 0 0 0 0 0 0 0 0 0 GPRESSURE: 482000 0 0 0 0 0 0 0 0 0 PRESSAVG: 482000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482000 0 0 0 0 0 0 0 0 0 TIMING: 482000 CPU: 1920.34, 0.0039708/step Wall: 1920.34, 0.0039708/step, 0.019854 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 482000 671.4612 1903.1418 2023.9726 104.9303 -15.0457 -1040.5839 170.9568 0.0000 2769.9783 6588.8115 305.9518 3818.8332 6622.2368 303.7830 PRESSURE: 482100 0 0 0 0 0 0 0 0 0 GPRESSURE: 482100 0 0 0 0 0 0 0 0 0 PRESSAVG: 482100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482100 0 0 0 0 0 0 0 0 0 TIMING: 482100 CPU: 1920.73, 0.00397289/step Wall: 1920.73, 0.00397289/step, 0.0197541 hours remaining, 109.652344 MB of memory in use. ENERGY: 482100 627.2010 1884.7369 2033.3215 89.7149 -14.4999 -1017.4769 176.2464 0.0000 2784.5447 6563.7886 307.5607 3779.2439 6594.6985 305.0719 PRESSURE: 482200 0 0 0 0 0 0 0 0 0 GPRESSURE: 482200 0 0 0 0 0 0 0 0 0 PRESSAVG: 482200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482200 0 0 0 0 0 0 0 0 0 TIMING: 482200 CPU: 1921.13, 0.00398243/step Wall: 1921.13, 0.00398243/step, 0.0196909 hours remaining, 109.652344 MB of memory in use. ENERGY: 482200 656.8572 1918.1100 1997.7590 114.0433 -15.3697 -1013.9160 145.4645 0.0000 2750.1670 6553.1152 303.7636 3802.9482 6582.2399 304.8699 PRESSURE: 482300 0 0 0 0 0 0 0 0 0 GPRESSURE: 482300 0 0 0 0 0 0 0 0 0 PRESSAVG: 482300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482300 0 0 0 0 0 0 0 0 0 TIMING: 482300 CPU: 1921.53, 0.00397095/step Wall: 1921.53, 0.00397095/step, 0.0195238 hours remaining, 109.652344 MB of memory in use. ENERGY: 482300 657.1259 1841.9138 2038.5816 101.6337 -14.7288 -1019.2556 176.9078 0.0000 2774.0109 6556.1893 306.3972 3782.1785 6590.3972 305.3834 PRESSURE: 482400 0 0 0 0 0 0 0 0 0 GPRESSURE: 482400 0 0 0 0 0 0 0 0 0 PRESSAVG: 482400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482400 0 0 0 0 0 0 0 0 0 TIMING: 482400 CPU: 1921.93, 0.00397891/step Wall: 1921.93, 0.00397891/step, 0.0194525 hours remaining, 109.652344 MB of memory in use. ENERGY: 482400 628.2811 1879.6658 2031.5764 98.7845 -14.7281 -1035.6941 159.4179 0.0000 2766.6577 6513.9612 305.5851 3747.3035 6547.5489 304.3612 PRESSURE: 482500 0 0 0 0 0 0 0 0 0 GPRESSURE: 482500 0 0 0 0 0 0 0 0 0 PRESSAVG: 482500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482500 0 0 0 0 0 0 0 0 0 TIMING: 482500 CPU: 1922.32, 0.00396963/step Wall: 1922.32, 0.00396963/step, 0.0192968 hours remaining, 109.652344 MB of memory in use. ENERGY: 482500 691.2083 1884.4819 2015.7729 99.9322 -15.3713 -1029.6909 176.6040 0.0000 2671.9004 6494.8373 295.1188 3822.9370 6526.5714 300.8003 PRESSURE: 482600 0 0 0 0 0 0 0 0 0 GPRESSURE: 482600 0 0 0 0 0 0 0 0 0 PRESSAVG: 482600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482600 0 0 0 0 0 0 0 0 0 TIMING: 482600 CPU: 1922.72, 0.0039695/step Wall: 1922.72, 0.0039695/step, 0.0191859 hours remaining, 109.652344 MB of memory in use. ENERGY: 482600 667.6799 1874.5260 2022.1270 98.6612 -15.0222 -1024.2174 175.8354 0.0000 2699.0874 6498.6772 298.1217 3799.5899 6529.4350 300.7733 PRESSURE: 482700 0 0 0 0 0 0 0 0 0 GPRESSURE: 482700 0 0 0 0 0 0 0 0 0 PRESSAVG: 482700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482700 0 0 0 0 0 0 0 0 0 TIMING: 482700 CPU: 1923.12, 0.00397894/step Wall: 1923.12, 0.00397894/step, 0.019121 hours remaining, 109.652344 MB of memory in use. ENERGY: 482700 656.7656 1886.9491 1987.8537 101.7334 -15.2474 -1050.2382 155.6785 0.0000 2786.9396 6510.4343 307.8252 3723.4948 6545.2180 301.3841 PRESSURE: 482800 0 0 0 0 0 0 0 0 0 GPRESSURE: 482800 0 0 0 0 0 0 0 0 0 PRESSAVG: 482800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482800 0 0 0 0 0 0 0 0 0 TIMING: 482800 CPU: 1923.52, 0.00396992/step Wall: 1923.52, 0.00396992/step, 0.0189674 hours remaining, 109.652344 MB of memory in use. ENERGY: 482800 664.7453 1877.5954 1992.1003 96.3491 -14.9625 -1035.5180 158.0505 0.0000 2765.0971 6503.4573 305.4127 3738.3602 6538.6614 300.7647 PRESSURE: 482900 0 0 0 0 0 0 0 0 0 GPRESSURE: 482900 0 0 0 0 0 0 0 0 0 PRESSAVG: 482900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 482900 0 0 0 0 0 0 0 0 0 TIMING: 482900 CPU: 1923.91, 0.00397873/step Wall: 1923.91, 0.00397873/step, 0.018899 hours remaining, 109.652344 MB of memory in use. ENERGY: 482900 669.9335 1918.5478 2039.7899 107.0668 -16.1106 -1046.7736 150.8107 0.0000 2680.6599 6503.9244 296.0864 3823.2645 6536.1763 301.2246 PRESSURE: 483000 0 0 0 0 0 0 0 0 0 GPRESSURE: 483000 0 0 0 0 0 0 0 0 0 PRESSAVG: 483000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483000 0 0 0 0 0 0 0 0 0 TIMING: 483000 CPU: 1924.31, 0.0039693/step Wall: 1924.31, 0.0039693/step, 0.0187439 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 483000 648.5791 1809.9102 2056.4210 101.2973 -15.5457 -1034.9222 164.2676 0.0000 2730.8444 6460.8516 301.6294 3730.0073 6496.0139 300.2070 PRESSURE: 483100 0 0 0 0 0 0 0 0 0 GPRESSURE: 483100 0 0 0 0 0 0 0 0 0 PRESSAVG: 483100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483100 0 0 0 0 0 0 0 0 0 TIMING: 483100 CPU: 1924.71, 0.00396873/step Wall: 1924.71, 0.00396873/step, 0.018631 hours remaining, 109.652344 MB of memory in use. ENERGY: 483100 647.7560 1894.5045 2018.9700 102.5461 -15.3432 -1026.3542 160.9864 0.0000 2684.5460 6467.6116 296.5156 3783.0656 6498.6706 300.3071 PRESSURE: 483200 0 0 0 0 0 0 0 0 0 GPRESSURE: 483200 0 0 0 0 0 0 0 0 0 PRESSAVG: 483200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483200 0 0 0 0 0 0 0 0 0 TIMING: 483200 CPU: 1925.11, 0.00397998/step Wall: 1925.11, 0.00397998/step, 0.0185732 hours remaining, 109.652344 MB of memory in use. ENERGY: 483200 671.8709 1882.4943 2075.6697 109.8166 -14.0824 -1079.0687 170.0542 0.0000 2680.8004 6497.5551 296.1019 3816.7547 6533.6861 300.5318 PRESSURE: 483300 0 0 0 0 0 0 0 0 0 GPRESSURE: 483300 0 0 0 0 0 0 0 0 0 PRESSAVG: 483300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483300 0 0 0 0 0 0 0 0 0 TIMING: 483300 CPU: 1925.5, 0.0039699/step Wall: 1925.5, 0.0039699/step, 0.0184159 hours remaining, 109.652344 MB of memory in use. ENERGY: 483300 671.0190 1885.6927 2009.1988 106.9888 -14.5331 -1032.0593 144.4663 0.0000 2729.5608 6500.3340 301.4876 3770.7733 6535.5592 301.5288 PRESSURE: 483400 0 0 0 0 0 0 0 0 0 GPRESSURE: 483400 0 0 0 0 0 0 0 0 0 PRESSAVG: 483400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483400 0 0 0 0 0 0 0 0 0 TIMING: 483400 CPU: 1925.9, 0.00397964/step Wall: 1925.9, 0.00397964/step, 0.0183506 hours remaining, 109.652344 MB of memory in use. ENERGY: 483400 625.6634 1915.2380 2020.9654 117.1429 -14.2502 -1027.3189 152.6884 0.0000 2730.9151 6521.0442 301.6372 3790.1291 6556.7033 301.4695 PRESSURE: 483500 0 0 0 0 0 0 0 0 0 GPRESSURE: 483500 0 0 0 0 0 0 0 0 0 PRESSAVG: 483500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483500 0 0 0 0 0 0 0 0 0 TIMING: 483500 CPU: 1926.3, 0.00396932/step Wall: 1926.3, 0.00396932/step, 0.0181927 hours remaining, 109.652344 MB of memory in use. ENERGY: 483500 655.5038 1918.6305 2041.4306 98.1509 -14.8644 -1031.1500 177.9540 0.0000 2708.5904 6554.2458 299.1714 3845.6553 6585.0227 303.1144 PRESSURE: 483600 0 0 0 0 0 0 0 0 0 GPRESSURE: 483600 0 0 0 0 0 0 0 0 0 PRESSAVG: 483600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483600 0 0 0 0 0 0 0 0 0 TIMING: 483600 CPU: 1926.7, 0.00397066/step Wall: 1926.7, 0.00397066/step, 0.0180886 hours remaining, 109.652344 MB of memory in use. ENERGY: 483600 661.0018 1869.9119 2001.5961 122.2656 -14.7511 -1045.7505 154.8239 0.0000 2795.9262 6545.0239 308.8178 3749.0977 6578.7801 304.8657 PRESSURE: 483700 0 0 0 0 0 0 0 0 0 GPRESSURE: 483700 0 0 0 0 0 0 0 0 0 PRESSAVG: 483700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483700 0 0 0 0 0 0 0 0 0 TIMING: 483700 CPU: 1927.09, 0.00397944/step Wall: 1927.09, 0.00397944/step, 0.018018 hours remaining, 109.652344 MB of memory in use. ENERGY: 483700 634.2550 1889.8283 2023.9350 111.1820 -15.9384 -1043.2088 166.9965 0.0000 2751.3651 6518.4147 303.8959 3767.0496 6549.1600 302.9732 PRESSURE: 483800 0 0 0 0 0 0 0 0 0 GPRESSURE: 483800 0 0 0 0 0 0 0 0 0 PRESSAVG: 483800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483800 0 0 0 0 0 0 0 0 0 TIMING: 483800 CPU: 1927.49, 0.00397084/step Wall: 1927.49, 0.00397084/step, 0.0178688 hours remaining, 109.652344 MB of memory in use. ENERGY: 483800 632.6915 1869.5123 2032.0483 103.9922 -15.3724 -995.9746 177.1319 0.0000 2723.3740 6527.4033 300.8042 3804.0293 6560.2593 302.6174 PRESSURE: 483900 0 0 0 0 0 0 0 0 0 GPRESSURE: 483900 0 0 0 0 0 0 0 0 0 PRESSAVG: 483900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 483900 0 0 0 0 0 0 0 0 0 TIMING: 483900 CPU: 1927.89, 0.00397881/step Wall: 1927.89, 0.00397881/step, 0.0177941 hours remaining, 109.652344 MB of memory in use. ENERGY: 483900 695.5210 1850.2956 2003.5558 111.7566 -13.6962 -1062.4045 163.4369 0.0000 2762.4178 6510.8829 305.1167 3748.4651 6542.9922 301.8413 PRESSURE: 484000 0 0 0 0 0 0 0 0 0 GPRESSURE: 484000 0 0 0 0 0 0 0 0 0 PRESSAVG: 484000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484000 0 0 0 0 0 0 0 0 0 TIMING: 484000 CPU: 1928.29, 0.00397254/step Wall: 1928.29, 0.00397253/step, 0.0176557 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 484000 625.9499 1929.2530 2017.5178 104.6992 -15.3125 -1023.0931 166.8794 0.0000 2695.2152 6501.1089 297.6940 3805.8937 6533.2200 302.3552 PRESSURE: 484100 0 0 0 0 0 0 0 0 0 GPRESSURE: 484100 0 0 0 0 0 0 0 0 0 PRESSAVG: 484100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484100 0 0 0 0 0 0 0 0 0 TIMING: 484100 CPU: 1928.68, 0.00396782/step Wall: 1928.68, 0.00396783/step, 0.0175246 hours remaining, 109.652344 MB of memory in use. ENERGY: 484100 626.7707 1872.6918 2009.0786 98.6473 -14.7807 -1009.1986 167.1160 0.0000 2762.9638 6513.2889 305.1771 3750.3251 6544.0837 301.5583 PRESSURE: 484200 0 0 0 0 0 0 0 0 0 GPRESSURE: 484200 0 0 0 0 0 0 0 0 0 PRESSAVG: 484200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484200 0 0 0 0 0 0 0 0 0 TIMING: 484200 CPU: 1929.08, 0.00397979/step Wall: 1929.08, 0.00397979/step, 0.0174669 hours remaining, 109.652344 MB of memory in use. ENERGY: 484200 656.4787 1796.6482 2001.9121 103.1214 -15.1940 -1003.7537 153.4591 0.0000 2759.2983 6451.9701 304.7722 3692.6719 6485.9852 300.8450 LDB: ============= START OF LOAD BALANCING ============== 1931.85 LDB: ============== END OF LOAD BALANCING =============== 1931.85 LDB: =============== DONE WITH MIGRATION ================ 1931.85 PRESSURE: 484300 0 0 0 0 0 0 0 0 0 GPRESSURE: 484300 0 0 0 0 0 0 0 0 0 PRESSAVG: 484300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484300 0 0 0 0 0 0 0 0 0 TIMING: 484300 CPU: 1929.48, 0.0039715/step Wall: 1929.48, 0.0039715/step, 0.0173202 hours remaining, 109.652344 MB of memory in use. ENERGY: 484300 657.9818 1825.3244 2020.0769 117.4308 -16.0832 -1024.7457 174.2677 0.0000 2727.3633 6481.6160 301.2449 3754.2528 6513.9610 301.5239 LDB: ============= START OF LOAD BALANCING ============== 1932.25 LDB: ============== END OF LOAD BALANCING =============== 1932.25 LDB: =============== DONE WITH MIGRATION ================ 1932.25 PRESSURE: 484400 0 0 0 0 0 0 0 0 0 GPRESSURE: 484400 0 0 0 0 0 0 0 0 0 PRESSAVG: 484400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484400 0 0 0 0 0 0 0 0 0 TIMING: 484400 CPU: 1929.88, 0.00398751/step Wall: 1929.88, 0.00398751/step, 0.0172792 hours remaining, 109.652344 MB of memory in use. ENERGY: 484400 628.1921 1882.0457 2027.2969 111.9228 -15.8275 -1043.5711 154.8810 0.0000 2685.7195 6430.6593 296.6452 3744.9399 6464.6460 298.9683 PRESSURE: 484500 0 0 0 0 0 0 0 0 0 GPRESSURE: 484500 0 0 0 0 0 0 0 0 0 PRESSAVG: 484500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484500 0 0 0 0 0 0 0 0 0 TIMING: 484500 CPU: 1930.27, 0.00397228/step Wall: 1930.27, 0.00397228/step, 0.0171029 hours remaining, 109.652344 MB of memory in use. ENERGY: 484500 637.2388 1914.8463 2001.0820 106.9213 -14.7441 -1033.0762 171.5917 0.0000 2675.5700 6459.4299 295.5242 3783.8598 6492.6106 298.4339 PRESSURE: 484600 0 0 0 0 0 0 0 0 0 GPRESSURE: 484600 0 0 0 0 0 0 0 0 0 PRESSAVG: 484600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484600 0 0 0 0 0 0 0 0 0 TIMING: 484600 CPU: 1930.67, 0.00397238/step Wall: 1930.67, 0.00397238/step, 0.016993 hours remaining, 109.652344 MB of memory in use. ENERGY: 484600 661.7567 1851.6536 2012.3945 106.7151 -15.5432 -1020.2580 172.0179 0.0000 2725.4047 6494.1413 301.0285 3768.7366 6525.2383 299.8025 PRESSURE: 484700 0 0 0 0 0 0 0 0 0 GPRESSURE: 484700 0 0 0 0 0 0 0 0 0 PRESSAVG: 484700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484700 0 0 0 0 0 0 0 0 0 TIMING: 484700 CPU: 1931.07, 0.00397839/step Wall: 1931.07, 0.00397839/step, 0.0169082 hours remaining, 109.652344 MB of memory in use. ENERGY: 484700 656.1119 1879.1125 2032.6462 103.3519 -16.8821 -1050.5419 158.9320 0.0000 2732.5287 6495.2591 301.8154 3762.7304 6530.6161 301.8156 PRESSURE: 484800 0 0 0 0 0 0 0 0 0 GPRESSURE: 484800 0 0 0 0 0 0 0 0 0 PRESSAVG: 484800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484800 0 0 0 0 0 0 0 0 0 TIMING: 484800 CPU: 1931.47, 0.00396849/step Wall: 1931.47, 0.00396849/step, 0.0167558 hours remaining, 109.652344 MB of memory in use. ENERGY: 484800 689.6535 1860.7621 2038.9511 108.6079 -16.0887 -1076.6060 160.7172 0.0000 2733.7706 6499.7676 301.9526 3765.9971 6533.9961 301.5020 PRESSURE: 484900 0 0 0 0 0 0 0 0 0 GPRESSURE: 484900 0 0 0 0 0 0 0 0 0 PRESSAVG: 484900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 484900 0 0 0 0 0 0 0 0 0 TIMING: 484900 CPU: 1931.87, 0.00401092/step Wall: 1931.87, 0.00401092/step, 0.0168236 hours remaining, 109.652344 MB of memory in use. ENERGY: 484900 650.1624 1888.6675 2002.7411 112.8416 -15.9324 -1034.7603 168.9735 0.0000 2699.7958 6472.4892 298.2000 3772.6934 6500.8745 301.2563 PRESSURE: 485000 0 0 0 0 0 0 0 0 0 GPRESSURE: 485000 0 0 0 0 0 0 0 0 0 PRESSAVG: 485000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485000 0 0 0 0 0 0 0 0 0 TIMING: 485000 CPU: 1932.26, 0.00397145/step Wall: 1932.26, 0.00397145/step, 0.0165477 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 485000 675.2414 1880.1991 2013.8564 115.6633 -14.4501 -1036.7817 159.2652 0.0000 2725.8141 6518.8076 301.0738 3792.9935 6552.8654 300.3730 PRESSURE: 485100 0 0 0 0 0 0 0 0 0 GPRESSURE: 485100 0 0 0 0 0 0 0 0 0 PRESSAVG: 485100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485100 0 0 0 0 0 0 0 0 0 TIMING: 485100 CPU: 1932.66, 0.00397383/step Wall: 1932.66, 0.00397383/step, 0.0164472 hours remaining, 109.652344 MB of memory in use. ENERGY: 485100 676.4788 1837.8298 2006.5660 102.3687 -15.0286 -1002.4369 169.7382 0.0000 2771.7288 6547.2449 306.1452 3775.5161 6579.9208 302.9013 PRESSURE: 485200 0 0 0 0 0 0 0 0 0 GPRESSURE: 485200 0 0 0 0 0 0 0 0 0 PRESSAVG: 485200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485200 0 0 0 0 0 0 0 0 0 TIMING: 485200 CPU: 1933.06, 0.00398228/step Wall: 1933.06, 0.00398228/step, 0.0163716 hours remaining, 109.652344 MB of memory in use. ENERGY: 485200 645.0317 1855.5004 2036.9101 112.3982 -15.2657 -1015.6810 170.3957 0.0000 2771.8692 6561.1585 306.1607 3789.2893 6593.8521 304.1740 PRESSURE: 485300 0 0 0 0 0 0 0 0 0 GPRESSURE: 485300 0 0 0 0 0 0 0 0 0 PRESSAVG: 485300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485300 0 0 0 0 0 0 0 0 0 TIMING: 485300 CPU: 1933.46, 0.00397471/step Wall: 1933.46, 0.00397471/step, 0.0162301 hours remaining, 109.652344 MB of memory in use. ENERGY: 485300 680.1118 1891.9052 1997.8869 106.9112 -14.1412 -1007.7854 166.3355 0.0000 2751.0228 6572.2468 303.8581 3821.2240 6606.0636 304.1178 PRESSURE: 485400 0 0 0 0 0 0 0 0 0 GPRESSURE: 485400 0 0 0 0 0 0 0 0 0 PRESSAVG: 485400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485400 0 0 0 0 0 0 0 0 0 TIMING: 485400 CPU: 1933.85, 0.00398271/step Wall: 1933.85, 0.00398271/step, 0.0161521 hours remaining, 109.652344 MB of memory in use. ENERGY: 485400 628.9133 1854.8456 2025.8334 111.5219 -14.7716 -1003.8568 166.0410 0.0000 2772.2234 6540.7501 306.1998 3768.5268 6574.4662 304.5584 PRESSURE: 485500 0 0 0 0 0 0 0 0 0 GPRESSURE: 485500 0 0 0 0 0 0 0 0 0 PRESSAVG: 485500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485500 0 0 0 0 0 0 0 0 0 TIMING: 485500 CPU: 1934.25, 0.00396987/step Wall: 1934.25, 0.00396987/step, 0.0159898 hours remaining, 109.652344 MB of memory in use. ENERGY: 485500 640.9520 1838.8680 2046.7043 104.5466 -15.5152 -1022.1357 172.1455 0.0000 2743.1374 6508.7028 302.9872 3765.5654 6542.9710 301.7838 PRESSURE: 485600 0 0 0 0 0 0 0 0 0 GPRESSURE: 485600 0 0 0 0 0 0 0 0 0 PRESSAVG: 485600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485600 0 0 0 0 0 0 0 0 0 TIMING: 485600 CPU: 1934.65, 0.00397055/step Wall: 1934.65, 0.00397055/step, 0.0158822 hours remaining, 109.652344 MB of memory in use. ENERGY: 485600 649.3687 1927.8264 1997.8473 100.6665 -16.6513 -1018.1444 148.7334 0.0000 2763.4800 6553.1265 305.2341 3789.6465 6585.4808 303.7244 PRESSURE: 485700 0 0 0 0 0 0 0 0 0 GPRESSURE: 485700 0 0 0 0 0 0 0 0 0 PRESSAVG: 485700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485700 0 0 0 0 0 0 0 0 0 TIMING: 485700 CPU: 1935.05, 0.00397973/step Wall: 1935.05, 0.00397973/step, 0.0158084 hours remaining, 109.652344 MB of memory in use. ENERGY: 485700 676.6215 1859.7750 2008.0055 111.1402 -16.3335 -1020.9306 175.2907 0.0000 2765.6823 6559.2510 305.4773 3793.5687 6594.3328 305.6470 PRESSURE: 485800 0 0 0 0 0 0 0 0 0 GPRESSURE: 485800 0 0 0 0 0 0 0 0 0 PRESSAVG: 485800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485800 0 0 0 0 0 0 0 0 0 TIMING: 485800 CPU: 1935.44, 0.00397203/step Wall: 1935.44, 0.00397203/step, 0.0156675 hours remaining, 109.652344 MB of memory in use. ENERGY: 485800 670.1279 1940.6688 2011.4914 85.4163 -16.1574 -1053.8885 148.3292 0.0000 2767.4320 6553.4198 305.6706 3785.9878 6584.1342 305.0441 PRESSURE: 485900 0 0 0 0 0 0 0 0 0 GPRESSURE: 485900 0 0 0 0 0 0 0 0 0 PRESSAVG: 485900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 485900 0 0 0 0 0 0 0 0 0 TIMING: 485900 CPU: 1935.84, 0.00398225/step Wall: 1935.84, 0.00398225/step, 0.0155971 hours remaining, 109.652344 MB of memory in use. ENERGY: 485900 683.7370 1928.2324 2029.2328 105.1542 -15.3999 -1010.2305 163.6176 0.0000 2749.2008 6633.5445 303.6569 3884.3437 6664.0969 307.1658 PRESSURE: 486000 0 0 0 0 0 0 0 0 0 GPRESSURE: 486000 0 0 0 0 0 0 0 0 0 PRESSAVG: 486000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486000 0 0 0 0 0 0 0 0 0 TIMING: 486000 CPU: 1936.24, 0.00396991/step Wall: 1936.24, 0.00396991/step, 0.0154385 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 486000 663.0832 1912.0914 2020.7848 100.5856 -14.8616 -1020.7737 161.1170 0.0000 2794.9061 6616.9328 308.7052 3822.0267 6650.7967 308.5837 PRESSURE: 486100 0 0 0 0 0 0 0 0 0 GPRESSURE: 486100 0 0 0 0 0 0 0 0 0 PRESSAVG: 486100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486100 0 0 0 0 0 0 0 0 0 TIMING: 486100 CPU: 1936.64, 0.0039695/step Wall: 1936.64, 0.0039695/step, 0.0153267 hours remaining, 109.652344 MB of memory in use. ENERGY: 486100 718.7515 1899.3364 2016.9803 109.7023 -15.2505 -1063.8298 141.3593 0.0000 2853.1829 6660.2325 315.1420 3807.0496 6694.1612 307.8065 PRESSURE: 486200 0 0 0 0 0 0 0 0 0 GPRESSURE: 486200 0 0 0 0 0 0 0 0 0 PRESSAVG: 486200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486200 0 0 0 0 0 0 0 0 0 TIMING: 486200 CPU: 1937.03, 0.00398115/step Wall: 1937.03, 0.00398114/step, 0.015261 hours remaining, 109.652344 MB of memory in use. ENERGY: 486200 679.3950 1945.5472 2004.6151 102.6308 -14.3368 -999.1457 166.3603 0.0000 2791.7292 6676.7950 308.3543 3885.0658 6709.6004 310.2194 PRESSURE: 486300 0 0 0 0 0 0 0 0 0 GPRESSURE: 486300 0 0 0 0 0 0 0 0 0 PRESSAVG: 486300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486300 0 0 0 0 0 0 0 0 0 TIMING: 486300 CPU: 1937.43, 0.00397151/step Wall: 1937.43, 0.00397152/step, 0.0151138 hours remaining, 109.652344 MB of memory in use. ENERGY: 486300 671.4840 1913.0462 2026.2305 113.0914 -14.4398 -1017.6298 154.4610 0.0000 2819.3618 6665.6054 311.4064 3846.2436 6700.4468 310.4960 PRESSURE: 486400 0 0 0 0 0 0 0 0 0 GPRESSURE: 486400 0 0 0 0 0 0 0 0 0 PRESSAVG: 486400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486400 0 0 0 0 0 0 0 0 0 TIMING: 486400 CPU: 1937.83, 0.0039794/step Wall: 1937.83, 0.0039794/step, 0.0150333 hours remaining, 109.652344 MB of memory in use. ENERGY: 486400 671.1787 1890.9471 2006.8521 104.1918 -14.7167 -1049.0106 159.5879 0.0000 2869.5919 6638.6221 316.9544 3769.0303 6673.8458 309.0353 PRESSURE: 486500 0 0 0 0 0 0 0 0 0 GPRESSURE: 486500 0 0 0 0 0 0 0 0 0 PRESSAVG: 486500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486500 0 0 0 0 0 0 0 0 0 TIMING: 486500 CPU: 1938.23, 0.0039685/step Wall: 1938.23, 0.0039685/step, 0.0148819 hours remaining, 109.652344 MB of memory in use. ENERGY: 486500 666.0633 1956.0679 2013.0782 97.4590 -14.7007 -1059.4918 157.7223 0.0000 2785.8733 6602.0715 307.7075 3816.1982 6635.4671 306.7162 PRESSURE: 486600 0 0 0 0 0 0 0 0 0 GPRESSURE: 486600 0 0 0 0 0 0 0 0 0 PRESSAVG: 486600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486600 0 0 0 0 0 0 0 0 0 TIMING: 486600 CPU: 1938.62, 0.00397263/step Wall: 1938.62, 0.00397263/step, 0.014787 hours remaining, 109.652344 MB of memory in use. ENERGY: 486600 656.9925 1899.1894 2017.8846 111.9066 -14.7595 -1068.5727 168.1090 0.0000 2811.3249 6582.0748 310.5187 3770.7499 6618.3373 307.0682 PRESSURE: 486700 0 0 0 0 0 0 0 0 0 GPRESSURE: 486700 0 0 0 0 0 0 0 0 0 PRESSAVG: 486700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486700 0 0 0 0 0 0 0 0 0 TIMING: 486700 CPU: 1939.02, 0.00398048/step Wall: 1939.02, 0.00398048/step, 0.0147057 hours remaining, 109.652344 MB of memory in use. ENERGY: 486700 693.7147 1907.3850 1990.2861 97.6035 -15.4130 -1008.0069 164.5491 0.0000 2798.1611 6628.2797 309.0647 3830.1186 6661.8196 306.8154 PRESSURE: 486800 0 0 0 0 0 0 0 0 0 GPRESSURE: 486800 0 0 0 0 0 0 0 0 0 PRESSAVG: 486800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486800 0 0 0 0 0 0 0 0 0 TIMING: 486800 CPU: 1939.42, 0.00396986/step Wall: 1939.42, 0.00396986/step, 0.0145562 hours remaining, 109.652344 MB of memory in use. ENERGY: 486800 650.4632 1927.4723 2031.5448 101.1450 -14.9936 -1018.6332 169.9074 0.0000 2805.2178 6652.1238 309.8441 3846.9061 6683.3450 308.9146 PRESSURE: 486900 0 0 0 0 0 0 0 0 0 GPRESSURE: 486900 0 0 0 0 0 0 0 0 0 PRESSAVG: 486900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 486900 0 0 0 0 0 0 0 0 0 TIMING: 486900 CPU: 1939.82, 0.00397689/step Wall: 1939.82, 0.00397689/step, 0.0144715 hours remaining, 109.652344 MB of memory in use. ENERGY: 486900 719.4344 1911.7143 1998.6983 96.4020 -14.7100 -1033.4983 154.6586 0.0000 2796.4762 6629.1755 308.8786 3832.6993 6662.4874 309.9355 PRESSURE: 487000 0 0 0 0 0 0 0 0 0 GPRESSURE: 487000 0 0 0 0 0 0 0 0 0 PRESSAVG: 487000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487000 0 0 0 0 0 0 0 0 0 TIMING: 487000 CPU: 1940.21, 0.00397338/step Wall: 1940.21, 0.00397338/step, 0.0143483 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 487000 679.4261 1869.4997 1995.3009 106.2586 -14.3103 -1031.6857 161.1101 0.0000 2775.2328 6540.8322 306.5322 3765.5994 6575.7119 305.4949 PRESSURE: 487100 0 0 0 0 0 0 0 0 0 GPRESSURE: 487100 0 0 0 0 0 0 0 0 0 PRESSAVG: 487100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487100 0 0 0 0 0 0 0 0 0 TIMING: 487100 CPU: 1940.61, 0.00396888/step Wall: 1940.61, 0.00396888/step, 0.0142218 hours remaining, 109.652344 MB of memory in use. ENERGY: 487100 657.8859 1905.0242 2022.1904 105.8376 -13.1497 -1067.4020 173.3869 0.0000 2747.8133 6531.5866 303.5036 3783.7733 6563.4398 303.4950 PRESSURE: 487200 0 0 0 0 0 0 0 0 0 GPRESSURE: 487200 0 0 0 0 0 0 0 0 0 PRESSAVG: 487200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487200 0 0 0 0 0 0 0 0 0 TIMING: 487200 CPU: 1941.01, 0.00398229/step Wall: 1941.01, 0.00398229/step, 0.0141592 hours remaining, 109.652344 MB of memory in use. ENERGY: 487200 648.8813 1864.6945 2023.0494 100.3791 -15.0230 -1049.0582 164.5720 0.0000 2761.0026 6498.4978 304.9604 3737.4952 6535.8621 303.5135 PRESSURE: 487300 0 0 0 0 0 0 0 0 0 GPRESSURE: 487300 0 0 0 0 0 0 0 0 0 PRESSAVG: 487300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487300 0 0 0 0 0 0 0 0 0 TIMING: 487300 CPU: 1941.41, 0.00397274/step Wall: 1941.41, 0.00397273/step, 0.0140149 hours remaining, 109.652344 MB of memory in use. ENERGY: 487300 637.9285 1838.5820 2024.5477 107.4180 -14.7424 -1029.8287 152.5974 0.0000 2723.8708 6440.3733 300.8591 3716.5025 6472.1141 300.5903 PRESSURE: 487400 0 0 0 0 0 0 0 0 0 GPRESSURE: 487400 0 0 0 0 0 0 0 0 0 PRESSAVG: 487400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487400 0 0 0 0 0 0 0 0 0 TIMING: 487400 CPU: 1941.8, 0.00396771/step Wall: 1941.8, 0.00396772/step, 0.013887 hours remaining, 109.652344 MB of memory in use. ENERGY: 487400 688.8494 1864.0650 2026.3242 106.3619 -15.4744 -1039.8933 168.1247 0.0000 2664.0484 6462.4058 294.2516 3798.3574 6496.5137 298.5161 PRESSURE: 487500 0 0 0 0 0 0 0 0 0 GPRESSURE: 487500 0 0 0 0 0 0 0 0 0 PRESSAVG: 487500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487500 0 0 0 0 0 0 0 0 0 TIMING: 487500 CPU: 1942.2, 0.00397963/step Wall: 1942.2, 0.00397963/step, 0.0138182 hours remaining, 109.652344 MB of memory in use. ENERGY: 487500 634.7458 1878.9225 2035.5903 117.8499 -15.7417 -1029.8440 160.4914 0.0000 2703.6510 6485.6652 298.6258 3782.0142 6516.6514 299.0934 PRESSURE: 487600 0 0 0 0 0 0 0 0 0 GPRESSURE: 487600 0 0 0 0 0 0 0 0 0 PRESSAVG: 487600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487600 0 0 0 0 0 0 0 0 0 TIMING: 487600 CPU: 1942.6, 0.00397224/step Wall: 1942.6, 0.00397224/step, 0.0136822 hours remaining, 109.652344 MB of memory in use. ENERGY: 487600 668.7864 1887.2852 1992.6011 113.7029 -15.2033 -1047.7813 165.2233 0.0000 2713.3666 6477.9808 299.6989 3764.6142 6511.0761 300.8620 PRESSURE: 487700 0 0 0 0 0 0 0 0 0 GPRESSURE: 487700 0 0 0 0 0 0 0 0 0 PRESSAVG: 487700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487700 0 0 0 0 0 0 0 0 0 TIMING: 487700 CPU: 1943, 0.00398114/step Wall: 1943, 0.00398114/step, 0.0136022 hours remaining, 109.652344 MB of memory in use. ENERGY: 487700 648.9829 1897.1867 2020.4467 125.1565 -13.6062 -1042.3188 159.6070 0.0000 2700.8440 6496.2987 298.3157 3795.4548 6529.5894 301.7833 PRESSURE: 487800 0 0 0 0 0 0 0 0 0 GPRESSURE: 487800 0 0 0 0 0 0 0 0 0 PRESSAVG: 487800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487800 0 0 0 0 0 0 0 0 0 TIMING: 487800 CPU: 1943.39, 0.00397271/step Wall: 1943.39, 0.00397271/step, 0.0134631 hours remaining, 109.652344 MB of memory in use. ENERGY: 487800 649.1584 1863.4584 1992.9613 113.9287 -14.7975 -1042.7617 161.1840 0.0000 2737.9298 6461.0614 302.4120 3723.1315 6492.5918 300.1478 PRESSURE: 487900 0 0 0 0 0 0 0 0 0 GPRESSURE: 487900 0 0 0 0 0 0 0 0 0 PRESSAVG: 487900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 487900 0 0 0 0 0 0 0 0 0 TIMING: 487900 CPU: 1943.79, 0.00397126/step Wall: 1943.79, 0.00397126/step, 0.0133478 hours remaining, 109.652344 MB of memory in use. ENERGY: 487900 663.1869 1856.9163 1989.4018 95.5111 -14.8492 -1030.0616 169.6102 0.0000 2732.7833 6462.4989 301.8435 3729.7156 6497.1327 299.9033 PRESSURE: 488000 0 0 0 0 0 0 0 0 0 GPRESSURE: 488000 0 0 0 0 0 0 0 0 0 PRESSAVG: 488000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488000 0 0 0 0 0 0 0 0 0 TIMING: 488000 CPU: 1944.19, 0.00397838/step Wall: 1944.19, 0.00397838/step, 0.0132613 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 488000 655.5311 1923.3221 2018.8137 110.6932 -14.9241 -1014.5701 169.6429 0.0000 2635.2822 6483.7910 291.0743 3848.5088 6511.0737 298.7409 PRESSURE: 488100 0 0 0 0 0 0 0 0 0 GPRESSURE: 488100 0 0 0 0 0 0 0 0 0 PRESSAVG: 488100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488100 0 0 0 0 0 0 0 0 0 TIMING: 488100 CPU: 1944.59, 0.00397043/step Wall: 1944.59, 0.00397043/step, 0.0131245 hours remaining, 109.652344 MB of memory in use. ENERGY: 488100 630.2569 1884.9494 2036.0558 102.1371 -15.5419 -1032.4130 160.6199 0.0000 2697.8055 6463.8697 297.9801 3766.0642 6496.8761 300.0479 PRESSURE: 488200 0 0 0 0 0 0 0 0 0 GPRESSURE: 488200 0 0 0 0 0 0 0 0 0 PRESSAVG: 488200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488200 0 0 0 0 0 0 0 0 0 TIMING: 488200 CPU: 1944.98, 0.00397942/step Wall: 1944.98, 0.00397942/step, 0.0130437 hours remaining, 109.652344 MB of memory in use. ENERGY: 488200 668.9374 1897.0289 2001.4645 109.4308 -14.9343 -1043.7170 160.0029 0.0000 2666.6379 6444.8510 294.5376 3778.2131 6479.8243 298.5701 LDB: ============= START OF LOAD BALANCING ============== 1947.76 LDB: ============== END OF LOAD BALANCING =============== 1947.76 LDB: =============== DONE WITH MIGRATION ================ 1947.76 PRESSURE: 488300 0 0 0 0 0 0 0 0 0 GPRESSURE: 488300 0 0 0 0 0 0 0 0 0 PRESSAVG: 488300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488300 0 0 0 0 0 0 0 0 0 TIMING: 488300 CPU: 1945.38, 0.00397047/step Wall: 1945.38, 0.00397047/step, 0.012904 hours remaining, 109.652344 MB of memory in use. ENERGY: 488300 654.0800 1822.0249 2021.9733 106.2880 -15.3254 -1042.3667 162.9573 0.0000 2735.3735 6445.0050 302.1296 3709.6316 6481.8361 298.1679 LDB: ============= START OF LOAD BALANCING ============== 1948.16 LDB: ============== END OF LOAD BALANCING =============== 1948.16 LDB: =============== DONE WITH MIGRATION ================ 1948.16 PRESSURE: 488400 0 0 0 0 0 0 0 0 0 GPRESSURE: 488400 0 0 0 0 0 0 0 0 0 PRESSAVG: 488400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488400 0 0 0 0 0 0 0 0 0 TIMING: 488400 CPU: 1945.78, 0.00397328/step Wall: 1945.78, 0.00397328/step, 0.0128028 hours remaining, 109.652344 MB of memory in use. ENERGY: 488400 668.5129 1900.0304 2013.1714 101.6854 -16.4400 -1025.0723 149.5961 0.0000 2705.8645 6497.3485 298.8703 3791.4840 6530.5939 299.6094 PRESSURE: 488500 0 0 0 0 0 0 0 0 0 GPRESSURE: 488500 0 0 0 0 0 0 0 0 0 PRESSAVG: 488500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488500 0 0 0 0 0 0 0 0 0 TIMING: 488500 CPU: 1946.18, 0.00397861/step Wall: 1946.18, 0.00397861/step, 0.0127094 hours remaining, 109.652344 MB of memory in use. ENERGY: 488500 689.5890 1862.0732 2022.4901 109.7574 -15.4653 -1046.9392 171.9942 0.0000 2676.4213 6469.9209 295.6182 3793.4996 6503.1914 302.3790 PRESSURE: 488600 0 0 0 0 0 0 0 0 0 GPRESSURE: 488600 0 0 0 0 0 0 0 0 0 PRESSAVG: 488600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488600 0 0 0 0 0 0 0 0 0 TIMING: 488600 CPU: 1946.57, 0.00396958/step Wall: 1946.57, 0.00396958/step, 0.0125703 hours remaining, 109.652344 MB of memory in use. ENERGY: 488600 607.4487 1898.5987 1982.6595 107.3863 -14.6285 -1056.1389 169.9590 0.0000 2759.3089 6454.5938 304.7734 3695.2848 6491.2432 298.7541 PRESSURE: 488700 0 0 0 0 0 0 0 0 0 GPRESSURE: 488700 0 0 0 0 0 0 0 0 0 PRESSAVG: 488700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488700 0 0 0 0 0 0 0 0 0 TIMING: 488700 CPU: 1946.97, 0.00398153/step Wall: 1946.97, 0.00398153/step, 0.0124976 hours remaining, 109.652344 MB of memory in use. ENERGY: 488700 628.6314 1877.7252 1988.9537 108.4341 -15.6805 -1038.9451 160.5647 0.0000 2719.1279 6428.8114 300.3353 3709.6834 6459.3109 297.8839 PRESSURE: 488800 0 0 0 0 0 0 0 0 0 GPRESSURE: 488800 0 0 0 0 0 0 0 0 0 PRESSAVG: 488800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488800 0 0 0 0 0 0 0 0 0 TIMING: 488800 CPU: 1947.37, 0.00397106/step Wall: 1947.37, 0.00397106/step, 0.0123544 hours remaining, 109.652344 MB of memory in use. ENERGY: 488800 638.0873 1892.3695 1999.7353 101.1644 -14.7259 -1062.2514 164.5367 0.0000 2679.9645 6398.8803 296.0095 3718.9158 6430.3714 297.1326 PRESSURE: 488900 0 0 0 0 0 0 0 0 0 GPRESSURE: 488900 0 0 0 0 0 0 0 0 0 PRESSAVG: 488900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 488900 0 0 0 0 0 0 0 0 0 TIMING: 488900 CPU: 1947.76, 0.00396956/step Wall: 1947.76, 0.00396956/step, 0.0122395 hours remaining, 109.652344 MB of memory in use. ENERGY: 488900 670.5992 1867.4805 2004.3855 99.1488 -15.4013 -1017.3198 158.9576 0.0000 2660.5926 6428.4429 293.8699 3767.8503 6459.9779 296.8096 PRESSURE: 489000 0 0 0 0 0 0 0 0 0 GPRESSURE: 489000 0 0 0 0 0 0 0 0 0 PRESSAVG: 489000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489000 0 0 0 0 0 0 0 0 0 TIMING: 489000 CPU: 1948.16, 0.00398241/step Wall: 1948.16, 0.00398241/step, 0.0121685 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 489000 671.3298 1870.7089 1993.0359 107.6999 -14.1282 -1042.2838 169.0863 0.0000 2674.8043 6430.2531 295.4396 3755.4489 6463.1506 298.6733 PRESSURE: 489100 0 0 0 0 0 0 0 0 0 GPRESSURE: 489100 0 0 0 0 0 0 0 0 0 PRESSAVG: 489100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489100 0 0 0 0 0 0 0 0 0 TIMING: 489100 CPU: 1948.56, 0.00397251/step Wall: 1948.56, 0.00397251/step, 0.0120279 hours remaining, 109.652344 MB of memory in use. ENERGY: 489100 620.7686 1861.9748 1994.2488 105.1822 -14.2832 -1038.1472 167.0990 0.0000 2704.1570 6401.0001 298.6817 3696.8431 6432.1999 294.5342 PRESSURE: 489200 0 0 0 0 0 0 0 0 0 GPRESSURE: 489200 0 0 0 0 0 0 0 0 0 PRESSAVG: 489200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489200 0 0 0 0 0 0 0 0 0 TIMING: 489200 CPU: 1948.96, 0.00398065/step Wall: 1948.96, 0.00398065/step, 0.0119419 hours remaining, 109.652344 MB of memory in use. ENERGY: 489200 652.4229 1855.0306 2020.9667 106.7272 -14.8721 -1054.8102 149.9943 0.0000 2703.5563 6419.0158 298.6153 3715.4595 6452.1543 296.3573 PRESSURE: 489300 0 0 0 0 0 0 0 0 0 GPRESSURE: 489300 0 0 0 0 0 0 0 0 0 PRESSAVG: 489300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489300 0 0 0 0 0 0 0 0 0 TIMING: 489300 CPU: 1949.36, 0.0039703/step Wall: 1949.36, 0.0039703/step, 0.0118006 hours remaining, 109.652344 MB of memory in use. ENERGY: 489300 665.1574 1876.7674 2004.0646 113.5466 -14.4699 -1052.3920 169.4612 0.0000 2659.7435 6421.8787 293.7761 3762.1352 6454.8748 298.1815 PRESSURE: 489400 0 0 0 0 0 0 0 0 0 GPRESSURE: 489400 0 0 0 0 0 0 0 0 0 PRESSAVG: 489400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489400 0 0 0 0 0 0 0 0 0 TIMING: 489400 CPU: 1949.75, 0.00396811/step Wall: 1949.75, 0.0039681/step, 0.0116839 hours remaining, 109.652344 MB of memory in use. ENERGY: 489400 692.2671 1833.2814 2007.6768 97.2216 -15.9434 -1054.6953 167.8326 0.0000 2660.9072 6388.5478 293.9046 3727.6407 6423.9936 296.2275 PRESSURE: 489500 0 0 0 0 0 0 0 0 0 GPRESSURE: 489500 0 0 0 0 0 0 0 0 0 PRESSAVG: 489500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489500 0 0 0 0 0 0 0 0 0 TIMING: 489500 CPU: 1950.15, 0.00397928/step Wall: 1950.15, 0.00397929/step, 0.0116063 hours remaining, 109.652344 MB of memory in use. ENERGY: 489500 650.3436 1862.2313 1997.3356 105.1290 -16.0750 -1040.6030 138.7235 0.0000 2702.2174 6399.3026 298.4674 3697.0851 6435.4617 295.7987 PRESSURE: 489600 0 0 0 0 0 0 0 0 0 GPRESSURE: 489600 0 0 0 0 0 0 0 0 0 PRESSAVG: 489600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489600 0 0 0 0 0 0 0 0 0 TIMING: 489600 CPU: 1950.55, 0.00396852/step Wall: 1950.55, 0.00396852/step, 0.0114646 hours remaining, 109.652344 MB of memory in use. ENERGY: 489600 625.7225 1862.1728 2023.2616 103.7851 -15.2307 -1064.6917 161.2600 0.0000 2695.0584 6391.3380 297.6767 3696.2796 6425.7398 293.9116 PRESSURE: 489700 0 0 0 0 0 0 0 0 0 GPRESSURE: 489700 0 0 0 0 0 0 0 0 0 PRESSAVG: 489700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489700 0 0 0 0 0 0 0 0 0 TIMING: 489700 CPU: 1950.95, 0.00398707/step Wall: 1950.95, 0.00398707/step, 0.0114074 hours remaining, 109.652344 MB of memory in use. ENERGY: 489700 626.0906 1869.2364 2005.5346 94.9330 -15.4687 -1045.4590 146.2942 0.0000 2709.9121 6391.0732 299.3173 3681.1611 6422.5818 295.2724 PRESSURE: 489800 0 0 0 0 0 0 0 0 0 GPRESSURE: 489800 0 0 0 0 0 0 0 0 0 PRESSAVG: 489800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489800 0 0 0 0 0 0 0 0 0 TIMING: 489800 CPU: 1951.34, 0.00396995/step Wall: 1951.34, 0.00396995/step, 0.0112482 hours remaining, 109.652344 MB of memory in use. ENERGY: 489800 638.4992 1869.4128 2019.8868 96.6935 -15.4110 -1033.6024 162.6609 0.0000 2664.1543 6402.2941 294.2633 3738.1398 6436.0987 295.1770 PRESSURE: 489900 0 0 0 0 0 0 0 0 0 GPRESSURE: 489900 0 0 0 0 0 0 0 0 0 PRESSAVG: 489900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 489900 0 0 0 0 0 0 0 0 0 TIMING: 489900 CPU: 1951.74, 0.0039689/step Wall: 1951.74, 0.0039689/step, 0.011135 hours remaining, 109.652344 MB of memory in use. ENERGY: 489900 649.3102 1865.3438 2007.9294 109.9071 -15.0012 -1047.8418 149.0681 0.0000 2694.0828 6412.7983 297.5690 3718.7155 6444.0957 296.1526 PRESSURE: 490000 0 0 0 0 0 0 0 0 0 GPRESSURE: 490000 0 0 0 0 0 0 0 0 0 PRESSAVG: 490000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490000 0 0 0 0 0 0 0 0 0 TIMING: 490000 CPU: 1952.14, 0.00398006/step Wall: 1952.14, 0.00398006/step, 0.0110557 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 490000 665.8233 1884.2086 1996.8380 106.2413 -14.6327 -1050.0796 155.9180 0.0000 2685.9696 6430.2865 296.6728 3744.3169 6462.8669 298.2976 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 490000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 490000 WRITING COORDINATES TO RESTART FILE AT STEP 490000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 490000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 490100 0 0 0 0 0 0 0 0 0 GPRESSURE: 490100 0 0 0 0 0 0 0 0 0 PRESSAVG: 490100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490100 0 0 0 0 0 0 0 0 0 TIMING: 490100 CPU: 1952.62, 0.00484878/step Wall: 1952.62, 0.00484878/step, 0.0133341 hours remaining, 109.652344 MB of memory in use. ENERGY: 490100 663.7298 1856.2630 2008.4939 107.4286 -14.1409 -1067.8785 177.2400 0.0000 2675.0014 6406.1373 295.4614 3731.1359 6440.5185 295.8973 PRESSURE: 490200 0 0 0 0 0 0 0 0 0 GPRESSURE: 490200 0 0 0 0 0 0 0 0 0 PRESSAVG: 490200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490200 0 0 0 0 0 0 0 0 0 TIMING: 490200 CPU: 1953.02, 0.0039777/step Wall: 1953.02, 0.0039777/step, 0.0108282 hours remaining, 109.652344 MB of memory in use. ENERGY: 490200 621.1630 1947.3553 2007.0453 100.6548 -14.8378 -1054.5283 142.7312 0.0000 2691.7530 6441.3365 297.3116 3749.5835 6475.0974 296.3069 PRESSURE: 490300 0 0 0 0 0 0 0 0 0 GPRESSURE: 490300 0 0 0 0 0 0 0 0 0 PRESSAVG: 490300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490300 0 0 0 0 0 0 0 0 0 TIMING: 490300 CPU: 1953.42, 0.00397081/step Wall: 1953.42, 0.00397081/step, 0.0106991 hours remaining, 109.652344 MB of memory in use. ENERGY: 490300 652.4111 1839.8947 1990.0334 103.8580 -15.7798 -1019.6478 144.9267 0.0000 2719.0632 6414.7596 300.3281 3695.6963 6449.7041 296.9800 PRESSURE: 490400 0 0 0 0 0 0 0 0 0 GPRESSURE: 490400 0 0 0 0 0 0 0 0 0 PRESSAVG: 490400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490400 0 0 0 0 0 0 0 0 0 TIMING: 490400 CPU: 1953.81, 0.00397201/step Wall: 1953.81, 0.00397201/step, 0.010592 hours remaining, 109.652344 MB of memory in use. ENERGY: 490400 658.7636 1857.4386 2002.9530 94.5909 -17.2382 -1059.2110 158.2748 0.0000 2699.8907 6395.4625 298.2105 3695.5718 6427.7435 295.4848 PRESSURE: 490500 0 0 0 0 0 0 0 0 0 GPRESSURE: 490500 0 0 0 0 0 0 0 0 0 PRESSAVG: 490500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490500 0 0 0 0 0 0 0 0 0 TIMING: 490500 CPU: 1954.21, 0.0039778/step Wall: 1954.21, 0.0039778/step, 0.010497 hours remaining, 109.652344 MB of memory in use. ENERGY: 490500 649.9000 1856.7896 1996.3140 107.4515 -15.5412 -1038.3337 153.5751 0.0000 2712.5953 6422.7506 299.6137 3710.1553 6456.4515 297.2037 PRESSURE: 490600 0 0 0 0 0 0 0 0 0 GPRESSURE: 490600 0 0 0 0 0 0 0 0 0 PRESSAVG: 490600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490600 0 0 0 0 0 0 0 0 0 TIMING: 490600 CPU: 1954.61, 0.00396913/step Wall: 1954.61, 0.00396913/step, 0.0103638 hours remaining, 109.652344 MB of memory in use. ENERGY: 490600 653.2271 1866.0960 2024.6187 109.9508 -15.6716 -1029.1242 147.6842 0.0000 2700.1627 6456.9436 298.2405 3756.7809 6486.8171 298.1209 PRESSURE: 490700 0 0 0 0 0 0 0 0 0 GPRESSURE: 490700 0 0 0 0 0 0 0 0 0 PRESSAVG: 490700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490700 0 0 0 0 0 0 0 0 0 TIMING: 490700 CPU: 1955.01, 0.00397616/step Wall: 1955.01, 0.00397616/step, 0.0102717 hours remaining, 109.652344 MB of memory in use. ENERGY: 490700 701.8592 1894.7362 2004.3850 104.1560 -15.8135 -1047.9545 169.4167 0.0000 2649.9764 6460.7615 292.6973 3810.7851 6491.3253 299.3189 PRESSURE: 490800 0 0 0 0 0 0 0 0 0 GPRESSURE: 490800 0 0 0 0 0 0 0 0 0 PRESSAVG: 490800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490800 0 0 0 0 0 0 0 0 0 TIMING: 490800 CPU: 1955.4, 0.00397099/step Wall: 1955.4, 0.00397099/step, 0.0101481 hours remaining, 109.652344 MB of memory in use. ENERGY: 490800 652.5591 1876.3187 2032.2032 104.6671 -14.6240 -1042.0548 163.1099 0.0000 2659.8650 6432.0443 293.7895 3772.1793 6462.9113 298.2508 PRESSURE: 490900 0 0 0 0 0 0 0 0 0 GPRESSURE: 490900 0 0 0 0 0 0 0 0 0 PRESSAVG: 490900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 490900 0 0 0 0 0 0 0 0 0 TIMING: 490900 CPU: 1955.8, 0.00396866/step Wall: 1955.8, 0.00396866/step, 0.0100319 hours remaining, 109.652344 MB of memory in use. ENERGY: 490900 619.9235 1943.5505 1998.8796 101.0836 -16.0482 -1036.5139 163.5162 0.0000 2669.9762 6444.3674 294.9063 3774.3912 6479.1428 297.5626 PRESSURE: 491000 0 0 0 0 0 0 0 0 0 GPRESSURE: 491000 0 0 0 0 0 0 0 0 0 PRESSAVG: 491000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491000 0 0 0 0 0 0 0 0 0 TIMING: 491000 CPU: 1956.2, 0.00397526/step Wall: 1956.2, 0.00397526/step, 0.00993815 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 491000 636.2435 1870.9284 2022.5297 104.7565 -15.7603 -1046.2673 155.1719 0.0000 2701.9096 6429.5119 298.4334 3727.6023 6465.2432 298.3518 PRESSURE: 491100 0 0 0 0 0 0 0 0 0 GPRESSURE: 491100 0 0 0 0 0 0 0 0 0 PRESSAVG: 491100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491100 0 0 0 0 0 0 0 0 0 TIMING: 491100 CPU: 1956.6, 0.00396991/step Wall: 1956.6, 0.0039699/step, 0.00981448 hours remaining, 109.652344 MB of memory in use. ENERGY: 491100 647.5835 1880.0882 2008.2541 98.8683 -13.8275 -1068.9470 157.1943 0.0000 2706.3537 6415.5677 298.9243 3709.2140 6448.6279 297.0517 PRESSURE: 491200 0 0 0 0 0 0 0 0 0 GPRESSURE: 491200 0 0 0 0 0 0 0 0 0 PRESSAVG: 491200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491200 0 0 0 0 0 0 0 0 0 TIMING: 491200 CPU: 1956.99, 0.00397495/step Wall: 1956.99, 0.00397496/step, 0.00971657 hours remaining, 109.652344 MB of memory in use. ENERGY: 491200 665.4573 1834.6900 2012.7843 102.4018 -14.4025 -1054.5623 157.1253 0.0000 2714.4634 6417.9572 299.8200 3703.4938 6450.6236 296.2099 PRESSURE: 491300 0 0 0 0 0 0 0 0 0 GPRESSURE: 491300 0 0 0 0 0 0 0 0 0 PRESSAVG: 491300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491300 0 0 0 0 0 0 0 0 0 TIMING: 491300 CPU: 1957.39, 0.00397129/step Wall: 1957.39, 0.00397129/step, 0.00959729 hours remaining, 109.652344 MB of memory in use. ENERGY: 491300 658.5776 1913.0283 2018.8139 106.6915 -13.5832 -1063.2854 181.8832 0.0000 2665.0276 6467.1535 294.3597 3802.1259 6498.7942 297.6640 PRESSURE: 491400 0 0 0 0 0 0 0 0 0 GPRESSURE: 491400 0 0 0 0 0 0 0 0 0 PRESSAVG: 491400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491400 0 0 0 0 0 0 0 0 0 TIMING: 491400 CPU: 1957.79, 0.00396827/step Wall: 1957.79, 0.00396827/step, 0.00947976 hours remaining, 109.652344 MB of memory in use. ENERGY: 491400 655.2382 1844.8120 2015.3608 99.8870 -14.4066 -1084.8508 151.2517 0.0000 2757.9542 6425.2465 304.6237 3667.2923 6461.8152 299.0238 PRESSURE: 491500 0 0 0 0 0 0 0 0 0 GPRESSURE: 491500 0 0 0 0 0 0 0 0 0 PRESSAVG: 491500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491500 0 0 0 0 0 0 0 0 0 TIMING: 491500 CPU: 1958.18, 0.00398032/step Wall: 1958.18, 0.00398032/step, 0.00939798 hours remaining, 109.652344 MB of memory in use. ENERGY: 491500 661.1192 1846.3061 2013.7245 105.4530 -15.5359 -1014.9932 145.4771 0.0000 2627.7056 6369.2564 290.2374 3741.5508 6400.7008 296.0505 PRESSURE: 491600 0 0 0 0 0 0 0 0 0 GPRESSURE: 491600 0 0 0 0 0 0 0 0 0 PRESSAVG: 491600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491600 0 0 0 0 0 0 0 0 0 TIMING: 491600 CPU: 1958.58, 0.00397053/step Wall: 1958.58, 0.00397053/step, 0.00926457 hours remaining, 109.652344 MB of memory in use. ENERGY: 491600 644.8186 1873.5182 2001.1084 106.5192 -15.4900 -1042.1075 143.4336 0.0000 2666.7135 6378.5140 294.5459 3711.8004 6409.4020 295.0926 PRESSURE: 491700 0 0 0 0 0 0 0 0 0 GPRESSURE: 491700 0 0 0 0 0 0 0 0 0 PRESSAVG: 491700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491700 0 0 0 0 0 0 0 0 0 TIMING: 491700 CPU: 1958.98, 0.00397538/step Wall: 1958.98, 0.00397538/step, 0.00916546 hours remaining, 109.652344 MB of memory in use. ENERGY: 491700 676.9413 1873.4881 1996.8263 106.8942 -15.2949 -1025.9802 171.6381 0.0000 2619.3344 6403.8473 289.3128 3784.5129 6431.5488 295.0923 PRESSURE: 491800 0 0 0 0 0 0 0 0 0 GPRESSURE: 491800 0 0 0 0 0 0 0 0 0 PRESSAVG: 491800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491800 0 0 0 0 0 0 0 0 0 TIMING: 491800 CPU: 1959.38, 0.00397192/step Wall: 1959.38, 0.00397192/step, 0.00904715 hours remaining, 109.652344 MB of memory in use. ENERGY: 491800 659.8997 1858.8478 2003.9774 106.8916 -14.8791 -1028.9885 145.5867 0.0000 2660.5049 6391.8406 293.8602 3731.3356 6424.3136 295.3772 PRESSURE: 491900 0 0 0 0 0 0 0 0 0 GPRESSURE: 491900 0 0 0 0 0 0 0 0 0 PRESSAVG: 491900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 491900 0 0 0 0 0 0 0 0 0 TIMING: 491900 CPU: 1959.77, 0.00396853/step Wall: 1959.77, 0.00396853/step, 0.0089292 hours remaining, 109.652344 MB of memory in use. ENERGY: 491900 665.0248 1853.6015 1981.5286 100.3089 -14.6319 -1083.8033 155.2413 0.0000 2790.0159 6447.2858 308.1650 3657.2699 6483.9233 295.2859 PRESSURE: 492000 0 0 0 0 0 0 0 0 0 GPRESSURE: 492000 0 0 0 0 0 0 0 0 0 PRESSAVG: 492000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492000 0 0 0 0 0 0 0 0 0 TIMING: 492000 CPU: 1960.17, 0.00397659/step Wall: 1960.17, 0.00397659/step, 0.00883686 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 492000 669.6459 1929.5874 1988.8461 97.4664 -15.0802 -1028.7627 150.2188 0.0000 2679.5135 6471.4352 295.9597 3791.9216 6502.2823 299.7941 PRESSURE: 492100 0 0 0 0 0 0 0 0 0 GPRESSURE: 492100 0 0 0 0 0 0 0 0 0 PRESSAVG: 492100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492100 0 0 0 0 0 0 0 0 0 TIMING: 492100 CPU: 1960.57, 0.00397181/step Wall: 1960.57, 0.00397181/step, 0.00871592 hours remaining, 109.652344 MB of memory in use. ENERGY: 492100 667.6722 1911.6010 1965.4747 110.3601 -14.2915 -1024.8097 147.4075 0.0000 2727.0035 6490.4179 301.2051 3763.4144 6525.7843 299.5477 PRESSURE: 492200 0 0 0 0 0 0 0 0 0 GPRESSURE: 492200 0 0 0 0 0 0 0 0 0 PRESSAVG: 492200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492200 0 0 0 0 0 0 0 0 0 TIMING: 492200 CPU: 1960.97, 0.00398112/step Wall: 1960.97, 0.00398112/step, 0.00862576 hours remaining, 109.652344 MB of memory in use. ENERGY: 492200 667.9188 1884.8541 1995.1372 94.5158 -14.7156 -1002.5283 147.0703 0.0000 2711.0461 6483.2985 299.4426 3772.2524 6515.6731 301.2397 LDB: ============= START OF LOAD BALANCING ============== 1963.74 LDB: ============== END OF LOAD BALANCING =============== 1963.74 LDB: =============== DONE WITH MIGRATION ================ 1963.74 PRESSURE: 492300 0 0 0 0 0 0 0 0 0 GPRESSURE: 492300 0 0 0 0 0 0 0 0 0 PRESSAVG: 492300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492300 0 0 0 0 0 0 0 0 0 TIMING: 492300 CPU: 1961.36, 0.00397311/step Wall: 1961.36, 0.00397311/step, 0.00849804 hours remaining, 109.652344 MB of memory in use. ENERGY: 492300 653.8256 1864.4051 2026.7624 103.5578 -14.1070 -1061.0221 161.2088 0.0000 2744.0592 6478.6900 303.0890 3734.6308 6513.0731 300.4256 LDB: ============= START OF LOAD BALANCING ============== 1964.14 LDB: ============== END OF LOAD BALANCING =============== 1964.14 LDB: =============== DONE WITH MIGRATION ================ 1964.14 PRESSURE: 492400 0 0 0 0 0 0 0 0 0 GPRESSURE: 492400 0 0 0 0 0 0 0 0 0 PRESSAVG: 492400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492400 0 0 0 0 0 0 0 0 0 TIMING: 492400 CPU: 1961.76, 0.00397701/step Wall: 1961.76, 0.00397701/step, 0.00839591 hours remaining, 109.652344 MB of memory in use. ENERGY: 492400 667.2589 1872.3243 2021.6822 103.5509 -14.0110 -1025.3364 154.0933 0.0000 2711.4328 6490.9949 299.4853 3779.5621 6522.4720 300.9372 PRESSURE: 492500 0 0 0 0 0 0 0 0 0 GPRESSURE: 492500 0 0 0 0 0 0 0 0 0 PRESSAVG: 492500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492500 0 0 0 0 0 0 0 0 0 TIMING: 492500 CPU: 1962.16, 0.00397699/step Wall: 1962.16, 0.00397699/step, 0.00828539 hours remaining, 109.652344 MB of memory in use. ENERGY: 492500 670.4357 1899.9929 1988.2865 103.5554 -12.7052 -1077.6889 163.3214 0.0000 2715.9775 6451.1754 299.9873 3735.1979 6485.4077 299.5254 PRESSURE: 492600 0 0 0 0 0 0 0 0 0 GPRESSURE: 492600 0 0 0 0 0 0 0 0 0 PRESSAVG: 492600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492600 0 0 0 0 0 0 0 0 0 TIMING: 492600 CPU: 1962.56, 0.00396906/step Wall: 1962.56, 0.00396906/step, 0.00815863 hours remaining, 109.652344 MB of memory in use. ENERGY: 492600 642.9476 1903.9151 2026.6864 106.3866 -14.3004 -1074.6678 158.2892 0.0000 2704.5352 6453.7919 298.7234 3749.2567 6484.0315 297.8524 PRESSURE: 492700 0 0 0 0 0 0 0 0 0 GPRESSURE: 492700 0 0 0 0 0 0 0 0 0 PRESSAVG: 492700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492700 0 0 0 0 0 0 0 0 0 TIMING: 492700 CPU: 1962.95, 0.00397818/step Wall: 1962.95, 0.00397818/step, 0.00806686 hours remaining, 109.652344 MB of memory in use. ENERGY: 492700 667.5614 1866.4969 2034.2245 112.3044 -14.8116 -1072.2619 172.5248 0.0000 2672.3212 6438.3598 295.1653 3766.0386 6472.9642 299.7161 PRESSURE: 492800 0 0 0 0 0 0 0 0 0 GPRESSURE: 492800 0 0 0 0 0 0 0 0 0 PRESSAVG: 492800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492800 0 0 0 0 0 0 0 0 0 TIMING: 492800 CPU: 1963.35, 0.00397112/step Wall: 1963.35, 0.00397112/step, 0.00794224 hours remaining, 109.652344 MB of memory in use. ENERGY: 492800 661.2288 1893.4089 2011.6042 101.5158 -14.9393 -1056.5051 153.2957 0.0000 2703.0765 6452.6855 298.5623 3749.6090 6486.5008 297.4974 PRESSURE: 492900 0 0 0 0 0 0 0 0 0 GPRESSURE: 492900 0 0 0 0 0 0 0 0 0 PRESSAVG: 492900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 492900 0 0 0 0 0 0 0 0 0 TIMING: 492900 CPU: 1963.75, 0.00396758/step Wall: 1963.75, 0.00396758/step, 0.00782495 hours remaining, 109.652344 MB of memory in use. ENERGY: 492900 681.0778 1908.8382 2014.2515 98.5812 -14.5391 -1061.6304 170.4465 0.0000 2649.0708 6446.0965 292.5972 3797.0257 6475.5250 298.0097 PRESSURE: 493000 0 0 0 0 0 0 0 0 0 GPRESSURE: 493000 0 0 0 0 0 0 0 0 0 PRESSAVG: 493000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493000 0 0 0 0 0 0 0 0 0 TIMING: 493000 CPU: 1964.15, 0.00397628/step Wall: 1964.15, 0.00397628/step, 0.00773165 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 493000 668.4477 1900.6176 2006.7353 99.6794 -14.9395 -1039.0612 162.9834 0.0000 2700.7137 6485.1765 298.3014 3784.4628 6518.2763 299.8626 PRESSURE: 493100 0 0 0 0 0 0 0 0 0 GPRESSURE: 493100 0 0 0 0 0 0 0 0 0 PRESSAVG: 493100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493100 0 0 0 0 0 0 0 0 0 TIMING: 493100 CPU: 1964.54, 0.0039712/step Wall: 1964.54, 0.0039712/step, 0.00761147 hours remaining, 109.652344 MB of memory in use. ENERGY: 493100 661.1219 1887.0500 2007.5784 105.2832 -14.4296 -1008.0784 160.5857 0.0000 2697.4119 6496.5230 297.9367 3799.1111 6528.8023 301.8377 PRESSURE: 493200 0 0 0 0 0 0 0 0 0 GPRESSURE: 493200 0 0 0 0 0 0 0 0 0 PRESSAVG: 493200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493200 0 0 0 0 0 0 0 0 0 TIMING: 493200 CPU: 1964.94, 0.0039765/step Wall: 1964.94, 0.0039765/step, 0.00751117 hours remaining, 109.652344 MB of memory in use. ENERGY: 493200 668.4406 1931.4840 2025.6821 97.6695 -14.1076 -1058.4186 157.9298 0.0000 2675.2674 6483.9473 295.4907 3808.6798 6513.3227 301.8775 PRESSURE: 493300 0 0 0 0 0 0 0 0 0 GPRESSURE: 493300 0 0 0 0 0 0 0 0 0 PRESSAVG: 493300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493300 0 0 0 0 0 0 0 0 0 TIMING: 493300 CPU: 1965.34, 0.00397141/step Wall: 1965.34, 0.00397141/step, 0.00739123 hours remaining, 109.652344 MB of memory in use. ENERGY: 493300 643.9968 1828.5042 1998.5775 98.6068 -14.7460 -1008.8247 148.0526 0.0000 2770.0877 6464.2549 305.9639 3694.1673 6498.1678 300.8789 PRESSURE: 493400 0 0 0 0 0 0 0 0 0 GPRESSURE: 493400 0 0 0 0 0 0 0 0 0 PRESSAVG: 493400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493400 0 0 0 0 0 0 0 0 0 TIMING: 493400 CPU: 1965.73, 0.00396768/step Wall: 1965.73, 0.00396768/step, 0.00727408 hours remaining, 109.652344 MB of memory in use. ENERGY: 493400 656.5355 1894.4294 1999.2253 112.5889 -15.1756 -1050.3703 154.0319 0.0000 2698.8294 6450.0946 298.0932 3751.2652 6484.2779 299.1496 PRESSURE: 493500 0 0 0 0 0 0 0 0 0 GPRESSURE: 493500 0 0 0 0 0 0 0 0 0 PRESSAVG: 493500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493500 0 0 0 0 0 0 0 0 0 TIMING: 493500 CPU: 1966.13, 0.00397832/step Wall: 1966.13, 0.00397832/step, 0.00718308 hours remaining, 109.652344 MB of memory in use. ENERGY: 493500 687.3441 1923.2755 1990.5672 111.0117 -15.6674 -1038.5505 168.2372 0.0000 2663.0853 6489.3031 294.1452 3826.2178 6520.2322 300.5638 PRESSURE: 493600 0 0 0 0 0 0 0 0 0 GPRESSURE: 493600 0 0 0 0 0 0 0 0 0 PRESSAVG: 493600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493600 0 0 0 0 0 0 0 0 0 TIMING: 493600 CPU: 1966.53, 0.00397052/step Wall: 1966.53, 0.00397052/step, 0.0070587 hours remaining, 109.652344 MB of memory in use. ENERGY: 493600 661.3139 1884.3214 2010.3736 110.4968 -14.3835 -1018.7409 166.4741 0.0000 2710.3136 6510.1690 299.3617 3799.8554 6541.7699 301.1539 PRESSURE: 493700 0 0 0 0 0 0 0 0 0 GPRESSURE: 493700 0 0 0 0 0 0 0 0 0 PRESSAVG: 493700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493700 0 0 0 0 0 0 0 0 0 TIMING: 493700 CPU: 1966.93, 0.00397508/step Wall: 1966.93, 0.00397508/step, 0.00695639 hours remaining, 109.652344 MB of memory in use. ENERGY: 493700 624.4748 1853.4226 2012.1841 112.1526 -14.6078 -1050.6565 159.3683 0.0000 2793.8336 6490.1719 308.5867 3696.3383 6528.8168 301.4069 PRESSURE: 493800 0 0 0 0 0 0 0 0 0 GPRESSURE: 493800 0 0 0 0 0 0 0 0 0 PRESSAVG: 493800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493800 0 0 0 0 0 0 0 0 0 TIMING: 493800 CPU: 1967.32, 0.00397135/step Wall: 1967.32, 0.00397135/step, 0.00683954 hours remaining, 109.652344 MB of memory in use. ENERGY: 493800 682.0488 1858.8346 1993.2211 106.6828 -13.6168 -1051.6249 168.8968 0.0000 2752.8511 6497.2933 304.0601 3744.4423 6528.6002 301.4739 PRESSURE: 493900 0 0 0 0 0 0 0 0 0 GPRESSURE: 493900 0 0 0 0 0 0 0 0 0 PRESSAVG: 493900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 493900 0 0 0 0 0 0 0 0 0 TIMING: 493900 CPU: 1967.72, 0.00397067/step Wall: 1967.72, 0.00397067/step, 0.00672808 hours remaining, 109.652344 MB of memory in use. ENERGY: 493900 682.5282 1860.3993 2024.7627 114.0298 -14.8081 -1064.2853 150.8567 0.0000 2716.3916 6469.8748 300.0330 3753.4833 6504.5720 300.9625 PRESSURE: 494000 0 0 0 0 0 0 0 0 0 GPRESSURE: 494000 0 0 0 0 0 0 0 0 0 PRESSAVG: 494000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494000 0 0 0 0 0 0 0 0 0 TIMING: 494000 CPU: 1968.12, 0.00397679/step Wall: 1968.12, 0.00397679/step, 0.00662798 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 494000 700.8952 1913.6810 1999.5584 95.5109 -15.5929 -1055.3338 149.6506 0.0000 2685.1683 6473.5376 296.5843 3788.3693 6505.1367 299.8525 PRESSURE: 494100 0 0 0 0 0 0 0 0 0 GPRESSURE: 494100 0 0 0 0 0 0 0 0 0 PRESSAVG: 494100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494100 0 0 0 0 0 0 0 0 0 TIMING: 494100 CPU: 1968.51, 0.00396833/step Wall: 1968.51, 0.00396833/step, 0.00650365 hours remaining, 109.652344 MB of memory in use. ENERGY: 494100 639.3377 1913.7022 1982.7941 109.5622 -15.8293 -1036.5986 166.3011 0.0000 2734.0431 6493.3125 301.9827 3759.2694 6525.7848 301.2880 PRESSURE: 494200 0 0 0 0 0 0 0 0 0 GPRESSURE: 494200 0 0 0 0 0 0 0 0 0 PRESSAVG: 494200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494200 0 0 0 0 0 0 0 0 0 TIMING: 494200 CPU: 1968.91, 0.00397863/step Wall: 1968.91, 0.00397863/step, 0.00641001 hours remaining, 109.652344 MB of memory in use. ENERGY: 494200 668.0591 1873.2407 1998.0102 101.5204 -14.4274 -1006.2453 156.5793 0.0000 2699.3793 6476.1163 298.1540 3776.7371 6508.3337 300.9254 PRESSURE: 494300 0 0 0 0 0 0 0 0 0 GPRESSURE: 494300 0 0 0 0 0 0 0 0 0 PRESSAVG: 494300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494300 0 0 0 0 0 0 0 0 0 TIMING: 494300 CPU: 1969.31, 0.00396955/step Wall: 1969.31, 0.00396955/step, 0.00628512 hours remaining, 109.652344 MB of memory in use. ENERGY: 494300 690.5715 1916.3143 2008.4305 116.2186 -14.5343 -1078.0341 171.8135 0.0000 2669.9904 6480.7703 294.9079 3810.7800 6513.9689 299.9713 PRESSURE: 494400 0 0 0 0 0 0 0 0 0 GPRESSURE: 494400 0 0 0 0 0 0 0 0 0 PRESSAVG: 494400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494400 0 0 0 0 0 0 0 0 0 TIMING: 494400 CPU: 1969.71, 0.00397175/step Wall: 1969.71, 0.00397175/step, 0.00617828 hours remaining, 109.652344 MB of memory in use. ENERGY: 494400 644.2896 1881.8414 1993.9507 120.7020 -15.5007 -1048.7039 150.3863 0.0000 2733.0493 6460.0146 301.8729 3726.9653 6494.1404 301.7372 PRESSURE: 494500 0 0 0 0 0 0 0 0 0 GPRESSURE: 494500 0 0 0 0 0 0 0 0 0 PRESSAVG: 494500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494500 0 0 0 0 0 0 0 0 0 TIMING: 494500 CPU: 1970.1, 0.00397497/step Wall: 1970.1, 0.00397497/step, 0.00607287 hours remaining, 109.652344 MB of memory in use. ENERGY: 494500 638.9963 1833.6013 1997.6655 101.2470 -15.3237 -1047.4389 163.1924 0.0000 2749.5651 6421.5050 303.6971 3671.9399 6454.8931 299.1673 PRESSURE: 494600 0 0 0 0 0 0 0 0 0 GPRESSURE: 494600 0 0 0 0 0 0 0 0 0 PRESSAVG: 494600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494600 0 0 0 0 0 0 0 0 0 TIMING: 494600 CPU: 1970.5, 0.0039734/step Wall: 1970.5, 0.0039734/step, 0.0059601 hours remaining, 109.652344 MB of memory in use. ENERGY: 494600 629.0622 1900.6829 1986.7456 104.6230 -14.6128 -1009.3636 162.2693 0.0000 2732.1776 6491.5841 301.7766 3759.4065 6521.5598 299.0528 PRESSURE: 494700 0 0 0 0 0 0 0 0 0 GPRESSURE: 494700 0 0 0 0 0 0 0 0 0 PRESSAVG: 494700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494700 0 0 0 0 0 0 0 0 0 TIMING: 494700 CPU: 1970.9, 0.00397678/step Wall: 1970.9, 0.00397678/step, 0.0058547 hours remaining, 109.652344 MB of memory in use. ENERGY: 494700 657.4186 1863.0749 1997.7817 108.7266 -16.3893 -1014.4915 145.2690 0.0000 2729.1076 6470.4978 301.4375 3741.3901 6505.0895 300.7776 PRESSURE: 494800 0 0 0 0 0 0 0 0 0 GPRESSURE: 494800 0 0 0 0 0 0 0 0 0 PRESSAVG: 494800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494800 0 0 0 0 0 0 0 0 0 TIMING: 494800 CPU: 1971.3, 0.00397248/step Wall: 1971.3, 0.00397248/step, 0.00573803 hours remaining, 109.652344 MB of memory in use. ENERGY: 494800 688.2959 1906.3725 1994.7291 104.2009 -14.7459 -1058.8103 173.1752 0.0000 2673.3127 6466.5302 295.2748 3793.2175 6498.8505 300.5442 PRESSURE: 494900 0 0 0 0 0 0 0 0 0 GPRESSURE: 494900 0 0 0 0 0 0 0 0 0 PRESSAVG: 494900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 494900 0 0 0 0 0 0 0 0 0 TIMING: 494900 CPU: 1971.69, 0.00397066/step Wall: 1971.69, 0.00397066/step, 0.0056251 hours remaining, 109.652344 MB of memory in use. ENERGY: 494900 642.1930 1852.5439 2012.7968 105.5166 -14.8894 -1030.4027 167.0315 0.0000 2740.0311 6474.8209 302.6441 3734.7897 6507.5156 299.4501 PRESSURE: 495000 0 0 0 0 0 0 0 0 0 GPRESSURE: 495000 0 0 0 0 0 0 0 0 0 PRESSAVG: 495000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495000 0 0 0 0 0 0 0 0 0 TIMING: 495000 CPU: 1972.09, 0.00397868/step Wall: 1972.09, 0.00397868/step, 0.00552594 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 495000 669.0018 1929.1148 2010.7578 101.1530 -15.1403 -1068.3478 174.2197 0.0000 2685.0180 6485.7770 296.5677 3800.7590 6519.9269 300.2733 PRESSURE: 495100 0 0 0 0 0 0 0 0 0 GPRESSURE: 495100 0 0 0 0 0 0 0 0 0 PRESSAVG: 495100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495100 0 0 0 0 0 0 0 0 0 TIMING: 495100 CPU: 1972.49, 0.00397064/step Wall: 1972.49, 0.00397064/step, 0.00540448 hours remaining, 109.652344 MB of memory in use. ENERGY: 495100 661.2265 1883.7335 2006.1782 120.8525 -15.4268 -1053.8205 166.0447 0.0000 2705.9980 6474.7861 298.8850 3768.7881 6508.8618 301.0010 PRESSURE: 495200 0 0 0 0 0 0 0 0 0 GPRESSURE: 495200 0 0 0 0 0 0 0 0 0 PRESSAVG: 495200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495200 0 0 0 0 0 0 0 0 0 TIMING: 495200 CPU: 1972.89, 0.00397661/step Wall: 1972.89, 0.00397661/step, 0.00530215 hours remaining, 109.652344 MB of memory in use. ENERGY: 495200 669.3172 1910.4653 2007.7919 95.2746 -15.6662 -1026.6337 151.1855 0.0000 2695.0340 6486.7686 297.6740 3791.7346 6518.3037 300.3700 PRESSURE: 495300 0 0 0 0 0 0 0 0 0 GPRESSURE: 495300 0 0 0 0 0 0 0 0 0 PRESSAVG: 495300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495300 0 0 0 0 0 0 0 0 0 TIMING: 495300 CPU: 1973.28, 0.00396981/step Wall: 1973.28, 0.00396981/step, 0.00518281 hours remaining, 109.652344 MB of memory in use. ENERGY: 495300 675.7065 1844.5075 1988.2300 104.5723 -16.2183 -1023.8093 161.6581 0.0000 2746.4813 6481.1279 303.3565 3734.6466 6515.4276 301.5197 PRESSURE: 495400 0 0 0 0 0 0 0 0 0 GPRESSURE: 495400 0 0 0 0 0 0 0 0 0 PRESSAVG: 495400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495400 0 0 0 0 0 0 0 0 0 TIMING: 495400 CPU: 1973.68, 0.00397014/step Wall: 1973.68, 0.00397014/step, 0.00507296 hours remaining, 109.652344 MB of memory in use. ENERGY: 495400 656.3430 1946.2934 1980.4819 100.7013 -14.3267 -1062.3671 163.8897 0.0000 2711.5866 6482.6022 299.5023 3771.0156 6515.6688 300.3692 PRESSURE: 495500 0 0 0 0 0 0 0 0 0 GPRESSURE: 495500 0 0 0 0 0 0 0 0 0 PRESSAVG: 495500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495500 0 0 0 0 0 0 0 0 0 TIMING: 495500 CPU: 1974.08, 0.00397907/step Wall: 1974.08, 0.00397907/step, 0.00497384 hours remaining, 109.652344 MB of memory in use. ENERGY: 495500 622.2910 1894.7600 2020.9868 104.2420 -14.2026 -1035.9304 151.8212 0.0000 2778.4814 6522.4494 306.8910 3743.9680 6554.5190 301.9420 PRESSURE: 495600 0 0 0 0 0 0 0 0 0 GPRESSURE: 495600 0 0 0 0 0 0 0 0 0 PRESSAVG: 495600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495600 0 0 0 0 0 0 0 0 0 TIMING: 495600 CPU: 1974.48, 0.00397191/step Wall: 1974.48, 0.00397191/step, 0.00485456 hours remaining, 109.652344 MB of memory in use. ENERGY: 495600 659.3374 1941.3947 1987.8931 105.6701 -15.1503 -1041.2299 155.1776 0.0000 2708.1302 6501.2229 299.1205 3793.0928 6537.0841 302.3135 PRESSURE: 495700 0 0 0 0 0 0 0 0 0 GPRESSURE: 495700 0 0 0 0 0 0 0 0 0 PRESSAVG: 495700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495700 0 0 0 0 0 0 0 0 0 TIMING: 495700 CPU: 1974.87, 0.00397106/step Wall: 1974.87, 0.00397106/step, 0.00474321 hours remaining, 109.652344 MB of memory in use. ENERGY: 495700 638.5246 1900.7448 2011.8905 108.2197 -14.0084 -1046.1528 157.0323 0.0000 2720.5200 6476.7707 300.4890 3756.2506 6508.5313 301.5680 PRESSURE: 495800 0 0 0 0 0 0 0 0 0 GPRESSURE: 495800 0 0 0 0 0 0 0 0 0 PRESSAVG: 495800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495800 0 0 0 0 0 0 0 0 0 TIMING: 495800 CPU: 1975.27, 0.00397938/step Wall: 1975.27, 0.00397938/step, 0.00464261 hours remaining, 109.652344 MB of memory in use. ENERGY: 495800 681.0617 1893.7431 1982.2776 99.7458 -14.5842 -1044.4286 149.3435 0.0000 2729.5112 6476.6701 301.4821 3747.1589 6508.5950 300.1949 PRESSURE: 495900 0 0 0 0 0 0 0 0 0 GPRESSURE: 495900 0 0 0 0 0 0 0 0 0 PRESSAVG: 495900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 495900 0 0 0 0 0 0 0 0 0 TIMING: 495900 CPU: 1975.67, 0.00397078/step Wall: 1975.67, 0.00397078/step, 0.00452228 hours remaining, 109.652344 MB of memory in use. ENERGY: 495900 654.8084 1844.9766 2028.0867 92.1466 -14.4731 -991.4865 151.1942 0.0000 2708.8187 6474.0716 299.1966 3765.2529 6510.1052 299.3216 PRESSURE: 496000 0 0 0 0 0 0 0 0 0 GPRESSURE: 496000 0 0 0 0 0 0 0 0 0 PRESSAVG: 496000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496000 0 0 0 0 0 0 0 0 0 TIMING: 496000 CPU: 1976.07, 0.00397806/step Wall: 1976.07, 0.00397806/step, 0.00442007 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 496000 658.7132 1843.9563 2010.3079 109.5907 -15.8107 -1035.6546 152.6667 0.0000 2757.7672 6481.5367 304.6031 3723.7694 6517.3796 299.8716 PRESSURE: 496100 0 0 0 0 0 0 0 0 0 GPRESSURE: 496100 0 0 0 0 0 0 0 0 0 PRESSAVG: 496100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496100 0 0 0 0 0 0 0 0 0 TIMING: 496100 CPU: 1976.46, 0.00397102/step Wall: 1976.46, 0.00397102/step, 0.00430194 hours remaining, 109.652344 MB of memory in use. ENERGY: 496100 622.8683 1843.2687 2032.3585 94.2958 -14.5138 -1033.7947 162.8171 0.0000 2762.2409 6469.5407 305.0972 3707.2999 6506.1076 299.8279 PRESSURE: 496200 0 0 0 0 0 0 0 0 0 GPRESSURE: 496200 0 0 0 0 0 0 0 0 0 PRESSAVG: 496200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496200 0 0 0 0 0 0 0 0 0 TIMING: 496200 CPU: 1976.86, 0.00397185/step Wall: 1976.86, 0.00397185/step, 0.00419251 hours remaining, 109.652344 MB of memory in use. ENERGY: 496200 635.5750 1842.5892 2010.7808 112.5547 -14.9212 -1048.2331 166.6224 0.0000 2724.3991 6429.3670 300.9175 3704.9678 6463.1988 299.3515 LDB: ============= START OF LOAD BALANCING ============== 1979.64 LDB: ============== END OF LOAD BALANCING =============== 1979.64 LDB: =============== DONE WITH MIGRATION ================ 1979.64 PRESSURE: 496300 0 0 0 0 0 0 0 0 0 GPRESSURE: 496300 0 0 0 0 0 0 0 0 0 PRESSAVG: 496300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496300 0 0 0 0 0 0 0 0 0 TIMING: 496300 CPU: 1977.26, 0.00397931/step Wall: 1977.26, 0.00397931/step, 0.00408985 hours remaining, 109.652344 MB of memory in use. ENERGY: 496300 640.7679 1841.2430 2012.9805 99.7802 -15.4752 -1058.2504 159.6327 0.0000 2725.6176 6406.2961 301.0521 3680.6786 6440.8987 296.1401 LDB: ============= START OF LOAD BALANCING ============== 1980.03 LDB: ============== END OF LOAD BALANCING =============== 1980.03 LDB: =============== DONE WITH MIGRATION ================ 1980.03 PRESSURE: 496400 0 0 0 0 0 0 0 0 0 GPRESSURE: 496400 0 0 0 0 0 0 0 0 0 PRESSAVG: 496400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496400 0 0 0 0 0 0 0 0 0 TIMING: 496400 CPU: 1977.66, 0.00397853/step Wall: 1977.66, 0.00397853/step, 0.00397853 hours remaining, 109.652344 MB of memory in use. ENERGY: 496400 654.6140 1859.9439 2044.2584 117.4762 -15.6456 -1040.8110 161.8798 0.0000 2691.6295 6473.3452 297.2980 3781.7157 6508.5702 298.9650 PRESSURE: 496500 0 0 0 0 0 0 0 0 0 GPRESSURE: 496500 0 0 0 0 0 0 0 0 0 PRESSAVG: 496500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496500 0 0 0 0 0 0 0 0 0 TIMING: 496500 CPU: 1978.05, 0.00397548/step Wall: 1978.05, 0.00397548/step, 0.00386505 hours remaining, 109.652344 MB of memory in use. ENERGY: 496500 651.3116 1870.4969 2032.1700 104.0079 -14.1391 -1057.9316 169.2847 0.0000 2704.9964 6460.1968 298.7744 3755.2004 6494.7584 300.6492 PRESSURE: 496600 0 0 0 0 0 0 0 0 0 GPRESSURE: 496600 0 0 0 0 0 0 0 0 0 PRESSAVG: 496600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496600 0 0 0 0 0 0 0 0 0 TIMING: 496600 CPU: 1978.45, 0.00397091/step Wall: 1978.45, 0.00397091/step, 0.00375031 hours remaining, 109.652344 MB of memory in use. ENERGY: 496600 648.2070 1845.1348 2027.8033 114.4761 -14.9696 -1020.1663 152.6529 0.0000 2716.9193 6470.0574 300.0913 3753.1381 6502.9409 299.8442 PRESSURE: 496700 0 0 0 0 0 0 0 0 0 GPRESSURE: 496700 0 0 0 0 0 0 0 0 0 PRESSAVG: 496700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496700 0 0 0 0 0 0 0 0 0 TIMING: 496700 CPU: 1978.85, 0.00396861/step Wall: 1978.85, 0.00396861/step, 0.00363789 hours remaining, 109.652344 MB of memory in use. ENERGY: 496700 628.1401 1925.8929 2020.3943 106.0493 -15.6956 -1063.5714 156.3594 0.0000 2677.0762 6434.6452 295.6905 3757.5690 6467.3375 298.3191 PRESSURE: 496800 0 0 0 0 0 0 0 0 0 GPRESSURE: 496800 0 0 0 0 0 0 0 0 0 PRESSAVG: 496800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496800 0 0 0 0 0 0 0 0 0 TIMING: 496800 CPU: 1979.24, 0.00397792/step Wall: 1979.24, 0.00397792/step, 0.00353593 hours remaining, 109.652344 MB of memory in use. ENERGY: 496800 647.5085 1872.1253 2002.7755 96.9384 -14.8766 -1040.5631 174.4691 0.0000 2738.1501 6476.5273 302.4363 3738.3772 6513.8163 299.5382 PRESSURE: 496900 0 0 0 0 0 0 0 0 0 GPRESSURE: 496900 0 0 0 0 0 0 0 0 0 PRESSAVG: 496900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 496900 0 0 0 0 0 0 0 0 0 TIMING: 496900 CPU: 1979.64, 0.00397101/step Wall: 1979.64, 0.00397101/step, 0.00341948 hours remaining, 109.652344 MB of memory in use. ENERGY: 496900 651.1397 1911.1186 1990.1785 105.9342 -15.6218 -1029.8374 165.2272 0.0000 2712.7123 6490.8512 299.6266 3778.1389 6521.8218 300.3133 PRESSURE: 497000 0 0 0 0 0 0 0 0 0 GPRESSURE: 497000 0 0 0 0 0 0 0 0 0 PRESSAVG: 497000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497000 0 0 0 0 0 0 0 0 0 TIMING: 497000 CPU: 1980.04, 0.00397705/step Wall: 1980.04, 0.00397705/step, 0.00331421 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 497000 652.2239 1869.1357 2003.1178 102.2741 -15.7471 -1036.9953 156.8222 0.0000 2719.9602 6450.7915 300.4272 3730.8313 6483.5537 299.7135 PRESSURE: 497100 0 0 0 0 0 0 0 0 0 GPRESSURE: 497100 0 0 0 0 0 0 0 0 0 PRESSAVG: 497100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497100 0 0 0 0 0 0 0 0 0 TIMING: 497100 CPU: 1980.44, 0.00397058/step Wall: 1980.44, 0.00397058/step, 0.00319852 hours remaining, 109.652344 MB of memory in use. ENERGY: 497100 631.5638 1841.8609 2003.3488 110.6558 -14.2997 -1032.9156 154.4463 0.0000 2701.7727 6396.4329 298.4183 3694.6603 6433.0824 296.7247 PRESSURE: 497200 0 0 0 0 0 0 0 0 0 GPRESSURE: 497200 0 0 0 0 0 0 0 0 0 PRESSAVG: 497200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497200 0 0 0 0 0 0 0 0 0 TIMING: 497200 CPU: 1980.83, 0.00397007/step Wall: 1980.83, 0.00397007/step, 0.00308783 hours remaining, 109.652344 MB of memory in use. ENERGY: 497200 627.6966 1872.0749 1981.9437 98.8768 -15.2775 -1023.1621 157.5568 0.0000 2718.7542 6418.4634 300.2940 3699.7093 6451.5682 295.9710 PRESSURE: 497300 0 0 0 0 0 0 0 0 0 GPRESSURE: 497300 0 0 0 0 0 0 0 0 0 PRESSAVG: 497300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497300 0 0 0 0 0 0 0 0 0 TIMING: 497300 CPU: 1981.23, 0.00397912/step Wall: 1981.23, 0.00397912/step, 0.00298434 hours remaining, 109.652344 MB of memory in use. ENERGY: 497300 623.7045 1903.1186 2014.9643 100.5059 -14.1317 -1041.6597 163.4840 0.0000 2654.6754 6404.6614 293.2163 3749.9860 6437.9311 296.2616 PRESSURE: 497400 0 0 0 0 0 0 0 0 0 GPRESSURE: 497400 0 0 0 0 0 0 0 0 0 PRESSAVG: 497400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497400 0 0 0 0 0 0 0 0 0 TIMING: 497400 CPU: 1981.63, 0.00397027/step Wall: 1981.63, 0.00397026/step, 0.00286741 hours remaining, 109.652344 MB of memory in use. ENERGY: 497400 613.5424 1832.5264 2021.3034 111.1258 -14.9756 -1016.4170 163.3732 0.0000 2745.1819 6455.6606 303.2130 3710.4786 6490.7511 297.3858 PRESSURE: 497500 0 0 0 0 0 0 0 0 0 GPRESSURE: 497500 0 0 0 0 0 0 0 0 0 PRESSAVG: 497500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497500 0 0 0 0 0 0 0 0 0 TIMING: 497500 CPU: 1982.03, 0.00397721/step Wall: 1982.03, 0.00397722/step, 0.00276196 hours remaining, 109.652344 MB of memory in use. ENERGY: 497500 625.4327 1890.9112 2033.1056 103.9079 -14.7958 -1052.8239 159.4651 0.0000 2746.9409 6492.1438 303.4073 3745.2029 6525.3072 300.0802 PRESSURE: 497600 0 0 0 0 0 0 0 0 0 GPRESSURE: 497600 0 0 0 0 0 0 0 0 0 PRESSAVG: 497600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497600 0 0 0 0 0 0 0 0 0 TIMING: 497600 CPU: 1982.42, 0.00396899/step Wall: 1982.42, 0.00396899/step, 0.00264599 hours remaining, 109.652344 MB of memory in use. ENERGY: 497600 664.2295 1948.7407 2008.4321 104.2385 -14.0309 -1048.2029 165.3073 0.0000 2651.7375 6480.4517 292.8918 3828.7141 6509.7430 300.2926 PRESSURE: 497700 0 0 0 0 0 0 0 0 0 GPRESSURE: 497700 0 0 0 0 0 0 0 0 0 PRESSAVG: 497700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497700 0 0 0 0 0 0 0 0 0 TIMING: 497700 CPU: 1982.82, 0.0039693/step Wall: 1982.82, 0.0039693/step, 0.00253594 hours remaining, 109.652344 MB of memory in use. ENERGY: 497700 658.0860 1867.0176 2005.4443 101.6626 -14.4761 -1030.8132 149.0850 0.0000 2736.0396 6472.0459 302.2032 3736.0063 6504.6041 299.5933 PRESSURE: 497800 0 0 0 0 0 0 0 0 0 GPRESSURE: 497800 0 0 0 0 0 0 0 0 0 PRESSAVG: 497800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497800 0 0 0 0 0 0 0 0 0 TIMING: 497800 CPU: 1983.22, 0.00398118/step Wall: 1983.22, 0.00398118/step, 0.00243294 hours remaining, 109.652344 MB of memory in use. ENERGY: 497800 635.2017 1873.2387 2009.1453 111.7229 -14.0797 -1035.2984 150.7912 0.0000 2722.8260 6453.5478 300.7437 3730.7218 6486.2752 298.4951 PRESSURE: 497900 0 0 0 0 0 0 0 0 0 GPRESSURE: 497900 0 0 0 0 0 0 0 0 0 PRESSAVG: 497900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 497900 0 0 0 0 0 0 0 0 0 TIMING: 497900 CPU: 1983.62, 0.00397409/step Wall: 1983.62, 0.00397409/step, 0.00231822 hours remaining, 109.652344 MB of memory in use. ENERGY: 497900 663.9798 1810.6211 2014.3759 99.1385 -14.2824 -1019.2011 160.8741 0.0000 2728.0940 6443.5998 301.3256 3715.5059 6477.5377 298.3062 PRESSURE: 498000 0 0 0 0 0 0 0 0 0 GPRESSURE: 498000 0 0 0 0 0 0 0 0 0 PRESSAVG: 498000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498000 0 0 0 0 0 0 0 0 0 TIMING: 498000 CPU: 1984.01, 0.00398016/step Wall: 1984.01, 0.00398016/step, 0.0022112 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 498000 615.0301 1861.5861 2014.7052 98.3488 -14.5791 -1031.2737 178.0421 0.0000 2699.6953 6421.5549 298.1889 3721.8596 6452.2356 297.9911 PRESSURE: 498100 0 0 0 0 0 0 0 0 0 GPRESSURE: 498100 0 0 0 0 0 0 0 0 0 PRESSAVG: 498100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498100 0 0 0 0 0 0 0 0 0 TIMING: 498100 CPU: 1984.41, 0.00397063/step Wall: 1984.41, 0.00397063/step, 0.00209561 hours remaining, 109.652344 MB of memory in use. ENERGY: 498100 657.8895 1814.5785 1989.8354 112.4920 -14.6378 -999.7744 167.5808 0.0000 2714.0562 6442.0202 299.7751 3727.9640 6475.4985 298.4664 PRESSURE: 498200 0 0 0 0 0 0 0 0 0 GPRESSURE: 498200 0 0 0 0 0 0 0 0 0 PRESSAVG: 498200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498200 0 0 0 0 0 0 0 0 0 TIMING: 498200 CPU: 1984.81, 0.0039678/step Wall: 1984.81, 0.0039678/step, 0.0019839 hours remaining, 109.652344 MB of memory in use. ENERGY: 498200 679.4429 1863.3577 2021.7954 94.2211 -15.0077 -1049.6697 154.7126 0.0000 2707.0067 6455.8591 298.9964 3748.8524 6486.8616 298.8433 PRESSURE: 498300 0 0 0 0 0 0 0 0 0 GPRESSURE: 498300 0 0 0 0 0 0 0 0 0 PRESSAVG: 498300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498300 0 0 0 0 0 0 0 0 0 TIMING: 498300 CPU: 1985.21, 0.00398079/step Wall: 1985.21, 0.00398079/step, 0.00187982 hours remaining, 109.652344 MB of memory in use. ENERGY: 498300 630.0708 1855.2408 2013.7087 110.4208 -15.1936 -1023.9781 165.4587 0.0000 2705.0733 6440.8014 298.7829 3735.7281 6474.4724 299.0641 PRESSURE: 498400 0 0 0 0 0 0 0 0 0 GPRESSURE: 498400 0 0 0 0 0 0 0 0 0 PRESSAVG: 498400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498400 0 0 0 0 0 0 0 0 0 TIMING: 498400 CPU: 1985.6, 0.00397292/step Wall: 1985.6, 0.00397292/step, 0.00176574 hours remaining, 109.652344 MB of memory in use. ENERGY: 498400 646.3033 1915.5787 2001.9379 110.5583 -14.5371 -1048.0761 172.0226 0.0000 2696.3863 6480.1738 297.8234 3783.7876 6511.2575 300.5821 PRESSURE: 498500 0 0 0 0 0 0 0 0 0 GPRESSURE: 498500 0 0 0 0 0 0 0 0 0 PRESSAVG: 498500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498500 0 0 0 0 0 0 0 0 0 TIMING: 498500 CPU: 1986, 0.00398126/step Wall: 1986, 0.00398126/step, 0.00165886 hours remaining, 109.652344 MB of memory in use. ENERGY: 498500 665.3827 1887.3274 1995.5060 103.2373 -14.6533 -1043.4641 156.2820 0.0000 2682.5441 6432.1620 296.2945 3749.6180 6464.9838 298.4363 PRESSURE: 498600 0 0 0 0 0 0 0 0 0 GPRESSURE: 498600 0 0 0 0 0 0 0 0 0 PRESSAVG: 498600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498600 0 0 0 0 0 0 0 0 0 TIMING: 498600 CPU: 1986.4, 0.00397043/step Wall: 1986.4, 0.00397043/step, 0.00154406 hours remaining, 109.652344 MB of memory in use. ENERGY: 498600 637.7203 1845.0591 2008.4878 99.8529 -14.8360 -1049.7480 170.3059 0.0000 2726.9291 6423.7711 301.1969 3696.8420 6458.2202 298.0364 PRESSURE: 498700 0 0 0 0 0 0 0 0 0 GPRESSURE: 498700 0 0 0 0 0 0 0 0 0 PRESSAVG: 498700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498700 0 0 0 0 0 0 0 0 0 TIMING: 498700 CPU: 1986.8, 0.00397113/step Wall: 1986.8, 0.00397113/step, 0.00143402 hours remaining, 109.652344 MB of memory in use. ENERGY: 498700 635.6196 1901.4604 1990.5171 102.3694 -15.5787 -1016.4003 163.4780 0.0000 2686.1729 6447.6385 296.6953 3761.4656 6480.0966 297.3551 PRESSURE: 498800 0 0 0 0 0 0 0 0 0 GPRESSURE: 498800 0 0 0 0 0 0 0 0 0 PRESSAVG: 498800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498800 0 0 0 0 0 0 0 0 0 TIMING: 498800 CPU: 1987.19, 0.00398155/step Wall: 1987.19, 0.00398155/step, 0.00132718 hours remaining, 109.652344 MB of memory in use. ENERGY: 498800 682.6575 1840.6713 2015.3358 94.5902 -15.1931 -1055.2072 169.2624 0.0000 2680.0540 6412.1708 296.0194 3732.1168 6443.9950 297.5575 PRESSURE: 498900 0 0 0 0 0 0 0 0 0 GPRESSURE: 498900 0 0 0 0 0 0 0 0 0 PRESSAVG: 498900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 498900 0 0 0 0 0 0 0 0 0 TIMING: 498900 CPU: 1987.59, 0.00397122/step Wall: 1987.59, 0.00397122/step, 0.00121343 hours remaining, 109.652344 MB of memory in use. ENERGY: 498900 658.6207 1864.4214 2001.1377 91.4885 -15.1254 -1045.6756 160.1435 0.0000 2735.4611 6450.4721 302.1393 3715.0109 6485.1670 295.8799 PRESSURE: 499000 0 0 0 0 0 0 0 0 0 GPRESSURE: 499000 0 0 0 0 0 0 0 0 0 PRESSAVG: 499000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499000 0 0 0 0 0 0 0 0 0 TIMING: 499000 CPU: 1987.99, 0.00398032/step Wall: 1987.99, 0.00398032/step, 0.00110564 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 499000 646.9150 1900.1265 2012.4957 102.8623 -15.8229 -1024.1879 170.4710 0.0000 2685.7265 6478.5862 296.6460 3792.8597 6512.2455 299.1858 PRESSURE: 499100 0 0 0 0 0 0 0 0 0 GPRESSURE: 499100 0 0 0 0 0 0 0 0 0 PRESSAVG: 499100 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499100 0 0 0 0 0 0 0 0 0 TIMING: 499100 CPU: 1988.39, 0.0039712/step Wall: 1988.39, 0.0039712/step, 0.0009928 hours remaining, 109.652344 MB of memory in use. ENERGY: 499100 658.3645 1915.4728 2041.0056 93.8212 -15.7926 -1041.7270 167.3535 0.0000 2670.2701 6488.7681 294.9388 3818.4980 6519.8531 301.3273 PRESSURE: 499200 0 0 0 0 0 0 0 0 0 GPRESSURE: 499200 0 0 0 0 0 0 0 0 0 PRESSAVG: 499200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499200 0 0 0 0 0 0 0 0 0 TIMING: 499200 CPU: 1988.78, 0.00396836/step Wall: 1988.78, 0.00396836/step, 0.000881858 hours remaining, 109.652344 MB of memory in use. ENERGY: 499200 644.5790 1901.4214 2021.0403 104.1572 -15.1768 -1025.6610 171.2395 0.0000 2661.1812 6462.7808 293.9349 3801.5996 6495.3313 298.0538 PRESSURE: 499300 0 0 0 0 0 0 0 0 0 GPRESSURE: 499300 0 0 0 0 0 0 0 0 0 PRESSAVG: 499300 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499300 0 0 0 0 0 0 0 0 0 TIMING: 499300 CPU: 1989.18, 0.00398022/step Wall: 1989.18, 0.00398022/step, 0.000773932 hours remaining, 109.652344 MB of memory in use. ENERGY: 499300 646.1579 1863.0065 2037.8481 121.2397 -16.1072 -1064.6052 167.3578 0.0000 2683.5100 6438.4074 296.4012 3754.8974 6473.6253 299.2551 PRESSURE: 499400 0 0 0 0 0 0 0 0 0 GPRESSURE: 499400 0 0 0 0 0 0 0 0 0 PRESSAVG: 499400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499400 0 0 0 0 0 0 0 0 0 TIMING: 499400 CPU: 1989.58, 0.00397166/step Wall: 1989.58, 0.00397166/step, 0.000661943 hours remaining, 109.652344 MB of memory in use. ENERGY: 499400 633.2477 1828.6448 2029.8453 114.3362 -14.7135 -1050.4618 161.2003 0.0000 2764.9510 6467.0500 305.3965 3702.0990 6501.2463 297.8779 PRESSURE: 499500 0 0 0 0 0 0 0 0 0 GPRESSURE: 499500 0 0 0 0 0 0 0 0 0 PRESSAVG: 499500 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499500 0 0 0 0 0 0 0 0 0 TIMING: 499500 CPU: 1989.98, 0.00397852/step Wall: 1989.98, 0.00397852/step, 0.000552572 hours remaining, 109.652344 MB of memory in use. ENERGY: 499500 666.5077 1876.8692 2007.1803 103.2024 -14.4497 -1041.5344 182.4882 0.0000 2692.2127 6472.4765 297.3624 3780.2639 6503.7740 298.4840 PRESSURE: 499600 0 0 0 0 0 0 0 0 0 GPRESSURE: 499600 0 0 0 0 0 0 0 0 0 PRESSAVG: 499600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499600 0 0 0 0 0 0 0 0 0 TIMING: 499600 CPU: 1990.37, 0.00397028/step Wall: 1990.37, 0.00397028/step, 0.000441142 hours remaining, 109.652344 MB of memory in use. ENERGY: 499600 676.8526 1861.8860 2010.9891 96.0255 -13.6853 -1025.8953 149.1527 0.0000 2669.9586 6425.2840 294.9044 3755.3254 6456.2032 296.9407 PRESSURE: 499700 0 0 0 0 0 0 0 0 0 GPRESSURE: 499700 0 0 0 0 0 0 0 0 0 PRESSAVG: 499700 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499700 0 0 0 0 0 0 0 0 0 TIMING: 499700 CPU: 1990.77, 0.00397064/step Wall: 1990.77, 0.00397064/step, 0.000330887 hours remaining, 109.652344 MB of memory in use. ENERGY: 499700 633.9843 1843.6310 2021.6536 99.6183 -15.1634 -1030.3900 157.8974 0.0000 2705.5620 6416.7932 298.8369 3711.2311 6452.4886 298.6484 PRESSURE: 499800 0 0 0 0 0 0 0 0 0 GPRESSURE: 499800 0 0 0 0 0 0 0 0 0 PRESSAVG: 499800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499800 0 0 0 0 0 0 0 0 0 TIMING: 499800 CPU: 1991.17, 0.00400088/step Wall: 1991.17, 0.00400088/step, 0.000222271 hours remaining, 109.652344 MB of memory in use. ENERGY: 499800 660.6521 1828.5019 1990.6443 118.4392 -14.8136 -1043.3683 157.9744 0.0000 2672.0209 6370.0510 295.1322 3698.0301 6401.5562 295.7671 PRESSURE: 499900 0 0 0 0 0 0 0 0 0 GPRESSURE: 499900 0 0 0 0 0 0 0 0 0 PRESSAVG: 499900 0 0 0 0 0 0 0 0 0 GPRESSAVG: 499900 0 0 0 0 0 0 0 0 0 TIMING: 499900 CPU: 1991.57, 0.00397147/step Wall: 1991.57, 0.00397147/step, 0.000110319 hours remaining, 109.652344 MB of memory in use. ENERGY: 499900 662.4096 1894.5196 1996.8230 98.8297 -14.1704 -1031.8861 176.8562 0.0000 2627.1234 6410.5050 290.1731 3783.3817 6442.1588 294.9597 PRESSURE: 500000 0 0 0 0 0 0 0 0 0 GPRESSURE: 500000 0 0 0 0 0 0 0 0 0 PRESSAVG: 500000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 500000 0 0 0 0 0 0 0 0 0 TIMING: 500000 CPU: 1991.97, 0.00399348/step Wall: 1991.97, 0.00399348/step, 0 hours remaining, 109.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 500000 632.1544 1875.2695 1995.9013 90.2217 -14.6045 -1034.7642 151.6286 0.0000 2715.0646 6410.8714 299.8865 3695.8067 6446.1804 296.1670 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE Equilibration.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 500000 CLOSING COORDINATE DCD FILE Equilibration.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 500000 ==================================================== WallClock: 1994.466309 CPUTime: 1994.466309 Memory: 109.746094 MB [Partition 0][Node 0] End of program