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 1.41622 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 8.80859 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.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: consexp (constraints) Warning: consref (constraints) Warning: conskfile (constraints) Warning: conskcol (constraints) Warning: constraintScaling (constraints) 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 Equilibration.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 MD.dcd Info: DCD FREQUENCY 10000 Info: DCD FIRST STEP 10000 Info: XST FILENAME MD.xst Info: XST FREQUENCY 10000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD Info: RESTART FILENAME MD.restart Info: RESTART FREQUENCY 10000 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 200 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 200 Info: PRESSURE OUTPUT STEPS 200 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 1475170036 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 Equilibration.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: 0.551593 Info: TIME FOR READING PDB FILE: 0.00560999 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: 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 Equilibration.restart.coor Info: Info: Entering startup at 2.26488 s, 13.5625 MB of memory in use Info: Startup phase 0 took 7.20024e-05 s, 13.582 MB of memory in use Info: ADDED 19971 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.004143 s, 15.0273 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 0.295921 s, 97.7305 MB of memory in use Info: Startup phase 3 took 0.00012207 s, 97.7305 MB of memory in use Info: Startup phase 4 took 0.000104904 s, 97.7617 MB of memory in use Info: Startup phase 5 took 4.50611e-05 s, 97.7617 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 Equilibration.restart.vel Info: REMOVING COM VELOCITY -0.103469 0.189428 0.0857672 Info: LARGEST PATCH (6) HAS 483 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 0.00324702 s, 97.8594 MB of memory in use Info: Startup phase 7 took 4.69685e-05 s, 97.8594 MB of memory in use Info: Startup phase 8 took 3.09944e-05 s, 97.8633 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 4.81606e-05 s, 97.8906 MB of memory in use Info: CREATING 141 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 0.00162697 s, 98.0312 MB of memory in use Info: Startup phase 11 took 4.98295e-05 s, 98.0312 MB of memory in use Info: Startup phase 12 took 8.10623e-05 s, 98.1094 MB of memory in use Info: Finished startup at 2.57042 s, 98.1094 MB of memory in use TCL: Running for 2500000 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: 0 632.1544 1875.2695 1995.9013 90.2217 -14.6045 -1034.7638 0.0000 0.0000 2713.3815 6257.5601 299.7005 3544.1785 6290.3756 299.7005 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 2.66698 LDB: ============== END OF LOAD BALANCING =============== 2.66702 LDB: =============== DONE WITH MIGRATION ================ 2.66708 LDB: ============= START OF LOAD BALANCING ============== 2.98516 LDB: ============== END OF LOAD BALANCING =============== 2.98518 LDB: =============== DONE WITH MIGRATION ================ 2.98525 Info: Initial time: 1 CPUs 0.00409051 s/step 0.0236719 days/ns 106.277 MB memory LDB: ============= START OF LOAD BALANCING ============== 3.06415 LDB: ============== END OF LOAD BALANCING =============== 3.06417 LDB: =============== DONE WITH MIGRATION ================ 3.06421 LDB: ============= START OF LOAD BALANCING ============== 3.38143 LDB: ============== END OF LOAD BALANCING =============== 3.38144 LDB: =============== DONE WITH MIGRATION ================ 3.38151 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 0.00396136 s/step 0.0229245 days/ns 106.406 MB memory TIMING: 200 CPU: 0.817226, 0.00402841/step Wall: 0.817226, 0.00402841/step, 2.79728 hours remaining, 106.406250 MB of memory in use. ENERGY: 200 642.9479 1878.0548 2063.3267 101.4979 -8.0169 -1054.1000 0.0000 0.0000 2659.3884 6283.0989 293.7369 3623.7105 6316.5865 295.4093 LDB: ============= START OF LOAD BALANCING ============== 3.77695 LDB: ============== END OF LOAD BALANCING =============== 3.77696 LDB: =============== DONE WITH MIGRATION ================ 3.77702 Info: Initial time: 1 CPUs 0.00395262 s/step 0.0228739 days/ns 106.422 MB memory LDB: ============= START OF LOAD BALANCING ============== 4.17204 LDB: ============== END OF LOAD BALANCING =============== 4.17205 LDB: =============== DONE WITH MIGRATION ================ 4.17212 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 0.00394995 s/step 0.0228585 days/ns 106.422 MB memory TIMING: 400 CPU: 1.60778, 0.00395279/step Wall: 1.60778, 0.00395279/step, 2.74455 hours remaining, 106.421875 MB of memory in use. ENERGY: 400 663.8054 1808.2450 2037.3352 113.7728 -6.8855 -1052.5721 0.0000 0.0000 2677.2320 6240.9329 295.7077 3563.7009 6275.4328 294.1124 Info: Benchmark time: 1 CPUs 0.00395274 s/step 0.0228746 days/ns 106.484 MB memory 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 0.00393271 s/step 0.0227587 days/ns 106.531 MB memory TIMING: 600 CPU: 2.39646, 0.00394338/step Wall: 2.39646, 0.00394338/step, 2.7378 hours remaining, 106.531250 MB of memory in use. ENERGY: 600 645.0087 1930.4203 2012.2887 110.1499 -6.6364 -1031.0945 0.0000 0.0000 2638.4919 6298.6287 291.4288 3660.1368 6329.5040 295.2946 Info: Benchmark time: 1 CPUs 0.00394612 s/step 0.0228363 days/ns 106.531 MB memory 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 0.00393807 s/step 0.0227898 days/ns 106.582 MB memory TIMING: 800 CPU: 3.185, 0.00394271/step Wall: 3.185, 0.00394271/step, 2.73711 hours remaining, 106.582031 MB of memory in use. ENERGY: 800 615.8499 1830.7149 2026.6599 102.8300 -4.6691 -1023.1389 0.0000 0.0000 2721.5927 6269.8394 300.6075 3548.2467 6305.2959 295.5326 Info: Benchmark time: 1 CPUs 0.00393402 s/step 0.0227663 days/ns 106.586 MB memory 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: 3.97322, 0.00394108/step Wall: 3.97322, 0.00394108/step, 2.73577 hours remaining, 106.585938 MB of memory in use. ENERGY: 1000 664.2025 1818.0481 2011.6936 99.6723 -5.5183 -1010.6221 0.0000 0.0000 2715.9004 6293.3765 299.9788 3577.4761 6328.2586 296.2995 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: 4.76226, 0.00394524/step Wall: 4.76226, 0.00394523/step, 2.73843 hours remaining, 106.589844 MB of memory in use. ENERGY: 1200 671.7842 1864.4400 2012.3585 113.1835 -4.1168 -1017.2527 0.0000 0.0000 2617.7371 6258.1338 289.1364 3640.3967 6290.9560 294.7057 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: 5.55022, 0.00393977/step Wall: 5.55022, 0.00393978/step, 2.73442 hours remaining, 106.597656 MB of memory in use. ENERGY: 1400 649.4230 1881.0053 1995.0660 113.6202 -3.5078 -1033.2755 0.0000 0.0000 2636.0796 6238.4108 291.1623 3602.3312 6267.9320 293.8721 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: 6.33871, 0.00394246/step Wall: 6.33871, 0.00394246/step, 2.73606 hours remaining, 106.605469 MB of memory in use. ENERGY: 1600 675.5855 1847.6980 2027.0463 110.1343 -3.3183 -1036.5184 0.0000 0.0000 2644.3060 6264.9335 292.0710 3620.6275 6296.1283 292.9582 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: 7.12791, 0.00394598/step Wall: 7.12791, 0.00394598/step, 2.73829 hours remaining, 106.605469 MB of memory in use. ENERGY: 1800 614.1859 1875.6638 1990.0762 112.0599 -4.9687 -1033.2226 0.0000 0.0000 2730.8948 6284.6891 301.6349 3553.7943 6318.6012 296.7244 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: 7.91639, 0.00394243/step Wall: 7.91639, 0.00394243/step, 2.73561 hours remaining, 106.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2000 685.9350 1874.2072 2037.5328 100.1395 -4.9560 -1020.2207 0.0000 0.0000 2642.7760 6315.4139 291.9020 3672.6379 6344.7535 298.2159 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: 8.70467, 0.00394138/step Wall: 8.70467, 0.00394138/step, 2.73466 hours remaining, 106.609375 MB of memory in use. ENERGY: 2200 655.2294 1834.8842 2038.0511 104.3245 -3.3147 -1051.4634 0.0000 0.0000 2661.5028 6239.2139 293.9704 3577.7111 6270.5948 296.0712 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: 9.49158, 0.00393456/step Wall: 9.49158, 0.00393456/step, 2.72971 hours remaining, 106.609375 MB of memory in use. ENERGY: 2400 665.6636 1849.9959 1990.4063 102.5225 -4.1350 -1030.7926 0.0000 0.0000 2659.6738 6233.3344 293.7684 3573.6606 6263.7193 294.4387 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: 10.2798, 0.00394099/step Wall: 10.2798, 0.00394099/step, 2.73395 hours remaining, 106.609375 MB of memory in use. ENERGY: 2600 648.5541 1825.8265 2025.8789 98.6582 -4.6341 -1051.9352 0.0000 0.0000 2642.7526 6185.1011 291.8994 3542.3484 6218.6286 292.8438 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: 11.0687, 0.00394466/step Wall: 11.0687, 0.00394466/step, 2.73628 hours remaining, 106.660156 MB of memory in use. ENERGY: 2800 638.4984 1798.2466 2009.7607 88.7440 -5.7836 -1010.3820 0.0000 0.0000 2684.9318 6204.0160 296.5582 3519.0842 6239.5816 291.2303 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: 11.8574, 0.00394343/step Wall: 11.8574, 0.00394342/step, 2.7352 hours remaining, 106.660156 MB of memory in use. ENERGY: 3000 648.2777 1846.8679 2058.3209 107.7603 -5.3219 -1045.5182 0.0000 0.0000 2716.5998 6326.9864 300.0560 3610.3867 6361.1999 296.0717 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: 12.6452, 0.0039391/step Wall: 12.6452, 0.0039391/step, 2.73199 hours remaining, 106.664062 MB of memory in use. ENERGY: 3200 664.8027 1941.2785 2025.3766 112.2149 -3.2118 -1054.8112 0.0000 0.0000 2674.2228 6359.8724 295.3754 3685.6496 6393.3256 298.9052 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: 13.4348, 0.00394777/step Wall: 13.4348, 0.00394777/step, 2.73778 hours remaining, 106.671875 MB of memory in use. ENERGY: 3400 677.4258 1888.6942 2033.4955 108.8698 -3.5700 -1049.0659 0.0000 0.0000 2722.8806 6378.7299 300.7497 3655.8493 6411.7952 300.5008 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: 14.2242, 0.00394721/step Wall: 14.2242, 0.00394721/step, 2.73717 hours remaining, 106.671875 MB of memory in use. ENERGY: 3600 634.0005 1852.2195 2073.1892 108.0972 -3.3531 -1022.8616 0.0000 0.0000 2762.3245 6403.6161 305.1064 3641.2916 6439.9275 301.7917 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: 15.0139, 0.00394864/step Wall: 15.0139, 0.00394864/step, 2.73795 hours remaining, 106.730469 MB of memory in use. ENERGY: 3800 663.2581 1868.1081 2045.1824 113.2528 -3.3987 -1027.9653 0.0000 0.0000 2703.4686 6361.9060 298.6056 3658.4373 6395.2353 301.0615 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: 15.8037, 0.00394897/step Wall: 15.8037, 0.00394897/step, 2.73795 hours remaining, 106.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 4000 681.6183 1857.4560 2009.5665 116.6859 -2.4778 -1043.5741 0.0000 0.0000 2662.8861 6282.1609 294.1232 3619.2748 6317.2917 298.7319 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: 16.5917, 0.00394006/step Wall: 16.5917, 0.00394006/step, 2.73156 hours remaining, 106.730469 MB of memory in use. ENERGY: 4200 658.3329 1810.3671 2046.0632 96.4831 -4.2863 -1030.6494 0.0000 0.0000 2703.6461 6279.9567 298.6252 3576.3106 6312.7724 296.2206 LDB: ============= START OF LOAD BALANCING ============== 19.552 LDB: ============== END OF LOAD BALANCING =============== 19.552 LDB: =============== DONE WITH MIGRATION ================ 19.5521 LDB: ============= START OF LOAD BALANCING ============== 19.9468 LDB: ============== END OF LOAD BALANCING =============== 19.9468 LDB: =============== DONE WITH MIGRATION ================ 19.9469 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: 17.3825, 0.00395392/step Wall: 17.3825, 0.00395392/step, 2.74095 hours remaining, 106.730469 MB of memory in use. ENERGY: 4400 688.2094 1928.1392 2029.8717 97.4045 -2.3572 -1066.6073 0.0000 0.0000 2660.5014 6335.1617 293.8598 3674.6603 6367.1001 297.5912 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: 18.1724, 0.00394931/step Wall: 18.1724, 0.00394931/step, 2.73753 hours remaining, 106.777344 MB of memory in use. ENERGY: 4600 632.2984 1860.8155 2074.6289 109.7681 -3.0574 -1071.0800 0.0000 0.0000 2752.6304 6356.0040 304.0357 3603.3735 6390.2917 299.2734 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: 18.9641, 0.00395858/step Wall: 18.9641, 0.00395858/step, 2.74373 hours remaining, 106.781250 MB of memory in use. ENERGY: 4800 660.4633 1862.1874 2045.5889 102.8314 -2.7115 -1061.9562 0.0000 0.0000 2756.4875 6362.8909 304.4617 3606.4034 6398.1378 302.6220 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: 19.7533, 0.0039461/step Wall: 19.7533, 0.0039461/step, 2.73487 hours remaining, 106.792969 MB of memory in use. ENERGY: 5000 656.0727 1870.7062 2034.9739 105.2501 -3.3633 -1040.8860 0.0000 0.0000 2812.4017 6435.1552 310.6376 3622.7535 6471.8008 303.5632 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: 20.5412, 0.00393933/step Wall: 20.5412, 0.00393933/step, 2.72995 hours remaining, 106.792969 MB of memory in use. ENERGY: 5200 697.6439 1858.0252 2027.3409 108.1652 -2.8737 -1012.5136 0.0000 0.0000 2710.7502 6386.5382 299.4099 3675.7879 6422.3145 304.3415 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: 21.3311, 0.00394943/step Wall: 21.3311, 0.00394943/step, 2.73673 hours remaining, 106.792969 MB of memory in use. ENERGY: 5400 690.2968 1880.6877 2037.6725 115.6977 -1.5775 -1026.1238 0.0000 0.0000 2707.3946 6404.0480 299.0393 3696.6534 6439.3214 303.1427 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: 22.1209, 0.00394925/step Wall: 22.1209, 0.00394925/step, 2.73639 hours remaining, 106.792969 MB of memory in use. ENERGY: 5600 651.5876 1836.3432 2040.1729 108.0930 -2.4248 -1030.1637 0.0000 0.0000 2781.2194 6384.8275 307.1934 3603.6082 6420.9556 303.3066 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: 22.9105, 0.00394771/step Wall: 22.9105, 0.00394771/step, 2.7351 hours remaining, 106.792969 MB of memory in use. ENERGY: 5800 668.6460 1923.8972 2003.3584 111.1195 -2.4214 -1030.7415 0.0000 0.0000 2686.5847 6360.4428 296.7408 3673.8582 6390.8237 303.4389 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: 23.6991, 0.0039433/step Wall: 23.6991, 0.0039433/step, 2.73183 hours remaining, 106.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 6000 648.0661 1851.7806 2027.5941 113.1319 -2.4175 -1001.8912 0.0000 0.0000 2706.7900 6343.0541 298.9725 3636.2641 6377.3964 301.3367 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: 24.4884, 0.00394625/step Wall: 24.4884, 0.00394625/step, 2.73365 hours remaining, 106.796875 MB of memory in use. ENERGY: 6200 695.0795 1887.4114 2039.2997 115.2161 -2.8168 -1085.9075 0.0000 0.0000 2691.3076 6339.5900 297.2624 3648.2824 6374.0986 299.9123 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: 25.2788, 0.00395188/step Wall: 25.2788, 0.00395188/step, 2.73734 hours remaining, 106.796875 MB of memory in use. ENERGY: 6400 700.3045 1880.3067 2041.8062 105.0303 -2.6256 -1049.5018 0.0000 0.0000 2648.0836 6323.4038 292.4882 3675.3202 6355.8790 298.8703 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: 26.0687, 0.00394969/step Wall: 26.0687, 0.00394969/step, 2.7356 hours remaining, 106.855469 MB of memory in use. ENERGY: 6600 697.8163 1846.5057 2061.6238 102.4282 -2.5809 -1059.4905 0.0000 0.0000 2664.1473 6310.4498 294.2625 3646.3025 6339.5687 298.4405 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: 26.8582, 0.0039475/step Wall: 26.8582, 0.0039475/step, 2.73386 hours remaining, 106.855469 MB of memory in use. ENERGY: 6800 648.5043 1844.8689 2064.3147 98.3669 -3.2404 -1053.4588 0.0000 0.0000 2673.2994 6272.6550 295.2734 3599.3556 6306.6967 296.4826 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: 27.6464, 0.00394107/step Wall: 27.6464, 0.00394107/step, 2.72919 hours remaining, 106.859375 MB of memory in use. ENERGY: 7000 647.9696 1831.0238 2011.7348 124.6354 -2.0419 -1037.9303 0.0000 0.0000 2675.4043 6250.7957 295.5059 3575.3915 6284.8399 294.0392 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: 28.4355, 0.00394537/step Wall: 28.4355, 0.00394537/step, 2.73195 hours remaining, 106.867188 MB of memory in use. ENERGY: 7200 683.2834 1835.7091 2024.1549 98.5257 -2.2424 -1040.4204 0.0000 0.0000 2677.3688 6276.3791 295.7228 3599.0103 6308.0083 295.8769 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: 29.2253, 0.00394906/step Wall: 29.2253, 0.00394906/step, 2.73429 hours remaining, 106.875000 MB of memory in use. ENERGY: 7400 657.5508 1890.7202 2023.5421 103.2060 -3.6264 -1020.1455 0.0000 0.0000 2708.7998 6360.0470 299.1945 3651.2472 6394.6202 298.7767 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: 30.0146, 0.00394652/step Wall: 30.0146, 0.00394652/step, 2.73231 hours remaining, 106.882812 MB of memory in use. ENERGY: 7600 627.5414 1869.1440 2036.0778 120.0576 -4.4118 -1049.1972 0.0000 0.0000 2724.0290 6323.2409 300.8766 3599.2118 6355.3316 299.9018 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: 30.8043, 0.00394863/step Wall: 30.8043, 0.00394863/step, 2.73355 hours remaining, 106.882812 MB of memory in use. ENERGY: 7800 683.1188 1833.9858 2006.8573 103.9084 -3.1481 -1057.6500 0.0000 0.0000 2746.7396 6313.8118 303.3850 3567.0722 6348.2724 299.3209 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: 31.5928, 0.00394235/step Wall: 31.5928, 0.00394235/step, 2.72898 hours remaining, 106.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 8000 646.6028 1823.5984 2017.0684 98.6185 -1.3477 -1017.4912 0.0000 0.0000 2771.4836 6338.5328 306.1181 3567.0493 6371.8518 297.1872 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: 32.3826, 0.00394883/step Wall: 32.3826, 0.00394883/step, 2.73325 hours remaining, 106.882812 MB of memory in use. ENERGY: 8200 687.4988 1833.1172 2025.6657 112.2521 -0.9666 -1050.8610 0.0000 0.0000 2737.4765 6344.1827 302.3619 3606.7062 6377.8709 300.9808 LDB: ============= START OF LOAD BALANCING ============== 35.3424 LDB: ============== END OF LOAD BALANCING =============== 35.3424 LDB: =============== DONE WITH MIGRATION ================ 35.3425 LDB: ============= START OF LOAD BALANCING ============== 35.7375 LDB: ============== END OF LOAD BALANCING =============== 35.7375 LDB: =============== DONE WITH MIGRATION ================ 35.7376 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: 33.1732, 0.00395307/step Wall: 33.1732, 0.00395307/step, 2.73596 hours remaining, 106.882812 MB of memory in use. ENERGY: 8400 665.3784 1869.9660 2040.2132 103.4084 -4.7275 -1059.5172 0.0000 0.0000 2703.7720 6318.4933 298.6392 3614.7213 6353.4600 300.0239 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: 33.963, 0.003949/step Wall: 33.963, 0.003949/step, 2.73293 hours remaining, 106.882812 MB of memory in use. ENERGY: 8600 655.7469 1854.3547 2051.6576 113.6661 -1.9934 -1040.8782 0.0000 0.0000 2664.7923 6297.3460 294.3337 3632.5537 6325.3610 295.7729 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: 34.7528, 0.00394922/step Wall: 34.7528, 0.00394922/step, 2.73286 hours remaining, 106.882812 MB of memory in use. ENERGY: 8800 691.2247 1853.7642 2031.4385 119.6257 -2.4900 -1058.2931 0.0000 0.0000 2685.4586 6320.7287 296.6164 3635.2701 6350.8386 297.7329 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: 35.5411, 0.00394125/step Wall: 35.5411, 0.00394125/step, 2.72713 hours remaining, 106.886719 MB of memory in use. ENERGY: 9000 633.6289 1876.3010 2049.1723 122.0386 -3.1380 -1041.9854 0.0000 0.0000 2710.7947 6346.8122 299.4148 3636.0175 6378.0112 299.9240 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: 36.3309, 0.00394917/step Wall: 36.3309, 0.00394917/step, 2.73238 hours remaining, 106.886719 MB of memory in use. ENERGY: 9200 658.7992 1883.3000 2021.3271 104.4974 -1.7924 -1070.8067 0.0000 0.0000 2708.3247 6303.6494 299.1420 3595.3246 6334.5332 299.6174 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: 37.121, 0.00395063/step Wall: 37.121, 0.00395063/step, 2.73318 hours remaining, 106.886719 MB of memory in use. ENERGY: 9400 660.5072 1820.0297 2043.6530 97.3462 -3.3914 -1051.5627 0.0000 0.0000 2722.1880 6288.7700 300.6732 3566.5820 6321.0083 296.4052 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: 37.9108, 0.00394892/step Wall: 37.9108, 0.00394892/step, 2.73177 hours remaining, 106.886719 MB of memory in use. ENERGY: 9600 650.2717 1844.2460 2054.3003 115.4292 -3.3275 -1042.4980 0.0000 0.0000 2703.9351 6322.3570 298.6572 3618.4218 6353.4055 298.7251 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: 38.6995, 0.00394349/step Wall: 38.6995, 0.00394349/step, 2.7278 hours remaining, 106.890625 MB of memory in use. ENERGY: 9800 643.5193 1867.4192 2035.6590 122.1938 -3.5857 -1057.1625 0.0000 0.0000 2675.0163 6283.0594 295.4630 3608.0431 6317.7721 299.4778 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: 39.4901, 0.00395308/step Wall: 39.4901, 0.00395308/step, 2.73421 hours remaining, 107.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 10000 622.1171 1882.4936 2054.0941 116.7732 -3.4158 -1052.5760 0.0000 0.0000 2681.5744 6301.0606 296.1874 3619.4862 6331.3947 295.8664 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10000 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 10000 WRITING COORDINATES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART COORDINATES The last position output (seq=10000) takes 0.013 seconds, 107.492 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=10000) takes 0.006 seconds, 107.539 MB of memory in use 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: 40.3169, 0.00413398/step Wall: 40.3169, 0.00413398/step, 2.85911 hours remaining, 107.539062 MB of memory in use. ENERGY: 10200 689.2868 1862.7068 2028.7551 110.4879 -4.3623 -1048.0671 0.0000 0.0000 2726.3144 6365.1215 301.1290 3638.8072 6395.8535 299.6872 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: 41.1083, 0.00395707/step Wall: 41.1083, 0.00395707/step, 2.73654 hours remaining, 107.539062 MB of memory in use. ENERGY: 10400 644.1559 1884.1443 2026.1103 103.6480 -3.6982 -1040.6154 0.0000 0.0000 2766.5777 6380.3226 305.5762 3613.7449 6416.7208 303.2836 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: 41.8978, 0.0039473/step Wall: 41.8978, 0.0039473/step, 2.72956 hours remaining, 107.539062 MB of memory in use. ENERGY: 10600 655.9231 1888.9596 2035.7378 103.6994 -2.6288 -1039.3950 0.0000 0.0000 2692.4997 6334.7958 297.3941 3642.2961 6368.2827 302.3440 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: 42.6861, 0.00394157/step Wall: 42.6861, 0.00394157/step, 2.72537 hours remaining, 107.539062 MB of memory in use. ENERGY: 10800 647.2329 1878.3388 2032.5631 105.6568 -3.3112 -1065.6351 0.0000 0.0000 2747.9988 6342.8442 303.5241 3594.8453 6378.1490 300.2720 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: 43.4753, 0.0039462/step Wall: 43.4753, 0.0039462/step, 2.72836 hours remaining, 107.539062 MB of memory in use. ENERGY: 11000 666.0481 1835.1741 2055.0606 116.3305 -2.9224 -1067.2308 0.0000 0.0000 2754.3779 6356.8380 304.2287 3602.4601 6390.6743 302.5310 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: 44.2646, 0.0039463/step Wall: 44.2646, 0.0039463/step, 2.72821 hours remaining, 107.546875 MB of memory in use. ENERGY: 11200 687.4791 1850.6311 2051.0452 104.0678 -2.7538 -1077.0246 0.0000 0.0000 2738.3819 6351.8266 302.4619 3613.4447 6384.4286 300.8382 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: 45.0544, 0.00394884/step Wall: 45.0544, 0.00394884/step, 2.72975 hours remaining, 107.546875 MB of memory in use. ENERGY: 11400 651.9164 1863.2828 2032.9320 108.6470 -3.8309 -1003.2499 0.0000 0.0000 2683.2933 6332.9906 296.3772 3649.6973 6368.0147 301.0062 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: 45.844, 0.00394822/step Wall: 45.844, 0.00394822/step, 2.7291 hours remaining, 107.554688 MB of memory in use. ENERGY: 11600 633.0937 1868.8020 2059.3395 102.9695 -2.6510 -1059.0424 0.0000 0.0000 2706.6887 6309.2001 298.9613 3602.5113 6343.6173 299.3898 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: 46.6326, 0.0039428/step Wall: 46.6326, 0.0039428/step, 2.72513 hours remaining, 107.554688 MB of memory in use. ENERGY: 11800 626.1777 1882.4836 2035.3056 111.1324 -3.6881 -1068.4525 0.0000 0.0000 2677.8006 6260.7592 295.7705 3582.9586 6291.7395 297.7410 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: 47.4222, 0.00394793/step Wall: 47.4222, 0.00394793/step, 2.72846 hours remaining, 107.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 12000 641.3589 1835.8171 2041.2795 102.5750 -4.1927 -1057.4700 0.0000 0.0000 2706.8819 6266.2496 298.9826 3559.3677 6299.2692 297.8145 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: 48.2115, 0.00394644/step Wall: 48.2115, 0.00394644/step, 2.72721 hours remaining, 107.554688 MB of memory in use. ENERGY: 12200 685.1509 1816.6787 2028.7417 109.4489 -3.5439 -1101.9894 0.0000 0.0000 2703.3758 6237.8628 298.5954 3534.4870 6271.1019 297.1100 LDB: ============= START OF LOAD BALANCING ============== 51.1701 LDB: ============== END OF LOAD BALANCING =============== 51.1702 LDB: =============== DONE WITH MIGRATION ================ 51.1703 LDB: ============= START OF LOAD BALANCING ============== 51.5661 LDB: ============== END OF LOAD BALANCING =============== 51.5661 LDB: =============== DONE WITH MIGRATION ================ 51.5661 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: 49.0018, 0.00395158/step Wall: 49.0018, 0.00395158/step, 2.73054 hours remaining, 107.554688 MB of memory in use. ENERGY: 12400 648.3000 1889.4272 2030.9785 111.5330 -2.8123 -1090.2981 0.0000 0.0000 2693.7105 6280.8387 297.5278 3587.1282 6313.0387 296.6718 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: 49.7915, 0.00394858/step Wall: 49.7915, 0.00394858/step, 2.72825 hours remaining, 107.554688 MB of memory in use. ENERGY: 12600 683.9922 1854.2033 2045.3039 106.5667 -3.6833 -1068.6310 0.0000 0.0000 2683.1951 6300.9469 296.3664 3617.7518 6334.3031 299.0234 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: 50.5802, 0.00394379/step Wall: 50.5802, 0.00394379/step, 2.72472 hours remaining, 107.554688 MB of memory in use. ENERGY: 12800 672.3032 1856.2694 2032.6977 97.5279 -4.5294 -1052.7821 0.0000 0.0000 2713.4164 6314.9031 299.7044 3601.4867 6347.9611 298.3019 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: 51.3705, 0.00395123/step Wall: 51.3705, 0.00395123/step, 2.72964 hours remaining, 107.554688 MB of memory in use. ENERGY: 13000 630.2746 1905.6069 2016.9727 122.3392 -4.0261 -1081.6473 0.0000 0.0000 2739.4549 6328.9749 302.5804 3589.5200 6364.1806 300.3519 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: 52.1601, 0.00394827/step Wall: 52.1601, 0.00394827/step, 2.72738 hours remaining, 107.554688 MB of memory in use. ENERGY: 13200 651.7320 1851.4153 2018.2200 101.2188 -3.6935 -1043.3294 0.0000 0.0000 2729.9548 6305.5181 301.5311 3575.5633 6338.5286 300.5509 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: 52.9499, 0.00394894/step Wall: 52.9499, 0.00394894/step, 2.72762 hours remaining, 107.554688 MB of memory in use. ENERGY: 13400 668.2572 1868.3036 2050.0275 104.6742 -1.6204 -1086.6379 0.0000 0.0000 2650.6795 6253.6836 292.7749 3603.0041 6286.1121 296.5349 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: 53.7387, 0.00394376/step Wall: 53.7387, 0.00394376/step, 2.72382 hours remaining, 107.554688 MB of memory in use. ENERGY: 13600 689.6323 1782.7845 2046.6084 97.3649 -3.6992 -1039.0321 0.0000 0.0000 2690.5627 6264.2215 297.1801 3573.6589 6294.7791 295.2617 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: 54.5282, 0.00394765/step Wall: 54.5282, 0.00394765/step, 2.72629 hours remaining, 107.554688 MB of memory in use. ENERGY: 13800 678.0378 1887.5733 2032.7376 105.9692 -2.9310 -1090.9066 0.0000 0.0000 2702.9761 6313.4564 298.5512 3610.4803 6345.3079 298.3857 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: 55.3181, 0.00394955/step Wall: 55.3181, 0.00394955/step, 2.72739 hours remaining, 107.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 14000 686.6196 1854.5608 2034.0056 104.3989 -3.1711 -1055.1449 0.0000 0.0000 2674.5495 6295.8185 295.4114 3621.2690 6327.2176 298.9658 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: 56.1079, 0.00394901/step Wall: 56.1079, 0.00394901/step, 2.72679 hours remaining, 107.562500 MB of memory in use. ENERGY: 14200 665.7668 1854.1015 2031.4458 108.6281 -4.0874 -1052.9343 0.0000 0.0000 2745.2522 6348.1728 303.2208 3602.9205 6381.4586 299.4814 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: 56.8979, 0.00394973/step Wall: 56.8979, 0.00394973/step, 2.72707 hours remaining, 107.562500 MB of memory in use. ENERGY: 14400 629.5753 1900.1202 2024.9036 115.4464 -4.5236 -1051.5976 0.0000 0.0000 2736.1176 6350.0419 302.2118 3613.9244 6380.5954 301.9238 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: 57.687, 0.00394558/step Wall: 57.687, 0.00394558/step, 2.72398 hours remaining, 107.562500 MB of memory in use. ENERGY: 14600 691.8956 1879.0769 2050.0541 117.0131 -4.9187 -1053.6951 0.0000 0.0000 2686.5292 6365.9552 296.7346 3679.4260 6395.4200 302.1052 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: 58.477, 0.0039503/step Wall: 58.477, 0.0039503/step, 2.72702 hours remaining, 107.562500 MB of memory in use. ENERGY: 14800 652.1066 1847.7478 2056.1096 102.6774 -4.7559 -1051.1521 0.0000 0.0000 2731.1863 6333.9196 301.6671 3602.7334 6365.3495 299.8289 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: 59.2687, 0.00395846/step Wall: 59.2687, 0.00395846/step, 2.73243 hours remaining, 107.562500 MB of memory in use. ENERGY: 15000 664.2245 1844.6078 2043.3077 104.2411 -4.2137 -1081.0230 0.0000 0.0000 2638.0053 6209.1498 291.3750 3571.1444 6241.3056 296.7402 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: 60.0593, 0.00395266/step Wall: 60.0593, 0.00395266/step, 2.72821 hours remaining, 107.562500 MB of memory in use. ENERGY: 15200 644.4092 1838.3668 2023.8354 112.2516 -3.4347 -1051.4422 0.0000 0.0000 2711.4461 6275.4322 299.4868 3563.9861 6305.0403 295.7567 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: 60.8495, 0.00395089/step Wall: 60.8495, 0.00395089/step, 2.72677 hours remaining, 107.562500 MB of memory in use. ENERGY: 15400 694.5693 1876.3096 1998.7346 107.1114 -3.9731 -1096.5176 0.0000 0.0000 2707.4838 6283.7181 299.0491 3576.2343 6315.5907 298.4703 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: 61.639, 0.00394794/step Wall: 61.639, 0.00394794/step, 2.72452 hours remaining, 107.562500 MB of memory in use. ENERGY: 15600 661.4580 1847.2102 2040.3056 113.1789 -3.0012 -1055.1147 0.0000 0.0000 2678.1716 6282.2085 295.8115 3604.0369 6314.1736 296.5558 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: 62.4294, 0.00395201/step Wall: 62.4294, 0.00395201/step, 2.72711 hours remaining, 107.562500 MB of memory in use. ENERGY: 15800 685.9095 1843.1274 2047.6604 102.0218 -3.8649 -1087.1626 0.0000 0.0000 2692.7348 6280.4264 297.4201 3587.6916 6313.1189 297.7755 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: 63.22, 0.00395271/step Wall: 63.22, 0.00395271/step, 2.72737 hours remaining, 107.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 16000 666.5781 1834.4686 2043.4448 124.2556 -1.5063 -1091.8124 0.0000 0.0000 2702.9816 6278.4100 298.5519 3575.4283 6309.7956 297.1665 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: 64.01, 0.00395033/step Wall: 64.01, 0.00395033/step, 2.72551 hours remaining, 107.562500 MB of memory in use. ENERGY: 16200 619.1898 1868.2894 2034.4758 106.6444 -1.1654 -1059.5958 0.0000 0.0000 2716.1435 6283.9817 300.0056 3567.8382 6320.1427 297.4023 LDB: ============= START OF LOAD BALANCING ============== 66.9692 LDB: ============== END OF LOAD BALANCING =============== 66.9692 LDB: =============== DONE WITH MIGRATION ================ 66.9693 LDB: ============= START OF LOAD BALANCING ============== 67.3656 LDB: ============== END OF LOAD BALANCING =============== 67.3656 LDB: =============== DONE WITH MIGRATION ================ 67.3657 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: 64.8013, 0.00395641/step Wall: 64.8013, 0.00395641/step, 2.72949 hours remaining, 107.566406 MB of memory in use. ENERGY: 16400 654.6687 1871.9817 2008.7302 114.1921 -2.4022 -1065.2653 0.0000 0.0000 2697.5718 6279.4770 297.9543 3581.9052 6311.7152 296.7250 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: 65.5912, 0.00394912/step Wall: 65.5912, 0.00394912/step, 2.72423 hours remaining, 107.566406 MB of memory in use. ENERGY: 16600 644.7097 1829.7534 2037.6272 113.0580 -2.4468 -1080.6907 0.0000 0.0000 2745.3557 6287.3665 303.2322 3542.0108 6324.3582 299.6771 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: 66.3817, 0.00395285/step Wall: 66.3817, 0.00395285/step, 2.72658 hours remaining, 107.566406 MB of memory in use. ENERGY: 16800 691.1983 1841.5260 2065.8366 114.9705 -4.4632 -1075.9399 0.0000 0.0000 2740.1615 6373.2899 302.6585 3633.1284 6407.6199 300.9084 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: 67.172, 0.00395134/step Wall: 67.172, 0.00395134/step, 2.72533 hours remaining, 107.566406 MB of memory in use. ENERGY: 17000 647.3620 1845.7260 2064.3515 110.0591 -4.1001 -1042.4361 0.0000 0.0000 2751.0044 6371.9667 303.8561 3620.9623 6404.7225 304.1509 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: 67.9622, 0.00395101/step Wall: 67.9622, 0.00395101/step, 2.72488 hours remaining, 107.566406 MB of memory in use. ENERGY: 17200 681.2621 1880.2441 2011.2270 104.5281 -3.0209 -1049.5377 0.0000 0.0000 2699.6826 6324.3853 298.1875 3624.7027 6357.4706 300.9881 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: 68.7516, 0.00394722/step Wall: 68.7516, 0.00394722/step, 2.72204 hours remaining, 107.566406 MB of memory in use. ENERGY: 17400 668.7353 1861.4153 2035.6311 109.7879 -3.3030 -1072.2148 0.0000 0.0000 2722.1642 6322.2161 300.6706 3600.0519 6355.7960 300.3760 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: 69.5423, 0.00395347/step Wall: 69.5423, 0.00395347/step, 2.72614 hours remaining, 107.566406 MB of memory in use. ENERGY: 17600 661.7976 1921.3850 2055.8850 114.9221 -3.0470 -1079.3834 0.0000 0.0000 2669.3109 6340.8702 294.8328 3671.5594 6370.0342 299.7246 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: 70.3328, 0.00395216/step Wall: 70.3328, 0.00395216/step, 2.72502 hours remaining, 107.566406 MB of memory in use. ENERGY: 17800 669.4435 1865.1714 2035.7159 105.6197 -2.2818 -1083.3856 0.0000 0.0000 2741.0316 6331.3148 302.7546 3590.2832 6366.2768 299.4869 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: 71.1236, 0.00395425/step Wall: 71.1236, 0.00395425/step, 2.72624 hours remaining, 107.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 18000 693.6513 1808.5668 2051.4477 106.8571 -2.4470 -1101.0455 0.0000 0.0000 2757.5219 6314.5523 304.5760 3557.0304 6349.9900 300.2835 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: 71.9141, 0.00395257/step Wall: 71.9141, 0.00395257/step, 2.72485 hours remaining, 107.570312 MB of memory in use. ENERGY: 18200 646.9218 1860.6672 2056.7088 117.6172 -1.2586 -1070.6406 0.0000 0.0000 2689.5651 6299.5808 297.0700 3610.0157 6333.8457 298.9855 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: 72.7041, 0.00395007/step Wall: 72.7041, 0.00395007/step, 2.72291 hours remaining, 107.570312 MB of memory in use. ENERGY: 18400 633.2576 1949.6256 2034.2112 115.6127 -3.7500 -1070.3212 0.0000 0.0000 2691.8197 6350.4556 297.3190 3658.6359 6381.4488 300.1105 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: 73.4951, 0.00395494/step Wall: 73.4951, 0.00395494/step, 2.72605 hours remaining, 107.570312 MB of memory in use. ENERGY: 18600 641.7485 1866.5206 2023.4280 110.3006 -4.7613 -1057.0331 0.0000 0.0000 2709.9506 6290.1538 299.3216 3580.2032 6326.0022 298.1465 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: 74.2858, 0.00395322/step Wall: 74.2858, 0.00395323/step, 2.72465 hours remaining, 107.570312 MB of memory in use. ENERGY: 18800 676.4848 1845.3990 2048.0417 113.9341 -2.8568 -1056.7974 0.0000 0.0000 2696.0191 6320.2246 297.7828 3624.2054 6349.6678 299.2038 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: 75.0764, 0.00395327/step Wall: 75.0764, 0.00395327/step, 2.72447 hours remaining, 107.570312 MB of memory in use. ENERGY: 19000 651.5268 1849.0178 2052.9606 116.7427 -3.2327 -1030.5411 0.0000 0.0000 2687.8695 6324.3438 296.8827 3636.4742 6353.4221 300.3002 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: 75.8671, 0.00395321/step Wall: 75.8671, 0.00395321/step, 2.7242 hours remaining, 107.570312 MB of memory in use. ENERGY: 19200 665.2265 1901.9050 2022.9719 104.9122 -3.3965 -1062.1652 0.0000 0.0000 2739.9260 6369.3799 302.6325 3629.4539 6406.0445 300.6588 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: 76.6577, 0.00395309/step Wall: 76.6577, 0.00395309/step, 2.7239 hours remaining, 107.582031 MB of memory in use. ENERGY: 19400 674.2928 1865.4996 2073.0201 122.3343 -3.6765 -1060.1682 0.0000 0.0000 2724.9927 6396.2948 300.9830 3671.3021 6429.5770 303.1113 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: 77.4491, 0.00395684/step Wall: 77.4491, 0.00395684/step, 2.72626 hours remaining, 107.582031 MB of memory in use. ENERGY: 19600 663.1236 1877.7611 2031.3483 100.6499 -2.7393 -1064.4739 0.0000 0.0000 2756.5317 6362.2013 304.4666 3605.6696 6396.0487 300.7183 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: 78.2404, 0.00395671/step Wall: 78.2404, 0.00395671/step, 2.72596 hours remaining, 107.582031 MB of memory in use. ENERGY: 19800 648.0848 1877.1040 2064.9162 117.8644 -3.6088 -1068.8242 0.0000 0.0000 2681.7037 6317.2401 296.2016 3635.5364 6348.7069 299.9139 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: 79.0319, 0.00395731/step Wall: 79.0319, 0.00395731/step, 2.72615 hours remaining, 107.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 20000 666.7788 1847.8777 2038.7497 101.2885 -4.0584 -1039.2358 0.0000 0.0000 2727.1322 6338.5326 301.2194 3611.4004 6372.2486 299.5962 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 20000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 20000 WRITING COORDINATES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART COORDINATES The last position output (seq=20000) takes 0.011 seconds, 107.730 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=20000) takes 0.010 seconds, 107.730 MB of memory in use 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: 79.8623, 0.00415202/step Wall: 79.8623, 0.00415202/step, 2.86005 hours remaining, 107.730469 MB of memory in use. ENERGY: 20200 675.5638 1815.6475 2027.2851 103.8944 -3.7614 -1038.4508 0.0000 0.0000 2728.7583 6308.9370 301.3990 3580.1787 6342.4401 298.5708 LDB: ============= START OF LOAD BALANCING ============== 82.8219 LDB: ============== END OF LOAD BALANCING =============== 82.8219 LDB: =============== DONE WITH MIGRATION ================ 82.822 LDB: ============= START OF LOAD BALANCING ============== 83.2177 LDB: ============== END OF LOAD BALANCING =============== 83.2177 LDB: =============== DONE WITH MIGRATION ================ 83.2178 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: 80.6535, 0.00395604/step Wall: 80.6535, 0.00395604/step, 2.72484 hours remaining, 107.746094 MB of memory in use. ENERGY: 20400 683.5383 1853.4037 2050.0851 103.9408 -2.2154 -1068.0883 0.0000 0.0000 2678.8444 6299.5087 295.8858 3620.6643 6329.8196 298.6039 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: 81.4453, 0.0039591/step Wall: 81.4453, 0.0039591/step, 2.72672 hours remaining, 107.753906 MB of memory in use. ENERGY: 20600 685.2416 1891.9726 2000.8053 112.6088 -4.4311 -1050.3374 0.0000 0.0000 2695.5468 6331.4066 297.7307 3635.8598 6363.7881 298.4542 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: 82.2373, 0.0039598/step Wall: 82.2373, 0.0039598/step, 2.72698 hours remaining, 107.773438 MB of memory in use. ENERGY: 20800 663.7992 1928.8279 2010.8364 108.2481 -4.1787 -1060.8621 0.0000 0.0000 2678.5690 6325.2398 295.8554 3646.6707 6359.9672 300.5490 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: 83.029, 0.00395871/step Wall: 83.029, 0.00395871/step, 2.72601 hours remaining, 107.773438 MB of memory in use. ENERGY: 21000 675.1925 1850.7135 2018.2970 104.1231 -4.1858 -1052.6370 0.0000 0.0000 2733.0581 6324.5616 301.8739 3591.5035 6357.9886 299.5762 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: 83.8204, 0.00395711/step Wall: 83.8204, 0.00395711/step, 2.72469 hours remaining, 107.855469 MB of memory in use. ENERGY: 21200 665.6194 1938.5602 2021.0339 105.1894 -1.8751 -1074.3463 0.0000 0.0000 2668.3823 6322.5638 294.7303 3654.1816 6353.9809 299.9924 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: 84.6103, 0.00394962/step Wall: 84.6103, 0.00394962/step, 2.71931 hours remaining, 107.867188 MB of memory in use. ENERGY: 21400 686.4035 1851.8032 2044.5729 106.1184 -2.2054 -1048.1367 0.0000 0.0000 2694.5299 6333.0857 297.6183 3638.5558 6365.6590 299.4683 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: 85.4019, 0.00395758/step Wall: 85.4019, 0.00395758/step, 2.72457 hours remaining, 107.867188 MB of memory in use. ENERGY: 21600 672.8318 1863.4565 2051.8291 113.4999 -3.0994 -1049.9006 0.0000 0.0000 2663.5771 6312.1944 294.1995 3648.6174 6343.3691 299.7352 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: 86.1935, 0.00395826/step Wall: 86.1935, 0.00395826/step, 2.72482 hours remaining, 107.867188 MB of memory in use. ENERGY: 21800 713.2573 1858.9150 2043.5414 120.4213 -3.9374 -1072.9760 0.0000 0.0000 2711.4815 6370.7031 299.4907 3659.2216 6402.5931 300.3777 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: 86.9845, 0.0039549/step Wall: 86.9845, 0.0039549/step, 2.72229 hours remaining, 107.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 22000 660.4188 1884.3290 2038.9391 112.9587 -3.9734 -1018.0020 0.0000 0.0000 2694.9408 6369.6110 297.6637 3674.6702 6401.8273 302.7083 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: 87.7746, 0.00395064/step Wall: 87.7746, 0.00395064/step, 2.71914 hours remaining, 107.875000 MB of memory in use. ENERGY: 22200 652.7901 1844.7783 2022.1586 107.8062 -2.8011 -1024.1410 0.0000 0.0000 2720.2042 6320.7955 300.4541 3600.5913 6353.5368 302.7591 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: 88.5658, 0.00395602/step Wall: 88.5658, 0.00395602/step, 2.72262 hours remaining, 107.875000 MB of memory in use. ENERGY: 22400 649.7551 1810.0595 2033.9089 99.3351 -2.6071 -1013.9193 0.0000 0.0000 2717.2410 6293.7733 300.1268 3576.5323 6329.3612 299.3279 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: 89.357, 0.00395611/step Wall: 89.357, 0.00395611/step, 2.72246 hours remaining, 107.875000 MB of memory in use. ENERGY: 22600 704.3845 1863.3087 2020.8581 118.6369 -3.5309 -1039.1079 0.0000 0.0000 2670.9507 6335.5002 295.0139 3664.5495 6366.2544 298.8543 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: 90.1482, 0.00395572/step Wall: 90.1482, 0.00395572/step, 2.72198 hours remaining, 107.875000 MB of memory in use. ENERGY: 22800 665.1808 1860.7289 2047.4118 112.1396 -3.3834 -1075.3478 0.0000 0.0000 2696.0463 6302.7762 297.7858 3606.7299 6336.4001 298.9000 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: 90.9394, 0.00395626/step Wall: 90.9394, 0.00395626/step, 2.72213 hours remaining, 107.875000 MB of memory in use. ENERGY: 23000 651.3920 1849.7616 2014.3167 118.2352 -4.1797 -1017.3851 0.0000 0.0000 2690.8779 6303.0187 297.2150 3612.1407 6333.6607 298.9693 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: 91.7296, 0.00395095/step Wall: 91.7296, 0.00395095/step, 2.71825 hours remaining, 107.875000 MB of memory in use. ENERGY: 23200 670.3640 1808.2401 2099.1560 111.5448 -1.3680 -1067.4112 0.0000 0.0000 2720.1676 6340.6933 300.4501 3620.5257 6375.6933 298.9959 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: 92.5213, 0.00395821/step Wall: 92.5213, 0.00395821/step, 2.72303 hours remaining, 107.875000 MB of memory in use. ENERGY: 23400 658.2501 1841.8701 2045.8336 111.3289 -3.0417 -1063.6903 0.0000 0.0000 2718.4461 6308.9968 300.2599 3590.5506 6342.4346 299.4519 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: 93.3127, 0.00395707/step Wall: 93.3127, 0.00395707/step, 2.72203 hours remaining, 107.875000 MB of memory in use. ENERGY: 23600 641.8435 1818.7474 2025.0027 102.9573 -3.9350 -1025.1109 0.0000 0.0000 2746.0187 6305.5237 303.3054 3559.5050 6339.2893 299.6972 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: 94.1038, 0.00395563/step Wall: 94.1038, 0.00395563/step, 2.72081 hours remaining, 107.878906 MB of memory in use. ENERGY: 23800 677.9249 1862.1548 2001.6711 104.8610 -4.1939 -1051.6525 0.0000 0.0000 2684.7218 6275.4871 296.5350 3590.7654 6306.0209 297.2912 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: 94.8946, 0.00395393/step Wall: 94.8946, 0.00395393/step, 2.71943 hours remaining, 107.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 24000 653.2559 1864.8137 2026.2462 97.1752 -3.2191 -1063.2284 0.0000 0.0000 2707.6081 6282.6516 299.0629 3575.0435 6314.6431 298.3745 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: 95.6845, 0.00394966/step Wall: 95.6845, 0.00394966/step, 2.71627 hours remaining, 107.878906 MB of memory in use. ENERGY: 24200 666.1006 1845.9202 2068.6441 102.5058 -4.1889 -1056.2683 0.0000 0.0000 2678.1438 6300.8573 295.8084 3622.7135 6332.1665 298.6489 LDB: ============= START OF LOAD BALANCING ============== 98.6453 LDB: ============== END OF LOAD BALANCING =============== 98.6453 LDB: =============== DONE WITH MIGRATION ================ 98.6454 LDB: ============= START OF LOAD BALANCING ============== 99.0409 LDB: ============== END OF LOAD BALANCING =============== 99.0409 LDB: =============== DONE WITH MIGRATION ================ 99.041 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: 96.4767, 0.0039608/step Wall: 96.4767, 0.0039608/step, 2.72371 hours remaining, 107.878906 MB of memory in use. ENERGY: 24400 665.4597 1786.7256 2044.3706 116.1643 -2.8666 -1084.9628 0.0000 0.0000 2729.3519 6254.2427 301.4645 3524.8908 6285.0310 295.6817 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: 97.268, 0.00395635/step Wall: 97.268, 0.00395635/step, 2.72043 hours remaining, 107.878906 MB of memory in use. ENERGY: 24600 650.4680 1829.4588 2050.2238 106.1954 -1.8623 -1072.5818 0.0000 0.0000 2651.4262 6213.3281 292.8574 3561.9020 6244.8158 294.4321 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: 98.0593, 0.00395674/step Wall: 98.0593, 0.00395674/step, 2.72048 hours remaining, 107.886719 MB of memory in use. ENERGY: 24800 645.4068 1823.1505 2035.5633 98.2434 -1.7097 -1117.2525 0.0000 0.0000 2762.8608 6246.2626 305.1657 3483.4018 6281.3329 295.3202 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: 98.8513, 0.00396015/step Wall: 98.8513, 0.00396015/step, 2.7226 hours remaining, 107.890625 MB of memory in use. ENERGY: 25000 653.6336 1863.7241 2057.5129 106.2686 -2.1913 -1092.1157 0.0000 0.0000 2644.6701 6231.5021 292.1112 3586.8321 6262.8094 294.5000 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: 99.6432, 0.00395915/step Wall: 99.6432, 0.00395915/step, 2.7217 hours remaining, 107.890625 MB of memory in use. ENERGY: 25200 629.2608 1859.9899 2021.9662 114.6548 -2.0835 -1045.7194 0.0000 0.0000 2639.0567 6217.1255 291.4912 3578.0688 6251.3350 294.3685 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: 100.435, 0.00396032/step Wall: 100.435, 0.00396031/step, 2.72228 hours remaining, 107.890625 MB of memory in use. ENERGY: 25400 680.9350 1860.2294 2015.9796 115.9241 -3.6985 -1097.7936 0.0000 0.0000 2676.3382 6247.9142 295.6090 3571.5760 6281.7596 295.0460 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: 101.228, 0.00396451/step Wall: 101.228, 0.00396452/step, 2.72495 hours remaining, 107.890625 MB of memory in use. ENERGY: 25600 634.8676 1882.1378 1996.5875 103.6727 -3.4408 -1008.2135 0.0000 0.0000 2678.3437 6283.9550 295.8305 3605.6113 6314.4132 297.5493 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: 102.019, 0.00395547/step Wall: 102.019, 0.00395547/step, 2.71851 hours remaining, 107.890625 MB of memory in use. ENERGY: 25800 685.4629 1838.5328 2014.9064 102.2930 -2.4288 -1027.2194 0.0000 0.0000 2669.0088 6280.5558 294.7995 3611.5470 6310.6300 297.9648 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: 102.809, 0.0039485/step Wall: 102.809, 0.0039485/step, 2.7135 hours remaining, 107.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 26000 639.6646 1827.2845 2041.0537 123.9152 -1.8146 -1060.8808 0.0000 0.0000 2682.9612 6252.1837 296.3405 3569.2225 6285.8155 295.4691 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: 103.6, 0.00395612/step Wall: 103.6, 0.00395612/step, 2.71851 hours remaining, 107.890625 MB of memory in use. ENERGY: 26200 640.4848 1856.6324 2026.9875 105.3978 -4.1230 -1064.8468 0.0000 0.0000 2731.4899 6292.0227 301.7007 3560.5328 6326.4158 296.3892 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: 104.391, 0.0039546/step Wall: 104.391, 0.0039546/step, 2.71725 hours remaining, 107.890625 MB of memory in use. ENERGY: 26400 631.5582 1871.0435 2022.2440 108.3929 -2.1840 -1043.1842 0.0000 0.0000 2647.7923 6235.6627 292.4560 3587.8704 6265.9018 295.5105 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: 105.183, 0.00395751/step Wall: 105.183, 0.00395751/step, 2.71903 hours remaining, 107.898438 MB of memory in use. ENERGY: 26600 653.0608 1817.6742 2015.8270 117.6215 -2.2349 -1033.3116 0.0000 0.0000 2706.8097 6275.4465 298.9747 3568.6368 6309.6782 294.3592 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: 105.974, 0.00395571/step Wall: 105.974, 0.00395571/step, 2.71758 hours remaining, 107.906250 MB of memory in use. ENERGY: 26800 672.5093 1900.1779 2034.8089 112.2901 -3.7552 -1062.1169 0.0000 0.0000 2629.8689 6283.7830 290.4763 3653.9141 6316.0107 296.0126 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: 106.763, 0.00394858/step Wall: 106.763, 0.00394858/step, 2.71246 hours remaining, 107.906250 MB of memory in use. ENERGY: 27000 653.2879 1828.0331 2039.5286 123.2091 -3.2235 -1065.7437 0.0000 0.0000 2764.6089 6339.7003 305.3588 3575.0914 6372.3899 297.0879 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: 107.555, 0.00395601/step Wall: 107.555, 0.00395601/step, 2.71734 hours remaining, 107.906250 MB of memory in use. ENERGY: 27200 640.5563 1831.8919 2042.0088 114.7809 -4.4080 -1005.9348 0.0000 0.0000 2718.5787 6337.4738 300.2746 3618.8951 6372.6674 298.5335 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: 108.346, 0.00395486/step Wall: 108.346, 0.00395486/step, 2.71633 hours remaining, 107.906250 MB of memory in use. ENERGY: 27400 627.1542 1872.5528 2055.3310 122.0545 -3.0182 -1027.8755 0.0000 0.0000 2698.6310 6344.8297 298.0713 3646.1988 6377.2585 300.1185 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: 109.137, 0.00395613/step Wall: 109.137, 0.00395613/step, 2.71698 hours remaining, 107.906250 MB of memory in use. ENERGY: 27600 642.2093 1814.2432 2026.9057 102.1870 -2.8048 -1039.5427 0.0000 0.0000 2762.3860 6305.5837 305.1132 3543.1977 6342.1649 299.2020 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: 109.928, 0.00395562/step Wall: 109.928, 0.00395562/step, 2.71641 hours remaining, 107.906250 MB of memory in use. ENERGY: 27800 687.0495 1851.7496 2011.6931 112.0438 -3.4079 -1080.3464 0.0000 0.0000 2708.3636 6287.1453 299.1463 3578.7817 6322.1875 298.1214 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: 110.718, 0.00395181/step Wall: 110.718, 0.00395181/step, 2.71358 hours remaining, 107.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 28000 641.4640 1829.4290 2029.9049 107.3376 -2.1139 -995.8542 0.0000 0.0000 2668.5837 6278.7510 294.7525 3610.1673 6313.9227 297.3856 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: 111.51, 0.00396034/step Wall: 111.51, 0.00396034/step, 2.71921 hours remaining, 107.906250 MB of memory in use. ENERGY: 28200 675.5712 1828.9739 2018.1445 107.9630 -3.3657 -1033.1406 0.0000 0.0000 2710.7828 6304.9291 299.4135 3594.1463 6338.2943 296.1216 LDB: ============= START OF LOAD BALANCING ============== 114.471 LDB: ============== END OF LOAD BALANCING =============== 114.471 LDB: =============== DONE WITH MIGRATION ================ 114.471 LDB: ============= START OF LOAD BALANCING ============== 114.867 LDB: ============== END OF LOAD BALANCING =============== 114.867 LDB: =============== DONE WITH MIGRATION ================ 114.867 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: 112.303, 0.00396281/step Wall: 112.303, 0.00396281/step, 2.72069 hours remaining, 107.906250 MB of memory in use. ENERGY: 28400 654.7828 1821.3644 2032.0172 113.9452 -1.9180 -1036.2982 0.0000 0.0000 2677.6109 6261.5044 295.7496 3583.8935 6294.8232 295.3993 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: 113.095, 0.00395981/step Wall: 113.095, 0.00395981/step, 2.71841 hours remaining, 107.906250 MB of memory in use. ENERGY: 28600 640.0189 1848.7398 2012.5303 97.4600 -4.4261 -1045.6051 0.0000 0.0000 2694.1294 6242.8471 297.5741 3548.7177 6277.1641 295.2234 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: 113.886, 0.00395688/step Wall: 113.886, 0.00395688/step, 2.71618 hours remaining, 107.906250 MB of memory in use. ENERGY: 28800 666.2971 1891.0757 2023.3944 104.8231 -1.9780 -1049.5429 0.0000 0.0000 2665.6740 6299.7434 294.4311 3634.0694 6329.4058 295.4785 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: 114.676, 0.00395076/step Wall: 114.676, 0.00395076/step, 2.71176 hours remaining, 107.906250 MB of memory in use. ENERGY: 29000 660.8836 1842.8813 2019.5285 113.0316 -2.5676 -1013.7685 0.0000 0.0000 2693.4060 6313.3949 297.4942 3619.9890 6345.3582 297.5451 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: 115.468, 0.00395868/step Wall: 115.468, 0.00395868/step, 2.71697 hours remaining, 107.906250 MB of memory in use. ENERGY: 29200 686.0278 1799.6726 2040.8767 105.7050 -3.0013 -1036.3319 0.0000 0.0000 2732.7675 6325.7164 301.8418 3592.9489 6358.8965 297.4030 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: 116.26, 0.00395791/step Wall: 116.26, 0.00395791/step, 2.71622 hours remaining, 107.906250 MB of memory in use. ENERGY: 29400 637.7515 1869.9210 2052.7690 102.9218 -2.2539 -1053.3416 0.0000 0.0000 2757.2739 6365.0417 304.5486 3607.7678 6399.2431 300.9582 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: 117.052, 0.00396006/step Wall: 117.052, 0.00396006/step, 2.71748 hours remaining, 107.906250 MB of memory in use. ENERGY: 29600 692.0527 1811.2614 2062.4503 115.9010 -3.0983 -1044.4499 0.0000 0.0000 2802.9991 6437.1163 309.5991 3634.1172 6469.4879 304.3210 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: 117.842, 0.00395285/step Wall: 117.842, 0.00395285/step, 2.71232 hours remaining, 107.964844 MB of memory in use. ENERGY: 29800 698.6857 1851.0318 2028.2138 101.4675 -2.7941 -1032.4441 0.0000 0.0000 2793.9055 6438.0662 308.5946 3644.1607 6473.8371 305.8954 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: 118.635, 0.00396112/step Wall: 118.635, 0.00396112/step, 2.71777 hours remaining, 108.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 30000 653.1489 1845.3935 2034.7160 105.7711 -2.7981 -1015.1051 0.0000 0.0000 2789.0513 6410.1776 308.0585 3621.1263 6443.9935 304.8320 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 30000 WRITING COORDINATES TO DCD FILE MD.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, 108.203 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, 108.203 MB of memory in use 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: 119.463, 0.00414339/step Wall: 119.463, 0.00414339/step, 2.84259 hours remaining, 108.203125 MB of memory in use. ENERGY: 30200 676.8154 1871.7012 2053.3096 115.2358 -1.9388 -987.9480 0.0000 0.0000 2678.8617 6406.0370 295.8877 3727.1752 6436.7971 304.0135 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: 120.255, 0.00395747/step Wall: 120.255, 0.00395747/step, 2.71483 hours remaining, 108.203125 MB of memory in use. ENERGY: 30400 653.0248 1898.8448 2060.7591 110.7908 -2.4214 -1034.7070 0.0000 0.0000 2696.7062 6382.9973 297.8587 3686.2910 6415.9642 303.3462 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: 121.047, 0.00395905/step Wall: 121.047, 0.00395905/step, 2.71569 hours remaining, 108.203125 MB of memory in use. ENERGY: 30600 657.2995 1848.4570 2028.4118 98.8372 -0.4577 -1021.9764 0.0000 0.0000 2746.6108 6357.1822 303.3708 3610.5714 6388.3476 302.5077 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: 121.837, 0.00395239/step Wall: 121.837, 0.00395239/step, 2.7109 hours remaining, 108.203125 MB of memory in use. ENERGY: 30800 642.6475 1828.4978 2016.2476 101.5429 -1.0296 -1013.9963 0.0000 0.0000 2735.9802 6309.8901 302.1966 3573.9100 6342.2885 299.6243 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: 122.629, 0.00395968/step Wall: 122.629, 0.00395968/step, 2.71568 hours remaining, 108.203125 MB of memory in use. ENERGY: 31000 658.7669 1869.7508 2033.8190 103.0592 -1.7227 -1077.4984 0.0000 0.0000 2691.7495 6277.9242 297.3112 3586.1748 6311.5492 295.6320 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: 123.421, 0.003958/step Wall: 123.421, 0.003958/step, 2.71431 hours remaining, 108.203125 MB of memory in use. ENERGY: 31200 704.5427 1859.1332 2053.5366 113.5283 -1.7921 -1056.3997 0.0000 0.0000 2662.2384 6334.7874 294.0516 3672.5490 6364.3455 297.1702 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: 124.212, 0.00395724/step Wall: 124.212, 0.00395724/step, 2.71357 hours remaining, 108.203125 MB of memory in use. ENERGY: 31400 668.0266 1841.0024 2071.8071 102.7104 -1.8477 -1035.6556 0.0000 0.0000 2744.5712 6390.6143 303.1455 3646.0431 6425.5275 300.5926 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: 125.003, 0.00395503/step Wall: 125.003, 0.00395503/step, 2.71183 hours remaining, 108.203125 MB of memory in use. ENERGY: 31600 693.4093 1850.5670 2060.5648 109.2432 -1.1787 -1033.7078 0.0000 0.0000 2726.6206 6405.5184 301.1628 3678.8978 6438.4304 302.8932 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: 125.793, 0.00395181/step Wall: 125.793, 0.00395181/step, 2.7094 hours remaining, 108.203125 MB of memory in use. ENERGY: 31800 680.2721 1861.8154 2038.1574 113.3643 -2.3416 -1023.8437 0.0000 0.0000 2704.1685 6371.5924 298.6829 3667.4239 6402.8625 300.8241 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: 126.585, 0.00395856/step Wall: 126.585, 0.00395856/step, 2.71381 hours remaining, 108.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 32000 679.0304 1888.0471 2021.5816 111.5447 -1.9729 -1064.6314 0.0000 0.0000 2720.4691 6354.0686 300.4834 3633.5995 6386.7364 300.5141 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: 127.377, 0.00395801/step Wall: 127.377, 0.003958/step, 2.71321 hours remaining, 108.203125 MB of memory in use. ENERGY: 32200 685.8408 1868.7985 2017.1293 114.1605 -2.0862 -1048.0359 0.0000 0.0000 2665.9319 6301.7388 294.4596 3635.8070 6331.2520 300.7838 LDB: ============= START OF LOAD BALANCING ============== 130.349 LDB: ============== END OF LOAD BALANCING =============== 130.349 LDB: =============== DONE WITH MIGRATION ================ 130.349 LDB: ============= START OF LOAD BALANCING ============== 130.749 LDB: ============== END OF LOAD BALANCING =============== 130.749 LDB: =============== DONE WITH MIGRATION ================ 130.749 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: 128.185, 0.00404025/step Wall: 128.185, 0.00404025/step, 2.76937 hours remaining, 108.218750 MB of memory in use. ENERGY: 32400 649.1205 1846.3268 2014.1085 111.5695 -2.1872 -1061.5090 0.0000 0.0000 2723.1473 6280.5763 300.7792 3557.4290 6315.0657 299.3333 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: 128.977, 0.00395886/step Wall: 128.977, 0.00395887/step, 2.71337 hours remaining, 108.218750 MB of memory in use. ENERGY: 32600 649.4844 1835.2084 2040.5674 100.7498 -2.8495 -1044.6327 0.0000 0.0000 2723.5535 6302.0814 300.8241 3578.5279 6336.1241 297.2830 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: 129.767, 0.00395406/step Wall: 129.767, 0.00395406/step, 2.70985 hours remaining, 108.218750 MB of memory in use. ENERGY: 32800 646.6197 1906.8717 2023.3189 103.7864 -2.7750 -1039.1671 0.0000 0.0000 2681.3783 6320.0327 296.1657 3638.6545 6352.6718 298.0451 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: 130.559, 0.00395653/step Wall: 130.559, 0.00395653/step, 2.71133 hours remaining, 108.218750 MB of memory in use. ENERGY: 33000 630.0981 1872.9597 2032.6251 109.9690 -2.5559 -1080.4059 0.0000 0.0000 2716.1246 6278.8147 300.0035 3562.6901 6315.7784 299.0088 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: 131.35, 0.00395663/step Wall: 131.35, 0.00395662/step, 2.71116 hours remaining, 108.218750 MB of memory in use. ENERGY: 33200 666.5196 1886.8445 2047.8796 99.2386 -4.5590 -1057.9959 0.0000 0.0000 2699.7577 6337.6851 298.1958 3637.9274 6368.9958 299.7806 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: 132.14, 0.00395182/step Wall: 132.14, 0.00395182/step, 2.70766 hours remaining, 108.218750 MB of memory in use. ENERGY: 33400 673.0260 1875.6555 2047.7186 97.6579 -4.3613 -1044.0190 0.0000 0.0000 2700.8515 6346.5290 298.3166 3645.6775 6378.8889 298.5719 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: 132.931, 0.00395149/step Wall: 132.931, 0.00395149/step, 2.70721 hours remaining, 108.218750 MB of memory in use. ENERGY: 33600 641.0660 1891.2801 2039.3183 106.9974 -3.4970 -1053.0480 0.0000 0.0000 2748.1610 6370.2778 303.5420 3622.1168 6404.1566 299.7825 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: 133.72, 0.00394858/step Wall: 133.72, 0.00394858/step, 2.70499 hours remaining, 108.218750 MB of memory in use. ENERGY: 33800 672.6897 1880.5151 2014.7989 119.1421 -2.5328 -1067.5876 0.0000 0.0000 2769.9379 6386.9633 305.9474 3617.0254 6421.9496 303.4918 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: 134.511, 0.00395281/step Wall: 134.511, 0.00395281/step, 2.70768 hours remaining, 108.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 34000 648.6955 1896.5903 2028.5249 113.9552 -1.9402 -1011.8296 0.0000 0.0000 2691.0227 6365.0187 297.2310 3673.9961 6394.0005 301.7184 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: 135.301, 0.00395248/step Wall: 135.301, 0.00395248/step, 2.70723 hours remaining, 108.218750 MB of memory in use. ENERGY: 34200 663.0294 1853.1776 2044.4250 101.7933 -1.9528 -1052.2987 0.0000 0.0000 2732.9633 6341.1371 301.8634 3608.1739 6374.5026 300.9462 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: 136.092, 0.0039535/step Wall: 136.092, 0.0039535/step, 2.7077 hours remaining, 108.218750 MB of memory in use. ENERGY: 34400 658.9562 1882.7139 2028.1768 112.6434 -3.2433 -1064.4153 0.0000 0.0000 2698.6243 6313.4561 298.0706 3614.8317 6346.3554 299.0242 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: 136.882, 0.00394771/step Wall: 136.882, 0.00394771/step, 2.70352 hours remaining, 108.226562 MB of memory in use. ENERGY: 34600 656.6681 1860.4426 2028.7112 113.5976 -2.4525 -1027.5525 0.0000 0.0000 2712.8214 6342.2358 299.6387 3629.4144 6377.2630 299.5881 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: 137.682, 0.00400338/step Wall: 137.682, 0.00400338/step, 2.74143 hours remaining, 110.019531 MB of memory in use. ENERGY: 34800 685.0485 1840.3980 2056.7154 99.2661 -3.1694 -1034.5547 0.0000 0.0000 2635.6490 6279.3530 291.1148 3643.7040 6313.3717 296.6280 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: 138.477, 0.00397419/step Wall: 138.477, 0.00397419/step, 2.72122 hours remaining, 110.019531 MB of memory in use. ENERGY: 35000 646.1924 1812.0953 2038.9648 106.2615 -3.4052 -1057.6226 0.0000 0.0000 2697.3991 6239.8854 297.9352 3542.4863 6271.2248 294.6833 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: 139.27, 0.00396458/step Wall: 139.27, 0.00396458/step, 2.71442 hours remaining, 110.019531 MB of memory in use. ENERGY: 35200 657.8352 1824.7925 2059.1744 119.0455 -2.8590 -1083.1338 0.0000 0.0000 2692.3146 6267.1696 297.3737 3574.8549 6301.3056 294.3692 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: 140.059, 0.00394685/step Wall: 140.059, 0.00394685/step, 2.70206 hours remaining, 110.019531 MB of memory in use. ENERGY: 35400 653.6725 1888.6907 2009.2093 105.2271 -4.0273 -1029.6971 0.0000 0.0000 2689.3834 6312.4586 297.0499 3623.0752 6346.3359 297.9593 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: 140.847, 0.00393893/step Wall: 140.847, 0.00393893/step, 2.69642 hours remaining, 110.019531 MB of memory in use. ENERGY: 35600 647.0945 1868.5214 1998.2253 112.5914 -3.1519 -1022.6004 0.0000 0.0000 2686.7406 6287.4209 296.7580 3600.6803 6318.4091 298.3977 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: 141.637, 0.003947/step Wall: 141.637, 0.003947/step, 2.70172 hours remaining, 110.019531 MB of memory in use. ENERGY: 35800 653.3575 1876.6161 2058.1412 105.7139 -2.8688 -1057.4813 0.0000 0.0000 2658.9127 6292.3914 293.6843 3633.4787 6324.6332 296.3294 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: 142.426, 0.00394684/step Wall: 142.426, 0.00394684/step, 2.7014 hours remaining, 110.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 36000 641.9891 1872.1916 2018.0125 96.2736 -3.2778 -1057.1021 0.0000 0.0000 2694.1949 6262.2818 297.5813 3568.0869 6296.0859 297.6073 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: 143.215, 0.00394699/step Wall: 143.215, 0.00394699/step, 2.70128 hours remaining, 110.019531 MB of memory in use. ENERGY: 36200 657.5042 1872.3046 2010.9607 103.0275 -3.9437 -1073.1486 0.0000 0.0000 2690.0999 6256.8047 297.1290 3566.7047 6290.5429 294.7268 LDB: ============= START OF LOAD BALANCING ============== 146.174 LDB: ============== END OF LOAD BALANCING =============== 146.174 LDB: =============== DONE WITH MIGRATION ================ 146.174 LDB: ============= START OF LOAD BALANCING ============== 146.57 LDB: ============== END OF LOAD BALANCING =============== 146.57 LDB: =============== DONE WITH MIGRATION ================ 146.57 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: 144.005, 0.0039504/step Wall: 144.005, 0.0039504/step, 2.70339 hours remaining, 110.019531 MB of memory in use. ENERGY: 36400 656.5466 1790.5193 2016.3737 104.5765 -2.4863 -1033.3808 0.0000 0.0000 2681.3259 6213.4748 296.1599 3532.1489 6245.9535 295.4718 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: 144.793, 0.00393937/step Wall: 144.793, 0.00393937/step, 2.69562 hours remaining, 110.019531 MB of memory in use. ENERGY: 36600 625.4003 1858.3366 2032.9866 103.1387 -4.5731 -1031.4954 0.0000 0.0000 2600.9615 6184.7553 287.2834 3583.7938 6218.5889 292.6965 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: 145.583, 0.00394796/step Wall: 145.583, 0.00394796/step, 2.70129 hours remaining, 110.019531 MB of memory in use. ENERGY: 36800 625.6095 1815.6664 2004.3044 100.5815 -3.8375 -1043.7351 0.0000 0.0000 2698.4013 6196.9906 298.0459 3498.5893 6228.9726 293.3821 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: 146.372, 0.00394521/step Wall: 146.372, 0.00394521/step, 2.69918 hours remaining, 110.019531 MB of memory in use. ENERGY: 37000 637.5698 1883.1597 2012.8910 96.8350 -4.0277 -1059.6112 0.0000 0.0000 2704.9922 6271.8088 298.7739 3566.8166 6301.1331 293.0803 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: 147.161, 0.00394569/step Wall: 147.161, 0.00394569/step, 2.69929 hours remaining, 110.019531 MB of memory in use. ENERGY: 37200 636.0323 1847.5008 2008.9096 112.5350 -4.0760 -1025.8948 0.0000 0.0000 2705.3290 6280.3359 298.8111 3575.0069 6314.5403 297.7216 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: 147.95, 0.00394272/step Wall: 147.95, 0.00394272/step, 2.69704 hours remaining, 110.019531 MB of memory in use. ENERGY: 37400 667.4243 1861.1795 2037.4570 102.1629 -3.8535 -1017.6018 0.0000 0.0000 2636.6902 6283.4586 291.2298 3646.7684 6314.2948 297.1528 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: 148.737, 0.00393878/step Wall: 148.737, 0.00393878/step, 2.69413 hours remaining, 110.019531 MB of memory in use. ENERGY: 37600 664.1707 1884.6800 2027.3691 102.0764 -3.2979 -1054.3887 0.0000 0.0000 2670.3165 6290.9262 294.9439 3620.6097 6322.4497 297.5289 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: 149.527, 0.00394598/step Wall: 149.527, 0.00394598/step, 2.69883 hours remaining, 110.019531 MB of memory in use. ENERGY: 37800 693.3037 1846.5245 2051.5241 111.5782 -3.5382 -1073.1816 0.0000 0.0000 2635.8302 6262.0410 291.1348 3626.2107 6291.6356 294.7562 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: 150.315, 0.00394405/step Wall: 150.315, 0.00394405/step, 2.6973 hours remaining, 110.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 38000 637.7969 1878.9888 2046.1319 101.5634 -4.1926 -1085.5640 0.0000 0.0000 2668.0445 6242.7689 294.6929 3574.7244 6274.5330 295.0329 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: 151.105, 0.00394932/step Wall: 151.105, 0.00394932/step, 2.70067 hours remaining, 110.019531 MB of memory in use. ENERGY: 38200 666.6179 1831.1449 2034.3728 105.0040 -3.2828 -1069.1194 0.0000 0.0000 2670.7723 6235.5098 294.9942 3564.7375 6266.7037 295.9819 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: 151.893, 0.00393912/step Wall: 151.893, 0.00393912/step, 2.69348 hours remaining, 110.019531 MB of memory in use. ENERGY: 38400 649.6446 1836.0294 2022.4853 112.8170 -4.1428 -1072.9024 0.0000 0.0000 2694.2601 6238.1911 297.5885 3543.9311 6273.7355 294.2259 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: 152.682, 0.00394637/step Wall: 152.682, 0.00394637/step, 2.69822 hours remaining, 110.019531 MB of memory in use. ENERGY: 38600 638.1106 1861.6162 2036.7595 110.7525 -4.2089 -1027.9347 0.0000 0.0000 2711.2057 6326.3008 299.4602 3615.0951 6360.8035 298.9677 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: 153.472, 0.00394677/step Wall: 153.472, 0.00394677/step, 2.69827 hours remaining, 110.019531 MB of memory in use. ENERGY: 38800 660.9851 1856.1809 2045.8788 95.9551 -4.6024 -1040.1193 0.0000 0.0000 2746.2974 6360.5757 303.3362 3614.2783 6392.8869 300.7893 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: 154.261, 0.00394485/step Wall: 154.261, 0.00394485/step, 2.69675 hours remaining, 110.019531 MB of memory in use. ENERGY: 39000 677.3134 1895.3561 2050.2273 115.9578 -3.3983 -1072.0743 0.0000 0.0000 2729.4021 6392.7842 301.4701 3663.3821 6428.3773 302.8439 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: 155.05, 0.00394684/step Wall: 155.05, 0.00394685/step, 2.69789 hours remaining, 110.019531 MB of memory in use. ENERGY: 39200 670.6413 1850.3652 2036.1402 97.6256 -4.1109 -1043.3436 0.0000 0.0000 2747.2669 6354.5846 303.4433 3607.3178 6386.1549 301.6552 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: 155.838, 0.00393892/step Wall: 155.838, 0.00393892/step, 2.69225 hours remaining, 110.019531 MB of memory in use. ENERGY: 39400 670.0360 1872.4979 2055.1655 112.4075 -2.9342 -1027.3505 0.0000 0.0000 2718.1044 6397.9266 300.2222 3679.8222 6427.7515 302.2279 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: 156.627, 0.00394504/step Wall: 156.627, 0.00394504/step, 2.69621 hours remaining, 110.019531 MB of memory in use. ENERGY: 39600 646.1380 1885.0763 2055.1151 115.3234 -1.9379 -1061.1232 0.0000 0.0000 2662.3312 6300.9229 294.0619 3638.5917 6331.4958 300.6332 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: 157.416, 0.00394757/step Wall: 157.416, 0.00394758/step, 2.69773 hours remaining, 110.019531 MB of memory in use. ENERGY: 39800 652.0378 1852.5966 2038.4326 108.5522 -2.9467 -1073.0383 0.0000 0.0000 2699.4923 6275.1266 298.1664 3575.6343 6308.8607 299.3766 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: 158.206, 0.00394789/step Wall: 158.206, 0.00394789/step, 2.69773 hours remaining, 110.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 40000 703.7692 1798.1586 2036.4246 113.5615 -2.0247 -1065.4934 0.0000 0.0000 2710.3424 6294.7382 299.3649 3584.3958 6329.0840 297.9009 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 40000 WRITING COORDINATES TO DCD FILE MD.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, 110.020 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, 110.020 MB of memory in use 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: 159.03, 0.00411999/step Wall: 159.03, 0.00411999/step, 2.8151 hours remaining, 110.019531 MB of memory in use. ENERGY: 40200 677.8774 1837.8935 2064.1286 110.7881 -3.0740 -1064.8580 0.0000 0.0000 2701.8078 6324.5634 298.4222 3622.7556 6354.9357 298.2274 LDB: ============= START OF LOAD BALANCING ============== 161.988 LDB: ============== END OF LOAD BALANCING =============== 161.988 LDB: =============== DONE WITH MIGRATION ================ 161.988 LDB: ============= START OF LOAD BALANCING ============== 162.384 LDB: ============== END OF LOAD BALANCING =============== 162.384 LDB: =============== DONE WITH MIGRATION ================ 162.384 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: 159.82, 0.00394822/step Wall: 159.82, 0.00394822/step, 2.69751 hours remaining, 110.019531 MB of memory in use. ENERGY: 40400 673.7492 1903.8884 2058.2520 120.5131 -3.5175 -1103.6975 0.0000 0.0000 2739.2654 6388.4532 302.5595 3649.1878 6421.8545 301.9372 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: 160.609, 0.00394875/step Wall: 160.609, 0.00394875/step, 2.69765 hours remaining, 110.019531 MB of memory in use. ENERGY: 40600 686.3804 1856.9509 2033.5362 117.6433 -3.1517 -1090.6500 0.0000 0.0000 2720.2143 6320.9234 300.4552 3600.7091 6356.5155 300.8586 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: 161.4, 0.00395212/step Wall: 161.4, 0.00395212/step, 2.69974 hours remaining, 110.019531 MB of memory in use. ENERGY: 40800 675.0767 1781.8090 2058.8071 103.1496 -2.6286 -1075.4647 0.0000 0.0000 2786.1680 6326.9170 307.7400 3540.7491 6362.4701 301.1192 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: 162.189, 0.00394514/step Wall: 162.189, 0.00394514/step, 2.69475 hours remaining, 110.019531 MB of memory in use. ENERGY: 41000 669.3985 1855.7436 2060.4898 107.4114 -3.3983 -1083.2711 0.0000 0.0000 2700.7630 6307.1369 298.3068 3606.3738 6343.0599 300.6901 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: 162.978, 0.00394567/step Wall: 162.978, 0.00394567/step, 2.69489 hours remaining, 110.019531 MB of memory in use. ENERGY: 41200 705.6057 1864.9750 2011.9832 115.0123 -2.0621 -1050.0930 0.0000 0.0000 2698.3089 6343.7300 298.0357 3645.4211 6373.5831 300.3200 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: 163.769, 0.00395422/step Wall: 163.769, 0.00395422/step, 2.70051 hours remaining, 110.019531 MB of memory in use. ENERGY: 41400 666.4614 1828.3755 2044.5046 111.1542 -2.8805 -982.1683 0.0000 0.0000 2709.9160 6375.3630 299.3178 3665.4470 6409.4978 301.9246 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: 164.559, 0.00395337/step Wall: 164.559, 0.00395337/step, 2.69971 hours remaining, 110.019531 MB of memory in use. ENERGY: 41600 674.5877 1853.9423 2062.0221 120.2311 -1.7606 -1056.9594 0.0000 0.0000 2693.7205 6345.7837 297.5289 3652.0632 6377.0579 302.2759 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: 165.35, 0.00395288/step Wall: 165.35, 0.00395288/step, 2.69916 hours remaining, 110.019531 MB of memory in use. ENERGY: 41800 676.9074 1846.4841 2046.4426 109.4360 -2.7101 -1016.9672 0.0000 0.0000 2722.8762 6382.4691 300.7493 3659.5928 6417.0849 301.4236 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: 166.139, 0.00394308/step Wall: 166.139, 0.00394308/step, 2.69225 hours remaining, 110.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 42000 679.7486 1871.3105 2013.7476 116.7013 -2.0706 -1065.8512 0.0000 0.0000 2726.5812 6340.1673 301.1585 3613.5862 6375.2275 299.9649 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: 166.926, 0.00393851/step Wall: 166.926, 0.00393851/step, 2.68891 hours remaining, 110.019531 MB of memory in use. ENERGY: 42200 666.4441 1828.2021 2063.0264 114.4108 -2.0086 -1027.2672 0.0000 0.0000 2715.8569 6358.6643 299.9740 3642.8075 6392.9081 300.9349 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: 167.716, 0.00394598/step Wall: 167.716, 0.00394598/step, 2.69379 hours remaining, 110.019531 MB of memory in use. ENERGY: 42400 652.4222 1843.2665 2047.2053 102.9612 -2.3308 -1075.5044 0.0000 0.0000 2692.2629 6260.2830 297.3679 3568.0200 6294.3275 299.3761 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: 168.504, 0.00394451/step Wall: 168.504, 0.00394451/step, 2.69257 hours remaining, 110.019531 MB of memory in use. ENERGY: 42600 648.0981 1868.6681 2035.2801 104.9203 -4.0961 -1042.5238 0.0000 0.0000 2643.1482 6253.4948 291.9431 3610.3466 6286.2400 295.3604 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: 169.294, 0.00394565/step Wall: 169.294, 0.00394565/step, 2.69313 hours remaining, 110.019531 MB of memory in use. ENERGY: 42800 620.0958 1850.2160 2006.1876 114.0483 -0.9275 -1041.4523 0.0000 0.0000 2693.6585 6241.8263 297.5221 3548.1678 6274.1898 296.3026 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: 170.083, 0.00394476/step Wall: 170.083, 0.00394476/step, 2.6923 hours remaining, 110.019531 MB of memory in use. ENERGY: 43000 635.9318 1863.6874 2029.2213 115.4008 -1.4861 -1057.2578 0.0000 0.0000 2699.5710 6285.0684 298.1751 3585.4974 6316.1779 297.6193 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: 170.87, 0.00393957/step Wall: 170.87, 0.00393957/step, 2.68854 hours remaining, 110.019531 MB of memory in use. ENERGY: 43200 625.6199 1912.6305 2024.8529 117.1380 -1.7643 -1036.0127 0.0000 0.0000 2688.9059 6331.3702 296.9971 3642.4643 6364.4928 298.7227 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: 171.66, 0.00394625/step Wall: 171.66, 0.00394625/step, 2.69288 hours remaining, 110.019531 MB of memory in use. ENERGY: 43400 659.5478 1864.6722 2037.1235 120.6658 -2.2429 -1055.4442 0.0000 0.0000 2726.9211 6351.2433 301.1960 3624.3222 6385.4731 300.4354 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: 172.449, 0.00394526/step Wall: 172.449, 0.00394526/step, 2.69198 hours remaining, 110.019531 MB of memory in use. ENERGY: 43600 648.3718 1858.5512 2048.0279 114.7521 -0.9999 -1047.9372 0.0000 0.0000 2694.5388 6315.3046 297.6193 3620.7658 6347.4897 300.0267 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: 173.238, 0.00394667/step Wall: 173.238, 0.00394667/step, 2.69272 hours remaining, 110.019531 MB of memory in use. ENERGY: 43800 659.7479 1844.2070 2040.5107 116.8299 -3.0238 -1046.1262 0.0000 0.0000 2698.7866 6310.9321 298.0885 3612.1455 6344.2249 298.3830 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: 174.027, 0.00394524/step Wall: 174.027, 0.00394524/step, 2.69153 hours remaining, 110.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 44000 641.6320 1819.2404 2057.3700 101.8954 -0.2004 -1026.4810 0.0000 0.0000 2750.0658 6343.5223 303.7524 3593.4565 6375.2148 300.0910 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: 174.815, 0.00393915/step Wall: 174.815, 0.00393916/step, 2.68716 hours remaining, 110.019531 MB of memory in use. ENERGY: 44200 661.1746 1855.7682 2057.4789 97.6567 -1.7995 -1053.5920 0.0000 0.0000 2735.4087 6352.0956 302.1335 3616.6869 6384.6460 301.1433 LDB: ============= START OF LOAD BALANCING ============== 177.775 LDB: ============== END OF LOAD BALANCING =============== 177.775 LDB: =============== DONE WITH MIGRATION ================ 177.775 LDB: ============= START OF LOAD BALANCING ============== 178.17 LDB: ============== END OF LOAD BALANCING =============== 178.17 LDB: =============== DONE WITH MIGRATION ================ 178.17 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: 175.606, 0.00395309/step Wall: 175.606, 0.00395309/step, 2.69645 hours remaining, 110.019531 MB of memory in use. ENERGY: 44400 637.8660 1868.0824 2053.2371 100.6189 -1.6981 -1018.9015 0.0000 0.0000 2691.1775 6330.3824 297.2481 3639.2049 6365.9416 300.6014 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: 176.395, 0.00394646/step Wall: 176.395, 0.00394646/step, 2.69171 hours remaining, 110.019531 MB of memory in use. ENERGY: 44600 651.7652 1796.3170 2043.0277 96.7448 -1.1785 -1001.0000 0.0000 0.0000 2726.7429 6312.4192 301.1763 3585.6763 6346.6159 299.5681 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: 177.184, 0.00394688/step Wall: 177.184, 0.00394687/step, 2.69176 hours remaining, 110.019531 MB of memory in use. ENERGY: 44800 669.6835 1826.5522 2005.0654 118.4863 -1.6001 -1047.7255 0.0000 0.0000 2764.4250 6334.8869 305.3384 3570.4619 6367.9462 298.6445 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: 177.972, 0.00393999/step Wall: 177.972, 0.00394/step, 2.68686 hours remaining, 110.019531 MB of memory in use. ENERGY: 45000 655.3322 1903.1421 2037.3934 104.6955 -1.7633 -1041.4400 0.0000 0.0000 2701.4546 6358.8145 298.3832 3657.3599 6389.5836 301.2664 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: 178.763, 0.0039536/step Wall: 178.763, 0.0039536/step, 2.69591 hours remaining, 110.019531 MB of memory in use. ENERGY: 45200 637.4479 1809.4863 2035.9364 104.9248 -1.1651 -1009.3119 0.0000 0.0000 2758.4009 6335.7193 304.6731 3577.3184 6370.4105 299.4298 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: 179.553, 0.00394796/step Wall: 179.553, 0.00394796/step, 2.69185 hours remaining, 110.019531 MB of memory in use. ENERGY: 45400 655.0658 1852.5610 2031.9873 106.5735 -1.7423 -1020.6924 0.0000 0.0000 2714.6477 6338.4006 299.8404 3623.7530 6372.2256 298.6427 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: 180.342, 0.00394479/step Wall: 180.342, 0.00394479/step, 2.68947 hours remaining, 110.035156 MB of memory in use. ENERGY: 45600 642.2656 1828.7451 2068.7087 113.8926 -1.0787 -1044.4996 0.0000 0.0000 2737.5006 6345.5344 302.3646 3608.0337 6378.7186 300.2268 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: 181.131, 0.0039453/step Wall: 181.131, 0.0039453/step, 2.6896 hours remaining, 110.035156 MB of memory in use. ENERGY: 45800 638.6346 1878.0709 2066.9660 115.3007 0.2515 -1068.6892 0.0000 0.0000 2712.6152 6343.1497 299.6159 3630.5345 6377.5832 301.0914 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: 181.919, 0.00394017/step Wall: 181.919, 0.00394017/step, 2.68588 hours remaining, 110.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 46000 660.4798 1829.0522 2038.6338 111.2282 -0.5051 -1068.3487 0.0000 0.0000 2738.1768 6308.7168 302.4393 3570.5400 6341.7683 299.9969 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: 182.707, 0.00394301/step Wall: 182.707, 0.00394302/step, 2.6876 hours remaining, 110.035156 MB of memory in use. ENERGY: 46200 657.4008 1862.4800 2029.5000 99.5437 -1.1736 -1027.1980 0.0000 0.0000 2655.8574 6276.4104 293.3468 3620.5530 6307.5500 299.8654 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: 183.496, 0.00394294/step Wall: 183.496, 0.00394294/step, 2.68733 hours remaining, 110.035156 MB of memory in use. ENERGY: 46400 615.2604 1876.6723 2025.2646 122.4053 -0.7151 -1045.2064 0.0000 0.0000 2708.9788 6302.6599 299.2143 3593.6811 6336.7925 297.7002 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: 184.285, 0.00394403/step Wall: 184.285, 0.00394403/step, 2.68786 hours remaining, 110.035156 MB of memory in use. ENERGY: 46600 674.3001 1794.0048 2042.5241 103.3017 -0.6299 -1041.1018 0.0000 0.0000 2719.4614 6291.8604 300.3721 3572.3990 6325.7511 297.8176 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: 185.074, 0.00394545/step Wall: 185.074, 0.00394545/step, 2.6886 hours remaining, 110.035156 MB of memory in use. ENERGY: 46800 648.4018 1850.1052 2009.5567 117.1752 -0.1854 -1035.7985 0.0000 0.0000 2685.6975 6274.9525 296.6428 3589.2550 6307.6690 297.4636 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: 185.862, 0.00394139/step Wall: 185.862, 0.00394139/step, 2.68562 hours remaining, 110.035156 MB of memory in use. ENERGY: 47000 718.1205 1840.6999 2018.0104 118.0198 -0.8085 -1070.4445 0.0000 0.0000 2711.0202 6334.6179 299.4397 3623.5977 6366.2702 298.9944 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: 186.651, 0.00394472/step Wall: 186.651, 0.00394472/step, 2.68767 hours remaining, 110.035156 MB of memory in use. ENERGY: 47200 666.6366 1837.7563 2019.3969 110.2537 -0.6963 -1040.5212 0.0000 0.0000 2727.8928 6320.7188 301.3034 3592.8260 6355.8855 299.8083 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: 187.44, 0.00394673/step Wall: 187.44, 0.00394673/step, 2.68882 hours remaining, 110.039062 MB of memory in use. ENERGY: 47400 636.6929 1828.6588 2003.9689 102.4552 -0.4770 -1014.2728 0.0000 0.0000 2682.1538 6239.1799 296.2514 3557.0261 6273.0015 299.7408 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: 188.229, 0.00394465/step Wall: 188.229, 0.00394465/step, 2.68718 hours remaining, 110.039062 MB of memory in use. ENERGY: 47600 666.0155 1812.7651 2036.8321 109.1648 -0.1967 -1073.2690 0.0000 0.0000 2652.5274 6203.8391 292.9790 3551.3118 6235.9154 294.1949 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: 189.018, 0.00394362/step Wall: 189.018, 0.00394362/step, 2.68627 hours remaining, 110.039062 MB of memory in use. ENERGY: 47800 658.5563 1860.7103 2026.5025 116.3778 -1.3210 -1078.9756 0.0000 0.0000 2687.0448 6268.8950 296.7916 3581.8502 6301.9830 294.1563 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: 189.806, 0.00394281/step Wall: 189.806, 0.00394281/step, 2.68549 hours remaining, 110.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 48000 645.9368 1850.2229 2008.8047 111.3034 0.7351 -1029.0293 0.0000 0.0000 2666.4989 6254.4726 294.5222 3587.9737 6287.3114 297.6387 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: 190.596, 0.00394692/step Wall: 190.596, 0.00394691/step, 2.68807 hours remaining, 110.039062 MB of memory in use. ENERGY: 48200 654.4452 1839.7882 2054.6431 106.7966 1.2229 -1064.6926 0.0000 0.0000 2662.3829 6254.5862 294.0676 3592.2033 6284.4686 297.4233 LDB: ============= START OF LOAD BALANCING ============== 193.555 LDB: ============== END OF LOAD BALANCING =============== 193.555 LDB: =============== DONE WITH MIGRATION ================ 193.555 LDB: ============= START OF LOAD BALANCING ============== 193.95 LDB: ============== END OF LOAD BALANCING =============== 193.95 LDB: =============== DONE WITH MIGRATION ================ 193.951 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: 191.386, 0.00395167/step Wall: 191.386, 0.00395167/step, 2.69109 hours remaining, 110.039062 MB of memory in use. ENERGY: 48400 626.4609 1844.6057 2036.2395 114.6231 0.6840 -1038.7753 0.0000 0.0000 2680.6243 6264.4622 296.0824 3583.8378 6296.8225 297.4300 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: 192.175, 0.00394466/step Wall: 192.175, 0.00394466/step, 2.68609 hours remaining, 110.039062 MB of memory in use. ENERGY: 48600 662.0558 1831.6013 2037.9230 113.8510 -1.6301 -1038.9182 0.0000 0.0000 2691.2818 6296.1646 297.2596 3604.8828 6326.8275 297.3733 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: 192.963, 0.00394015/step Wall: 192.963, 0.00394015/step, 2.6828 hours remaining, 110.039062 MB of memory in use. ENERGY: 48800 658.9294 1843.2415 2036.8963 107.0495 -0.9726 -1047.9261 0.0000 0.0000 2698.1780 6295.3960 298.0213 3597.2180 6329.3771 299.3410 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: 193.753, 0.00394741/step Wall: 193.753, 0.00394741/step, 2.68753 hours remaining, 110.039062 MB of memory in use. ENERGY: 49000 651.9084 1859.5804 2034.2745 108.2282 -2.0378 -1072.8126 0.0000 0.0000 2717.4721 6296.6133 300.1524 3579.1412 6332.2327 299.0714 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: 194.542, 0.00394508/step Wall: 194.542, 0.00394508/step, 2.68572 hours remaining, 110.039062 MB of memory in use. ENERGY: 49200 650.4566 1827.6439 2052.4207 117.0542 -0.7384 -1062.6869 0.0000 0.0000 2693.5866 6277.7367 297.5141 3584.1501 6313.2803 298.6268 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: 195.331, 0.0039467/step Wall: 195.331, 0.0039467/step, 2.68661 hours remaining, 110.042969 MB of memory in use. ENERGY: 49400 677.1198 1838.3322 2009.4352 111.1203 -2.9363 -1056.0918 0.0000 0.0000 2703.0438 6280.0233 298.5587 3576.9794 6313.6434 299.6833 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: 196.12, 0.00394602/step Wall: 196.12, 0.00394601/step, 2.68592 hours remaining, 110.046875 MB of memory in use. ENERGY: 49600 674.0001 1843.7716 1997.3484 113.5988 -0.8665 -1037.7967 0.0000 0.0000 2713.9662 6304.0221 299.7651 3590.0559 6336.7965 298.1314 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: 196.909, 0.00394189/step Wall: 196.909, 0.00394189/step, 2.68289 hours remaining, 110.046875 MB of memory in use. ENERGY: 49800 630.5117 1894.4092 2017.6609 97.7538 -1.7333 -1055.4984 0.0000 0.0000 2678.2905 6261.3942 295.8246 3583.1038 6295.8182 299.7979 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: 197.698, 0.00394796/step Wall: 197.698, 0.00394796/step, 2.68681 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 50000 678.3887 1847.5404 2013.2146 114.2621 -1.8771 -1069.0775 0.0000 0.0000 2704.2888 6286.7401 298.6962 3582.4513 6318.4404 298.6244 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 50000 WRITING COORDINATES TO DCD FILE MD.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, 110.285 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 50000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=50000) takes 0.010 seconds, 110.285 MB of memory in use 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: 198.559, 0.00430342/step Wall: 198.559, 0.00430342/step, 2.92848 hours remaining, 110.285156 MB of memory in use. ENERGY: 50200 702.8440 1837.7284 2009.1842 110.0660 -2.3196 -1074.9254 0.0000 0.0000 2776.6454 6359.2229 306.6882 3582.5775 6394.7546 300.9113 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: 199.348, 0.00394641/step Wall: 199.348, 0.00394641/step, 2.68531 hours remaining, 110.285156 MB of memory in use. ENERGY: 50400 656.7664 1904.3143 2003.9913 111.3171 -1.6520 -1049.5078 0.0000 0.0000 2753.4676 6378.6971 304.1282 3625.2294 6411.7380 304.0604 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: 200.137, 0.0039448/step Wall: 200.137, 0.0039448/step, 2.684 hours remaining, 110.285156 MB of memory in use. ENERGY: 50600 664.1428 1907.4061 2013.7826 97.9902 -1.5544 -1041.7355 0.0000 0.0000 2701.0856 6341.1174 298.3424 3640.0318 6371.9978 302.3025 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: 200.925, 0.0039416/step Wall: 200.925, 0.0039416/step, 2.6816 hours remaining, 110.285156 MB of memory in use. ENERGY: 50800 668.8391 1876.0653 2032.4585 116.1622 -2.0393 -1056.3154 0.0000 0.0000 2696.2770 6331.4475 297.8113 3635.1705 6363.5903 299.9123 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: 201.715, 0.00394628/step Wall: 201.715, 0.00394628/step, 2.68457 hours remaining, 110.285156 MB of memory in use. ENERGY: 51000 674.1840 1912.0167 2004.3501 108.1164 -1.4755 -1047.5735 0.0000 0.0000 2664.0959 6313.7142 294.2568 3649.6182 6344.9808 298.3935 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: 202.504, 0.00394497/step Wall: 202.504, 0.00394497/step, 2.68345 hours remaining, 110.285156 MB of memory in use. ENERGY: 51200 651.1506 1906.7439 2011.6852 114.3939 -0.5636 -1067.3453 0.0000 0.0000 2723.4265 6339.4912 300.8100 3616.0647 6372.2961 301.5324 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: 203.293, 0.0039464/step Wall: 203.293, 0.0039464/step, 2.68421 hours remaining, 110.285156 MB of memory in use. ENERGY: 51400 640.3369 1824.8503 2010.3697 113.2365 -2.0750 -1004.1689 0.0000 0.0000 2726.8126 6309.3622 301.1840 3582.5496 6343.9996 299.9910 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: 204.082, 0.00394516/step Wall: 204.082, 0.00394516/step, 2.68314 hours remaining, 110.285156 MB of memory in use. ENERGY: 51600 695.6178 1818.5201 2006.4403 117.8794 0.1353 -1058.4086 0.0000 0.0000 2687.0230 6267.2072 296.7892 3580.1843 6300.6955 298.3222 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: 204.871, 0.00394333/step Wall: 204.871, 0.00394333/step, 2.68169 hours remaining, 110.285156 MB of memory in use. ENERGY: 51800 668.6824 1818.0585 2043.2906 99.0390 -1.7803 -1057.3229 0.0000 0.0000 2733.8688 6303.8361 301.9634 3569.9673 6338.8348 298.6213 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: 205.66, 0.00394789/step Wall: 205.66, 0.00394789/step, 2.68456 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 52000 688.3700 1856.5804 2036.1497 99.2071 0.1436 -1074.2781 0.0000 0.0000 2742.1005 6348.2732 302.8726 3606.1727 6381.0327 299.2406 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: 206.45, 0.00394736/step Wall: 206.45, 0.00394736/step, 2.68399 hours remaining, 110.285156 MB of memory in use. ENERGY: 52200 693.2494 1864.8192 2031.8906 112.4532 -0.7476 -1067.1485 0.0000 0.0000 2685.0201 6319.5364 296.5680 3634.5163 6352.2767 299.7118 LDB: ============= START OF LOAD BALANCING ============== 209.408 LDB: ============== END OF LOAD BALANCING =============== 209.408 LDB: =============== DONE WITH MIGRATION ================ 209.408 LDB: ============= START OF LOAD BALANCING ============== 209.804 LDB: ============== END OF LOAD BALANCING =============== 209.804 LDB: =============== DONE WITH MIGRATION ================ 209.804 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: 207.24, 0.00395073/step Wall: 207.24, 0.00395073/step, 2.68606 hours remaining, 110.285156 MB of memory in use. ENERGY: 52400 628.2454 1828.1165 2057.4364 99.8142 -2.0383 -1066.8927 0.0000 0.0000 2762.3220 6307.0036 305.1062 3544.6816 6343.2382 298.3604 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: 208.028, 0.00394246/step Wall: 208.028, 0.00394246/step, 2.68021 hours remaining, 110.285156 MB of memory in use. ENERGY: 52600 688.2570 1880.4756 2031.8851 102.8526 -2.1570 -1088.2462 0.0000 0.0000 2691.8603 6304.9274 297.3235 3613.0671 6335.7792 300.4374 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: 208.818, 0.00394878/step Wall: 208.818, 0.00394878/step, 2.68429 hours remaining, 110.285156 MB of memory in use. ENERGY: 52800 655.2227 1845.3737 2052.3667 106.7879 -0.8505 -1078.5587 0.0000 0.0000 2759.2652 6339.6071 304.7685 3580.3418 6374.2815 298.9613 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: 209.607, 0.00394595/step Wall: 209.607, 0.00394595/step, 2.68215 hours remaining, 110.285156 MB of memory in use. ENERGY: 53000 643.6696 1869.1501 2025.6930 100.8508 -1.5391 -1095.5381 0.0000 0.0000 2729.5790 6271.8653 301.4896 3542.2863 6306.2270 298.9625 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: 210.396, 0.00394479/step Wall: 210.396, 0.00394478/step, 2.68114 hours remaining, 110.285156 MB of memory in use. ENERGY: 53200 682.2135 1849.3271 2018.1713 103.9053 -1.1074 -1082.3552 0.0000 0.0000 2637.9269 6208.0815 291.3664 3570.1546 6238.8991 294.8405 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: 211.185, 0.0039463/step Wall: 211.185, 0.0039463/step, 2.68195 hours remaining, 110.285156 MB of memory in use. ENERGY: 53400 639.9773 1826.7132 2036.9650 105.7245 -1.5200 -1024.2953 0.0000 0.0000 2619.5008 6203.0654 289.3312 3583.5646 6236.2465 293.9649 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: 211.974, 0.00394189/step Wall: 211.974, 0.00394189/step, 2.67874 hours remaining, 110.285156 MB of memory in use. ENERGY: 53600 626.8328 1813.3081 2028.3298 90.5818 -0.3244 -1045.3555 0.0000 0.0000 2712.2954 6225.6680 299.5806 3513.3727 6262.4547 293.3939 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: 212.763, 0.00394467/step Wall: 212.763, 0.00394467/step, 2.6804 hours remaining, 110.285156 MB of memory in use. ENERGY: 53800 648.3174 1781.6208 2004.9227 113.7669 -0.7284 -1049.0113 0.0000 0.0000 2748.2505 6247.1385 303.5519 3498.8881 6283.9913 297.9749 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: 213.552, 0.00394508/step Wall: 213.552, 0.00394508/step, 2.68047 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 54000 651.3973 1816.7852 2016.2433 112.0724 0.6008 -1065.2680 0.0000 0.0000 2701.9575 6233.7885 298.4387 3531.8310 6267.8820 295.9751 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: 214.341, 0.00394547/step Wall: 214.341, 0.00394547/step, 2.68051 hours remaining, 110.285156 MB of memory in use. ENERGY: 54200 640.8115 1837.2372 2038.3365 105.4653 0.0386 -1062.3167 0.0000 0.0000 2711.3992 6270.9716 299.4816 3559.5724 6301.9987 297.0680 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: 215.13, 0.00394606/step Wall: 215.13, 0.00394605/step, 2.68068 hours remaining, 110.285156 MB of memory in use. ENERGY: 54400 613.6618 1805.2064 2035.8558 118.1200 0.1864 -1042.9456 0.0000 0.0000 2745.1168 6275.2017 303.2058 3530.0849 6309.8890 297.8318 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: 215.919, 0.00394189/step Wall: 215.919, 0.00394189/step, 2.67764 hours remaining, 110.285156 MB of memory in use. ENERGY: 54600 669.5713 1866.3464 2032.4987 98.9445 0.0139 -1043.1799 0.0000 0.0000 2745.1533 6369.3483 303.2098 3624.1950 6402.9563 301.8559 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: 216.708, 0.00394665/step Wall: 216.708, 0.00394665/step, 2.68066 hours remaining, 110.285156 MB of memory in use. ENERGY: 54800 625.8305 1842.9926 2047.8152 104.1329 0.6603 -1026.6356 0.0000 0.0000 2784.6635 6379.4595 307.5738 3594.7959 6412.5564 301.6119 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: 217.497, 0.00394601/step Wall: 217.497, 0.00394601/step, 2.68 hours remaining, 110.285156 MB of memory in use. ENERGY: 55000 655.1359 1900.9093 2050.9175 97.6253 1.0891 -1060.1271 0.0000 0.0000 2699.4721 6345.0221 298.1642 3645.5500 6376.3433 302.3741 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: 218.287, 0.00395101/step Wall: 218.287, 0.00395101/step, 2.68318 hours remaining, 110.285156 MB of memory in use. ENERGY: 55200 683.1311 1881.0743 2028.4939 97.0755 -0.5119 -1064.7048 0.0000 0.0000 2699.5563 6324.1145 298.1735 3624.5582 6356.1970 301.2280 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: 219.076, 0.00394616/step Wall: 219.076, 0.00394616/step, 2.67966 hours remaining, 110.285156 MB of memory in use. ENERGY: 55400 695.2669 1864.6591 2005.1242 111.0834 0.2491 -1075.7743 0.0000 0.0000 2712.1640 6312.7724 299.5661 3600.6084 6345.0971 301.4158 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: 219.867, 0.00395368/step Wall: 219.867, 0.00395368/step, 2.68455 hours remaining, 110.285156 MB of memory in use. ENERGY: 55600 644.9947 1903.0797 2010.5318 107.1386 0.9863 -1058.1292 0.0000 0.0000 2774.5595 6383.1615 306.4578 3608.6020 6419.3833 302.2383 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: 220.657, 0.00395003/step Wall: 220.657, 0.00395003/step, 2.68185 hours remaining, 110.285156 MB of memory in use. ENERGY: 55800 670.1718 1867.8003 2037.8469 106.9408 -2.4064 -1056.9013 0.0000 0.0000 2719.8256 6343.2778 300.4123 3623.4522 6373.9759 302.0463 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: 221.448, 0.00395444/step Wall: 221.448, 0.00395444/step, 2.68462 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 56000 668.4901 1868.4077 2038.4367 114.2315 0.4799 -1090.6606 0.0000 0.0000 2714.6000 6313.9852 299.8351 3599.3853 6349.3684 301.3457 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: 222.237, 0.00394617/step Wall: 222.237, 0.00394617/step, 2.67879 hours remaining, 110.285156 MB of memory in use. ENERGY: 56200 652.0792 1881.4171 1997.3368 106.4530 -0.6539 -1049.0610 0.0000 0.0000 2698.2104 6285.7816 298.0249 3587.5712 6316.9405 299.5375 LDB: ============= START OF LOAD BALANCING ============== 225.196 LDB: ============== END OF LOAD BALANCING =============== 225.196 LDB: =============== DONE WITH MIGRATION ================ 225.196 LDB: ============= START OF LOAD BALANCING ============== 225.591 LDB: ============== END OF LOAD BALANCING =============== 225.591 LDB: =============== DONE WITH MIGRATION ================ 225.591 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: 223.027, 0.00394802/step Wall: 223.027, 0.00394802/step, 2.67983 hours remaining, 110.285156 MB of memory in use. ENERGY: 56400 638.5195 1866.3397 1996.1650 93.5711 -2.1163 -1052.6754 0.0000 0.0000 2737.7327 6277.5364 302.3902 3539.8036 6309.6749 299.9651 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: 223.817, 0.00394795/step Wall: 223.817, 0.00394795/step, 2.67956 hours remaining, 110.285156 MB of memory in use. ENERGY: 56600 641.9056 1841.2831 2021.5828 129.2887 -2.0205 -1037.2862 0.0000 0.0000 2672.1253 6266.8788 295.1437 3594.7535 6299.7930 297.9774 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: 224.606, 0.00394683/step Wall: 224.606, 0.00394683/step, 2.67858 hours remaining, 110.285156 MB of memory in use. ENERGY: 56800 668.7286 1837.9660 2011.3405 122.0821 -0.5764 -1074.3908 0.0000 0.0000 2631.8781 6197.0282 290.6983 3565.1501 6229.3745 295.5892 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: 225.395, 0.0039474/step Wall: 225.395, 0.0039474/step, 2.67875 hours remaining, 110.285156 MB of memory in use. ENERGY: 57000 680.0343 1883.1986 2035.2969 120.8987 -0.7503 -1074.2237 0.0000 0.0000 2618.0221 6262.4766 289.1678 3644.4545 6294.6706 294.9588 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: 226.185, 0.00394732/step Wall: 226.185, 0.00394732/step, 2.67848 hours remaining, 110.285156 MB of memory in use. ENERGY: 57200 639.9006 1829.6800 2012.4330 119.3794 -2.9196 -1075.7648 0.0000 0.0000 2757.2170 6279.9255 304.5423 3522.7085 6315.6888 299.3579 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: 226.973, 0.00394246/step Wall: 226.973, 0.00394246/step, 2.67496 hours remaining, 110.285156 MB of memory in use. ENERGY: 57400 657.5712 1824.4642 2020.1883 107.9409 -0.4956 -1063.4466 0.0000 0.0000 2753.6378 6299.8602 304.1470 3546.2223 6336.9492 300.4762 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: 227.763, 0.00394701/step Wall: 227.763, 0.00394701/step, 2.67782 hours remaining, 110.285156 MB of memory in use. ENERGY: 57600 662.9251 1819.0668 2025.4791 114.8563 -0.5487 -1038.7856 0.0000 0.0000 2669.5648 6252.5578 294.8609 3582.9930 6284.6599 297.8911 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: 228.552, 0.00394712/step Wall: 228.552, 0.00394712/step, 2.67768 hours remaining, 110.285156 MB of memory in use. ENERGY: 57800 658.1975 1817.5576 2011.0272 93.8063 -2.2356 -992.7796 0.0000 0.0000 2686.5008 6272.0742 296.7315 3585.5734 6303.7263 295.2018 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: 229.342, 0.00394944/step Wall: 229.342, 0.00394944/step, 2.67904 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 58000 642.5600 1840.8115 2053.9600 112.1039 -2.3688 -1076.8964 0.0000 0.0000 2736.1579 6306.3282 302.2163 3570.1703 6343.7103 296.5581 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: 230.132, 0.00394768/step Wall: 230.132, 0.00394768/step, 2.67763 hours remaining, 110.285156 MB of memory in use. ENERGY: 58200 681.8202 1837.3902 2014.3774 111.0813 -1.2913 -1079.6129 0.0000 0.0000 2787.3053 6351.0701 307.8656 3563.7648 6384.2223 302.2231 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: 230.92, 0.00394325/step Wall: 230.92, 0.00394325/step, 2.6744 hours remaining, 110.285156 MB of memory in use. ENERGY: 58400 660.0060 1932.9841 2046.3010 111.7604 -1.4707 -1065.8640 0.0000 0.0000 2685.6940 6369.4108 296.6424 3683.7168 6401.4888 302.4967 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: 231.71, 0.00394889/step Wall: 231.71, 0.00394889/step, 2.67801 hours remaining, 110.285156 MB of memory in use. ENERGY: 58600 638.2608 1905.8717 2035.4078 112.2677 -1.0857 -1035.9105 0.0000 0.0000 2729.3648 6384.1766 301.4659 3654.8118 6417.7684 304.9188 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: 232.499, 0.00394613/step Wall: 232.499, 0.00394613/step, 2.67591 hours remaining, 110.285156 MB of memory in use. ENERGY: 58800 635.4208 1870.7026 2024.1432 109.6104 0.1257 -1035.0510 0.0000 0.0000 2777.1709 6382.1226 306.7463 3604.9517 6417.6746 302.6901 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: 233.289, 0.00394753/step Wall: 233.289, 0.00394753/step, 2.67664 hours remaining, 110.285156 MB of memory in use. ENERGY: 59000 695.7776 1852.8913 2060.4587 106.2566 0.6988 -1053.4806 0.0000 0.0000 2722.1412 6384.7435 300.6681 3662.6023 6415.4594 304.0623 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: 234.077, 0.00394108/step Wall: 234.077, 0.00394108/step, 2.67205 hours remaining, 110.285156 MB of memory in use. ENERGY: 59200 631.5458 1850.8361 2033.3414 112.8738 -0.7580 -1023.5100 0.0000 0.0000 2738.2088 6342.5378 302.4428 3604.3291 6376.5285 301.5731 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: 234.866, 0.00394534/step Wall: 234.866, 0.00394534/step, 2.67472 hours remaining, 110.285156 MB of memory in use. ENERGY: 59400 636.1160 1841.4295 2041.6165 115.1883 -1.2184 -1023.3319 0.0000 0.0000 2728.7569 6338.5568 301.3988 3609.7999 6375.3808 301.5767 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: 235.656, 0.0039481/step Wall: 235.656, 0.0039481/step, 2.67637 hours remaining, 110.285156 MB of memory in use. ENERGY: 59600 637.6474 1858.8297 2013.8414 94.1731 -1.3374 -1047.2035 0.0000 0.0000 2732.4115 6288.3623 301.8025 3555.9508 6323.6434 300.5550 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: 236.446, 0.00394938/step Wall: 236.446, 0.00394938/step, 2.67702 hours remaining, 110.285156 MB of memory in use. ENERGY: 59800 633.9424 1870.2288 2038.7161 101.2450 -0.2006 -1059.4152 0.0000 0.0000 2692.9159 6277.4323 297.4401 3584.5164 6310.5293 298.7978 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: 237.235, 0.00394883/step Wall: 237.235, 0.00394883/step, 2.67643 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 60000 693.3323 1846.2992 2012.8585 117.2222 -2.0384 -1073.6618 0.0000 0.0000 2693.6467 6287.6587 297.5208 3594.0120 6320.1046 298.3859 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 60000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 60000 WRITING COORDINATES TO RESTART FILE AT STEP 60000 FINISHED WRITING RESTART COORDINATES The last position output (seq=60000) takes 0.022 seconds, 110.285 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 60000 FINISHED WRITING RESTART VELOCITIES 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: 238.07, 0.0041756/step Wall: 238.07, 0.0041756/step, 2.8299 hours remaining, 110.285156 MB of memory in use. ENERGY: 60200 644.7942 1876.4548 2001.6770 99.5877 -0.0679 -1048.2386 0.0000 0.0000 2714.3435 6288.5506 299.8068 3574.2071 6320.6398 298.5740 LDB: ============= START OF LOAD BALANCING ============== 241.03 LDB: ============== END OF LOAD BALANCING =============== 241.03 LDB: =============== DONE WITH MIGRATION ================ 241.03 LDB: ============= START OF LOAD BALANCING ============== 241.425 LDB: ============== END OF LOAD BALANCING =============== 241.425 LDB: =============== DONE WITH MIGRATION ================ 241.425 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: 238.861, 0.00395378/step Wall: 238.861, 0.00395378/step, 2.67934 hours remaining, 110.285156 MB of memory in use. ENERGY: 60400 653.5224 1807.9161 1991.1719 107.3534 0.4915 -1032.5760 0.0000 0.0000 2742.4482 6270.3275 302.9110 3527.8792 6306.6569 299.0382 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: 239.651, 0.00394837/step Wall: 239.651, 0.00394837/step, 2.67546 hours remaining, 110.285156 MB of memory in use. ENERGY: 60600 652.7149 1831.7145 2048.5679 108.3008 -1.5603 -1048.6889 0.0000 0.0000 2682.5832 6273.6322 296.2988 3591.0490 6307.0709 297.0371 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: 240.44, 0.00394738/step Wall: 240.44, 0.00394738/step, 2.67457 hours remaining, 110.285156 MB of memory in use. ENERGY: 60800 652.3714 1838.9984 2016.7982 117.1779 -1.1665 -1080.2986 0.0000 0.0000 2709.3155 6253.1963 299.2514 3543.8808 6284.8535 298.2812 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: 241.23, 0.00394892/step Wall: 241.23, 0.00394892/step, 2.67539 hours remaining, 110.285156 MB of memory in use. ENERGY: 61000 644.4039 1823.3826 2023.2525 125.3481 0.0851 -1040.2736 0.0000 0.0000 2693.8901 6270.0886 297.5477 3576.1986 6305.1379 297.1031 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: 242.019, 0.00394217/step Wall: 242.019, 0.00394217/step, 2.6706 hours remaining, 110.285156 MB of memory in use. ENERGY: 61200 672.0651 1880.6597 1995.4301 117.5667 -2.1413 -1042.6361 0.0000 0.0000 2663.6997 6284.6438 294.2131 3620.9441 6315.1469 297.8387 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: 242.808, 0.00394814/step Wall: 242.808, 0.00394814/step, 2.67443 hours remaining, 110.285156 MB of memory in use. ENERGY: 61400 654.1006 1855.3470 2029.0726 106.6124 -0.2866 -1037.6050 0.0000 0.0000 2679.0795 6286.3204 295.9118 3607.2409 6320.3409 298.5048 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: 243.598, 0.00394709/step Wall: 243.598, 0.00394709/step, 2.6735 hours remaining, 110.285156 MB of memory in use. ENERGY: 61600 647.6001 1874.1359 2011.3712 103.6000 -1.4889 -1010.5766 0.0000 0.0000 2713.8239 6338.4656 299.7494 3624.6417 6368.9649 297.5374 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: 244.387, 0.00394723/step Wall: 244.387, 0.00394723/step, 2.67337 hours remaining, 110.285156 MB of memory in use. ENERGY: 61800 702.3572 1858.1144 2068.4543 118.3365 -0.5260 -1057.4228 0.0000 0.0000 2674.3685 6363.6821 295.3914 3689.3137 6392.1985 299.6666 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: 245.176, 0.00394632/step Wall: 245.176, 0.00394632/step, 2.67253 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 62000 678.6480 1883.7001 2020.8507 117.9283 -0.0509 -1075.9527 0.0000 0.0000 2766.5233 6391.6468 305.5702 3625.1235 6428.7177 303.6375 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: 245.964, 0.00394097/step Wall: 245.964, 0.00394097/step, 2.66869 hours remaining, 110.285156 MB of memory in use. ENERGY: 62200 655.7735 1929.1616 2033.6460 114.0775 -1.8927 -1040.0983 0.0000 0.0000 2735.6389 6426.3065 302.1589 3690.6676 6460.3275 304.3318 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: 246.754, 0.00394687/step Wall: 246.754, 0.00394687/step, 2.67247 hours remaining, 110.285156 MB of memory in use. ENERGY: 62400 652.9598 1895.6114 2018.0273 120.6069 -2.4830 -1041.4986 0.0000 0.0000 2770.7511 6413.9750 306.0372 3643.2238 6448.9219 305.3958 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: 247.543, 0.00394634/step Wall: 247.543, 0.00394634/step, 2.67189 hours remaining, 110.285156 MB of memory in use. ENERGY: 62600 648.4351 1890.1868 2059.2880 112.7918 -2.0122 -1080.4582 0.0000 0.0000 2784.4399 6412.6713 307.5491 3628.2314 6447.4711 305.7656 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: 248.333, 0.00394732/step Wall: 248.333, 0.00394732/step, 2.67234 hours remaining, 110.285156 MB of memory in use. ENERGY: 62800 686.0924 1880.4826 2058.3240 110.5617 -2.1299 -1062.3918 0.0000 0.0000 2779.4968 6450.4358 307.0032 3670.9390 6482.8727 306.7401 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: 249.121, 0.00394196/step Wall: 249.121, 0.00394196/step, 2.66848 hours remaining, 110.285156 MB of memory in use. ENERGY: 63000 647.4005 1887.9591 2047.0398 111.0610 -0.2780 -1053.8829 0.0000 0.0000 2741.2394 6380.5390 302.7775 3639.2995 6416.6019 307.0818 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: 249.91, 0.00394601/step Wall: 249.91, 0.00394601/step, 2.67101 hours remaining, 110.285156 MB of memory in use. ENERGY: 63200 679.2012 1878.4413 2016.7275 109.6312 -2.8519 -1083.6504 0.0000 0.0000 2780.3148 6377.8138 307.0935 3597.4990 6413.1631 302.5803 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: 250.7, 0.00394735/step Wall: 250.7, 0.00394735/step, 2.6717 hours remaining, 110.285156 MB of memory in use. ENERGY: 63400 695.9073 1882.5504 2020.5209 95.3851 -1.1058 -1046.9999 0.0000 0.0000 2711.7836 6358.0415 299.5241 3646.2579 6390.6823 301.3358 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: 251.489, 0.00394843/step Wall: 251.489, 0.00394843/step, 2.67221 hours remaining, 110.285156 MB of memory in use. ENERGY: 63600 676.9944 1822.0974 2033.5927 100.9449 0.6685 -1034.8981 0.0000 0.0000 2718.9050 6318.3048 300.3106 3599.3998 6352.2743 300.8618 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: 252.279, 0.00394658/step Wall: 252.279, 0.00394658/step, 2.67074 hours remaining, 110.285156 MB of memory in use. ENERGY: 63800 668.9827 1818.3500 2013.4118 104.3220 -1.9719 -1049.5173 0.0000 0.0000 2745.4294 6299.0067 303.2403 3553.5773 6333.7015 298.9262 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: 253.067, 0.0039422/step Wall: 253.067, 0.0039422/step, 2.66756 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 64000 657.7573 1851.5064 2024.1283 118.9021 -0.9228 -1027.8874 0.0000 0.0000 2644.0346 6267.5184 292.0410 3623.4838 6298.9715 298.0547 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: 253.856, 0.0039465/step Wall: 253.856, 0.0039465/step, 2.67025 hours remaining, 110.285156 MB of memory in use. ENERGY: 64200 633.2795 1913.0104 2019.7397 99.2516 -0.5353 -1031.3179 0.0000 0.0000 2677.7311 6311.1590 295.7629 3633.4279 6342.8353 297.1379 LDB: ============= START OF LOAD BALANCING ============== 256.816 LDB: ============== END OF LOAD BALANCING =============== 256.816 LDB: =============== DONE WITH MIGRATION ================ 256.816 LDB: ============= START OF LOAD BALANCING ============== 257.211 LDB: ============== END OF LOAD BALANCING =============== 257.211 LDB: =============== DONE WITH MIGRATION ================ 257.211 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: 254.647, 0.00395228/step Wall: 254.647, 0.00395228/step, 2.67394 hours remaining, 110.285156 MB of memory in use. ENERGY: 64400 694.3105 1879.2842 2011.3817 104.2737 -0.8457 -1054.4552 0.0000 0.0000 2676.5193 6310.4686 295.6290 3633.9493 6342.6833 300.7387 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: 255.436, 0.00394755/step Wall: 255.436, 0.00394755/step, 2.67052 hours remaining, 110.285156 MB of memory in use. ENERGY: 64600 676.8471 1848.9953 2005.2397 102.4279 -2.3971 -1074.4522 0.0000 0.0000 2722.0496 6278.7104 300.6580 3556.6608 6309.5821 298.2106 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: 256.226, 0.00394602/step Wall: 256.226, 0.00394602/step, 2.66926 hours remaining, 110.285156 MB of memory in use. ENERGY: 64800 647.3184 1834.1152 1990.7138 102.0518 -0.9297 -1023.7884 0.0000 0.0000 2684.7062 6234.1873 296.5333 3549.4812 6264.7000 296.5746 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: 257.014, 0.0039424/step Wall: 257.014, 0.0039424/step, 2.66659 hours remaining, 110.285156 MB of memory in use. ENERGY: 65000 673.3219 1788.4757 2022.8186 102.0172 -2.6573 -1025.6848 0.0000 0.0000 2668.8109 6227.1022 294.7776 3558.2913 6259.5175 295.5031 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: 257.803, 0.00394626/step Wall: 257.803, 0.00394626/step, 2.66899 hours remaining, 110.285156 MB of memory in use. ENERGY: 65200 645.3009 1791.2432 2031.0421 109.7533 -2.4161 -1066.6730 0.0000 0.0000 2708.7456 6216.9960 299.1885 3508.2504 6251.8087 296.3074 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: 258.594, 0.00395212/step Wall: 258.594, 0.00395212/step, 2.67273 hours remaining, 110.285156 MB of memory in use. ENERGY: 65400 603.2577 1869.8805 2022.3470 112.6318 -2.5290 -1062.8040 0.0000 0.0000 2708.8843 6251.6683 299.2038 3542.7840 6285.1672 296.5613 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: 259.383, 0.003944/step Wall: 259.383, 0.003944/step, 2.66702 hours remaining, 110.285156 MB of memory in use. ENERGY: 65600 631.4138 1860.9987 2031.2238 105.5229 -2.0708 -1052.1292 0.0000 0.0000 2717.2526 6292.2119 300.1281 3574.9593 6325.6773 299.3011 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: 260.172, 0.00394544/step Wall: 260.172, 0.00394544/step, 2.66778 hours remaining, 110.285156 MB of memory in use. ENERGY: 65800 655.3187 1808.9894 2021.0464 99.7608 -2.2109 -1038.7640 0.0000 0.0000 2734.0946 6278.2348 301.9884 3544.1403 6315.3700 299.2156 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: 260.96, 0.00394232/step Wall: 260.96, 0.00394232/step, 2.66545 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 66000 639.7407 1864.7144 1985.9488 88.1622 -1.7277 -1043.8472 0.0000 0.0000 2676.6823 6209.6735 295.6470 3532.9913 6243.0969 296.6785 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: 261.749, 0.00394655/step Wall: 261.749, 0.00394655/step, 2.66809 hours remaining, 110.285156 MB of memory in use. ENERGY: 66200 663.8593 1884.1992 2003.3944 109.4550 -1.5862 -1062.6693 0.0000 0.0000 2636.0053 6232.6576 291.1541 3596.6522 6265.1394 294.5570 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: 262.538, 0.00394525/step Wall: 262.538, 0.00394526/step, 2.66699 hours remaining, 110.285156 MB of memory in use. ENERGY: 66400 638.2147 1806.1671 1991.3171 110.9328 -2.1024 -996.0916 0.0000 0.0000 2700.1246 6248.5623 298.2363 3548.4378 6283.5640 295.3765 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: 263.328, 0.00394817/step Wall: 263.328, 0.00394817/step, 2.66875 hours remaining, 110.285156 MB of memory in use. ENERGY: 66600 639.6873 1819.0158 2023.0913 96.1361 -2.3665 -1035.1384 0.0000 0.0000 2703.9588 6244.3845 298.6598 3540.4257 6274.8514 297.2525 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: 264.116, 0.00394215/step Wall: 264.116, 0.00394215/step, 2.66445 hours remaining, 110.285156 MB of memory in use. ENERGY: 66800 618.6060 1803.8701 2038.7020 118.7727 -1.9674 -1026.5972 0.0000 0.0000 2707.3461 6258.7323 299.0339 3551.3862 6292.5214 295.0755 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: 264.906, 0.00394608/step Wall: 264.906, 0.00394608/step, 2.66689 hours remaining, 110.285156 MB of memory in use. ENERGY: 67000 618.2017 1866.7455 2012.8032 109.8540 -1.9433 -1049.5517 0.0000 0.0000 2673.3472 6229.4567 295.2786 3556.1095 6263.3615 295.2936 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: 265.695, 0.00394683/step Wall: 265.695, 0.00394683/step, 2.66718 hours remaining, 110.285156 MB of memory in use. ENERGY: 67200 670.0602 1856.4306 2048.8906 106.7792 -2.4018 -1023.9758 0.0000 0.0000 2636.5322 6292.3152 291.2123 3655.7830 6323.1810 294.7506 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: 266.485, 0.00394723/step Wall: 266.485, 0.00394723/step, 2.66723 hours remaining, 110.285156 MB of memory in use. ENERGY: 67400 695.8660 1861.0253 2000.1228 106.8904 -0.7237 -1019.6213 0.0000 0.0000 2647.7258 6291.2853 292.4487 3643.5595 6323.4476 298.7149 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: 267.274, 0.00394813/step Wall: 267.274, 0.00394813/step, 2.66762 hours remaining, 110.285156 MB of memory in use. ENERGY: 67600 633.4193 1836.5600 2015.5399 102.7227 -2.6951 -1058.8383 0.0000 0.0000 2723.7390 6250.4474 300.8446 3526.7084 6283.3214 297.3379 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: 268.063, 0.00394236/step Wall: 268.063, 0.00394236/step, 2.66351 hours remaining, 110.285156 MB of memory in use. ENERGY: 67800 637.9287 1821.2994 2024.6782 116.4086 -1.0942 -1053.5028 0.0000 0.0000 2738.8183 6284.5363 302.5101 3545.7179 6318.9120 296.2700 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: 268.852, 0.00394616/step Wall: 268.852, 0.00394616/step, 2.66585 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 68000 645.6101 1881.1701 1996.1562 107.1568 0.3288 -1021.9372 0.0000 0.0000 2683.2247 6291.7094 296.3696 3608.4847 6323.0518 297.0939 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: 269.641, 0.00394728/step Wall: 269.641, 0.00394728/step, 2.66638 hours remaining, 110.285156 MB of memory in use. ENERGY: 68200 664.3393 1833.3414 2031.8672 115.4474 0.1150 -1047.0018 0.0000 0.0000 2674.9527 6273.0612 295.4560 3598.1085 6306.9401 298.2186 LDB: ============= START OF LOAD BALANCING ============== 272.6 LDB: ============== END OF LOAD BALANCING =============== 272.6 LDB: =============== DONE WITH MIGRATION ================ 272.6 LDB: ============= START OF LOAD BALANCING ============== 272.996 LDB: ============== END OF LOAD BALANCING =============== 272.996 LDB: =============== DONE WITH MIGRATION ================ 272.996 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: 270.432, 0.00395158/step Wall: 270.432, 0.00395158/step, 2.66907 hours remaining, 110.285156 MB of memory in use. ENERGY: 68400 670.5513 1854.7417 2027.1876 104.5951 -1.0681 -1079.7648 0.0000 0.0000 2706.1464 6282.3892 298.9014 3576.2428 6315.7513 296.8595 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: 271.221, 0.00394884/step Wall: 271.221, 0.00394884/step, 2.66701 hours remaining, 110.285156 MB of memory in use. ENERGY: 68600 701.5387 1825.6590 2047.2779 123.2788 -1.7913 -1092.8700 0.0000 0.0000 2708.3343 6311.4275 299.1431 3603.0932 6347.4304 299.3545 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: 272.01, 0.00394168/step Wall: 272.01, 0.00394168/step, 2.66195 hours remaining, 110.285156 MB of memory in use. ENERGY: 68800 670.5748 1827.0450 2059.3897 98.7407 -2.5296 -1090.6335 0.0000 0.0000 2738.6180 6301.2050 302.4880 3562.5871 6335.7018 299.4990 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: 272.799, 0.00394614/step Wall: 272.799, 0.00394614/step, 2.66474 hours remaining, 110.285156 MB of memory in use. ENERGY: 69000 659.4472 1836.9857 2040.2608 97.7077 -1.9019 -1071.9343 0.0000 0.0000 2689.0628 6249.6281 297.0145 3560.5653 6282.7062 297.0739 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: 273.589, 0.00394798/step Wall: 273.589, 0.00394798/step, 2.66576 hours remaining, 110.285156 MB of memory in use. ENERGY: 69200 676.7949 1800.9710 2020.0964 107.2781 -2.8105 -1060.7782 0.0000 0.0000 2692.3592 6233.9108 297.3786 3541.5516 6269.3166 295.1267 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: 274.378, 0.00394732/step Wall: 274.378, 0.00394732/step, 2.6651 hours remaining, 110.285156 MB of memory in use. ENERGY: 69400 611.3279 1860.8340 2017.7643 118.7730 -1.7382 -1038.9324 0.0000 0.0000 2637.4906 6205.5192 291.3182 3568.0286 6236.9258 294.6302 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: 275.167, 0.00394298/step Wall: 275.167, 0.00394298/step, 2.66195 hours remaining, 110.285156 MB of memory in use. ENERGY: 69600 638.6715 1840.5451 2036.8958 112.4630 -2.1167 -1063.9901 0.0000 0.0000 2634.1938 6196.6625 290.9540 3562.4686 6224.9856 293.4719 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: 275.956, 0.00394797/step Wall: 275.956, 0.00394797/step, 2.6651 hours remaining, 110.285156 MB of memory in use. ENERGY: 69800 621.7006 1896.4198 2041.0552 113.8061 -2.7489 -1088.3704 0.0000 0.0000 2672.6135 6254.4760 295.1976 3581.8625 6288.0422 294.6780 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: 276.746, 0.00394745/step Wall: 276.746, 0.00394745/step, 2.66453 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 70000 644.4824 1855.7350 2026.1864 111.9350 -1.5243 -1048.5079 0.0000 0.0000 2661.4944 6249.8010 293.9695 3588.3066 6282.8718 296.6350 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 70000 WRITING COORDINATES TO DCD FILE MD.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, 110.285 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 70000 FINISHED WRITING RESTART VELOCITIES 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: 277.569, 0.00411693/step Wall: 277.569, 0.00411693/step, 2.7787 hours remaining, 110.285156 MB of memory in use. ENERGY: 70200 673.9959 1833.3876 2018.6047 104.4351 -1.9020 -1056.5630 0.0000 0.0000 2694.3056 6266.2639 297.5936 3571.9583 6297.8741 296.2124 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: 278.358, 0.00394698/step Wall: 278.358, 0.00394698/step, 2.66377 hours remaining, 110.285156 MB of memory in use. ENERGY: 70400 672.8513 1809.7370 2018.2826 113.7641 -2.5508 -1027.8250 0.0000 0.0000 2685.1288 6269.3880 296.5800 3584.2593 6302.6414 296.5465 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: 279.147, 0.00394267/step Wall: 279.147, 0.00394267/step, 2.66065 hours remaining, 110.285156 MB of memory in use. ENERGY: 70600 694.6126 1859.4761 2006.7085 102.7460 -2.8012 -1030.3245 0.0000 0.0000 2661.8029 6292.2204 294.0035 3630.4176 6323.7711 297.5560 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: 279.939, 0.00395894/step Wall: 279.939, 0.00395894/step, 2.6714 hours remaining, 110.285156 MB of memory in use. ENERGY: 70800 645.0363 1798.2932 2025.1212 110.3979 -2.6474 -1024.4001 0.0000 0.0000 2668.3604 6220.1615 294.7278 3551.8011 6254.5794 297.1451 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: 280.729, 0.00395103/step Wall: 280.729, 0.00395103/step, 2.66584 hours remaining, 110.285156 MB of memory in use. ENERGY: 71000 686.1355 1838.5033 1993.1830 106.4671 -0.5254 -1066.5759 0.0000 0.0000 2662.7673 6219.9549 294.1101 3557.1876 6253.7081 294.5674 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: 281.52, 0.00395284/step Wall: 281.52, 0.00395284/step, 2.66685 hours remaining, 110.285156 MB of memory in use. ENERGY: 71200 660.9100 1824.4414 1999.7783 106.0494 -2.4606 -1079.9313 0.0000 0.0000 2666.3123 6175.0996 294.5016 3508.7872 6206.3172 293.7625 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: 282.309, 0.00394765/step Wall: 282.309, 0.00394765/step, 2.66313 hours remaining, 110.285156 MB of memory in use. ENERGY: 71400 646.5713 1838.2852 2012.2948 115.1802 -2.4497 -1060.5931 0.0000 0.0000 2655.5161 6204.8048 293.3092 3549.2887 6237.6085 293.6621 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: 283.098, 0.00394292/step Wall: 283.098, 0.00394292/step, 2.65972 hours remaining, 110.285156 MB of memory in use. ENERGY: 71600 627.5562 1817.3214 1996.2996 113.1578 -3.3707 -1034.3231 0.0000 0.0000 2658.8537 6175.4948 293.6778 3516.6411 6207.4687 293.5095 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: 283.887, 0.00394767/step Wall: 283.887, 0.00394767/step, 2.6627 hours remaining, 110.285156 MB of memory in use. ENERGY: 71800 627.2699 1777.1200 2058.8685 129.5119 -3.2756 -1056.1369 0.0000 0.0000 2630.6571 6164.0150 290.5634 3533.3579 6195.5461 293.4986 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: 284.677, 0.00394657/step Wall: 284.677, 0.00394657/step, 2.66175 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 72000 647.2613 1826.9549 2001.6007 106.5582 -3.6332 -1072.5691 0.0000 0.0000 2643.8943 6150.0671 292.0255 3506.1728 6181.9856 291.8210 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: 285.466, 0.00394862/step Wall: 285.466, 0.00394861/step, 2.6629 hours remaining, 110.285156 MB of memory in use. ENERGY: 72200 664.1913 1792.5908 1997.6413 105.8733 -2.2363 -1028.0625 0.0000 0.0000 2640.4944 6170.4923 291.6500 3529.9979 6202.2856 290.8533 LDB: ============= START OF LOAD BALANCING ============== 288.425 LDB: ============== END OF LOAD BALANCING =============== 288.425 LDB: =============== DONE WITH MIGRATION ================ 288.425 LDB: ============= START OF LOAD BALANCING ============== 288.821 LDB: ============== END OF LOAD BALANCING =============== 288.821 LDB: =============== DONE WITH MIGRATION ================ 288.821 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: 286.257, 0.0039535/step Wall: 286.257, 0.0039535/step, 2.66597 hours remaining, 110.285156 MB of memory in use. ENERGY: 72400 651.4774 1760.6686 2043.3644 107.8747 -2.8416 -1027.6485 0.0000 0.0000 2637.9340 6170.8290 291.3672 3532.8950 6203.1128 292.7454 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: 287.045, 0.00394221/step Wall: 287.045, 0.00394222/step, 2.65815 hours remaining, 110.285156 MB of memory in use. ENERGY: 72600 655.8985 1795.1931 1978.3183 108.6772 -3.2582 -1047.7847 0.0000 0.0000 2678.1850 6165.2292 295.8130 3487.0443 6197.8560 292.5617 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: 287.835, 0.00394558/step Wall: 287.835, 0.00394558/step, 2.6602 hours remaining, 110.285156 MB of memory in use. ENERGY: 72800 691.5367 1842.0069 2000.7985 108.6069 -2.6522 -1088.2599 0.0000 0.0000 2640.4364 6192.4733 291.6436 3552.0369 6223.0804 292.4430 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: 288.624, 0.00394622/step Wall: 288.624, 0.00394622/step, 2.66041 hours remaining, 110.285156 MB of memory in use. ENERGY: 73000 621.2680 1828.1951 2011.6493 97.5017 -2.8863 -1036.7524 0.0000 0.0000 2672.5008 6191.4762 295.1852 3518.9755 6223.3658 292.0275 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: 289.413, 0.00394746/step Wall: 289.413, 0.00394746/step, 2.66103 hours remaining, 110.285156 MB of memory in use. ENERGY: 73200 643.9140 1835.9924 2015.4199 103.2232 -3.7750 -1045.7239 0.0000 0.0000 2668.7673 6217.8179 294.7728 3549.0507 6249.8142 293.8343 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: 290.202, 0.00394176/step Wall: 290.202, 0.00394176/step, 2.65697 hours remaining, 110.285156 MB of memory in use. ENERGY: 73400 681.7023 1825.2020 2016.6639 105.0497 -2.5654 -1044.9730 0.0000 0.0000 2672.0363 6253.1158 295.1339 3581.0795 6284.1455 295.6002 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: 290.991, 0.00394611/step Wall: 290.991, 0.00394611/step, 2.65968 hours remaining, 110.285156 MB of memory in use. ENERGY: 73600 631.3323 1818.4508 2007.9318 111.6085 -2.0512 -1007.1111 0.0000 0.0000 2661.4033 6221.5644 293.9594 3560.1611 6254.9823 295.0602 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: 291.78, 0.003948/step Wall: 291.78, 0.003948/step, 2.66073 hours remaining, 110.285156 MB of memory in use. ENERGY: 73800 624.7327 1839.4928 2017.0236 116.7086 -2.7696 -1039.6690 0.0000 0.0000 2743.1768 6298.6960 302.9915 3555.5192 6330.1272 297.2686 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: 292.57, 0.00394687/step Wall: 292.57, 0.00394687/step, 2.65975 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 74000 656.3732 1806.7667 2017.9383 123.8856 -1.6478 -1013.3829 0.0000 0.0000 2722.6720 6312.6052 300.7267 3589.9332 6347.1916 301.3049 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: 293.359, 0.00394778/step Wall: 293.359, 0.00394778/step, 2.66014 hours remaining, 110.285156 MB of memory in use. ENERGY: 74200 678.0861 1852.4206 2031.5488 123.5063 -1.3620 -1078.7854 0.0000 0.0000 2711.1997 6316.6140 299.4596 3605.4143 6349.3999 300.8829 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: 294.148, 0.00394276/step Wall: 294.148, 0.00394276/step, 2.65655 hours remaining, 110.285156 MB of memory in use. ENERGY: 74400 657.0689 1812.9004 2002.3293 110.7006 0.0204 -1070.4692 0.0000 0.0000 2799.6408 6312.1912 309.2281 3512.5504 6347.1189 299.7959 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: 294.938, 0.00394813/step Wall: 294.938, 0.00394813/step, 2.65994 hours remaining, 110.285156 MB of memory in use. ENERGY: 74600 650.1338 1865.7612 2009.8620 109.4982 -0.9576 -1032.6965 0.0000 0.0000 2730.9144 6332.5156 301.6371 3601.6011 6366.9022 301.3813 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: 295.727, 0.00394907/step Wall: 295.727, 0.00394907/step, 2.66036 hours remaining, 110.285156 MB of memory in use. ENERGY: 74800 659.5891 1919.1409 2047.3138 126.2749 -1.2702 -1060.3257 0.0000 0.0000 2674.8418 6365.5644 295.4437 3690.7227 6395.3684 301.8459 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: 296.517, 0.00394875/step Wall: 296.517, 0.00394875/step, 2.65992 hours remaining, 110.285156 MB of memory in use. ENERGY: 75000 661.4825 1873.2058 1987.5342 125.5670 -1.4014 -1063.2318 0.0000 0.0000 2763.6021 6346.7584 305.2476 3583.1563 6380.9539 302.4503 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: 297.307, 0.00394845/step Wall: 297.307, 0.00394845/step, 2.6595 hours remaining, 110.285156 MB of memory in use. ENERGY: 75200 678.7370 1926.7665 2018.7752 112.6867 -2.2238 -1055.6167 0.0000 0.0000 2760.8387 6439.9636 304.9423 3679.1249 6471.2264 303.9543 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: 298.095, 0.00394315/step Wall: 298.095, 0.00394315/step, 2.65571 hours remaining, 110.285156 MB of memory in use. ENERGY: 75400 646.1803 1939.5622 2019.8561 118.4596 1.3540 -1018.2271 0.0000 0.0000 2691.3066 6398.4916 297.2623 3707.1850 6431.4458 304.7341 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: 298.886, 0.00395091/step Wall: 298.886, 0.00395091/step, 2.66072 hours remaining, 110.285156 MB of memory in use. ENERGY: 75600 684.4696 1831.2900 2018.7131 120.0944 0.4728 -1032.0477 0.0000 0.0000 2780.4724 6403.4646 307.1109 3622.9922 6435.4801 304.2164 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: 299.675, 0.00394489/step Wall: 299.675, 0.00394489/step, 2.65644 hours remaining, 110.285156 MB of memory in use. ENERGY: 75800 628.1573 1841.4944 2032.8130 113.5352 0.2324 -1027.0810 0.0000 0.0000 2767.9693 6357.1205 305.7299 3589.1512 6388.4457 304.1040 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: 300.463, 0.00394445/step Wall: 300.463, 0.00394445/step, 2.65593 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 76000 669.6433 1872.5811 2030.3740 104.5380 -2.1736 -1063.1994 0.0000 0.0000 2740.2745 6352.0379 302.6710 3611.7633 6386.2264 303.0597 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: 301.253, 0.00394549/step Wall: 301.253, 0.00394549/step, 2.65641 hours remaining, 110.285156 MB of memory in use. ENERGY: 76200 677.0481 1858.8967 2003.0059 120.0713 -2.2254 -1052.4504 0.0000 0.0000 2730.6952 6335.0414 301.6129 3604.3463 6369.9179 301.5219 LDB: ============= START OF LOAD BALANCING ============== 304.212 LDB: ============== END OF LOAD BALANCING =============== 304.212 LDB: =============== DONE WITH MIGRATION ================ 304.212 LDB: ============= START OF LOAD BALANCING ============== 304.607 LDB: ============== END OF LOAD BALANCING =============== 304.607 LDB: =============== DONE WITH MIGRATION ================ 304.607 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: 302.043, 0.00395148/step Wall: 302.043, 0.00395148/step, 2.66022 hours remaining, 110.285156 MB of memory in use. ENERGY: 76400 666.2990 1853.7660 2036.1783 114.8775 -1.6622 -1046.7455 0.0000 0.0000 2716.1547 6338.8679 300.0069 3622.7132 6369.2617 301.2081 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: 302.833, 0.00394844/step Wall: 302.833, 0.00394843/step, 2.65795 hours remaining, 110.285156 MB of memory in use. ENERGY: 76600 662.0080 1844.1434 2024.6527 99.8279 -0.8678 -1059.9239 0.0000 0.0000 2717.0122 6286.8526 300.1016 3569.8403 6318.3462 300.1291 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: 303.622, 0.00394837/step Wall: 303.622, 0.00394837/step, 2.65769 hours remaining, 110.285156 MB of memory in use. ENERGY: 76800 626.5220 1895.9882 1988.8772 107.4166 -1.6087 -1035.6605 0.0000 0.0000 2673.6811 6255.2158 295.3155 3581.5347 6284.9875 297.2764 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: 304.412, 0.00394893/step Wall: 304.412, 0.00394893/step, 2.65785 hours remaining, 110.285156 MB of memory in use. ENERGY: 77000 647.3273 1816.5493 1996.7293 110.6141 -1.2839 -1042.8742 0.0000 0.0000 2717.0805 6244.1425 300.1091 3527.0619 6276.6310 295.3069 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: 305.201, 0.00394285/step Wall: 305.201, 0.00394285/step, 2.65354 hours remaining, 110.285156 MB of memory in use. ENERGY: 77200 650.5708 1819.8671 1982.1376 101.8467 -0.4810 -1025.6470 0.0000 0.0000 2669.5474 6197.8416 294.8589 3528.2942 6232.3380 293.9314 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: 305.99, 0.00394642/step Wall: 305.99, 0.00394642/step, 2.65572 hours remaining, 110.285156 MB of memory in use. ENERGY: 77400 658.1238 1901.3370 1976.9380 105.2115 -0.6627 -1057.6102 0.0000 0.0000 2677.9203 6261.2576 295.7838 3583.3373 6292.6822 296.1841 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: 306.779, 0.00394811/step Wall: 306.779, 0.00394811/step, 2.65664 hours remaining, 110.285156 MB of memory in use. ENERGY: 77600 668.2524 1856.8465 1987.3002 89.6061 -0.6600 -1059.3484 0.0000 0.0000 2705.0825 6247.0793 298.7839 3541.9968 6279.5752 297.2118 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: 307.569, 0.00394783/step Wall: 307.569, 0.00394783/step, 2.65623 hours remaining, 110.285156 MB of memory in use. ENERGY: 77800 694.1363 1851.6934 2019.3885 124.4474 -1.1955 -1066.3238 0.0000 0.0000 2653.5652 6275.7113 293.0937 3622.1461 6305.5019 297.7124 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: 308.359, 0.00394727/step Wall: 308.359, 0.00394727/step, 2.65563 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 78000 655.8887 1817.4806 2000.4276 110.6677 -0.5694 -1037.6890 0.0000 0.0000 2664.1065 6210.3128 294.2580 3546.2063 6241.8837 296.6506 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: 309.147, 0.00394241/step Wall: 309.147, 0.00394241/step, 2.65215 hours remaining, 110.285156 MB of memory in use. ENERGY: 78200 639.7399 1829.6017 2009.4830 105.7397 -1.9775 -1049.8577 0.0000 0.0000 2701.0413 6233.7702 298.3375 3532.7289 6266.9021 295.0901 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: 309.937, 0.00394781/step Wall: 309.937, 0.00394781/step, 2.65556 hours remaining, 110.285156 MB of memory in use. ENERGY: 78400 665.2886 1861.5982 1996.4013 112.9048 -0.6340 -1061.3143 0.0000 0.0000 2689.4620 6263.7065 297.0586 3574.2445 6298.6698 295.7601 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: 310.726, 0.00394688/step Wall: 310.726, 0.00394688/step, 2.65471 hours remaining, 110.285156 MB of memory in use. ENERGY: 78600 672.1385 1829.4892 2039.6470 114.1546 -0.5639 -1080.3500 0.0000 0.0000 2679.7143 6254.2298 295.9819 3574.5155 6288.9028 296.8111 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: 311.516, 0.00395066/step Wall: 311.516, 0.00395066/step, 2.65704 hours remaining, 110.285156 MB of memory in use. ENERGY: 78800 634.5245 1852.3027 2027.8249 113.6372 -0.3586 -1081.8517 0.0000 0.0000 2699.1804 6245.2593 298.1320 3546.0789 6277.3979 295.8628 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: 312.306, 0.00394836/step Wall: 312.306, 0.00394836/step, 2.65527 hours remaining, 110.285156 MB of memory in use. ENERGY: 79000 632.6394 1927.2055 2028.4265 101.2452 -0.8451 -1071.5369 0.0000 0.0000 2652.9072 6270.0418 293.0210 3617.1346 6306.2939 297.9317 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: 313.094, 0.00394332/step Wall: 313.094, 0.00394332/step, 2.65166 hours remaining, 110.285156 MB of memory in use. ENERGY: 79200 662.8941 1873.2972 2001.4028 118.9441 -2.6520 -1067.5887 0.0000 0.0000 2707.1130 6293.4104 299.0082 3586.2974 6326.6175 297.6647 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: 313.885, 0.00395055/step Wall: 313.885, 0.00395055/step, 2.65631 hours remaining, 110.285156 MB of memory in use. ENERGY: 79400 691.9286 1834.4229 2032.5644 112.9362 -1.0521 -1062.6420 0.0000 0.0000 2754.3197 6362.4776 304.2223 3608.1579 6397.4688 301.0920 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: 314.675, 0.00395071/step Wall: 314.675, 0.00395071/step, 2.65619 hours remaining, 110.285156 MB of memory in use. ENERGY: 79600 643.9782 1834.9068 2017.4418 101.7969 -1.5644 -1010.1479 0.0000 0.0000 2744.7385 6331.1498 303.1640 3586.4113 6365.2511 301.4508 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: 315.464, 0.00394882/step Wall: 315.464, 0.00394882/step, 2.65471 hours remaining, 110.285156 MB of memory in use. ENERGY: 79800 665.5525 1819.3945 2048.6713 116.5509 -1.1646 -1043.3010 0.0000 0.0000 2747.4148 6353.1183 303.4596 3605.7036 6388.1093 301.6930 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: 316.253, 0.00394196/step Wall: 316.253, 0.00394196/step, 2.64987 hours remaining, 110.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 80000 694.2979 1834.1871 2043.4017 108.2076 -0.2322 -1022.4080 0.0000 0.0000 2687.7721 6345.2263 296.8719 3657.4542 6379.4816 299.9061 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 80000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 80000 WRITING COORDINATES TO RESTART FILE AT STEP 80000 FINISHED WRITING RESTART COORDINATES The last position output (seq=80000) takes 0.010 seconds, 110.285 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 80000 FINISHED WRITING RESTART VELOCITIES 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: 317.079, 0.00412864/step Wall: 317.079, 0.00412864/step, 2.77514 hours remaining, 110.285156 MB of memory in use. ENERGY: 80200 665.2733 1823.8034 2011.7512 124.3020 -1.1991 -1052.8460 0.0000 0.0000 2758.6736 6329.7584 304.7032 3571.0848 6364.7282 301.2986 LDB: ============= START OF LOAD BALANCING ============== 320.038 LDB: ============== END OF LOAD BALANCING =============== 320.038 LDB: =============== DONE WITH MIGRATION ================ 320.038 LDB: ============= START OF LOAD BALANCING ============== 320.433 LDB: ============== END OF LOAD BALANCING =============== 320.433 LDB: =============== DONE WITH MIGRATION ================ 320.433 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: 317.869, 0.00395124/step Wall: 317.869, 0.00395124/step, 2.65567 hours remaining, 110.285156 MB of memory in use. ENERGY: 80400 608.9822 1895.5064 2016.3795 104.7966 -1.7849 -1068.3011 0.0000 0.0000 2737.7854 6293.3642 302.3960 3555.5788 6329.3740 300.6774 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: 318.659, 0.00394907/step Wall: 318.659, 0.00394907/step, 2.65399 hours remaining, 110.285156 MB of memory in use. ENERGY: 80600 674.4784 1818.1379 2019.9380 117.2564 -1.4863 -1082.8401 0.0000 0.0000 2684.2843 6229.7686 296.4867 3545.4843 6261.6083 298.3728 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: 319.448, 0.00394928/step Wall: 319.448, 0.00394928/step, 2.65392 hours remaining, 110.289062 MB of memory in use. ENERGY: 80800 641.4513 1800.7433 2040.0031 117.5433 -1.4205 -1045.0010 0.0000 0.0000 2645.9544 6199.2739 292.2530 3553.3195 6232.1977 293.6528 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: 320.237, 0.00394194/step Wall: 320.237, 0.00394194/step, 2.64877 hours remaining, 110.289062 MB of memory in use. ENERGY: 81000 629.9526 1843.7865 2021.8556 108.8481 -1.0993 -1066.1793 0.0000 0.0000 2615.1888 6152.3531 288.8549 3537.1643 6187.2857 292.1969 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: 321.026, 0.00394808/step Wall: 321.026, 0.00394808/step, 2.65267 hours remaining, 110.289062 MB of memory in use. ENERGY: 81200 643.6956 1833.5739 2010.5917 108.0996 -2.4397 -1061.4569 0.0000 0.0000 2651.2544 6183.3185 292.8384 3532.0641 6213.9676 291.8320 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: 321.816, 0.00394732/step Wall: 321.816, 0.00394732/step, 2.65194 hours remaining, 110.289062 MB of memory in use. ENERGY: 81400 669.3050 1854.6892 1981.9977 106.7866 -2.0657 -1086.2505 0.0000 0.0000 2637.5869 6162.0493 291.3288 3524.4623 6197.0849 294.0859 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: 322.606, 0.00394841/step Wall: 322.606, 0.00394841/step, 2.65246 hours remaining, 110.289062 MB of memory in use. ENERGY: 81600 664.3622 1802.8380 2022.9496 99.1481 -2.3981 -1065.3632 0.0000 0.0000 2665.6118 6187.1484 294.4242 3521.5367 6220.1074 291.8846 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: 323.395, 0.00394837/step Wall: 323.395, 0.00394837/step, 2.6522 hours remaining, 110.289062 MB of memory in use. ENERGY: 81800 653.4449 1845.2529 2014.8750 104.7776 -1.2937 -1043.7132 0.0000 0.0000 2601.3396 6174.6831 287.3252 3573.3435 6205.7396 291.4757 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: 324.183, 0.00394104/step Wall: 324.183, 0.00394104/step, 2.64707 hours remaining, 110.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 82000 632.5446 1819.7499 2043.4571 96.6236 -1.9304 -1055.9216 0.0000 0.0000 2682.2463 6216.7696 296.2616 3534.5233 6252.3763 294.6813 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: 324.973, 0.00394734/step Wall: 324.973, 0.00394734/step, 2.65107 hours remaining, 110.289062 MB of memory in use. ENERGY: 82200 660.6747 1823.1039 2054.9313 102.7382 -1.5714 -1038.5552 0.0000 0.0000 2640.4317 6241.7532 291.6430 3601.3215 6272.4578 295.9178 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: 325.763, 0.00394776/step Wall: 325.763, 0.00394776/step, 2.65114 hours remaining, 110.289062 MB of memory in use. ENERGY: 82400 706.2323 1821.7871 2007.9592 110.4823 -1.6944 -1051.4574 0.0000 0.0000 2672.0030 6265.3121 295.1302 3593.3092 6298.8631 297.6709 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: 326.552, 0.00394592/step Wall: 326.552, 0.00394592/step, 2.64968 hours remaining, 110.289062 MB of memory in use. ENERGY: 82600 654.7042 1877.3225 2039.6139 122.3779 -0.6006 -1055.7560 0.0000 0.0000 2635.8341 6273.4960 291.1352 3637.6619 6304.1511 297.1451 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: 327.341, 0.00394682/step Wall: 327.341, 0.00394682/step, 2.65007 hours remaining, 110.289062 MB of memory in use. ENERGY: 82800 649.3997 1820.7168 2047.4425 104.1797 -1.2230 -1066.3242 0.0000 0.0000 2717.1639 6271.3553 300.1183 3554.1914 6307.5834 298.1291 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: 328.129, 0.00394119/step Wall: 328.129, 0.00394119/step, 2.64607 hours remaining, 110.289062 MB of memory in use. ENERGY: 83000 678.8189 1832.5527 2009.8962 114.1816 -1.6879 -1082.9997 0.0000 0.0000 2729.8624 6280.6244 301.5209 3550.7620 6313.2961 298.3542 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: 328.919, 0.0039479/step Wall: 328.919, 0.0039479/step, 2.65036 hours remaining, 110.289062 MB of memory in use. ENERGY: 83200 671.7880 1858.4960 2030.8882 102.0884 -2.2960 -1049.2293 0.0000 0.0000 2678.1558 6289.8910 295.8098 3611.7353 6322.2769 298.8487 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: 329.708, 0.00394766/step Wall: 329.708, 0.00394766/step, 2.64998 hours remaining, 110.289062 MB of memory in use. ENERGY: 83400 647.3870 1843.4508 2047.5180 104.6101 -1.1423 -1032.0697 0.0000 0.0000 2677.4282 6287.1823 295.7294 3609.7540 6320.8165 298.3964 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: 330.498, 0.00394677/step Wall: 330.498, 0.00394677/step, 2.64916 hours remaining, 110.289062 MB of memory in use. ENERGY: 83600 661.9314 1799.0398 2016.6756 112.3158 -3.4357 -1042.0099 0.0000 0.0000 2749.6529 6294.1698 303.7068 3544.5169 6328.8411 298.2140 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: 331.287, 0.0039449/step Wall: 331.287, 0.0039449/step, 2.64769 hours remaining, 110.289062 MB of memory in use. ENERGY: 83800 671.3136 1845.9014 2005.8141 98.0291 -1.7399 -1029.4708 0.0000 0.0000 2670.4668 6260.3144 294.9605 3589.8476 6293.8730 297.8180 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: 332.075, 0.00394211/step Wall: 332.075, 0.00394211/step, 2.64559 hours remaining, 110.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 84000 654.7037 1840.1429 2032.4714 107.1415 -0.7195 -1062.6425 0.0000 0.0000 2668.1109 6239.2084 294.7003 3571.0975 6271.6667 296.9156 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: 332.864, 0.00394493/step Wall: 332.864, 0.00394493/step, 2.64726 hours remaining, 110.289062 MB of memory in use. ENERGY: 84200 666.8207 1840.4024 1993.6891 96.7727 -0.5990 -1052.1907 0.0000 0.0000 2655.8158 6200.7110 293.3423 3544.8952 6235.7585 295.5055 LDB: ============= START OF LOAD BALANCING ============== 335.823 LDB: ============== END OF LOAD BALANCING =============== 335.823 LDB: =============== DONE WITH MIGRATION ================ 335.823 LDB: ============= START OF LOAD BALANCING ============== 336.219 LDB: ============== END OF LOAD BALANCING =============== 336.219 LDB: =============== DONE WITH MIGRATION ================ 336.219 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: 333.654, 0.0039507/step Wall: 333.654, 0.0039507/step, 2.65092 hours remaining, 110.289062 MB of memory in use. ENERGY: 84400 664.9349 1817.9096 1983.3814 111.3915 -1.2656 -1046.3090 0.0000 0.0000 2730.9536 6260.9964 301.6414 3530.0427 6294.6124 295.5984 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: 334.444, 0.00394623/step Wall: 334.444, 0.00394623/step, 2.6477 hours remaining, 110.289062 MB of memory in use. ENERGY: 84600 679.8458 1828.7181 1994.3826 101.0565 -1.3330 -1066.3227 0.0000 0.0000 2695.5640 6231.9112 297.7326 3536.3473 6267.3675 298.9252 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: 335.232, 0.00394016/step Wall: 335.232, 0.00394016/step, 2.64341 hours remaining, 110.289062 MB of memory in use. ENERGY: 84800 631.5993 1849.4619 2000.3156 114.8015 -3.2958 -985.3384 0.0000 0.0000 2681.7635 6289.3075 296.2082 3607.5440 6320.8611 297.6409 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: 336.021, 0.00394537/step Wall: 336.021, 0.00394537/step, 2.64669 hours remaining, 110.289062 MB of memory in use. ENERGY: 85000 633.1081 1847.3878 2036.2278 107.0215 -2.4439 -1065.1714 0.0000 0.0000 2745.5026 6301.6324 303.2484 3556.1297 6334.6847 298.9169 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: 336.81, 0.00394681/step Wall: 336.81, 0.00394681/step, 2.64744 hours remaining, 110.292969 MB of memory in use. ENERGY: 85200 648.3186 1847.5200 2035.8433 108.6245 -2.0564 -1024.0985 0.0000 0.0000 2709.7959 6323.9474 299.3045 3614.1515 6356.6286 301.6662 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: 337.6, 0.00394822/step Wall: 337.6, 0.00394822/step, 2.64816 hours remaining, 110.292969 MB of memory in use. ENERGY: 85400 685.9046 1852.0632 2018.9941 112.3975 -2.2895 -1029.4789 0.0000 0.0000 2679.9415 6317.5325 296.0070 3637.5910 6348.6079 299.6235 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: 338.39, 0.00395386/step Wall: 338.39, 0.00395386/step, 2.65172 hours remaining, 110.292969 MB of memory in use. ENERGY: 85600 623.3948 1893.2414 2018.8151 104.0381 -1.4316 -1056.0073 0.0000 0.0000 2740.9128 6322.9632 302.7415 3582.0504 6355.9254 299.2951 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: 339.178, 0.00394004/step Wall: 339.178, 0.00394004/step, 2.64224 hours remaining, 110.292969 MB of memory in use. ENERGY: 85800 643.8172 1829.6183 1989.3478 109.5385 -1.3924 -1071.2709 0.0000 0.0000 2760.0706 6259.7290 304.8575 3499.6584 6294.7003 298.3289 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: 339.97, 0.00395706/step Wall: 339.97, 0.00395706/step, 2.65343 hours remaining, 110.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 86000 656.7807 1829.9237 1953.7477 101.3821 -0.2111 -1058.0207 0.0000 0.0000 2742.2480 6225.8503 302.8889 3483.6023 6258.1722 297.7558 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: 340.759, 0.00394633/step Wall: 340.759, 0.00394633/step, 2.64601 hours remaining, 110.292969 MB of memory in use. ENERGY: 86200 600.6416 1846.0363 1999.2957 116.3264 -0.2615 -995.8320 0.0000 0.0000 2675.6262 6241.8325 295.5304 3566.2064 6273.6637 296.8802 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: 341.549, 0.00394799/step Wall: 341.549, 0.00394799/step, 2.6469 hours remaining, 110.292969 MB of memory in use. ENERGY: 86400 661.5971 1848.2059 1998.5521 119.8265 -0.1279 -1054.2933 0.0000 0.0000 2643.0917 6216.8521 291.9368 3573.7604 6247.6045 296.0104 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: 342.338, 0.00394568/step Wall: 342.338, 0.00394568/step, 2.64514 hours remaining, 110.292969 MB of memory in use. ENERGY: 86600 680.6924 1837.9182 1996.5357 108.6909 -1.8752 -1051.5290 0.0000 0.0000 2642.3919 6212.8249 291.8595 3570.4330 6243.3402 293.5344 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: 343.126, 0.00393928/step Wall: 343.126, 0.00393927/step, 2.64062 hours remaining, 110.292969 MB of memory in use. ENERGY: 86800 645.9508 1841.4295 1964.2981 105.2874 -0.4865 -1055.8234 0.0000 0.0000 2727.7505 6228.4065 301.2876 3500.6560 6262.8588 295.1098 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: 343.914, 0.00394372/step Wall: 343.914, 0.00394372/step, 2.64339 hours remaining, 110.292969 MB of memory in use. ENERGY: 87000 658.8461 1873.1192 2000.7848 105.7651 -0.9931 -1092.0023 0.0000 0.0000 2686.2157 6231.7355 296.7000 3545.5198 6263.0907 296.0305 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: 344.703, 0.00394388/step Wall: 344.703, 0.00394389/step, 2.64328 hours remaining, 110.292969 MB of memory in use. ENERGY: 87200 664.6522 1820.0560 2001.5938 105.2822 -0.2650 -1000.3461 0.0000 0.0000 2658.5180 6249.4911 293.6407 3590.9731 6279.7145 297.0787 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: 345.493, 0.00394647/step Wall: 345.493, 0.00394647/step, 2.64479 hours remaining, 110.292969 MB of memory in use. ENERGY: 87400 673.5421 1826.6055 2009.1333 117.3099 -1.0886 -1025.8345 0.0000 0.0000 2653.4215 6253.0892 293.0778 3599.6677 6287.4437 296.1323 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: 346.28, 0.00393985/step Wall: 346.28, 0.00393985/step, 2.64014 hours remaining, 110.292969 MB of memory in use. ENERGY: 87600 655.9948 1822.1571 2005.4181 112.6965 -2.4548 -1025.8022 0.0000 0.0000 2668.8732 6236.8829 294.7845 3568.0096 6270.9554 295.3650 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: 347.07, 0.00394596/step Wall: 347.07, 0.00394596/step, 2.64402 hours remaining, 110.292969 MB of memory in use. ENERGY: 87800 654.8005 1849.9785 1996.7138 96.3484 -2.1842 -1021.3130 0.0000 0.0000 2667.9314 6242.2755 294.6805 3574.3441 6273.7954 294.9114 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: 347.859, 0.00394591/step Wall: 347.859, 0.00394591/step, 2.64376 hours remaining, 110.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 88000 656.9367 1794.5652 2008.2634 110.3147 -0.7430 -1032.0960 0.0000 0.0000 2752.4924 6289.7335 304.0205 3537.2410 6323.5808 298.7673 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: 348.648, 0.00394563/step Wall: 348.648, 0.00394563/step, 2.64335 hours remaining, 110.292969 MB of memory in use. ENERGY: 88200 677.8205 1820.7263 1989.3866 105.7745 -0.6568 -1042.6308 0.0000 0.0000 2764.1028 6314.5231 305.3029 3550.4203 6349.9509 299.8523 LDB: ============= START OF LOAD BALANCING ============== 351.606 LDB: ============== END OF LOAD BALANCING =============== 351.606 LDB: =============== DONE WITH MIGRATION ================ 351.607 LDB: ============= START OF LOAD BALANCING ============== 352.003 LDB: ============== END OF LOAD BALANCING =============== 352.003 LDB: =============== DONE WITH MIGRATION ================ 352.003 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: 349.438, 0.00395205/step Wall: 349.438, 0.00395205/step, 2.64744 hours remaining, 110.292969 MB of memory in use. ENERGY: 88400 676.0243 1934.2790 2010.7501 107.1541 0.3836 -1055.9354 0.0000 0.0000 2676.6744 6349.3301 295.6461 3672.6557 6382.4596 300.7288 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: 350.226, 0.00393882/step Wall: 350.226, 0.00393882/step, 2.63835 hours remaining, 110.292969 MB of memory in use. ENERGY: 88600 677.9908 1868.2358 1992.2050 108.0720 -1.8418 -1056.8587 0.0000 0.0000 2754.7658 6342.5689 304.2716 3587.8031 6376.5830 301.8595 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: 351.016, 0.00394732/step Wall: 351.016, 0.00394732/step, 2.64383 hours remaining, 110.292969 MB of memory in use. ENERGY: 88800 663.0744 1858.3044 2000.5624 97.6017 -2.2122 -1014.0433 0.0000 0.0000 2696.9931 6300.2806 297.8904 3603.2874 6331.7688 300.8381 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: 351.805, 0.00394544/step Wall: 351.805, 0.00394544/step, 2.64235 hours remaining, 110.292969 MB of memory in use. ENERGY: 89000 638.8411 1820.0984 2020.7822 106.2502 -0.3261 -1046.2829 0.0000 0.0000 2679.6421 6219.0050 295.9739 3539.3629 6255.2375 295.9465 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: 352.594, 0.00394585/step Wall: 352.594, 0.00394585/step, 2.6424 hours remaining, 110.292969 MB of memory in use. ENERGY: 89200 645.9225 1864.4711 1994.0094 99.3318 -0.5476 -1084.2317 0.0000 0.0000 2714.7528 6233.7082 299.8520 3518.9554 6268.1217 294.6147 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: 353.383, 0.00394791/step Wall: 353.383, 0.00394791/step, 2.64356 hours remaining, 110.292969 MB of memory in use. ENERGY: 89400 650.5255 1847.8732 1995.9137 115.1435 -0.6324 -1069.7748 0.0000 0.0000 2685.3395 6224.3881 296.6032 3539.0486 6257.1058 295.9856 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: 354.171, 0.00393924/step Wall: 354.171, 0.00393924/step, 2.63754 hours remaining, 110.292969 MB of memory in use. ENERGY: 89600 610.9608 1871.1382 1992.9437 110.9037 -0.0126 -1025.2119 0.0000 0.0000 2698.3816 6259.1035 298.0438 3560.7219 6291.1531 296.6651 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: 354.961, 0.00394696/step Wall: 354.961, 0.00394696/step, 2.64249 hours remaining, 110.292969 MB of memory in use. ENERGY: 89800 663.1471 1887.9406 2003.7217 103.9232 0.2540 -1037.1077 0.0000 0.0000 2651.6846 6273.5634 292.8859 3621.8788 6302.7081 296.6335 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: 355.751, 0.00395206/step Wall: 355.751, 0.00395206/step, 2.64568 hours remaining, 110.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 90000 661.1121 1793.2501 1994.7711 100.8035 0.0611 -1015.3786 0.0000 0.0000 2726.5915 6261.2108 301.1596 3534.6193 6295.7009 298.0219 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 90000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 90000 WRITING COORDINATES TO RESTART FILE AT STEP 90000 FINISHED WRITING RESTART COORDINATES The last position output (seq=90000) takes 0.017 seconds, 110.293 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 90000 FINISHED WRITING RESTART VELOCITIES 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: 356.6, 0.00424586/step Wall: 356.6, 0.00424587/step, 2.84214 hours remaining, 110.292969 MB of memory in use. ENERGY: 90200 651.9876 1849.2075 1960.1922 105.6852 -0.6051 -1037.6869 0.0000 0.0000 2711.5436 6240.3241 299.4975 3528.7805 6272.6080 297.8064 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: 357.391, 0.0039517/step Wall: 357.391, 0.0039517/step, 2.64501 hours remaining, 110.292969 MB of memory in use. ENERGY: 90400 657.9144 1820.0396 2000.1443 111.5501 -0.7810 -1085.6512 0.0000 0.0000 2694.2005 6197.4168 297.5820 3503.2162 6232.2159 294.7216 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: 358.179, 0.0039396/step Wall: 358.179, 0.0039396/step, 2.63668 hours remaining, 110.296875 MB of memory in use. ENERGY: 90600 672.2450 1873.3317 1983.6502 117.8213 -0.5518 -1077.6142 0.0000 0.0000 2665.3704 6234.2526 294.3976 3568.8821 6264.9595 295.8342 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: 358.968, 0.003948/step Wall: 358.968, 0.003948/step, 2.64209 hours remaining, 110.296875 MB of memory in use. ENERGY: 90800 655.5375 1813.3756 1996.3547 105.2539 -0.4314 -1042.4227 0.0000 0.0000 2692.8311 6220.4986 297.4307 3527.6675 6256.2137 297.8777 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: 359.758, 0.00394717/step Wall: 359.758, 0.00394717/step, 2.64131 hours remaining, 110.296875 MB of memory in use. ENERGY: 91000 644.4313 1843.3147 1981.8707 100.8689 -1.0517 -1049.4352 0.0000 0.0000 2726.0424 6246.0410 301.0990 3519.9986 6279.3601 294.9670 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: 360.547, 0.00394688/step Wall: 360.547, 0.00394688/step, 2.6409 hours remaining, 110.296875 MB of memory in use. ENERGY: 91200 629.6466 1856.2593 2023.2157 93.6908 0.5321 -1031.7728 0.0000 0.0000 2706.1879 6277.7596 298.9060 3571.5718 6313.9588 297.0889 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: 361.335, 0.0039391/step Wall: 361.335, 0.00393911/step, 2.63548 hours remaining, 110.296875 MB of memory in use. ENERGY: 91400 660.8223 1835.4563 2017.5677 114.6040 0.4797 -1040.9599 0.0000 0.0000 2716.6367 6304.6067 300.0601 3587.9701 6338.0849 299.6400 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: 362.124, 0.00394584/step Wall: 362.124, 0.00394584/step, 2.63977 hours remaining, 110.296875 MB of memory in use. ENERGY: 91600 679.8826 1836.3294 1998.4715 98.2750 0.8136 -1057.7027 0.0000 0.0000 2669.2257 6225.2951 294.8234 3556.0694 6257.9369 297.8106 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: 362.913, 0.00394439/step Wall: 362.913, 0.00394439/step, 2.63858 hours remaining, 110.296875 MB of memory in use. ENERGY: 91800 694.4168 1867.3542 1989.9192 95.6228 0.6722 -1047.0649 0.0000 0.0000 2644.1162 6245.0366 292.0500 3600.9203 6275.8856 295.3446 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: 363.702, 0.00394735/step Wall: 363.702, 0.00394735/step, 2.64034 hours remaining, 110.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 92000 655.7051 1864.7646 1983.4353 127.9425 1.7557 -1051.1967 0.0000 0.0000 2697.7895 6280.1960 297.9784 3582.4065 6311.5466 295.8835 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: 364.492, 0.00394799/step Wall: 364.492, 0.00394799/step, 2.64055 hours remaining, 110.296875 MB of memory in use. ENERGY: 92200 620.4763 1895.8357 2020.8978 110.0695 -1.5243 -1000.1663 0.0000 0.0000 2700.8925 6346.4811 298.3211 3645.5886 6380.1246 300.1217 LDB: ============= START OF LOAD BALANCING ============== 367.45 LDB: ============== END OF LOAD BALANCING =============== 367.45 LDB: =============== DONE WITH MIGRATION ================ 367.45 LDB: ============= START OF LOAD BALANCING ============== 367.845 LDB: ============== END OF LOAD BALANCING =============== 367.845 LDB: =============== DONE WITH MIGRATION ================ 367.845 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: 365.281, 0.00394497/step Wall: 365.281, 0.00394497/step, 2.63831 hours remaining, 110.296875 MB of memory in use. ENERGY: 92400 666.8761 1827.9367 1999.1849 119.0036 -0.0417 -1013.3846 0.0000 0.0000 2711.0797 6310.6546 299.4463 3599.5750 6345.3818 299.7759 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: 366.071, 0.00394819/step Wall: 366.071, 0.00394819/step, 2.64025 hours remaining, 110.296875 MB of memory in use. ENERGY: 92600 659.6781 1864.8319 2032.1288 113.2831 0.2013 -1076.1541 0.0000 0.0000 2702.5430 6296.5121 298.5034 3593.9691 6328.5763 298.9199 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: 366.86, 0.0039469/step Wall: 366.86, 0.0039469/step, 2.63916 hours remaining, 110.296875 MB of memory in use. ENERGY: 92800 628.0978 1896.0636 2004.2409 111.3371 -1.1725 -1020.4934 0.0000 0.0000 2680.8870 6298.9604 296.1114 3618.0734 6329.5134 298.4318 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: 367.65, 0.00394915/step Wall: 367.65, 0.00394915/step, 2.64045 hours remaining, 110.296875 MB of memory in use. ENERGY: 93000 646.7997 1829.3293 2001.8789 111.3077 -0.0762 -1005.3063 0.0000 0.0000 2727.6506 6311.5837 301.2766 3583.9331 6345.5297 299.5856 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: 368.439, 0.00394768/step Wall: 368.439, 0.00394767/step, 2.63924 hours remaining, 110.296875 MB of memory in use. ENERGY: 93200 645.4107 1863.1398 1973.4516 105.2660 -0.6368 -996.8614 0.0000 0.0000 2733.0587 6322.8286 301.8739 3589.7699 6354.9822 300.9255 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: 369.228, 0.00394175/step Wall: 369.228, 0.00394176/step, 2.63506 hours remaining, 110.296875 MB of memory in use. ENERGY: 93400 663.1015 1906.3591 1991.9226 109.7045 -0.4363 -1042.5737 0.0000 0.0000 2728.6199 6356.6976 301.3837 3628.0778 6388.6195 301.0475 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: 370.017, 0.00394778/step Wall: 370.017, 0.00394778/step, 2.63887 hours remaining, 110.296875 MB of memory in use. ENERGY: 93600 652.0534 1877.4066 1997.5040 110.5523 -2.3204 -1044.4373 0.0000 0.0000 2800.0046 6390.7631 309.2683 3590.7585 6424.2255 304.0376 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: 370.807, 0.00394882/step Wall: 370.807, 0.00394882/step, 2.63935 hours remaining, 110.296875 MB of memory in use. ENERGY: 93800 660.4405 1924.4687 1981.2967 105.9618 -2.1418 -1064.4947 0.0000 0.0000 2743.6470 6349.1782 303.0435 3605.5311 6380.9239 305.1824 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: 371.597, 0.00394802/step Wall: 371.597, 0.00394802/step, 2.63859 hours remaining, 110.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 94000 654.9604 1888.6682 1995.2393 114.5102 -0.8926 -1000.5458 0.0000 0.0000 2702.1895 6354.1291 298.4644 3651.9396 6387.1781 303.3087 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: 372.386, 0.00394764/step Wall: 372.386, 0.00394764/step, 2.63812 hours remaining, 110.296875 MB of memory in use. ENERGY: 94200 685.2448 1836.7926 1990.3052 124.7035 -1.7126 -1041.8867 0.0000 0.0000 2699.1605 6292.6074 298.1298 3593.4468 6327.1384 301.6985 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: 373.174, 0.00394175/step Wall: 373.174, 0.00394175/step, 2.63396 hours remaining, 110.296875 MB of memory in use. ENERGY: 94400 658.3639 1852.6170 2005.7795 100.3156 -1.4831 -1063.7357 0.0000 0.0000 2698.9463 6250.8035 298.1061 3551.8572 6284.5888 298.0856 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: 373.964, 0.00394675/step Wall: 373.964, 0.00394675/step, 2.63709 hours remaining, 110.296875 MB of memory in use. ENERGY: 94600 658.8298 1828.1281 1989.3427 115.3808 -1.6052 -1020.7125 0.0000 0.0000 2733.4716 6302.8352 301.9196 3569.3637 6339.0771 299.9001 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: 374.753, 0.00394729/step Wall: 374.753, 0.00394729/step, 2.63723 hours remaining, 110.296875 MB of memory in use. ENERGY: 94800 649.6331 1897.0675 1997.9789 102.9505 -0.0642 -1091.8457 0.0000 0.0000 2700.8540 6256.5741 298.3168 3555.7202 6288.5090 299.8633 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: 375.543, 0.00394851/step Wall: 375.543, 0.00394851/step, 2.63783 hours remaining, 110.296875 MB of memory in use. ENERGY: 95000 608.3916 1907.5896 1982.3523 110.1958 -0.4865 -1064.2463 0.0000 0.0000 2659.0288 6202.8252 293.6971 3543.7965 6236.5036 295.7318 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: 376.331, 0.00394052/step Wall: 376.331, 0.00394052/step, 2.63227 hours remaining, 110.296875 MB of memory in use. ENERGY: 95200 617.0134 1884.1043 2002.9878 127.4176 -0.3881 -1060.8082 0.0000 0.0000 2670.6686 6240.9953 294.9828 3570.3268 6274.0134 296.8615 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: 377.121, 0.00394874/step Wall: 377.121, 0.00394874/step, 2.63754 hours remaining, 110.296875 MB of memory in use. ENERGY: 95400 642.7979 1863.5820 1974.0087 106.6115 -1.2079 -1044.2593 0.0000 0.0000 2715.0372 6256.5701 299.8834 3541.5329 6286.7353 297.7508 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: 377.91, 0.00394727/step Wall: 377.91, 0.00394727/step, 2.63634 hours remaining, 110.296875 MB of memory in use. ENERGY: 95600 672.7949 1902.4764 1997.2830 97.2421 -0.6512 -1062.9246 0.0000 0.0000 2676.5049 6282.7256 295.6274 3606.2207 6315.0049 298.2785 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: 378.701, 0.00395281/step Wall: 378.701, 0.00395281/step, 2.63982 hours remaining, 110.296875 MB of memory in use. ENERGY: 95800 651.8478 1824.3468 2017.0793 118.1500 -1.6812 -1078.9637 0.0000 0.0000 2727.2052 6257.9841 301.2274 3530.7790 6292.3604 299.3645 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: 379.491, 0.00394907/step Wall: 379.491, 0.00394907/step, 2.6371 hours remaining, 110.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 96000 629.5553 1839.1960 1977.3210 111.0645 -2.0686 -1067.2598 0.0000 0.0000 2714.9799 6202.7883 299.8771 3487.8084 6235.3138 296.1020 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: 380.279, 0.00394143/step Wall: 380.279, 0.00394143/step, 2.63178 hours remaining, 110.296875 MB of memory in use. ENERGY: 96200 671.8964 1864.2653 1975.8204 94.8220 -2.0483 -1055.2558 0.0000 0.0000 2650.2820 6199.7819 292.7310 3549.5000 6228.3316 296.1084 LDB: ============= START OF LOAD BALANCING ============== 383.239 LDB: ============== END OF LOAD BALANCING =============== 383.239 LDB: =============== DONE WITH MIGRATION ================ 383.239 LDB: ============= START OF LOAD BALANCING ============== 383.634 LDB: ============== END OF LOAD BALANCING =============== 383.634 LDB: =============== DONE WITH MIGRATION ================ 383.634 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: 381.07, 0.00395357/step Wall: 381.07, 0.00395357/step, 2.63967 hours remaining, 110.296875 MB of memory in use. ENERGY: 96400 652.1159 1855.1047 1969.7216 98.9290 -2.0206 -1035.1869 0.0000 0.0000 2654.0286 6192.6923 293.1449 3538.6637 6223.7214 295.5059 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: 381.859, 0.00394644/step Wall: 381.859, 0.00394644/step, 2.63468 hours remaining, 110.296875 MB of memory in use. ENERGY: 96600 656.1785 1820.6395 1971.6010 100.5298 -3.6790 -1047.8621 0.0000 0.0000 2756.4773 6253.8851 304.4606 3497.4078 6288.0293 297.0877 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: 382.648, 0.00394671/step Wall: 382.648, 0.00394671/step, 2.63465 hours remaining, 110.296875 MB of memory in use. ENERGY: 96800 640.1603 1829.6472 2013.3819 111.4917 -0.8545 -1035.8510 0.0000 0.0000 2671.5191 6229.4946 295.0767 3557.9755 6263.8748 297.6089 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: 383.438, 0.00394947/step Wall: 383.438, 0.00394947/step, 2.63627 hours remaining, 110.296875 MB of memory in use. ENERGY: 97000 621.2102 1803.3105 1978.8270 97.1086 -2.1964 -1041.2599 0.0000 0.0000 2734.3663 6191.3663 302.0184 3457.0000 6228.5273 294.8748 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: 384.226, 0.00393886/step Wall: 384.226, 0.00393886/step, 2.62897 hours remaining, 110.296875 MB of memory in use. ENERGY: 97200 658.7293 1820.1008 2034.7746 98.0321 -2.5100 -1078.8024 0.0000 0.0000 2659.1500 6189.4743 293.7105 3530.3243 6222.9725 294.0354 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: 385.015, 0.0039477/step Wall: 385.015, 0.0039477/step, 2.63465 hours remaining, 110.296875 MB of memory in use. ENERGY: 97400 638.6722 1809.2182 2010.9872 117.2439 -1.3782 -1077.9979 0.0000 0.0000 2677.0411 6173.7864 295.6866 3496.7453 6207.3605 292.8086 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: 385.805, 0.00394892/step Wall: 385.805, 0.00394892/step, 2.63524 hours remaining, 110.296875 MB of memory in use. ENERGY: 97600 609.9863 1845.5299 1997.0477 105.6800 -2.1071 -1040.7942 0.0000 0.0000 2664.3900 6179.7325 294.2893 3515.3426 6210.6647 293.9313 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: 386.595, 0.00394724/step Wall: 386.595, 0.00394724/step, 2.63391 hours remaining, 110.296875 MB of memory in use. ENERGY: 97800 633.3716 1852.1991 2003.3659 107.3791 -0.3935 -1053.2196 0.0000 0.0000 2685.9643 6228.6670 296.6722 3542.7027 6261.0663 295.9001 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: 387.383, 0.00394106/step Wall: 387.383, 0.00394106/step, 2.62956 hours remaining, 110.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 98000 638.1576 1918.3583 2004.2828 100.8505 -0.8048 -1089.1964 0.0000 0.0000 2701.7853 6273.4332 298.4197 3571.6479 6307.1078 297.0095 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: 388.173, 0.00394934/step Wall: 388.173, 0.00394934/step, 2.63487 hours remaining, 110.300781 MB of memory in use. ENERGY: 98200 681.5022 1849.4261 2029.5439 121.5877 -0.5321 -1074.6224 0.0000 0.0000 2691.7659 6298.6712 297.3130 3606.9053 6329.7680 299.2831 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: 388.962, 0.00394759/step Wall: 388.962, 0.00394759/step, 2.63348 hours remaining, 110.300781 MB of memory in use. ENERGY: 98400 653.3836 1877.2585 1993.8923 117.4310 1.2080 -1039.0003 0.0000 0.0000 2716.9110 6321.0842 300.0904 3604.1731 6353.4030 298.1125 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: 389.752, 0.00394956/step Wall: 389.752, 0.00394956/step, 2.63458 hours remaining, 110.300781 MB of memory in use. ENERGY: 98600 656.5007 1885.1310 1992.8777 108.4521 0.0337 -1031.6151 0.0000 0.0000 2701.4724 6312.8526 298.3852 3611.3802 6347.2359 301.1165 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: 390.542, 0.00394685/step Wall: 390.542, 0.00394685/step, 2.63255 hours remaining, 110.300781 MB of memory in use. ENERGY: 98800 664.9447 1925.7410 2009.0468 110.9399 0.8355 -1074.1123 0.0000 0.0000 2703.7937 6341.1893 298.6415 3637.3956 6371.7005 300.5099 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: 391.33, 0.00394204/step Wall: 391.33, 0.00394204/step, 2.62912 hours remaining, 110.300781 MB of memory in use. ENERGY: 99000 659.3425 1878.9934 2005.8664 117.0847 1.5678 -1030.1393 0.0000 0.0000 2733.0173 6365.7328 301.8694 3632.7156 6398.4434 303.4310 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: 392.119, 0.00394623/step Wall: 392.119, 0.00394622/step, 2.63169 hours remaining, 110.300781 MB of memory in use. ENERGY: 99200 683.4800 1855.5699 2061.0399 108.6601 -0.0222 -1064.8087 0.0000 0.0000 2745.3982 6389.3173 303.2369 3643.9191 6423.5358 305.2518 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: 392.909, 0.00394674/step Wall: 392.909, 0.00394675/step, 2.63182 hours remaining, 110.300781 MB of memory in use. ENERGY: 99400 660.8855 1868.2222 2007.1050 107.9200 0.8609 -1041.7826 0.0000 0.0000 2745.2440 6348.4550 303.2198 3603.2110 6379.7993 304.1824 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: 393.698, 0.00394862/step Wall: 393.698, 0.00394862/step, 2.63285 hours remaining, 110.300781 MB of memory in use. ENERGY: 99600 645.9101 1902.4925 2006.3366 96.8856 -0.0559 -1050.4177 0.0000 0.0000 2719.7727 6320.9240 300.4065 3601.1513 6355.4331 302.6761 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: 394.488, 0.00394681/step Wall: 394.488, 0.00394681/step, 2.63142 hours remaining, 110.300781 MB of memory in use. ENERGY: 99800 683.6311 1826.2231 2008.8203 113.8546 1.7849 -1064.3789 0.0000 0.0000 2732.4158 6302.3509 301.8029 3569.9351 6337.8130 301.9673 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: 395.276, 0.00394203/step Wall: 395.276, 0.00394202/step, 2.62802 hours remaining, 110.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 100000 666.7897 1838.3523 1992.1489 117.5100 1.5550 -1042.0315 0.0000 0.0000 2699.9254 6274.2500 298.2143 3574.3245 6307.4140 300.8232 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.010 seconds, 110.383 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES 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: 396.101, 0.00412459/step Wall: 396.101, 0.0041246/step, 2.7495 hours remaining, 110.382812 MB of memory in use. ENERGY: 100200 633.9264 1892.2509 2007.4185 108.2367 0.3222 -1063.6371 0.0000 0.0000 2745.7678 6324.2856 303.2777 3578.5177 6356.4782 299.3450 LDB: ============= START OF LOAD BALANCING ============== 399.061 LDB: ============== END OF LOAD BALANCING =============== 399.061 LDB: =============== DONE WITH MIGRATION ================ 399.061 LDB: ============= START OF LOAD BALANCING ============== 399.456 LDB: ============== END OF LOAD BALANCING =============== 399.456 LDB: =============== DONE WITH MIGRATION ================ 399.456 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: 396.892, 0.00395401/step Wall: 396.892, 0.00395401/step, 2.63557 hours remaining, 110.382812 MB of memory in use. ENERGY: 100400 642.9717 1888.5334 2041.3750 110.5893 0.0021 -1035.2094 0.0000 0.0000 2659.6229 6307.8848 293.7628 3648.2619 6337.5984 301.8629 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: 397.682, 0.0039501/step Wall: 397.682, 0.0039501/step, 2.63274 hours remaining, 110.382812 MB of memory in use. ENERGY: 100600 636.1511 1845.9466 2021.7893 112.8567 -0.5021 -1035.1699 0.0000 0.0000 2743.7671 6324.8389 303.0567 3581.0718 6357.1220 301.9488 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: 398.472, 0.00395017/step Wall: 398.472, 0.00395017/step, 2.63257 hours remaining, 110.382812 MB of memory in use. ENERGY: 100800 632.2403 1875.8919 2022.2719 114.9409 0.7041 -1105.1437 0.0000 0.0000 2787.6264 6328.5318 307.9011 3540.9054 6361.5261 302.5167 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: 399.26, 0.00394087/step Wall: 399.26, 0.00394087/step, 2.62615 hours remaining, 110.382812 MB of memory in use. ENERGY: 101000 667.7101 1880.6010 2010.0863 131.6687 0.1047 -1056.1384 0.0000 0.0000 2723.3458 6357.3781 300.8011 3634.0324 6385.6527 303.2719 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: 400.052, 0.0039584/step Wall: 400.052, 0.0039584/step, 2.63761 hours remaining, 110.382812 MB of memory in use. ENERGY: 101200 653.0207 1886.3373 2029.8715 113.1489 0.1099 -1064.1258 0.0000 0.0000 2704.3230 6322.6856 298.7000 3618.3626 6356.4842 302.5090 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: 400.842, 0.00395303/step Wall: 400.842, 0.00395303/step, 2.63381 hours remaining, 110.382812 MB of memory in use. ENERGY: 101400 631.9488 1865.1350 2033.1518 106.1224 0.2123 -1053.4691 0.0000 0.0000 2767.1413 6350.2425 305.6385 3583.1012 6385.4525 301.2756 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: 401.633, 0.00395368/step Wall: 401.633, 0.00395368/step, 2.63403 hours remaining, 110.382812 MB of memory in use. ENERGY: 101600 669.4402 1794.2222 2002.0299 116.5461 0.1243 -1062.1196 0.0000 0.0000 2781.2962 6301.5392 307.2019 3520.2431 6338.1118 301.0408 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: 402.422, 0.00394403/step Wall: 402.422, 0.00394403/step, 2.62738 hours remaining, 110.382812 MB of memory in use. ENERGY: 101800 668.5474 1885.0649 2014.6655 101.6425 1.0319 -1070.2457 0.0000 0.0000 2736.1172 6336.8236 302.2118 3600.7065 6370.4377 301.4132 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: 403.211, 0.0039467/step Wall: 403.211, 0.0039467/step, 2.62894 hours remaining, 110.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 102000 658.7313 1897.8957 2040.2966 115.2092 1.5250 -1081.2765 0.0000 0.0000 2680.9639 6313.3451 296.1199 3632.3812 6348.7606 301.8947 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: 404.001, 0.00394796/step Wall: 404.001, 0.00394796/step, 2.62956 hours remaining, 110.382812 MB of memory in use. ENERGY: 102200 681.5984 1877.6916 1998.7917 115.0618 -0.7322 -1061.0360 0.0000 0.0000 2754.2410 6365.6163 304.2136 3611.3753 6399.9168 303.2560 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: 404.79, 0.00394735/step Wall: 404.79, 0.00394735/step, 2.62893 hours remaining, 110.382812 MB of memory in use. ENERGY: 102400 689.3685 1889.1474 2002.8307 105.5130 -0.3179 -1033.2710 0.0000 0.0000 2715.1753 6368.4461 299.8987 3653.2708 6397.5645 303.3489 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: 405.58, 0.00394809/step Wall: 405.58, 0.00394809/step, 2.62921 hours remaining, 110.382812 MB of memory in use. ENERGY: 102600 642.8406 1871.7775 1990.4977 102.8650 -0.4590 -1069.4669 0.0000 0.0000 2758.9952 6297.0501 304.7387 3538.0549 6328.7634 301.6695 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: 406.368, 0.00394076/step Wall: 406.368, 0.00394076/step, 2.62411 hours remaining, 110.382812 MB of memory in use. ENERGY: 102800 674.7615 1873.8005 1971.4244 106.0692 -1.1263 -1035.4329 0.0000 0.0000 2722.9866 6312.4829 300.7614 3589.4964 6342.7083 299.9592 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: 407.158, 0.00394966/step Wall: 407.158, 0.00394966/step, 2.62981 hours remaining, 110.382812 MB of memory in use. ENERGY: 103000 676.5039 1867.8874 2039.1752 102.2236 -0.8024 -1040.9945 0.0000 0.0000 2665.8287 6309.8218 294.4482 3643.9931 6340.2429 299.8311 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: 407.948, 0.00394802/step Wall: 407.948, 0.00394802/step, 2.62851 hours remaining, 110.382812 MB of memory in use. ENERGY: 103200 653.7538 1861.4342 2015.8720 115.6426 -3.4499 -1032.7148 0.0000 0.0000 2707.1718 6317.7097 299.0147 3610.5379 6349.1982 300.0021 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: 408.737, 0.00394884/step Wall: 408.737, 0.00394884/step, 2.62883 hours remaining, 110.382812 MB of memory in use. ENERGY: 103400 696.5596 1858.9658 1991.2154 122.5194 -1.5468 -1019.9264 0.0000 0.0000 2644.8903 6292.6771 292.1355 3647.7869 6324.1615 300.0042 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: 409.527, 0.00394914/step Wall: 409.527, 0.00394914/step, 2.62881 hours remaining, 110.382812 MB of memory in use. ENERGY: 103600 690.9272 1830.1719 2008.2085 116.3798 -1.2531 -1080.2486 0.0000 0.0000 2663.2239 6227.4095 294.1605 3564.1856 6259.5754 298.3866 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: 410.315, 0.00394171/step Wall: 410.315, 0.00394171/step, 2.62364 hours remaining, 110.382812 MB of memory in use. ENERGY: 103800 650.8673 1836.3691 1980.3838 97.7150 0.6926 -1062.7011 0.0000 0.0000 2704.7238 6208.0506 298.7443 3503.3268 6238.1270 294.8636 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: 411.105, 0.00395015/step Wall: 411.105, 0.00395015/step, 2.62904 hours remaining, 110.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 104000 684.8627 1796.9870 1970.3077 105.6839 -0.3129 -1024.6317 0.0000 0.0000 2685.8917 6218.7885 296.6642 3532.8968 6252.6674 294.8286 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: 411.896, 0.00395002/step Wall: 411.896, 0.00395002/step, 2.62874 hours remaining, 110.382812 MB of memory in use. ENERGY: 104200 642.8705 1797.0112 2005.0184 123.9636 -0.7613 -1072.2637 0.0000 0.0000 2701.3072 6197.1460 298.3669 3495.8388 6234.2556 295.2121 LDB: ============= START OF LOAD BALANCING ============== 414.854 LDB: ============== END OF LOAD BALANCING =============== 414.854 LDB: =============== DONE WITH MIGRATION ================ 414.854 LDB: ============= START OF LOAD BALANCING ============== 415.251 LDB: ============== END OF LOAD BALANCING =============== 415.251 LDB: =============== DONE WITH MIGRATION ================ 415.251 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: 412.686, 0.00395422/step Wall: 412.686, 0.00395422/step, 2.63132 hours remaining, 110.382812 MB of memory in use. ENERGY: 104400 616.1323 1871.9618 1967.8348 104.4391 0.3041 -1062.2394 0.0000 0.0000 2710.8367 6209.2695 299.4195 3498.4328 6244.9524 295.6309 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: 413.476, 0.00394946/step Wall: 413.476, 0.00394946/step, 2.62792 hours remaining, 110.382812 MB of memory in use. ENERGY: 104600 653.2059 1848.3654 1997.3707 119.1148 0.1444 -1078.8501 0.0000 0.0000 2695.6481 6234.9993 297.7418 3539.3511 6268.6769 296.2359 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: 414.265, 0.00394187/step Wall: 414.265, 0.00394187/step, 2.62266 hours remaining, 110.382812 MB of memory in use. ENERGY: 104800 689.6468 1899.5293 1993.4687 107.3013 -0.7981 -1096.1334 0.0000 0.0000 2722.1551 6315.1697 300.6696 3593.0147 6346.2894 299.9823 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: 415.055, 0.00395054/step Wall: 415.055, 0.00395054/step, 2.62821 hours remaining, 110.382812 MB of memory in use. ENERGY: 105000 650.0335 1888.4272 1962.0615 110.7312 -1.0193 -1023.5985 0.0000 0.0000 2693.5067 6280.1423 297.5053 3586.6355 6312.6429 301.0721 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: 415.845, 0.00394996/step Wall: 415.845, 0.00394996/step, 2.6276 hours remaining, 110.382812 MB of memory in use. ENERGY: 105200 697.0251 1881.9951 1973.0540 106.7574 0.8264 -1085.1191 0.0000 0.0000 2744.0488 6318.5878 303.0878 3574.5390 6353.7319 301.8010 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: 416.634, 0.00394831/step Wall: 416.634, 0.00394831/step, 2.62628 hours remaining, 110.382812 MB of memory in use. ENERGY: 105400 679.1536 1876.9287 1976.0844 118.4844 0.8713 -1025.0305 0.0000 0.0000 2757.1550 6383.6470 304.5355 3626.4920 6417.9213 303.1603 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: 417.423, 0.00394311/step Wall: 417.423, 0.00394311/step, 2.6226 hours remaining, 110.382812 MB of memory in use. ENERGY: 105600 657.4680 1869.3324 1999.9390 102.4474 -1.0912 -1032.5162 0.0000 0.0000 2785.1223 6380.7015 307.6245 3595.5792 6417.0212 304.1255 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: 418.213, 0.00394912/step Wall: 418.213, 0.00394912/step, 2.62639 hours remaining, 110.382812 MB of memory in use. ENERGY: 105800 645.0135 1895.8476 2015.9199 113.3821 -0.0343 -1044.0781 0.0000 0.0000 2780.7272 6406.7779 307.1391 3626.0507 6441.2928 305.3074 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: 419.005, 0.0039606/step Wall: 419.005, 0.0039606/step, 2.6338 hours remaining, 110.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 106000 629.2474 1876.5688 2017.2186 122.4740 0.1045 -1026.2022 0.0000 0.0000 2765.7752 6385.1864 305.4876 3619.4112 6421.0739 305.1009 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: 419.795, 0.00394892/step Wall: 419.795, 0.00394892/step, 2.62581 hours remaining, 110.382812 MB of memory in use. ENERGY: 106200 660.5544 1878.9411 2024.6220 105.1517 -0.7128 -1049.6989 0.0000 0.0000 2749.6183 6368.4759 303.7030 3618.8576 6403.4317 303.5855 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: 420.585, 0.00395108/step Wall: 420.585, 0.00395108/step, 2.62703 hours remaining, 110.382812 MB of memory in use. ENERGY: 106400 693.2876 1869.1650 1970.9929 98.0911 -1.0052 -1078.5207 0.0000 0.0000 2755.4163 6307.4269 304.3434 3552.0107 6342.3765 302.0212 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: 421.374, 0.00394345/step Wall: 421.374, 0.00394345/step, 2.62174 hours remaining, 110.382812 MB of memory in use. ENERGY: 106600 668.2077 1822.0366 1992.9576 112.5796 1.4428 -1052.5948 0.0000 0.0000 2734.7399 6279.3697 302.0596 3544.6297 6313.3743 300.5907 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: 422.163, 0.00394933/step Wall: 422.163, 0.00394933/step, 2.62542 hours remaining, 110.382812 MB of memory in use. ENERGY: 106800 663.8129 1827.4278 2043.3167 114.4034 1.1332 -1080.8492 0.0000 0.0000 2677.6572 6246.9020 295.7547 3569.2448 6278.3727 297.6300 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: 422.953, 0.00394967/step Wall: 422.953, 0.00394967/step, 2.62544 hours remaining, 110.382812 MB of memory in use. ENERGY: 107000 654.8262 1845.5146 1989.0915 109.0540 0.5384 -1070.4336 0.0000 0.0000 2694.5199 6223.1110 297.6172 3528.5911 6258.0593 296.0231 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: 423.743, 0.0039496/step Wall: 423.743, 0.0039496/step, 2.62516 hours remaining, 110.382812 MB of memory in use. ENERGY: 107200 642.4959 1849.5641 1961.9923 117.8029 0.9707 -1076.9578 0.0000 0.0000 2712.9923 6208.8603 299.6576 3495.8680 6244.2221 296.3595 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: 424.533, 0.0039493/step Wall: 424.533, 0.0039493/step, 2.62475 hours remaining, 110.382812 MB of memory in use. ENERGY: 107400 676.6454 1866.3654 1995.2189 115.4257 2.2939 -1082.4312 0.0000 0.0000 2684.4668 6257.9849 296.5068 3573.5181 6289.2632 295.5339 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: 425.322, 0.00394282/step Wall: 425.322, 0.00394282/step, 2.62022 hours remaining, 110.382812 MB of memory in use. ENERGY: 107600 695.8925 1836.3456 1977.2609 101.2894 1.3533 -1042.5390 0.0000 0.0000 2737.9805 6307.5833 302.4176 3569.6027 6337.6718 298.6470 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: 426.112, 0.00394996/step Wall: 426.112, 0.00394996/step, 2.62475 hours remaining, 110.382812 MB of memory in use. ENERGY: 107800 647.2969 1856.0349 2004.8770 104.6855 1.5909 -1020.1855 0.0000 0.0000 2655.1576 6249.4574 293.2696 3594.2998 6278.0924 297.8202 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: 426.901, 0.00394721/step Wall: 426.901, 0.00394721/step, 2.6227 hours remaining, 110.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 108000 640.4115 1872.6827 1976.2315 114.9874 1.9227 -1073.5140 0.0000 0.0000 2651.7951 6184.5168 292.8982 3532.7217 6216.7188 294.3648 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: 427.691, 0.00394821/step Wall: 427.691, 0.00394821/step, 2.62315 hours remaining, 110.382812 MB of memory in use. ENERGY: 108200 626.3158 1884.4379 2003.3330 98.2291 1.4591 -1090.4876 0.0000 0.0000 2671.6840 6194.9713 295.0949 3523.2873 6230.8566 293.4420 LDB: ============= START OF LOAD BALANCING ============== 430.649 LDB: ============== END OF LOAD BALANCING =============== 430.649 LDB: =============== DONE WITH MIGRATION ================ 430.65 LDB: ============= START OF LOAD BALANCING ============== 431.044 LDB: ============== END OF LOAD BALANCING =============== 431.044 LDB: =============== DONE WITH MIGRATION ================ 431.044 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: 428.48, 0.00394675/step Wall: 428.48, 0.00394675/step, 2.62196 hours remaining, 110.382812 MB of memory in use. ENERGY: 108400 643.3214 1808.5874 1997.9553 112.0363 1.3593 -1028.8940 0.0000 0.0000 2701.7935 6236.1592 298.4206 3534.3657 6270.0177 295.1918 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: 429.269, 0.00394439/step Wall: 429.269, 0.00394439/step, 2.62017 hours remaining, 110.382812 MB of memory in use. ENERGY: 108600 653.8607 1804.3974 1985.6871 107.2309 1.3450 -1006.7678 0.0000 0.0000 2676.0648 6221.8181 295.5788 3545.7534 6251.4073 294.3704 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: 430.058, 0.00394672/step Wall: 430.058, 0.00394672/step, 2.6215 hours remaining, 110.382812 MB of memory in use. ENERGY: 108800 657.1106 1849.4002 1996.3758 115.7060 1.3359 -1045.8646 0.0000 0.0000 2685.7741 6259.8381 296.6512 3574.0640 6294.8966 297.6715 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: 430.848, 0.00394639/step Wall: 430.848, 0.00394639/step, 2.62106 hours remaining, 110.382812 MB of memory in use. ENERGY: 109000 678.5481 1906.2195 1996.7957 108.6442 1.1988 -1057.2022 0.0000 0.0000 2657.4345 6291.6386 293.5210 3634.2041 6322.0953 296.2843 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: 431.637, 0.00394852/step Wall: 431.637, 0.00394852/step, 2.62226 hours remaining, 110.382812 MB of memory in use. ENERGY: 109200 638.3121 1908.1431 2014.8629 106.5507 2.3103 -1053.5478 0.0000 0.0000 2697.8252 6314.4566 297.9823 3616.6314 6347.9146 298.5838 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: 432.426, 0.00394139/step Wall: 432.426, 0.00394138/step, 2.6173 hours remaining, 110.382812 MB of memory in use. ENERGY: 109400 661.0362 1849.7751 2011.1079 114.4403 1.6556 -1036.4496 0.0000 0.0000 2683.9926 6285.5580 296.4545 3601.5654 6321.7619 297.8805 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: 433.216, 0.00395001/step Wall: 433.216, 0.00395001/step, 2.62281 hours remaining, 110.382812 MB of memory in use. ENERGY: 109600 682.6252 1912.2858 2036.3142 115.9022 1.8978 -1082.1851 0.0000 0.0000 2660.0929 6326.9329 293.8147 3666.8400 6360.5612 300.0027 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: 434.006, 0.00395018/step Wall: 434.006, 0.00395017/step, 2.62269 hours remaining, 110.382812 MB of memory in use. ENERGY: 109800 668.2283 1855.3108 2017.9365 125.3871 2.2667 -1062.5962 0.0000 0.0000 2733.9511 6340.4842 301.9725 3606.5331 6376.4387 300.5943 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: 434.796, 0.0039492/step Wall: 434.796, 0.0039492/step, 2.62183 hours remaining, 110.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 110000 649.2223 1877.6081 2004.2916 99.8052 1.3639 -1049.8688 0.0000 0.0000 2737.7114 6320.1338 302.3878 3582.4224 6353.8467 302.1326 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 110000 WRITING COORDINATES TO DCD FILE MD.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: 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: 435.67, 0.00437049/step Wall: 435.67, 0.00437049/step, 2.90128 hours remaining, 110.445312 MB of memory in use. ENERGY: 110200 671.3959 1861.8908 2002.6476 96.5901 1.1162 -1064.8688 0.0000 0.0000 2742.6670 6311.4388 302.9352 3568.7718 6344.8654 300.7087 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: 436.458, 0.00394047/step Wall: 436.458, 0.00394047/step, 2.6156 hours remaining, 110.445312 MB of memory in use. ENERGY: 110400 678.3747 1840.3950 2005.6833 103.7605 1.9765 -1029.7635 0.0000 0.0000 2660.0474 6260.4738 293.8096 3600.4264 6296.3064 296.8659 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: 437.247, 0.00394845/step Wall: 437.247, 0.00394845/step, 2.62067 hours remaining, 110.445312 MB of memory in use. ENERGY: 110600 687.3868 1816.1624 2007.5580 105.0576 0.8836 -1034.2481 0.0000 0.0000 2673.2777 6256.0778 295.2710 3582.8002 6287.9894 295.5744 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: 438.038, 0.003954/step Wall: 438.038, 0.003954/step, 2.62414 hours remaining, 110.613281 MB of memory in use. ENERGY: 110800 654.1511 1821.5235 1997.9938 113.0505 2.4611 -1021.0916 0.0000 0.0000 2669.5979 6237.6864 294.8645 3568.0885 6271.1525 294.9857 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: 438.828, 0.00394645/step Wall: 438.828, 0.00394645/step, 2.61891 hours remaining, 110.613281 MB of memory in use. ENERGY: 111000 676.5712 1831.1779 1968.1007 98.3214 1.8981 -1043.7232 0.0000 0.0000 2716.4179 6248.7639 300.0359 3532.3460 6281.8986 296.8006 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: 439.617, 0.00394777/step Wall: 439.617, 0.00394777/step, 2.61957 hours remaining, 110.613281 MB of memory in use. ENERGY: 111200 674.1105 1890.1639 1973.9546 92.3432 1.5481 -1054.2691 0.0000 0.0000 2684.6934 6262.5446 296.5319 3577.8511 6294.2211 296.6531 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: 440.405, 0.00394157/step Wall: 440.405, 0.00394157/step, 2.61523 hours remaining, 110.617188 MB of memory in use. ENERGY: 111400 673.6797 1888.0438 1978.3001 100.1705 2.2637 -1003.8429 0.0000 0.0000 2622.8614 6261.4764 289.7023 3638.6150 6290.9949 297.7001 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: 441.195, 0.00394709/step Wall: 441.195, 0.00394709/step, 2.61867 hours remaining, 110.617188 MB of memory in use. ENERGY: 111600 674.2773 1898.2054 1969.2373 121.5186 1.3723 -1023.4271 0.0000 0.0000 2638.0881 6279.2719 291.3842 3641.1838 6312.2087 297.8047 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: 441.984, 0.00394591/step Wall: 441.984, 0.00394591/step, 2.61768 hours remaining, 110.617188 MB of memory in use. ENERGY: 111800 665.1627 1856.7912 1950.8997 118.9572 2.8634 -1042.2057 0.0000 0.0000 2701.4928 6253.9612 298.3874 3552.4685 6290.0018 298.2107 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: 442.773, 0.00394724/step Wall: 442.773, 0.00394724/step, 2.61834 hours remaining, 110.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 112000 623.0990 1898.6190 1963.1006 108.0104 1.4958 -1033.4763 0.0000 0.0000 2695.6955 6256.5441 297.7471 3560.8486 6290.5324 297.7720 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: 443.563, 0.00394827/step Wall: 443.563, 0.00394827/step, 2.6188 hours remaining, 110.617188 MB of memory in use. ENERGY: 112200 644.2947 1912.1493 1952.2557 121.9865 3.8578 -1058.0239 0.0000 0.0000 2713.0307 6289.5507 299.6618 3576.5199 6322.1288 298.7652 LDB: ============= START OF LOAD BALANCING ============== 446.521 LDB: ============== END OF LOAD BALANCING =============== 446.522 LDB: =============== DONE WITH MIGRATION ================ 446.522 LDB: ============= START OF LOAD BALANCING ============== 446.916 LDB: ============== END OF LOAD BALANCING =============== 446.916 LDB: =============== DONE WITH MIGRATION ================ 446.916 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: 444.352, 0.00394505/step Wall: 444.352, 0.00394505/step, 2.61644 hours remaining, 110.617188 MB of memory in use. ENERGY: 112400 622.0477 1851.4600 1985.0916 112.5970 2.7485 -1063.4227 0.0000 0.0000 2730.6265 6241.1485 301.6053 3510.5221 6276.5876 298.1387 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: 445.142, 0.00394789/step Wall: 445.142, 0.00394789/step, 2.61811 hours remaining, 110.617188 MB of memory in use. ENERGY: 112600 633.2577 1836.1469 1992.9515 105.3593 2.6049 -1058.1633 0.0000 0.0000 2719.2296 6231.3866 300.3465 3512.1570 6265.7712 296.3028 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: 445.931, 0.00394794/step Wall: 445.931, 0.00394793/step, 2.61792 hours remaining, 110.617188 MB of memory in use. ENERGY: 112800 648.4982 1845.3902 2014.1263 100.7964 1.4126 -1077.3068 0.0000 0.0000 2701.7065 6234.6234 298.4110 3532.9169 6266.8872 297.3837 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: 446.721, 0.00394836/step Wall: 446.721, 0.00394836/step, 2.61798 hours remaining, 110.617188 MB of memory in use. ENERGY: 113000 636.6467 1825.1400 2011.6635 102.1282 1.1259 -1057.1298 0.0000 0.0000 2706.5398 6226.1142 298.9449 3519.5744 6257.0643 296.2657 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: 447.509, 0.00394093/step Wall: 447.509, 0.00394093/step, 2.61284 hours remaining, 110.617188 MB of memory in use. ENERGY: 113200 657.8634 1875.3768 1976.0270 112.0883 2.7338 -1073.5893 0.0000 0.0000 2708.1471 6258.6470 299.1224 3550.4999 6290.9700 298.7266 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: 448.299, 0.0039475/step Wall: 448.299, 0.0039475/step, 2.61697 hours remaining, 110.617188 MB of memory in use. ENERGY: 113400 687.7255 1835.1597 2013.5816 100.3028 2.5993 -1060.9953 0.0000 0.0000 2664.3905 6242.7640 294.2893 3578.3736 6271.6628 297.2020 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: 449.088, 0.00394759/step Wall: 449.088, 0.00394759/step, 2.61681 hours remaining, 110.617188 MB of memory in use. ENERGY: 113600 675.0194 1824.2902 1980.2121 102.0934 1.5416 -1030.0226 0.0000 0.0000 2649.4238 6202.5578 292.6362 3553.1340 6234.8791 295.4852 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: 449.878, 0.00394752/step Wall: 449.878, 0.00394752/step, 2.61655 hours remaining, 110.617188 MB of memory in use. ENERGY: 113800 687.4479 1809.1591 1982.2464 104.5106 0.4947 -1042.7372 0.0000 0.0000 2691.1358 6232.2574 297.2434 3541.1216 6263.9785 295.5855 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: 450.668, 0.00395109/step Wall: 450.668, 0.00395109/step, 2.6187 hours remaining, 110.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 114000 611.8465 1835.8604 2001.8382 109.5263 2.8202 -1044.4381 0.0000 0.0000 2661.6631 6179.1166 293.9881 3517.4535 6210.9780 296.2663 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: 451.457, 0.00394381/step Wall: 451.457, 0.00394381/step, 2.61365 hours remaining, 110.726562 MB of memory in use. ENERGY: 114200 639.6887 1812.3700 1980.6939 105.3540 2.1564 -1027.0047 0.0000 0.0000 2640.3922 6153.6506 291.6387 3513.2584 6183.1735 293.2355 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: 452.246, 0.00394894/step Wall: 452.246, 0.00394893/step, 2.61682 hours remaining, 110.726562 MB of memory in use. ENERGY: 114400 625.6952 1811.2552 2004.6165 101.0861 1.2495 -1059.7611 0.0000 0.0000 2613.4766 6097.6180 288.6658 3484.1414 6130.1972 290.2700 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: 453.036, 0.00394768/step Wall: 453.036, 0.00394768/step, 2.61578 hours remaining, 110.726562 MB of memory in use. ENERGY: 114600 643.7179 1798.9677 2005.2727 114.4672 1.2573 -1108.8705 0.0000 0.0000 2665.6771 6120.4894 294.4315 3454.8123 6154.1334 291.5557 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: 453.825, 0.0039477/step Wall: 453.825, 0.00394771/step, 2.61557 hours remaining, 110.726562 MB of memory in use. ENERGY: 114800 678.7266 1855.8022 1996.1000 101.6062 1.0723 -1089.0262 0.0000 0.0000 2655.4621 6199.7432 293.3032 3544.2811 6235.5469 293.7451 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: 454.615, 0.00394773/step Wall: 454.615, 0.00394773/step, 2.61537 hours remaining, 110.726562 MB of memory in use. ENERGY: 115000 670.3541 1846.7568 2033.5997 114.8214 1.2466 -1100.0064 0.0000 0.0000 2661.3939 6228.1660 293.9584 3566.7722 6259.4732 296.7845 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: 455.404, 0.00394266/step Wall: 455.404, 0.00394266/step, 2.6118 hours remaining, 110.726562 MB of memory in use. ENERGY: 115200 649.7268 1808.1959 1998.9763 113.8615 1.6838 -1054.8201 0.0000 0.0000 2732.4434 6250.0678 301.8060 3517.6243 6282.5256 298.7372 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: 456.194, 0.00395069/step Wall: 456.194, 0.00395069/step, 2.6169 hours remaining, 110.726562 MB of memory in use. ENERGY: 115400 642.5578 1862.0978 2008.0902 113.3793 0.6673 -1050.4025 0.0000 0.0000 2674.3464 6250.7363 295.3890 3576.3899 6281.9245 299.6013 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: 456.984, 0.00394948/step Wall: 456.984, 0.00394948/step, 2.61587 hours remaining, 110.726562 MB of memory in use. ENERGY: 115600 642.9400 1865.6812 2017.1994 108.3387 1.6503 -1072.0008 0.0000 0.0000 2727.6169 6291.4257 301.2729 3563.8088 6324.1372 298.8948 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: 457.773, 0.00394845/step Wall: 457.773, 0.00394845/step, 2.61497 hours remaining, 110.726562 MB of memory in use. ENERGY: 115800 622.8681 1857.2775 1992.2932 108.2147 1.9487 -1039.6444 0.0000 0.0000 2760.9782 6303.9359 304.9577 3542.9577 6340.3369 301.1290 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: 458.564, 0.00395465/step Wall: 458.564, 0.00395465/step, 2.61886 hours remaining, 110.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 116000 679.2159 1862.8786 2023.4192 106.2277 1.1401 -1059.8150 0.0000 0.0000 2747.3089 6360.3755 303.4479 3613.0666 6395.6545 300.9605 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: 459.353, 0.00394308/step Wall: 459.353, 0.00394308/step, 2.61098 hours remaining, 110.730469 MB of memory in use. ENERGY: 116200 654.6270 1838.2850 2010.1242 117.0093 0.9212 -1055.5566 0.0000 0.0000 2730.9235 6296.3336 301.6381 3565.4101 6334.1011 302.2062 LDB: ============= START OF LOAD BALANCING ============== 462.313 LDB: ============== END OF LOAD BALANCING =============== 462.313 LDB: =============== DONE WITH MIGRATION ================ 462.313 LDB: ============= START OF LOAD BALANCING ============== 462.71 LDB: ============== END OF LOAD BALANCING =============== 462.71 LDB: =============== DONE WITH MIGRATION ================ 462.71 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: 460.146, 0.00396552/step Wall: 460.146, 0.00396552/step, 2.62562 hours remaining, 110.730469 MB of memory in use. ENERGY: 116400 613.8880 1823.9020 2019.0000 104.0565 2.3885 -1038.4723 0.0000 0.0000 2746.7037 6271.4664 303.3811 3524.7627 6308.2108 299.3898 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: 460.936, 0.00395052/step Wall: 460.936, 0.00395052/step, 2.61546 hours remaining, 110.730469 MB of memory in use. ENERGY: 116600 639.4456 1894.2619 2013.3754 99.9764 1.0556 -1063.0380 0.0000 0.0000 2692.0847 6277.1615 297.3483 3585.0769 6308.0769 297.7730 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: 461.726, 0.00395067/step Wall: 461.726, 0.00395067/step, 2.61534 hours remaining, 110.730469 MB of memory in use. ENERGY: 116800 687.7798 1839.9707 1986.5674 107.3982 1.7440 -1015.0773 0.0000 0.0000 2697.6246 6306.0074 297.9602 3608.3828 6338.1240 299.9757 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: 462.514, 0.0039415/step Wall: 462.514, 0.0039415/step, 2.60906 hours remaining, 110.730469 MB of memory in use. ENERGY: 117000 673.2042 1870.1759 1982.8624 108.4525 1.8929 -1066.7843 0.0000 0.0000 2690.9241 6260.7277 297.2201 3569.8036 6294.8570 298.2152 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: 463.304, 0.00394911/step Wall: 463.304, 0.00394911/step, 2.61387 hours remaining, 110.730469 MB of memory in use. ENERGY: 117200 692.3831 1802.1380 2006.1402 101.0153 0.6807 -1096.6196 0.0000 0.0000 2743.5247 6249.2625 303.0299 3505.7378 6283.4207 298.7387 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: 464.123, 0.00409161/step Wall: 464.123, 0.00409161/step, 2.70796 hours remaining, 110.730469 MB of memory in use. ENERGY: 117400 653.0602 1870.1026 2022.6114 108.1662 1.0424 -1069.5382 0.0000 0.0000 2714.7114 6300.1559 299.8474 3585.4445 6332.8782 298.0579 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: 464.911, 0.00394361/step Wall: 464.911, 0.00394361/step, 2.6098 hours remaining, 110.730469 MB of memory in use. ENERGY: 117600 649.1786 1873.0837 1980.7060 116.4955 1.0351 -1034.5676 0.0000 0.0000 2698.9713 6284.9026 298.1089 3585.9313 6317.4966 298.6234 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: 465.7, 0.00394307/step Wall: 465.7, 0.00394307/step, 2.60922 hours remaining, 110.734375 MB of memory in use. ENERGY: 117800 684.0996 1832.6555 1995.9617 114.0946 0.6084 -1076.0493 0.0000 0.0000 2700.1596 6251.5301 298.2401 3551.3705 6285.7635 298.6481 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: 466.488, 0.0039419/step Wall: 466.488, 0.0039419/step, 2.60822 hours remaining, 110.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 118000 643.9384 1891.9672 2031.6038 114.9290 0.6056 -1089.5586 0.0000 0.0000 2695.6077 6289.0930 297.7374 3593.4853 6322.4902 297.6342 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: 467.277, 0.00394181/step Wall: 467.277, 0.00394181/step, 2.60795 hours remaining, 110.734375 MB of memory in use. ENERGY: 118200 663.6541 1831.7766 1976.6249 103.4394 1.9829 -1058.0460 0.0000 0.0000 2712.7353 6232.1673 299.6292 3519.4320 6263.4324 299.1942 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: 468.065, 0.00394181/step Wall: 468.065, 0.00394181/step, 2.60773 hours remaining, 110.734375 MB of memory in use. ENERGY: 118400 653.9077 1820.6883 2006.8647 105.0455 1.6799 -1086.2109 0.0000 0.0000 2708.3233 6210.2986 299.1419 3501.9753 6246.0562 296.9094 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: 468.854, 0.00394231/step Wall: 468.854, 0.00394231/step, 2.60784 hours remaining, 110.734375 MB of memory in use. ENERGY: 118600 639.5633 1853.8660 1972.3040 103.4116 1.7341 -1038.1226 0.0000 0.0000 2611.9512 6144.7076 288.4973 3532.7564 6173.3060 294.4763 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: 469.642, 0.00394186/step Wall: 469.642, 0.00394186/step, 2.60732 hours remaining, 110.734375 MB of memory in use. ENERGY: 118800 669.4939 1851.0677 1966.7100 100.0851 1.2612 -1060.7632 0.0000 0.0000 2690.7631 6218.6176 297.2023 3527.8546 6252.0011 293.9257 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: 470.43, 0.00394287/step Wall: 470.43, 0.00394287/step, 2.60777 hours remaining, 110.734375 MB of memory in use. ENERGY: 119000 643.2880 1846.8133 1999.4561 107.5724 2.0484 -1057.0689 0.0000 0.0000 2721.6224 6263.7316 300.6108 3542.1092 6297.8359 297.4591 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: 471.219, 0.00394093/step Wall: 471.219, 0.00394093/step, 2.60627 hours remaining, 110.734375 MB of memory in use. ENERGY: 119200 655.7269 1837.4843 1992.8493 104.0103 1.9042 -1027.2041 0.0000 0.0000 2715.1522 6279.9230 299.8961 3564.7709 6313.6317 298.5683 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: 472.007, 0.00394014/step Wall: 472.007, 0.00394014/step, 2.60553 hours remaining, 110.734375 MB of memory in use. ENERGY: 119400 652.4109 1798.8237 2002.4954 108.3500 1.6173 -1019.7271 0.0000 0.0000 2715.0658 6259.0361 299.8866 3543.9703 6294.7670 297.9823 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: 472.795, 0.00394321/step Wall: 472.795, 0.00394321/step, 2.60734 hours remaining, 110.734375 MB of memory in use. ENERGY: 119600 641.4656 1893.1716 1969.2487 101.3705 2.1998 -1013.3073 0.0000 0.0000 2676.7564 6270.9053 295.6552 3594.1489 6302.0668 295.7398 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: 473.584, 0.00394497/step Wall: 473.584, 0.00394497/step, 2.60828 hours remaining, 110.734375 MB of memory in use. ENERGY: 119800 667.0860 1898.6393 1981.9792 110.2330 0.4912 -1051.7079 0.0000 0.0000 2656.9524 6263.6732 293.4678 3606.7208 6294.1178 297.1744 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: 474.373, 0.00394388/step Wall: 474.373, 0.00394388/step, 2.60734 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 120000 684.8128 1871.2929 2017.0010 104.1674 0.6888 -1042.5545 0.0000 0.0000 2705.3477 6340.7561 298.8132 3635.4084 6373.8186 299.2279 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 120000 WRITING COORDINATES TO DCD FILE MD.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: 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: 475.232, 0.00429645/step Wall: 475.232, 0.00429645/step, 2.84019 hours remaining, 110.871094 MB of memory in use. ENERGY: 120200 627.9628 1808.9829 2031.5724 98.6459 1.0960 -1010.8862 0.0000 0.0000 2697.6490 6255.0228 297.9628 3557.3739 6290.6168 299.2237 LDB: ============= START OF LOAD BALANCING ============== 478.193 LDB: ============== END OF LOAD BALANCING =============== 478.193 LDB: =============== DONE WITH MIGRATION ================ 478.193 LDB: ============= START OF LOAD BALANCING ============== 478.589 LDB: ============== END OF LOAD BALANCING =============== 478.59 LDB: =============== DONE WITH MIGRATION ================ 478.59 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: 476.025, 0.00396435/step Wall: 476.025, 0.00396435/step, 2.62043 hours remaining, 110.871094 MB of memory in use. ENERGY: 120400 641.4980 1840.7331 2015.8601 95.8079 2.0354 -1063.9974 0.0000 0.0000 2718.4200 6250.3570 300.2571 3531.9370 6283.8915 296.1055 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: 476.816, 0.00395179/step Wall: 476.816, 0.00395179/step, 2.61191 hours remaining, 110.871094 MB of memory in use. ENERGY: 120600 659.7912 1784.8862 2016.6493 108.5840 1.4119 -1034.7172 0.0000 0.0000 2686.0356 6222.6410 296.6801 3536.6054 6255.1056 297.4588 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: 477.606, 0.00394966/step Wall: 477.606, 0.00394966/step, 2.61029 hours remaining, 110.871094 MB of memory in use. ENERGY: 120800 638.9299 1843.9673 2008.3919 100.3053 0.5999 -1058.0039 0.0000 0.0000 2665.1945 6199.3848 294.3782 3534.1904 6228.8546 295.5162 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: 478.394, 0.00394131/step Wall: 478.394, 0.0039413/step, 2.60455 hours remaining, 110.871094 MB of memory in use. ENERGY: 121000 630.7692 1851.4139 2013.4380 112.9659 1.3521 -1024.0917 0.0000 0.0000 2649.5231 6235.3705 292.6472 3585.8474 6264.1892 296.1730 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: 479.183, 0.00394838/step Wall: 479.183, 0.00394839/step, 2.60901 hours remaining, 110.871094 MB of memory in use. ENERGY: 121200 614.9537 1838.7446 2019.7630 102.3454 1.8604 -1070.9919 0.0000 0.0000 2721.2009 6227.8761 300.5642 3506.6752 6258.9425 296.4443 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: 479.973, 0.00394647/step Wall: 479.973, 0.00394647/step, 2.60752 hours remaining, 110.871094 MB of memory in use. ENERGY: 121400 638.5988 1877.4990 2007.8668 101.4952 0.6558 -1042.2241 0.0000 0.0000 2636.2623 6220.1538 291.1825 3583.8915 6247.9160 295.9286 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: 480.763, 0.00394863/step Wall: 480.763, 0.00394863/step, 2.60873 hours remaining, 110.871094 MB of memory in use. ENERGY: 121600 643.3980 1845.0282 2020.4546 103.6534 1.0766 -1086.6602 0.0000 0.0000 2718.2680 6245.2186 300.2403 3526.9506 6276.4650 297.4688 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: 481.551, 0.00394249/step Wall: 481.551, 0.00394249/step, 2.60446 hours remaining, 110.871094 MB of memory in use. ENERGY: 121800 652.0000 1844.4777 2018.8162 110.0187 2.4918 -1086.8411 0.0000 0.0000 2718.0896 6259.0530 300.2206 3540.9634 6292.5295 298.0921 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: 482.341, 0.00394859/step Wall: 482.341, 0.00394858/step, 2.60826 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 122000 644.1775 1837.4968 2004.8619 110.3205 1.6371 -1054.3375 0.0000 0.0000 2766.0196 6310.1758 305.5146 3544.1563 6348.2563 301.5902 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: 483.131, 0.00395003/step Wall: 483.131, 0.00395004/step, 2.609 hours remaining, 110.871094 MB of memory in use. ENERGY: 122200 618.1580 1844.9491 2002.9749 101.5797 1.1119 -1059.1156 0.0000 0.0000 2754.1272 6263.7852 304.2010 3509.6581 6300.3541 300.1400 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: 483.92, 0.00394783/step Wall: 483.92, 0.00394783/step, 2.60733 hours remaining, 110.871094 MB of memory in use. ENERGY: 122400 673.7914 1867.9615 1992.1324 114.2615 1.0078 -1077.7343 0.0000 0.0000 2672.7364 6244.1568 295.2112 3571.4204 6278.6592 297.0000 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: 484.71, 0.0039488/step Wall: 484.71, 0.0039488/step, 2.60774 hours remaining, 110.871094 MB of memory in use. ENERGY: 122600 658.3233 1825.1337 1995.3765 91.8946 1.8743 -1080.4238 0.0000 0.0000 2712.6513 6204.8297 299.6199 3492.1784 6237.8394 298.8106 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: 485.498, 0.00394162/step Wall: 485.498, 0.00394162/step, 2.60278 hours remaining, 110.871094 MB of memory in use. ENERGY: 122800 635.3724 1820.0195 1984.0661 112.1138 2.7051 -1042.3616 0.0000 0.0000 2700.7730 6212.6885 298.3079 3511.9154 6243.8682 295.7992 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: 486.288, 0.00394646/step Wall: 486.288, 0.00394646/step, 2.60576 hours remaining, 110.871094 MB of memory in use. ENERGY: 123000 666.7846 1825.4624 1996.6362 102.7008 2.5181 -1047.5727 0.0000 0.0000 2631.0202 6177.5496 290.6035 3546.5294 6207.2246 294.3316 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: 487.077, 0.00394782/step Wall: 487.077, 0.00394782/step, 2.60644 hours remaining, 110.871094 MB of memory in use. ENERGY: 123200 644.7740 1793.4660 2006.1397 99.6434 0.1976 -1057.2235 0.0000 0.0000 2685.4262 6172.4234 296.6128 3486.9972 6202.4403 294.0053 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: 487.866, 0.00394582/step Wall: 487.866, 0.00394582/step, 2.6049 hours remaining, 110.871094 MB of memory in use. ENERGY: 123400 680.0112 1818.0232 1990.9667 111.7258 1.6565 -1081.1943 0.0000 0.0000 2665.1479 6186.3371 294.3730 3521.1892 6218.6569 295.8154 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: 488.656, 0.00394822/step Wall: 488.656, 0.00394822/step, 2.60626 hours remaining, 110.871094 MB of memory in use. ENERGY: 123600 682.4035 1857.4817 1960.7472 118.7457 0.5566 -1064.1554 0.0000 0.0000 2618.1349 6173.9141 289.1803 3555.7792 6204.8606 293.3894 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: 489.444, 0.003942/step Wall: 489.444, 0.003942/step, 2.60194 hours remaining, 110.871094 MB of memory in use. ENERGY: 123800 680.9819 1900.1874 1971.4150 105.6011 1.4329 -1087.9295 0.0000 0.0000 2651.2168 6222.9055 292.8343 3571.6887 6255.1813 296.9466 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: 490.234, 0.00394866/step Wall: 490.234, 0.00394866/step, 2.60612 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 124000 690.7777 1876.3573 1996.1589 115.6160 2.0582 -1058.5878 0.0000 0.0000 2683.1644 6305.5447 296.3630 3622.3803 6339.2302 297.3730 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: 491.024, 0.00394871/step Wall: 491.024, 0.00394871/step, 2.60593 hours remaining, 110.871094 MB of memory in use. ENERGY: 124200 674.4667 1875.7417 2004.6020 102.0727 0.7688 -1075.1545 0.0000 0.0000 2724.0203 6306.5177 300.8756 3582.4974 6340.5560 299.6653 LDB: ============= START OF LOAD BALANCING ============== 493.983 LDB: ============== END OF LOAD BALANCING =============== 493.983 LDB: =============== DONE WITH MIGRATION ================ 493.983 LDB: ============= START OF LOAD BALANCING ============== 494.379 LDB: ============== END OF LOAD BALANCING =============== 494.379 LDB: =============== DONE WITH MIGRATION ================ 494.379 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: 491.815, 0.00395349/step Wall: 491.815, 0.00395349/step, 2.60886 hours remaining, 110.871094 MB of memory in use. ENERGY: 124400 700.4414 1844.5375 2007.2229 116.6996 0.9718 -1077.8062 0.0000 0.0000 2737.6141 6329.6811 302.3771 3592.0670 6363.7716 301.4507 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: 492.604, 0.00394796/step Wall: 492.604, 0.00394796/step, 2.60499 hours remaining, 110.871094 MB of memory in use. ENERGY: 124600 669.4593 1836.7460 1995.4893 113.5811 0.2960 -1050.6786 0.0000 0.0000 2702.6885 6267.5817 298.5195 3564.8932 6301.2921 300.2149 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: 493.393, 0.00394358/step Wall: 493.393, 0.00394358/step, 2.60188 hours remaining, 110.871094 MB of memory in use. ENERGY: 124800 636.4109 1850.4189 1992.5456 111.7635 1.4599 -1058.1604 0.0000 0.0000 2794.2006 6328.6391 308.6272 3534.4385 6364.7601 301.4303 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: 494.183, 0.00394855/step Wall: 494.183, 0.00394855/step, 2.60495 hours remaining, 110.871094 MB of memory in use. ENERGY: 125000 641.5936 1878.3643 2000.0313 120.8008 1.0578 -1024.1159 0.0000 0.0000 2669.1177 6286.8495 294.8115 3617.7318 6318.0723 299.7998 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: 494.972, 0.00394827/step Wall: 494.972, 0.00394827/step, 2.60455 hours remaining, 110.871094 MB of memory in use. ENERGY: 125200 702.5387 1862.9115 1960.8758 117.2943 -0.3539 -1092.6420 0.0000 0.0000 2696.3722 6246.9967 297.8218 3550.6244 6282.9077 297.9682 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: 495.762, 0.0039493/step Wall: 495.762, 0.0039493/step, 2.60501 hours remaining, 110.871094 MB of memory in use. ENERGY: 125400 665.0945 1861.7322 1993.7639 117.5014 0.0089 -1089.9694 0.0000 0.0000 2718.3171 6266.4487 300.2457 3548.1316 6300.0190 298.3012 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: 496.551, 0.00394185/step Wall: 496.551, 0.00394185/step, 2.59987 hours remaining, 110.871094 MB of memory in use. ENERGY: 125600 672.3617 1861.8543 2019.1931 107.4457 0.4301 -1047.1770 0.0000 0.0000 2659.6359 6273.7438 293.7642 3614.1079 6306.8015 299.9342 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: 497.34, 0.00394823/step Wall: 497.34, 0.00394823/step, 2.60386 hours remaining, 110.871094 MB of memory in use. ENERGY: 125800 657.5652 1821.0398 1988.2028 106.7558 -1.2266 -1067.2196 0.0000 0.0000 2766.5426 6271.6599 305.5723 3505.1173 6308.1491 300.5768 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: 498.13, 0.00394719/step Wall: 498.13, 0.00394719/step, 2.60295 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 126000 655.4330 1874.6994 1997.6844 103.1387 0.9832 -1083.0050 0.0000 0.0000 2739.0445 6287.9782 302.5351 3548.9337 6323.3909 301.2155 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: 498.921, 0.00395603/step Wall: 498.921, 0.00395603/step, 2.60856 hours remaining, 110.871094 MB of memory in use. ENERGY: 126200 659.2459 1838.6102 2009.6126 102.2781 1.1339 -1069.7734 0.0000 0.0000 2732.9352 6274.0425 301.8603 3541.1074 6307.0478 300.4882 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: 499.71, 0.00394713/step Wall: 499.71, 0.00394713/step, 2.60247 hours remaining, 110.871094 MB of memory in use. ENERGY: 126400 659.4344 1823.7746 1993.2133 112.0372 1.2759 -1053.9697 0.0000 0.0000 2649.6675 6185.4333 292.6632 3535.7658 6218.2106 297.4102 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: 500.498, 0.00394076/step Wall: 500.498, 0.00394076/step, 2.59806 hours remaining, 110.871094 MB of memory in use. ENERGY: 126600 643.1323 1818.5823 2008.7041 121.5509 1.8835 -1077.6032 0.0000 0.0000 2675.0920 6191.3419 295.4714 3516.2499 6224.0630 294.1490 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: 501.287, 0.0039444/step Wall: 501.287, 0.0039444/step, 2.60024 hours remaining, 110.871094 MB of memory in use. ENERGY: 126800 710.1915 1826.0143 2007.2457 121.2070 2.2764 -1070.1616 0.0000 0.0000 2660.9554 6257.7286 293.9099 3596.7732 6290.4344 298.0519 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: 502.077, 0.00394647/step Wall: 502.077, 0.00394647/step, 2.60138 hours remaining, 110.871094 MB of memory in use. ENERGY: 127000 609.1520 1862.8599 1987.4331 100.9884 1.8427 -1061.9245 0.0000 0.0000 2771.2780 6271.6296 306.0954 3500.3517 6305.2501 299.0320 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: 502.866, 0.0039451/step Wall: 502.866, 0.0039451/step, 2.60026 hours remaining, 110.871094 MB of memory in use. ENERGY: 127200 643.6781 1871.8795 2000.8716 112.5122 1.8271 -1058.4702 0.0000 0.0000 2710.4311 6282.7294 299.3747 3572.2984 6308.7851 300.9788 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: 503.655, 0.00394632/step Wall: 503.655, 0.00394632/step, 2.60085 hours remaining, 110.871094 MB of memory in use. ENERGY: 127400 657.5814 1883.0698 1997.2460 121.6012 2.4446 -1086.1933 0.0000 0.0000 2674.9274 6250.6773 295.4532 3575.7499 6283.0942 300.3837 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: 504.443, 0.00394057/step Wall: 504.443, 0.00394057/step, 2.59683 hours remaining, 110.871094 MB of memory in use. ENERGY: 127600 670.2014 1865.7670 1989.3707 103.4504 3.1762 -1099.7364 0.0000 0.0000 2728.4547 6260.6840 301.3654 3532.2294 6295.1418 299.2025 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: 505.232, 0.00394566/step Wall: 505.232, 0.00394566/step, 2.59997 hours remaining, 110.871094 MB of memory in use. ENERGY: 127800 662.3109 1870.1736 1990.0968 109.5630 2.0589 -1079.5775 0.0000 0.0000 2694.9211 6249.5469 297.6615 3554.6257 6284.2626 299.1496 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: 506.021, 0.00394572/step Wall: 506.021, 0.00394572/step, 2.59979 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 128000 622.1966 1817.7437 2009.9067 122.4188 3.2491 -1080.2370 0.0000 0.0000 2766.2662 6261.5441 305.5418 3495.2779 6296.9343 297.9456 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: 506.81, 0.00394449/step Wall: 506.81, 0.00394449/step, 2.59876 hours remaining, 110.871094 MB of memory in use. ENERGY: 128200 675.4079 1827.5977 2001.1627 111.8908 1.2672 -1085.0849 0.0000 0.0000 2706.5225 6238.7639 298.9430 3532.2414 6271.7077 298.7956 LDB: ============= START OF LOAD BALANCING ============== 509.769 LDB: ============== END OF LOAD BALANCING =============== 509.769 LDB: =============== DONE WITH MIGRATION ================ 509.769 LDB: ============= START OF LOAD BALANCING ============== 510.163 LDB: ============== END OF LOAD BALANCING =============== 510.163 LDB: =============== DONE WITH MIGRATION ================ 510.164 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: 507.599, 0.00394527/step Wall: 507.599, 0.00394527/step, 2.59906 hours remaining, 110.871094 MB of memory in use. ENERGY: 128400 679.4078 1804.1851 2020.0472 107.8899 2.6557 -1092.8997 0.0000 0.0000 2708.2923 6229.5784 299.1384 3521.2861 6263.6020 297.7376 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: 508.388, 0.00394536/step Wall: 508.388, 0.00394536/step, 2.5989 hours remaining, 110.871094 MB of memory in use. ENERGY: 128600 669.2017 1849.1224 2005.9915 106.7541 2.1746 -1073.0643 0.0000 0.0000 2672.2519 6232.4318 295.1577 3560.1800 6262.8819 296.9772 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: 509.178, 0.00394686/step Wall: 509.178, 0.00394686/step, 2.59967 hours remaining, 110.871094 MB of memory in use. ENERGY: 128800 695.1927 1829.2485 1995.5816 119.1934 2.5299 -1066.0878 0.0000 0.0000 2719.4968 6295.1553 300.3760 3575.6585 6325.5989 300.8271 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: 509.967, 0.00394546/step Wall: 509.967, 0.00394546/step, 2.59852 hours remaining, 110.871094 MB of memory in use. ENERGY: 129000 680.7622 1840.9134 1976.1740 97.4259 2.5925 -1064.5358 0.0000 0.0000 2684.1891 6217.5213 296.4762 3533.3322 6248.9168 298.4393 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: 510.756, 0.00394608/step Wall: 510.756, 0.00394608/step, 2.59871 hours remaining, 110.871094 MB of memory in use. ENERGY: 129200 648.4863 1859.2474 2012.5466 106.7133 2.4093 -1122.3265 0.0000 0.0000 2691.8051 6198.8815 297.3174 3507.0764 6230.5520 297.7142 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: 511.544, 0.00394042/step Wall: 511.544, 0.00394042/step, 2.59477 hours remaining, 110.871094 MB of memory in use. ENERGY: 129400 634.3246 1921.7213 2002.9464 102.4541 2.2201 -1106.0035 0.0000 0.0000 2636.2758 6193.9389 291.1840 3557.6631 6225.8666 296.7197 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: 512.333, 0.00394473/step Wall: 512.333, 0.00394473/step, 2.59739 hours remaining, 110.871094 MB of memory in use. ENERGY: 129600 637.6180 1793.7339 1991.7040 111.8731 2.4214 -1060.2877 0.0000 0.0000 2637.0972 6114.1600 291.2747 3477.0628 6146.2629 294.1994 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: 513.122, 0.00394546/step Wall: 513.122, 0.00394546/step, 2.59764 hours remaining, 110.871094 MB of memory in use. ENERGY: 129800 683.0740 1803.0941 2001.2156 112.6126 1.3935 -1098.4032 0.0000 0.0000 2614.0245 6117.0111 288.7263 3502.9866 6149.1241 293.0414 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: 513.911, 0.00394511/step Wall: 513.911, 0.00394511/step, 2.59719 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 130000 664.0502 1817.0091 1987.0383 103.8573 2.4695 -1092.8058 0.0000 0.0000 2646.8855 6128.5041 292.3559 3481.6187 6161.6125 294.0198 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 130000 WRITING COORDINATES TO DCD FILE MD.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: 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: 514.739, 0.00414067/step Wall: 514.739, 0.00414067/step, 2.72571 hours remaining, 110.871094 MB of memory in use. ENERGY: 130200 658.8988 1834.8762 1981.3885 105.2404 3.0889 -1089.5057 0.0000 0.0000 2651.0877 6145.0748 292.8200 3493.9871 6177.3573 294.5994 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: 515.527, 0.00394044/step Wall: 515.527, 0.00394044/step, 2.59369 hours remaining, 110.871094 MB of memory in use. ENERGY: 130400 648.2706 1833.8843 2008.1587 101.3580 2.3981 -1102.8763 0.0000 0.0000 2644.4535 6135.6467 292.0873 3491.1933 6168.8908 293.7920 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: 516.316, 0.00394387/step Wall: 516.316, 0.00394387/step, 2.59573 hours remaining, 110.871094 MB of memory in use. ENERGY: 130600 661.3752 1810.9015 2003.6749 95.3819 1.5795 -1070.9906 0.0000 0.0000 2668.2511 6170.1735 294.7158 3501.9224 6200.4781 292.6266 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: 517.105, 0.0039468/step Wall: 517.105, 0.0039468/step, 2.59743 hours remaining, 110.871094 MB of memory in use. ENERGY: 130800 642.7163 1885.6595 1992.0367 110.3055 3.4882 -1118.9377 0.0000 0.0000 2651.4994 6166.7679 292.8655 3515.2685 6199.2417 295.2130 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: 517.895, 0.00394616/step Wall: 517.895, 0.00394616/step, 2.5968 hours remaining, 110.871094 MB of memory in use. ENERGY: 131000 687.9187 1853.0886 1999.6680 106.3814 2.6406 -1096.5456 0.0000 0.0000 2642.5982 6195.7500 291.8823 3553.1517 6227.7439 295.4391 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: 518.684, 0.0039459/step Wall: 518.684, 0.0039459/step, 2.59641 hours remaining, 110.871094 MB of memory in use. ENERGY: 131200 665.7166 1896.9899 1996.1758 112.6385 1.4626 -1107.4907 0.0000 0.0000 2650.4279 6215.9206 292.7471 3565.4927 6247.1104 296.8688 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: 519.472, 0.00394035/step Wall: 519.472, 0.00394035/step, 2.59253 hours remaining, 110.871094 MB of memory in use. ENERGY: 131400 653.8831 1875.6469 1969.6903 99.0332 1.3917 -1087.5746 0.0000 0.0000 2699.5052 6211.5759 298.1679 3512.0707 6243.7142 297.2912 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: 520.263, 0.00395398/step Wall: 520.263, 0.00395398/step, 2.60128 hours remaining, 110.871094 MB of memory in use. ENERGY: 131600 644.8492 1872.7411 1982.7328 94.0123 0.3900 -1076.3402 0.0000 0.0000 2690.0467 6208.4319 297.1232 3518.3852 6241.4111 298.6593 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: 521.053, 0.00395141/step Wall: 521.053, 0.00395141/step, 2.59937 hours remaining, 110.871094 MB of memory in use. ENERGY: 131800 685.9384 1841.8147 1940.7680 110.0928 2.3643 -1066.5543 0.0000 0.0000 2711.5727 6225.9966 299.5008 3514.4239 6261.1053 297.0063 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: 521.843, 0.00394911/step Wall: 521.843, 0.00394911/step, 2.59764 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 132000 668.0193 1875.8198 1974.7180 109.0587 2.5094 -1092.4043 0.0000 0.0000 2621.1402 6158.8610 289.5122 3537.7208 6187.3484 296.7355 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: 522.631, 0.00394169/step Wall: 522.631, 0.00394169/step, 2.59254 hours remaining, 110.871094 MB of memory in use. ENERGY: 132200 680.5151 1858.9089 2009.8397 98.6666 0.9037 -1104.0782 0.0000 0.0000 2647.9920 6192.7477 292.4781 3544.7557 6226.3847 296.1114 LDB: ============= START OF LOAD BALANCING ============== 525.591 LDB: ============== END OF LOAD BALANCING =============== 525.591 LDB: =============== DONE WITH MIGRATION ================ 525.591 LDB: ============= START OF LOAD BALANCING ============== 525.986 LDB: ============== END OF LOAD BALANCING =============== 525.986 LDB: =============== DONE WITH MIGRATION ================ 525.986 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: 523.421, 0.00395102/step Wall: 523.421, 0.00395102/step, 2.59845 hours remaining, 110.871094 MB of memory in use. ENERGY: 132400 634.0063 1813.2530 2014.6861 97.5629 1.4281 -1034.4942 0.0000 0.0000 2754.9504 6281.3925 304.2919 3526.4420 6314.0581 298.7325 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: 524.211, 0.00394651/step Wall: 524.211, 0.00394651/step, 2.59527 hours remaining, 110.871094 MB of memory in use. ENERGY: 132600 653.8400 1826.3049 1992.7445 103.9566 0.7561 -1044.0226 0.0000 0.0000 2721.8840 6255.4634 300.6397 3533.5794 6289.4766 300.6567 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: 525, 0.00394562/step Wall: 525, 0.00394562/step, 2.59446 hours remaining, 110.871094 MB of memory in use. ENERGY: 132800 663.1297 1883.9442 1977.0339 116.0125 -0.0377 -1048.0696 0.0000 0.0000 2745.1884 6337.2015 303.2137 3592.0131 6368.0351 301.6469 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: 525.789, 0.00394555/step Wall: 525.789, 0.00394555/step, 2.5942 hours remaining, 110.871094 MB of memory in use. ENERGY: 133000 653.6079 1896.7776 2011.4476 96.2740 1.3184 -1079.8032 0.0000 0.0000 2715.5808 6295.2032 299.9435 3579.6224 6325.4127 299.9775 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: 526.577, 0.00394078/step Wall: 526.577, 0.00394078/step, 2.59084 hours remaining, 110.871094 MB of memory in use. ENERGY: 133200 720.4987 1879.5532 1978.2612 120.5036 0.9133 -1069.1034 0.0000 0.0000 2723.2574 6353.8841 300.7914 3630.6266 6383.5782 301.6613 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: 527.367, 0.00394876/step Wall: 527.367, 0.00394876/step, 2.59587 hours remaining, 110.871094 MB of memory in use. ENERGY: 133400 657.3395 1916.9722 1989.3386 98.2252 1.6577 -1067.2453 0.0000 0.0000 2752.2183 6348.5063 303.9902 3596.2880 6380.3432 302.6958 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: 528.157, 0.00394904/step Wall: 528.157, 0.00394904/step, 2.59584 hours remaining, 110.871094 MB of memory in use. ENERGY: 133600 641.7382 1865.6633 2000.7153 104.9517 1.3809 -1058.3177 0.0000 0.0000 2745.1843 6301.3161 303.2133 3556.1317 6336.2232 301.5300 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: 528.946, 0.00394794/step Wall: 528.946, 0.00394794/step, 2.59489 hours remaining, 110.871094 MB of memory in use. ENERGY: 133800 663.1183 1848.1764 1985.6208 111.1866 0.7547 -1071.6560 0.0000 0.0000 2719.4633 6256.6641 300.3723 3537.2008 6290.5850 300.6125 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: 529.736, 0.00394845/step Wall: 529.736, 0.00394845/step, 2.59501 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 134000 633.1238 1827.7472 1968.1339 103.5037 2.0831 -1057.0372 0.0000 0.0000 2771.6163 6249.1708 306.1327 3477.5545 6287.5312 299.3487 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: 530.524, 0.00393964/step Wall: 530.524, 0.00393964/step, 2.589 hours remaining, 110.871094 MB of memory in use. ENERGY: 134200 637.5826 1829.9959 2003.8267 117.3209 1.7126 -1058.3198 0.0000 0.0000 2717.6088 6249.7277 300.1675 3532.1189 6282.2024 299.0200 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: 531.313, 0.00394644/step Wall: 531.313, 0.00394644/step, 2.59325 hours remaining, 110.871094 MB of memory in use. ENERGY: 134400 633.2538 1853.7972 1987.4926 118.6174 1.4741 -1049.7014 0.0000 0.0000 2677.7768 6222.7105 295.7679 3544.9337 6253.7740 298.0822 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: 532.102, 0.00394567/step Wall: 532.102, 0.00394567/step, 2.59252 hours remaining, 110.871094 MB of memory in use. ENERGY: 134600 652.2470 1831.0969 1999.9800 111.3853 0.5740 -1072.6706 0.0000 0.0000 2677.5394 6200.1521 295.7417 3522.6127 6232.9805 296.9981 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: 532.892, 0.00394622/step Wall: 532.892, 0.00394622/step, 2.59267 hours remaining, 110.871094 MB of memory in use. ENERGY: 134800 707.8232 1783.8850 1966.0183 108.9257 0.0875 -1056.6810 0.0000 0.0000 2683.8881 6193.9467 296.4429 3510.0586 6227.9680 296.4610 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: 533.68, 0.00394355/step Wall: 533.68, 0.00394355/step, 2.59069 hours remaining, 110.871094 MB of memory in use. ENERGY: 135000 669.6525 1833.3868 2009.3367 107.4164 0.3161 -1078.9712 0.0000 0.0000 2696.3661 6237.5035 297.8211 3541.1374 6268.6139 296.8753 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: 534.469, 0.00394408/step Wall: 534.469, 0.00394408/step, 2.59083 hours remaining, 110.871094 MB of memory in use. ENERGY: 135200 669.8812 1870.5327 1989.1940 111.7097 0.2509 -1069.8455 0.0000 0.0000 2691.3982 6263.1212 297.2724 3571.7230 6291.7959 296.8090 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: 535.258, 0.00394567/step Wall: 535.258, 0.00394567/step, 2.59165 hours remaining, 110.871094 MB of memory in use. ENERGY: 135400 658.8565 1857.0189 2001.1877 104.1974 0.5069 -1072.8602 0.0000 0.0000 2742.7639 6291.6711 302.9459 3548.9072 6325.0539 298.9733 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: 536.048, 0.00394746/step Wall: 536.048, 0.00394746/step, 2.5926 hours remaining, 110.871094 MB of memory in use. ENERGY: 135600 651.2349 1871.5242 1976.5133 116.6628 0.7241 -1059.1865 0.0000 0.0000 2691.7844 6249.2570 297.3151 3557.4726 6282.2245 299.7496 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: 536.837, 0.00394633/step Wall: 536.837, 0.00394633/step, 2.59164 hours remaining, 110.871094 MB of memory in use. ENERGY: 135800 660.8249 1872.1769 1973.4280 119.6395 2.3093 -1055.5603 0.0000 0.0000 2726.8998 6299.7182 301.1937 3572.8183 6333.2391 298.2885 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: 537.625, 0.00394043/step Wall: 537.625, 0.00394043/step, 2.58755 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 136000 662.5654 1818.1944 1995.1655 117.6329 0.4764 -1019.9246 0.0000 0.0000 2760.3439 6334.4539 304.8877 3574.1099 6368.9268 300.8937 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: 538.414, 0.00394665/step Wall: 538.414, 0.00394665/step, 2.59141 hours remaining, 110.871094 MB of memory in use. ENERGY: 136200 657.0184 1888.5515 1995.8644 112.3047 1.0751 -1077.3162 0.0000 0.0000 2715.3724 6292.8703 299.9204 3577.4979 6326.2461 300.9664 LDB: ============= START OF LOAD BALANCING ============== 541.377 LDB: ============== END OF LOAD BALANCING =============== 541.377 LDB: =============== DONE WITH MIGRATION ================ 541.377 LDB: ============= START OF LOAD BALANCING ============== 541.772 LDB: ============== END OF LOAD BALANCING =============== 541.772 LDB: =============== DONE WITH MIGRATION ================ 541.772 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: 539.207, 0.00396484/step Wall: 539.207, 0.00396484/step, 2.60314 hours remaining, 110.871094 MB of memory in use. ENERGY: 136400 667.3103 1834.7769 1977.2396 103.6212 1.2108 -1043.3364 0.0000 0.0000 2674.2253 6215.0478 295.3756 3540.8226 6244.6952 298.0350 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: 539.997, 0.00394683/step Wall: 539.997, 0.00394683/step, 2.59109 hours remaining, 110.871094 MB of memory in use. ENERGY: 136600 674.3034 1836.9240 1988.4020 114.1725 2.6056 -1080.4626 0.0000 0.0000 2698.8354 6234.7803 298.0939 3535.9449 6266.3455 297.4266 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: 540.786, 0.00394582/step Wall: 540.786, 0.00394582/step, 2.59021 hours remaining, 110.871094 MB of memory in use. ENERGY: 136800 653.8049 1822.5901 2020.5070 110.0764 1.0521 -1105.9047 0.0000 0.0000 2695.6212 6197.7469 297.7389 3502.1258 6232.1924 296.5148 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: 541.574, 0.00394177/step Wall: 541.574, 0.00394177/step, 2.58733 hours remaining, 110.871094 MB of memory in use. ENERGY: 137000 655.1878 1831.0850 2028.8292 120.1332 1.8546 -1076.3907 0.0000 0.0000 2665.6449 6226.3441 294.4279 3560.6992 6259.4154 298.3821 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: 542.364, 0.00394729/step Wall: 542.364, 0.00394729/step, 2.59074 hours remaining, 110.871094 MB of memory in use. ENERGY: 137200 650.2405 1782.3773 2030.3935 111.4732 1.1614 -1075.9634 0.0000 0.0000 2759.3099 6258.9923 304.7735 3499.6824 6296.9207 298.1266 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: 543.153, 0.00394596/step Wall: 543.153, 0.00394596/step, 2.58964 hours remaining, 110.871094 MB of memory in use. ENERGY: 137400 671.9707 1830.0291 2011.4558 103.6275 1.5440 -1085.5095 0.0000 0.0000 2672.9610 6206.0786 295.2360 3533.1176 6238.2006 297.1623 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: 543.942, 0.00394464/step Wall: 543.942, 0.00394464/step, 2.58856 hours remaining, 110.871094 MB of memory in use. ENERGY: 137600 661.6530 1826.8354 2011.0549 102.8784 1.8163 -1073.3295 0.0000 0.0000 2642.4389 6173.3474 291.8647 3530.9084 6202.1655 293.7504 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: 544.731, 0.00394572/step Wall: 544.731, 0.00394572/step, 2.58905 hours remaining, 110.871094 MB of memory in use. ENERGY: 137800 635.1457 1793.5560 2025.3884 114.5412 2.2218 -1072.6493 0.0000 0.0000 2624.5357 6122.7395 289.8873 3498.2038 6152.8570 292.6699 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: 545.519, 0.00394171/step Wall: 545.519, 0.00394171/step, 2.5862 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 138000 652.7964 1788.5663 1994.2766 97.6606 1.0988 -1049.9339 0.0000 0.0000 2727.3533 6211.8182 301.2438 3484.4649 6245.3701 292.6663 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: 546.309, 0.00394677/step Wall: 546.309, 0.00394677/step, 2.5893 hours remaining, 110.871094 MB of memory in use. ENERGY: 138200 643.8417 1822.1614 2013.8443 103.7424 0.3901 -1055.5069 0.0000 0.0000 2703.2368 6231.7098 298.5800 3528.4730 6265.7309 298.1814 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: 547.098, 0.0039464/step Wall: 547.098, 0.0039464/step, 2.58884 hours remaining, 110.871094 MB of memory in use. ENERGY: 138400 628.5802 1862.6488 2014.7423 116.6539 1.2969 -1060.0704 0.0000 0.0000 2641.8763 6205.7282 291.8026 3563.8518 6233.9903 296.7718 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: 547.887, 0.0039462/step Wall: 547.887, 0.00394619/step, 2.58848 hours remaining, 110.871094 MB of memory in use. ENERGY: 138600 633.0667 1881.9548 1995.2876 105.7657 1.1958 -1055.4994 0.0000 0.0000 2674.4758 6236.2471 295.4033 3561.7713 6266.3267 295.3446 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: 548.675, 0.00394118/step Wall: 548.675, 0.00394118/step, 2.58498 hours remaining, 110.871094 MB of memory in use. ENERGY: 138800 688.2025 1811.1389 2014.5261 108.0179 1.0271 -1029.2959 0.0000 0.0000 2663.4589 6257.0756 294.1865 3593.6167 6290.0362 298.0938 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: 549.465, 0.00394709/step Wall: 549.465, 0.00394709/step, 2.58863 hours remaining, 110.871094 MB of memory in use. ENERGY: 139000 655.7352 1855.6545 1990.9111 109.3170 1.6435 -1035.3168 0.0000 0.0000 2711.1521 6289.0966 299.4543 3577.9445 6323.4019 300.7268 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: 550.254, 0.00394729/step Wall: 550.254, 0.00394729/step, 2.58855 hours remaining, 110.871094 MB of memory in use. ENERGY: 139200 678.2362 1811.9300 1981.7188 99.1030 2.7539 -1056.2903 0.0000 0.0000 2736.5789 6254.0305 302.2628 3517.4517 6285.2811 300.5917 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: 551.044, 0.00394772/step Wall: 551.044, 0.00394772/step, 2.58861 hours remaining, 110.871094 MB of memory in use. ENERGY: 139400 674.3452 1827.9356 2021.3104 112.5896 2.3950 -1036.9224 0.0000 0.0000 2695.3139 6296.9672 297.7049 3601.6533 6326.9247 299.3029 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: 551.833, 0.00394706/step Wall: 551.833, 0.00394706/step, 2.58795 hours remaining, 110.871094 MB of memory in use. ENERGY: 139600 664.2109 1832.6235 2023.6302 110.7925 2.0187 -1086.2054 0.0000 0.0000 2741.3045 6288.3749 302.7847 3547.0704 6320.9867 300.7534 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: 552.622, 0.00394264/step Wall: 552.622, 0.00394264/step, 2.58484 hours remaining, 110.871094 MB of memory in use. ENERGY: 139800 657.3459 1825.9271 1999.1160 120.5850 -0.0033 -1054.7495 0.0000 0.0000 2730.9802 6279.2014 301.6444 3548.2212 6313.0187 300.3981 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: 553.411, 0.00394845/step Wall: 553.411, 0.00394845/step, 2.58843 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 140000 657.9425 1884.3203 2010.4146 108.6963 0.0508 -1057.2503 0.0000 0.0000 2686.5646 6290.7387 296.7385 3604.1741 6321.3684 301.5304 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 140000 WRITING COORDINATES TO DCD FILE MD.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: 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: 554.232, 0.00410168/step Wall: 554.232, 0.00410168/step, 2.68865 hours remaining, 110.871094 MB of memory in use. ENERGY: 140200 666.1875 1810.7615 2000.1757 121.4063 -0.3553 -1064.9496 0.0000 0.0000 2746.1051 6279.3311 303.3150 3533.2260 6313.1692 300.2539 LDB: ============= START OF LOAD BALANCING ============== 557.19 LDB: ============== END OF LOAD BALANCING =============== 557.19 LDB: =============== DONE WITH MIGRATION ================ 557.19 LDB: ============= START OF LOAD BALANCING ============== 557.586 LDB: ============== END OF LOAD BALANCING =============== 557.586 LDB: =============== DONE WITH MIGRATION ================ 557.587 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: 555.022, 0.00395245/step Wall: 555.022, 0.00395245/step, 2.59061 hours remaining, 110.871094 MB of memory in use. ENERGY: 140400 680.6718 1817.4901 2017.3668 125.5339 1.3338 -1084.2774 0.0000 0.0000 2658.2528 6216.3717 293.6114 3558.1189 6249.2629 298.2691 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: 555.812, 0.00394777/step Wall: 555.812, 0.00394777/step, 2.58732 hours remaining, 110.871094 MB of memory in use. ENERGY: 140600 682.1444 1855.5172 2025.2514 111.2576 1.7761 -1076.5825 0.0000 0.0000 2636.9485 6236.3126 291.2583 3599.3641 6268.6224 297.8783 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: 556.6, 0.00394246/step Wall: 556.6, 0.00394246/step, 2.58362 hours remaining, 110.871094 MB of memory in use. ENERGY: 140800 651.4248 1847.2049 1990.0003 95.2234 2.6341 -1078.9356 0.0000 0.0000 2699.6573 6207.2091 298.1847 3507.5518 6238.6647 297.5035 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: 557.39, 0.00394848/step Wall: 557.39, 0.00394848/step, 2.58735 hours remaining, 110.871094 MB of memory in use. ENERGY: 141000 631.4010 1796.0692 1988.2501 100.8121 1.4166 -1013.3912 0.0000 0.0000 2680.6125 6185.1702 296.0811 3504.5577 6216.3549 295.6640 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: 558.18, 0.00394846/step Wall: 558.18, 0.00394846/step, 2.58712 hours remaining, 110.871094 MB of memory in use. ENERGY: 141200 621.0204 1872.5380 1986.2761 119.0944 2.1187 -1066.8902 0.0000 0.0000 2680.4546 6214.6121 296.0637 3534.1575 6246.5367 294.5756 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: 558.969, 0.00394725/step Wall: 558.969, 0.00394725/step, 2.58611 hours remaining, 110.871094 MB of memory in use. ENERGY: 141400 632.3413 1833.8338 2027.5288 115.9536 0.8398 -1050.7982 0.0000 0.0000 2653.4129 6213.1119 293.0768 3559.6991 6245.3601 296.8459 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: 559.759, 0.00394859/step Wall: 559.759, 0.00394859/step, 2.58677 hours remaining, 110.871094 MB of memory in use. ENERGY: 141600 633.7090 1854.8807 2012.1848 117.6410 2.2626 -1075.0105 0.0000 0.0000 2723.9256 6269.5934 300.8652 3545.6678 6304.0366 299.5299 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: 560.548, 0.00394425/step Wall: 560.548, 0.00394425/step, 2.5837 hours remaining, 110.871094 MB of memory in use. ENERGY: 141800 649.3674 1789.9260 1999.7591 108.6456 1.9779 -1073.7060 0.0000 0.0000 2772.1960 6248.1660 306.1968 3475.9700 6285.0042 299.8993 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: 561.338, 0.00395/step Wall: 561.338, 0.00395/step, 2.58725 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 142000 631.7153 1818.9553 1981.9882 115.7503 1.0182 -1077.1275 0.0000 0.0000 2691.5575 6163.8574 297.2900 3472.2999 6196.8457 298.3896 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: 562.127, 0.00394683/step Wall: 562.127, 0.00394683/step, 2.58495 hours remaining, 110.871094 MB of memory in use. ENERGY: 142200 610.8488 1861.4757 1993.4624 105.8690 -0.1727 -1070.5100 0.0000 0.0000 2687.8006 6188.7737 296.8751 3500.9731 6220.3329 294.3228 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: 562.917, 0.00394773/step Wall: 562.917, 0.00394773/step, 2.58533 hours remaining, 110.871094 MB of memory in use. ENERGY: 142400 681.3040 1818.8410 1978.6802 93.9981 0.6703 -1057.7131 0.0000 0.0000 2711.7878 6227.5683 299.5245 3515.7805 6260.4877 296.3194 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: 563.705, 0.00394407/step Wall: 563.705, 0.00394407/step, 2.58271 hours remaining, 110.871094 MB of memory in use. ENERGY: 142600 661.1569 1778.3889 1995.9445 104.1443 2.3320 -1058.4773 0.0000 0.0000 2706.7523 6190.2417 298.9683 3483.4893 6223.6012 297.1104 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: 564.495, 0.00394836/step Wall: 564.495, 0.00394836/step, 2.5853 hours remaining, 110.871094 MB of memory in use. ENERGY: 142800 657.2819 1855.6928 1995.6112 102.2395 0.8179 -1076.0722 0.0000 0.0000 2702.5701 6238.1412 298.5064 3535.5711 6271.2912 297.8052 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: 565.285, 0.00394794/step Wall: 565.285, 0.00394794/step, 2.5848 hours remaining, 110.871094 MB of memory in use. ENERGY: 143000 670.7210 1803.4584 2014.0391 96.0709 1.1371 -1068.1185 0.0000 0.0000 2716.2816 6233.5895 300.0209 3517.3079 6269.4811 297.5100 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: 566.074, 0.00394847/step Wall: 566.074, 0.00394847/step, 2.58493 hours remaining, 110.871094 MB of memory in use. ENERGY: 143200 650.3864 1864.1256 2007.9862 106.1179 0.0068 -1051.2541 0.0000 0.0000 2683.8356 6261.2044 296.4371 3577.3688 6293.8372 300.9247 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: 566.864, 0.00394704/step Wall: 566.864, 0.00394704/step, 2.58378 hours remaining, 110.871094 MB of memory in use. ENERGY: 143400 652.6938 1846.3474 1998.6432 108.3991 -0.0733 -1017.9921 0.0000 0.0000 2670.1083 6258.1264 294.9209 3588.0181 6289.5019 298.0774 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: 567.652, 0.00394215/step Wall: 567.652, 0.00394215/step, 2.58035 hours remaining, 110.871094 MB of memory in use. ENERGY: 143600 650.9047 1868.7450 2013.9665 124.9104 -0.2379 -1075.1383 0.0000 0.0000 2746.9854 6330.1358 303.4122 3583.1504 6363.1595 301.2756 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: 568.442, 0.00394665/step Wall: 568.442, 0.00394665/step, 2.58308 hours remaining, 110.871094 MB of memory in use. ENERGY: 143800 650.7351 1868.3379 2030.7657 118.6645 1.1470 -1048.8819 0.0000 0.0000 2723.2900 6344.0583 300.7950 3620.7683 6377.3801 302.3553 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: 569.231, 0.00394796/step Wall: 569.231, 0.00394796/step, 2.58372 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 144000 688.6883 1901.6630 2018.4067 125.5533 1.5945 -1045.1270 0.0000 0.0000 2701.1174 6391.8962 298.3459 3690.7788 6423.0158 303.8364 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: 570.021, 0.00394722/step Wall: 570.021, 0.00394722/step, 2.58301 hours remaining, 110.871094 MB of memory in use. ENERGY: 144200 644.0586 1863.4748 2034.7154 100.4622 -0.3891 -1023.8151 0.0000 0.0000 2755.8310 6374.3378 304.3892 3618.5068 6407.3341 305.4700 LDB: ============= START OF LOAD BALANCING ============== 572.979 LDB: ============== END OF LOAD BALANCING =============== 572.979 LDB: =============== DONE WITH MIGRATION ================ 572.979 LDB: ============= START OF LOAD BALANCING ============== 573.375 LDB: ============== END OF LOAD BALANCING =============== 573.375 LDB: =============== DONE WITH MIGRATION ================ 573.375 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: 570.811, 0.00395072/step Wall: 570.811, 0.00395072/step, 2.58509 hours remaining, 110.871094 MB of memory in use. ENERGY: 144400 649.4357 1875.3562 2040.4565 113.2229 0.2030 -1086.7672 0.0000 0.0000 2754.1208 6346.0277 304.2003 3591.9070 6377.6713 303.8714 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: 571.599, 0.00394343/step Wall: 571.599, 0.00394343/step, 2.5801 hours remaining, 110.871094 MB of memory in use. ENERGY: 144600 647.5222 1862.4957 2023.2468 110.1490 -0.7796 -1045.1845 0.0000 0.0000 2734.2013 6331.6510 302.0001 3597.4497 6365.8226 303.8452 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: 572.389, 0.00394878/step Wall: 572.389, 0.00394878/step, 2.58338 hours remaining, 110.871094 MB of memory in use. ENERGY: 144800 700.8135 1847.4448 2002.2190 111.8719 -0.8681 -1077.2191 0.0000 0.0000 2732.2300 6316.4922 301.7824 3584.2622 6352.2367 303.0636 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: 573.179, 0.00394832/step Wall: 573.179, 0.00394832/step, 2.58286 hours remaining, 110.871094 MB of memory in use. ENERGY: 145000 671.2051 1869.9920 1975.3647 99.8018 0.1550 -1068.5508 0.0000 0.0000 2773.0171 6320.9849 306.2875 3547.9678 6353.8397 303.3070 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: 573.968, 0.00394804/step Wall: 573.968, 0.00394805/step, 2.58246 hours remaining, 110.871094 MB of memory in use. ENERGY: 145200 654.3116 1869.9464 2013.4097 105.9367 2.3111 -1058.7789 0.0000 0.0000 2714.1418 6301.2783 299.7845 3587.1365 6332.6365 301.3040 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: 574.758, 0.00394851/step Wall: 574.758, 0.00394851/step, 2.58255 hours remaining, 110.871094 MB of memory in use. ENERGY: 145400 657.5424 1834.1091 1996.1269 97.2977 -0.7372 -1059.1605 0.0000 0.0000 2739.6124 6264.7908 302.5978 3525.1783 6295.4454 300.3414 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: 575.547, 0.00394589/step Wall: 575.547, 0.00394589/step, 2.58061 hours remaining, 110.871094 MB of memory in use. ENERGY: 145600 671.0662 1868.3681 1991.7080 99.8713 -0.5508 -1064.0596 0.0000 0.0000 2690.3676 6256.7707 297.1586 3566.4031 6287.0100 299.9293 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: 576.337, 0.0039474/step Wall: 576.337, 0.0039474/step, 2.58138 hours remaining, 110.871094 MB of memory in use. ENERGY: 145800 656.9865 1796.5067 1975.4233 104.5380 -0.5353 -1016.6652 0.0000 0.0000 2660.2006 6176.4547 293.8266 3516.2541 6208.6865 297.2777 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: 577.126, 0.0039475/step Wall: 577.126, 0.0039475/step, 2.58123 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 146000 656.4824 1850.6990 1994.0199 108.8262 1.0117 -1091.4045 0.0000 0.0000 2732.5008 6252.1355 301.8123 3519.6347 6286.4352 299.5515 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: 577.916, 0.00394823/step Wall: 577.916, 0.00394823/step, 2.58148 hours remaining, 110.871094 MB of memory in use. ENERGY: 146200 656.9859 1882.7374 1981.3779 110.5465 -0.2541 -1083.3137 0.0000 0.0000 2729.6512 6277.7312 301.4976 3548.0800 6311.8501 300.5177 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: 578.705, 0.00394425/step Wall: 578.705, 0.00394425/step, 2.57866 hours remaining, 110.871094 MB of memory in use. ENERGY: 146400 661.5458 1838.7403 2003.5659 116.3872 -0.6229 -1032.8881 0.0000 0.0000 2732.0990 6318.8272 301.7679 3586.7282 6354.2475 301.2298 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: 579.496, 0.00395362/step Wall: 579.496, 0.00395362/step, 2.58457 hours remaining, 110.871094 MB of memory in use. ENERGY: 146600 683.3873 1917.3683 2033.6399 111.7895 -0.5775 -1088.5717 0.0000 0.0000 2717.4482 6374.4839 300.1497 3657.0357 6408.2484 302.9108 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: 580.288, 0.00396044/step Wall: 580.288, 0.00396044/step, 2.58881 hours remaining, 110.871094 MB of memory in use. ENERGY: 146800 671.8227 1861.6821 1999.1953 106.0544 -0.8036 -1049.2141 0.0000 0.0000 2759.0207 6347.7576 304.7415 3588.7369 6383.1214 304.5314 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: 581.078, 0.00395351/step Wall: 581.078, 0.00395351/step, 2.58406 hours remaining, 110.871094 MB of memory in use. ENERGY: 147000 683.0441 1927.4542 2018.1366 106.0823 -0.4758 -1062.9827 0.0000 0.0000 2697.4010 6368.6597 297.9355 3671.2587 6401.9367 303.9876 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: 581.869, 0.00395263/step Wall: 581.869, 0.00395263/step, 2.58326 hours remaining, 110.871094 MB of memory in use. ENERGY: 147200 665.6329 1917.4745 1980.7345 102.0521 -0.2274 -1063.7171 0.0000 0.0000 2713.1645 6315.1140 299.6766 3601.9495 6347.8280 303.6914 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: 582.657, 0.00394268/step Wall: 582.657, 0.00394268/step, 2.57654 hours remaining, 110.871094 MB of memory in use. ENERGY: 147400 630.3057 1833.7265 1991.5222 105.8080 -0.8535 -1019.0776 0.0000 0.0000 2729.5916 6271.0229 301.4910 3541.4313 6306.1908 301.3545 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: 583.448, 0.00395074/step Wall: 583.448, 0.00395074/step, 2.58159 hours remaining, 110.871094 MB of memory in use. ENERGY: 147600 651.1136 1834.8588 1989.3771 114.3273 -1.1740 -1032.9203 0.0000 0.0000 2706.4032 6261.9857 298.9298 3555.5824 6294.4066 299.9009 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: 584.238, 0.00394992/step Wall: 584.238, 0.00394992/step, 2.58083 hours remaining, 110.871094 MB of memory in use. ENERGY: 147800 619.4472 1837.6854 1991.9095 105.1265 -0.3407 -1077.2719 0.0000 0.0000 2745.0684 6221.6244 303.2005 3476.5560 6258.5807 297.8416 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: 585.028, 0.0039512/step Wall: 585.028, 0.0039512/step, 2.58145 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 148000 670.3324 1902.3196 2024.3139 106.4022 0.2529 -1101.5456 0.0000 0.0000 2695.8061 6297.8814 297.7593 3602.0754 6327.1464 299.9344 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: 585.818, 0.00395143/step Wall: 585.818, 0.00395143/step, 2.58138 hours remaining, 110.871094 MB of memory in use. ENERGY: 148200 678.9777 1794.7053 1998.5719 102.6640 -0.1350 -1104.0276 0.0000 0.0000 2813.0208 6283.7771 310.7060 3470.7563 6320.0108 301.1560 LDB: ============= START OF LOAD BALANCING ============== 588.777 LDB: ============== END OF LOAD BALANCING =============== 588.777 LDB: =============== DONE WITH MIGRATION ================ 588.777 LDB: ============= START OF LOAD BALANCING ============== 589.172 LDB: ============== END OF LOAD BALANCING =============== 589.172 LDB: =============== DONE WITH MIGRATION ================ 589.172 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: 586.608, 0.00394781/step Wall: 586.608, 0.00394781/step, 2.5788 hours remaining, 110.871094 MB of memory in use. ENERGY: 148400 644.0793 1876.3129 1979.4747 95.6217 0.3779 -1078.6991 0.0000 0.0000 2767.1916 6284.3591 305.6440 3517.1674 6318.9631 301.9882 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: 587.398, 0.00395038/step Wall: 587.398, 0.00395038/step, 2.58026 hours remaining, 110.871094 MB of memory in use. ENERGY: 148600 665.9956 1826.1250 1978.1993 113.9223 1.1469 -1041.8557 0.0000 0.0000 2748.3155 6291.8489 303.5591 3543.5334 6326.3015 303.1167 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: 588.187, 0.00394891/step Wall: 588.187, 0.00394891/step, 2.57907 hours remaining, 110.871094 MB of memory in use. ENERGY: 148800 631.9980 1905.0762 1973.3398 116.4043 -0.3775 -1046.2577 0.0000 0.0000 2719.6644 6299.8475 300.3945 3580.1831 6332.1526 302.1928 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: 588.977, 0.00394936/step Wall: 588.977, 0.00394936/step, 2.57915 hours remaining, 110.871094 MB of memory in use. ENERGY: 149000 673.0533 1830.3389 1985.5898 103.0106 0.0163 -1054.5126 0.0000 0.0000 2782.1415 6319.6378 307.2953 3537.4962 6353.2578 300.4384 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: 589.766, 0.00394476/step Wall: 589.766, 0.00394476/step, 2.57593 hours remaining, 110.871094 MB of memory in use. ENERGY: 149200 695.8052 1874.9998 1995.7597 109.7139 -0.1987 -1081.2472 0.0000 0.0000 2718.8396 6313.6722 300.3034 3594.8326 6344.5769 302.5539 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: 590.556, 0.00395089/step Wall: 590.556, 0.00395089/step, 2.57971 hours remaining, 110.871094 MB of memory in use. ENERGY: 149400 685.8075 1879.1917 1961.7777 103.5817 -0.3140 -1055.0349 0.0000 0.0000 2740.9760 6315.9856 302.7484 3575.0096 6347.4204 302.6759 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: 591.347, 0.00395128/step Wall: 591.347, 0.00395128/step, 2.57974 hours remaining, 110.871094 MB of memory in use. ENERGY: 149600 639.6234 1878.0274 2000.3894 104.9703 1.1361 -1075.9181 0.0000 0.0000 2703.7445 6251.9731 298.6361 3548.2286 6284.6154 301.0618 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: 592.136, 0.00394845/step Wall: 592.136, 0.00394845/step, 2.57768 hours remaining, 110.871094 MB of memory in use. ENERGY: 149800 699.4049 1814.2882 2005.0982 100.6650 1.5974 -1100.3016 0.0000 0.0000 2705.3534 6226.1055 298.8138 3520.7521 6260.1565 298.0423 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: 592.926, 0.00394991/step Wall: 592.926, 0.00394991/step, 2.57841 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 150000 697.7675 1837.1439 1974.2896 107.2494 0.7641 -1125.6617 0.0000 0.0000 2741.8092 6233.3621 302.8405 3491.5528 6269.0606 298.8374 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 150000 WRITING COORDINATES TO DCD FILE MD.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: 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: 593.748, 0.00411015/step Wall: 593.748, 0.00411015/step, 2.68278 hours remaining, 110.871094 MB of memory in use. ENERGY: 150200 668.8109 1855.3891 1991.3538 110.7876 1.6046 -1090.7352 0.0000 0.0000 2683.4890 6220.6998 296.3988 3537.2108 6252.0274 299.4806 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: 594.538, 0.00394938/step Wall: 594.538, 0.00394938/step, 2.57763 hours remaining, 110.871094 MB of memory in use. ENERGY: 150400 672.3784 1871.1651 1995.9464 101.5615 -0.8820 -1087.8912 0.0000 0.0000 2732.8471 6285.1254 301.8506 3552.2783 6320.3479 300.8377 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: 595.328, 0.00395008/step Wall: 595.328, 0.00395008/step, 2.57787 hours remaining, 110.871094 MB of memory in use. ENERGY: 150600 643.9685 1847.9898 1998.7099 121.9881 1.1120 -1071.8213 0.0000 0.0000 2786.2451 6328.1922 307.7485 3541.9471 6362.3752 302.6120 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: 596.118, 0.00394981/step Wall: 596.118, 0.00394981/step, 2.57747 hours remaining, 110.871094 MB of memory in use. ENERGY: 150800 670.2502 1845.7230 1997.6192 123.3895 -1.0737 -1072.5050 0.0000 0.0000 2732.2554 6295.6586 301.7852 3563.4033 6327.1664 303.4311 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: 596.908, 0.0039481/step Wall: 596.908, 0.0039481/step, 2.57614 hours remaining, 110.871094 MB of memory in use. ENERGY: 151000 661.2474 1836.5704 1991.4753 115.1405 0.4260 -1039.0841 0.0000 0.0000 2732.7878 6298.5632 301.8440 3565.7754 6330.8276 301.0750 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: 597.696, 0.0039419/step Wall: 597.696, 0.0039419/step, 2.57187 hours remaining, 110.871094 MB of memory in use. ENERGY: 151200 668.0585 1890.4197 1989.7349 103.0204 1.0106 -1053.2006 0.0000 0.0000 2710.0780 6309.1215 299.3357 3599.0435 6342.2381 302.7584 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: 598.486, 0.00394732/step Wall: 598.486, 0.00394732/step, 2.57519 hours remaining, 110.871094 MB of memory in use. ENERGY: 151400 698.2976 1879.2868 2022.4472 119.4196 0.0875 -1103.5684 0.0000 0.0000 2723.7370 6339.7073 300.8443 3615.9703 6368.9825 303.3074 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: 599.275, 0.00394833/step Wall: 599.275, 0.00394833/step, 2.57563 hours remaining, 110.871094 MB of memory in use. ENERGY: 151600 665.5666 1877.0667 2014.6805 108.7533 -0.2380 -1079.4806 0.0000 0.0000 2738.3358 6324.6843 302.4568 3586.3485 6358.8549 304.1640 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: 600.065, 0.00394839/step Wall: 600.065, 0.00394839/step, 2.57544 hours remaining, 110.871094 MB of memory in use. ENERGY: 151800 716.3780 1859.4803 1959.6619 100.4457 2.2240 -1056.7033 0.0000 0.0000 2727.0420 6308.5285 301.2094 3581.4865 6339.5857 304.4324 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: 600.855, 0.00394854/step Wall: 600.855, 0.00394855/step, 2.57533 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 152000 674.3678 1878.4126 1995.4169 125.6421 0.8064 -1062.8216 0.0000 0.0000 2698.9278 6310.7520 298.1041 3611.8243 6341.4645 304.4776 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: 601.644, 0.00394395/step Wall: 601.644, 0.00394395/step, 2.57211 hours remaining, 110.871094 MB of memory in use. ENERGY: 152200 640.3292 1910.2320 1976.4832 107.3915 0.0053 -1068.4830 0.0000 0.0000 2711.7510 6277.7092 299.5204 3565.9583 6309.7025 301.8766 LDB: ============= START OF LOAD BALANCING ============== 604.604 LDB: ============== END OF LOAD BALANCING =============== 604.604 LDB: =============== DONE WITH MIGRATION ================ 604.604 LDB: ============= START OF LOAD BALANCING ============== 604.999 LDB: ============== END OF LOAD BALANCING =============== 604.999 LDB: =============== DONE WITH MIGRATION ================ 604.999 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: 602.435, 0.00395475/step Wall: 602.435, 0.00395475/step, 2.57894 hours remaining, 110.871094 MB of memory in use. ENERGY: 152400 641.6391 1860.0111 1977.3607 109.1228 -0.2481 -1067.5117 0.0000 0.0000 2710.6252 6230.9993 299.3961 3520.3740 6264.9341 299.7321 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: 603.225, 0.00395023/step Wall: 603.225, 0.00395023/step, 2.57577 hours remaining, 110.871094 MB of memory in use. ENERGY: 152600 679.7394 1843.3728 2018.2650 111.8835 -0.0811 -1085.4475 0.0000 0.0000 2724.7562 6292.4883 300.9569 3567.7322 6323.9308 297.9834 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: 604.014, 0.00394912/step Wall: 604.014, 0.00394912/step, 2.57482 hours remaining, 110.871094 MB of memory in use. ENERGY: 152800 632.8003 1840.2468 1995.1370 109.0128 -0.1188 -1089.5196 0.0000 0.0000 2755.3050 6242.8636 304.3311 3487.5586 6278.5184 301.2329 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: 604.803, 0.00394062/step Wall: 604.803, 0.00394062/step, 2.56906 hours remaining, 110.871094 MB of memory in use. ENERGY: 153000 654.6111 1856.0202 1973.1250 113.3266 -1.6770 -1043.8281 0.0000 0.0000 2729.1970 6280.7748 301.4474 3551.5778 6314.5390 299.6995 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: 605.592, 0.00394794/step Wall: 605.592, 0.00394794/step, 2.57362 hours remaining, 110.871094 MB of memory in use. ENERGY: 153200 648.8113 1837.4770 1990.6224 117.2241 -0.6720 -1097.6875 0.0000 0.0000 2789.2135 6284.9888 308.0764 3495.7753 6320.0201 300.7440 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: 606.382, 0.00394802/step Wall: 606.382, 0.00394802/step, 2.57345 hours remaining, 110.871094 MB of memory in use. ENERGY: 153400 686.6247 1855.1267 1971.1019 120.0193 -0.1308 -1088.2853 0.0000 0.0000 2673.0596 6217.5162 295.2469 3544.4566 6248.2162 298.3526 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: 607.171, 0.00394892/step Wall: 607.171, 0.00394892/step, 2.57382 hours remaining, 110.871094 MB of memory in use. ENERGY: 153600 652.1483 1799.6172 1985.3533 108.3972 -0.2253 -1079.8653 0.0000 0.0000 2745.4974 6210.9228 303.2478 3465.4254 6245.4363 296.1730 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: 607.961, 0.0039474/step Wall: 607.961, 0.0039474/step, 2.57261 hours remaining, 110.871094 MB of memory in use. ENERGY: 153800 645.6829 1816.9952 2016.9187 117.2164 -0.3175 -1112.9573 0.0000 0.0000 2661.3325 6144.8709 293.9516 3483.5384 6180.0690 295.7912 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: 608.749, 0.00394186/step Wall: 608.749, 0.00394186/step, 2.56878 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 154000 703.3781 1796.8780 2001.0986 107.5642 0.0457 -1122.9616 0.0000 0.0000 2689.6308 6175.6338 297.0772 3486.0030 6209.8818 295.9606 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: 609.539, 0.00394976/step Wall: 609.539, 0.00394976/step, 2.57371 hours remaining, 110.871094 MB of memory in use. ENERGY: 154200 625.9078 1839.7550 1993.7240 112.9619 0.7106 -1084.6860 0.0000 0.0000 2672.7755 6161.1488 295.2155 3488.3733 6193.9543 295.2599 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: 610.329, 0.00394775/step Wall: 610.329, 0.00394775/step, 2.57218 hours remaining, 110.871094 MB of memory in use. ENERGY: 154400 676.4677 1800.6913 2032.4698 109.4774 -0.9122 -1120.5913 0.0000 0.0000 2717.0147 6214.6173 300.1018 3497.6026 6250.1560 295.7326 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: 611.119, 0.00394931/step Wall: 611.119, 0.00394931/step, 2.57298 hours remaining, 110.871094 MB of memory in use. ENERGY: 154600 668.6546 1839.1527 2020.0016 106.2225 0.8098 -1086.0960 0.0000 0.0000 2664.3729 6213.1182 294.2874 3548.7453 6243.6666 296.7463 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: 611.908, 0.00394703/step Wall: 611.908, 0.00394703/step, 2.57127 hours remaining, 110.871094 MB of memory in use. ENERGY: 154800 637.4741 1835.9283 2001.9158 95.5696 -0.6964 -1076.0793 0.0000 0.0000 2696.1528 6190.2649 297.7976 3494.1121 6222.4758 297.1877 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: 612.697, 0.0039421/step Wall: 612.697, 0.0039421/step, 2.56784 hours remaining, 110.871094 MB of memory in use. ENERGY: 155000 672.7194 1858.1396 2017.1440 115.7724 -0.3033 -1082.9267 0.0000 0.0000 2626.0410 6206.5864 290.0535 3580.5454 6235.2660 297.4051 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: 613.486, 0.00394882/step Wall: 613.486, 0.00394883/step, 2.572 hours remaining, 110.871094 MB of memory in use. ENERGY: 155200 693.7273 1868.2760 2017.5803 101.8721 -1.4219 -1097.6562 0.0000 0.0000 2640.6217 6222.9993 291.6640 3582.3776 6253.2948 296.5034 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: 614.276, 0.00394742/step Wall: 614.276, 0.00394742/step, 2.57087 hours remaining, 110.871094 MB of memory in use. ENERGY: 155400 678.7271 1875.9186 2015.7041 112.0759 -1.3599 -1077.2258 0.0000 0.0000 2667.5697 6271.4098 294.6405 3603.8400 6300.0374 298.9343 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: 615.066, 0.00394931/step Wall: 615.066, 0.00394931/step, 2.57188 hours remaining, 110.871094 MB of memory in use. ENERGY: 155600 648.7140 1842.9481 1979.7518 106.8263 -0.7702 -1094.9308 0.0000 0.0000 2778.6825 6261.2216 306.9132 3482.5392 6295.9595 300.0761 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: 615.855, 0.00394709/step Wall: 615.855, 0.00394709/step, 2.57021 hours remaining, 110.871094 MB of memory in use. ENERGY: 155800 624.3598 1865.4968 1974.0907 107.4073 -1.2718 -1043.5706 0.0000 0.0000 2736.1028 6262.6149 302.2102 3526.5121 6297.9192 300.4885 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: 616.643, 0.00394161/step Wall: 616.643, 0.00394161/step, 2.56643 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 156000 673.7454 1838.4964 1982.4858 98.7664 -2.1994 -1083.5616 0.0000 0.0000 2711.1627 6218.8957 299.4555 3507.7330 6254.4603 299.9274 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: 617.433, 0.00394789/step Wall: 617.433, 0.00394789/step, 2.57029 hours remaining, 110.871094 MB of memory in use. ENERGY: 156200 648.0804 1825.5285 2011.1377 100.1849 -1.0192 -1056.5085 0.0000 0.0000 2676.2701 6203.6739 295.6015 3527.4038 6232.0371 298.7824 LDB: ============= START OF LOAD BALANCING ============== 620.391 LDB: ============== END OF LOAD BALANCING =============== 620.392 LDB: =============== DONE WITH MIGRATION ================ 620.392 LDB: ============= START OF LOAD BALANCING ============== 620.788 LDB: ============== END OF LOAD BALANCING =============== 620.788 LDB: =============== DONE WITH MIGRATION ================ 620.788 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: 618.223, 0.0039522/step Wall: 618.223, 0.0039522/step, 2.57288 hours remaining, 110.871094 MB of memory in use. ENERGY: 156400 654.8718 1868.4964 1995.7507 103.0688 0.2881 -1077.8086 0.0000 0.0000 2721.8688 6266.5360 300.6380 3544.6672 6298.9422 300.4273 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: 619.016, 0.00396123/step Wall: 619.016, 0.00396123/step, 2.57854 hours remaining, 110.871094 MB of memory in use. ENERGY: 156600 675.5101 1879.9000 2002.3049 100.5674 -0.8458 -1118.4505 0.0000 0.0000 2732.5232 6271.5093 301.8148 3538.9861 6302.5785 299.4071 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: 619.805, 0.00394485/step Wall: 619.805, 0.00394485/step, 2.56766 hours remaining, 110.871094 MB of memory in use. ENERGY: 156800 651.9121 1841.5392 2011.2469 105.4570 -1.2072 -1087.6671 0.0000 0.0000 2767.2482 6288.5291 305.6503 3521.2810 6324.6668 303.0933 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: 620.594, 0.00394804/step Wall: 620.594, 0.00394804/step, 2.56952 hours remaining, 110.871094 MB of memory in use. ENERGY: 157000 688.8445 1831.4660 1999.3635 108.0271 1.3219 -1103.0059 0.0000 0.0000 2739.3293 6265.3463 302.5666 3526.0171 6302.9266 302.9450 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: 621.384, 0.00394702/step Wall: 621.384, 0.00394702/step, 2.56863 hours remaining, 110.871094 MB of memory in use. ENERGY: 157200 696.6996 1875.4134 1980.7306 112.6236 -0.3336 -1114.1572 0.0000 0.0000 2675.4063 6226.3827 295.5061 3550.9764 6255.4866 299.0511 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: 622.173, 0.00394572/step Wall: 622.173, 0.00394572/step, 2.56757 hours remaining, 110.871094 MB of memory in use. ENERGY: 157400 648.1983 1850.1803 2014.5741 113.3420 -1.5137 -1077.7017 0.0000 0.0000 2712.3403 6259.4198 299.5855 3547.0794 6292.6100 298.5920 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: 622.962, 0.00394583/step Wall: 622.962, 0.00394583/step, 2.56742 hours remaining, 110.871094 MB of memory in use. ENERGY: 157600 683.8082 1847.7875 1980.9649 110.3585 -1.3508 -1067.4034 0.0000 0.0000 2696.9818 6251.1466 297.8892 3554.1648 6285.2195 298.5095 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: 623.751, 0.00394378/step Wall: 623.751, 0.00394378/step, 2.56587 hours remaining, 110.871094 MB of memory in use. ENERGY: 157800 673.5946 1830.2909 1991.4456 111.4258 -0.1951 -1093.5718 0.0000 0.0000 2784.0051 6296.9950 307.5011 3512.9899 6331.7383 300.8963 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: 624.54, 0.00394703/step Wall: 624.54, 0.00394703/step, 2.56776 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 158000 674.6661 1885.2885 1955.1421 110.9425 1.4524 -1097.5082 0.0000 0.0000 2756.4579 6286.4413 304.4584 3529.9834 6320.1900 301.1447 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: 625.329, 0.00394572/step Wall: 625.329, 0.00394572/step, 2.56669 hours remaining, 110.871094 MB of memory in use. ENERGY: 158200 618.4571 1876.3479 1983.6814 114.5115 0.8828 -1053.5431 0.0000 0.0000 2790.7706 6331.1082 308.2484 3540.3376 6363.8086 301.8845 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: 626.119, 0.00394692/step Wall: 626.119, 0.00394692/step, 2.56725 hours remaining, 110.871094 MB of memory in use. ENERGY: 158400 667.3572 1918.8223 2027.5843 108.1355 -0.4835 -1122.4126 0.0000 0.0000 2728.6031 6327.6063 301.3818 3599.0033 6361.8405 304.9037 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: 626.908, 0.00394611/step Wall: 626.908, 0.00394611/step, 2.56651 hours remaining, 110.871094 MB of memory in use. ENERGY: 158600 685.5989 1824.3195 2010.4985 124.9497 -0.2440 -1079.2502 0.0000 0.0000 2766.2285 6332.1009 305.5376 3565.8724 6366.2423 305.1667 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: 627.696, 0.00394192/step Wall: 627.696, 0.00394192/step, 2.56356 hours remaining, 110.871094 MB of memory in use. ENERGY: 158800 648.0426 1873.3736 1989.2636 108.4850 0.3376 -1057.3640 0.0000 0.0000 2724.1587 6286.2971 300.8909 3562.1384 6319.1635 304.8851 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: 628.486, 0.00394695/step Wall: 628.486, 0.00394695/step, 2.56661 hours remaining, 110.871094 MB of memory in use. ENERGY: 159000 636.3317 1894.0131 2009.3143 114.5002 -1.4535 -1075.5816 0.0000 0.0000 2758.2789 6335.4032 304.6596 3577.1243 6369.1245 303.3568 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: 629.275, 0.00394882/step Wall: 629.275, 0.00394882/step, 2.56761 hours remaining, 110.871094 MB of memory in use. ENERGY: 159200 649.0201 1883.5416 2000.4176 106.3132 -0.8865 -1053.7714 0.0000 0.0000 2756.1077 6340.7424 304.4198 3584.6347 6375.1677 303.1681 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: 630.065, 0.00394686/step Wall: 630.065, 0.00394686/step, 2.56611 hours remaining, 110.871094 MB of memory in use. ENERGY: 159400 664.8943 1848.3569 1992.0899 100.0392 -0.4748 -1016.0613 0.0000 0.0000 2785.1116 6373.9557 307.6233 3588.8441 6407.0136 305.1576 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: 630.853, 0.00394177/step Wall: 630.853, 0.00394176/step, 2.56259 hours remaining, 110.871094 MB of memory in use. ENERGY: 159600 665.3007 1842.2889 2000.5632 103.9575 -0.8196 -1050.1903 0.0000 0.0000 2755.8911 6316.9915 304.3958 3561.1004 6348.8938 304.9829 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: 631.643, 0.00394761/step Wall: 631.643, 0.00394761/step, 2.56617 hours remaining, 110.871094 MB of memory in use. ENERGY: 159800 668.7659 1863.2304 2009.0611 111.9290 -1.0801 -1068.2937 0.0000 0.0000 2774.2728 6357.8852 306.4262 3583.6124 6393.8191 304.1489 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: 632.432, 0.00394844/step Wall: 632.432, 0.00394844/step, 2.56649 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 160000 677.7035 1849.4931 2015.7208 116.0546 0.2750 -1075.7145 0.0000 0.0000 2648.1460 6231.6785 292.4951 3583.5325 6264.6549 300.0411 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 160000 WRITING COORDINATES TO DCD FILE MD.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: 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: 633.258, 0.00412955/step Wall: 633.258, 0.00412955/step, 2.68398 hours remaining, 110.871094 MB of memory in use. ENERGY: 160200 685.1462 1796.9470 1988.1583 101.4892 -0.8655 -1066.3401 0.0000 0.0000 2736.4523 6240.9874 302.2488 3504.5351 6276.0949 297.6325 LDB: ============= START OF LOAD BALANCING ============== 636.217 LDB: ============== END OF LOAD BALANCING =============== 636.217 LDB: =============== DONE WITH MIGRATION ================ 636.217 LDB: ============= START OF LOAD BALANCING ============== 636.613 LDB: ============== END OF LOAD BALANCING =============== 636.613 LDB: =============== DONE WITH MIGRATION ================ 636.613 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: 634.049, 0.00395228/step Wall: 634.049, 0.00395228/step, 2.56854 hours remaining, 110.871094 MB of memory in use. ENERGY: 160400 605.5658 1831.6366 1984.5229 112.3492 -0.3540 -1053.2050 0.0000 0.0000 2697.9443 6178.4599 297.9955 3480.5156 6211.7366 295.9735 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: 634.837, 0.00394268/step Wall: 634.837, 0.00394268/step, 2.56208 hours remaining, 110.871094 MB of memory in use. ENERGY: 160600 640.5878 1780.6289 1994.4106 106.2117 -0.9414 -1079.6651 0.0000 0.0000 2716.5831 6157.8156 300.0542 3441.2325 6194.0391 295.2180 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: 635.627, 0.00394753/step Wall: 635.627, 0.00394753/step, 2.56501 hours remaining, 110.871094 MB of memory in use. ENERGY: 160800 649.7858 1847.9942 1983.5824 98.2471 -0.2517 -1071.1497 0.0000 0.0000 2649.6147 6157.8229 292.6573 3508.2082 6189.6378 294.4171 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: 636.416, 0.00394763/step Wall: 636.416, 0.00394763/step, 2.56486 hours remaining, 110.871094 MB of memory in use. ENERGY: 161000 647.8520 1825.3967 1997.3498 107.2220 -0.8218 -1121.1480 0.0000 0.0000 2628.6312 6084.4820 290.3396 3455.8507 6117.9163 292.3052 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: 637.206, 0.00394737/step Wall: 637.206, 0.00394736/step, 2.56447 hours remaining, 110.871094 MB of memory in use. ENERGY: 161200 633.8810 1821.3310 1992.5021 101.4205 -1.0598 -1097.2532 0.0000 0.0000 2642.8239 6093.6455 291.9073 3450.8217 6126.2842 288.6487 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: 637.995, 0.00394704/step Wall: 637.995, 0.00394705/step, 2.56405 hours remaining, 110.871094 MB of memory in use. ENERGY: 161400 692.1518 1755.1842 1995.8390 114.8106 -1.8701 -1081.8884 0.0000 0.0000 2621.3513 6095.5784 289.5356 3474.2271 6129.0021 291.8358 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: 638.784, 0.00394188/step Wall: 638.784, 0.00394188/step, 2.56047 hours remaining, 110.871094 MB of memory in use. ENERGY: 161600 668.6755 1816.7349 2004.9735 111.0380 -0.3846 -1098.5964 0.0000 0.0000 2684.2104 6186.6514 296.4785 3502.4410 6222.3241 293.6756 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: 639.573, 0.0039477/step Wall: 639.573, 0.0039477/step, 2.56403 hours remaining, 110.871094 MB of memory in use. ENERGY: 161800 683.2712 1797.3877 2004.4592 107.4192 -0.1446 -1097.3758 0.0000 0.0000 2667.0842 6162.1011 294.5869 3495.0169 6195.1783 296.2041 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: 640.366, 0.00396237/step Wall: 640.366, 0.00396237/step, 2.57334 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 162000 635.3430 1806.2623 2005.4507 103.6478 -0.1070 -1069.3137 0.0000 0.0000 2734.1344 6215.4175 301.9928 3481.2831 6251.9424 294.4118 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: 641.156, 0.00395244/step Wall: 641.156, 0.00395244/step, 2.56667 hours remaining, 110.871094 MB of memory in use. ENERGY: 162200 657.5292 1894.9815 2038.1943 101.3708 0.1942 -1090.5077 0.0000 0.0000 2678.4999 6280.2622 295.8478 3601.7622 6311.4636 298.6343 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: 641.946, 0.00395055/step Wall: 641.946, 0.00395055/step, 2.56522 hours remaining, 110.871094 MB of memory in use. ENERGY: 162400 686.4368 1825.1511 2013.5381 110.1671 -0.6014 -1077.3797 0.0000 0.0000 2693.7527 6251.0647 297.5325 3557.3120 6284.6571 298.1197 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: 642.735, 0.00394377/step Wall: 642.735, 0.00394377/step, 2.5606 hours remaining, 110.871094 MB of memory in use. ENERGY: 162600 661.0584 1824.4783 2024.5631 104.8726 0.1022 -1099.0998 0.0000 0.0000 2700.7554 6216.7303 298.3060 3515.9749 6250.9710 298.1027 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: 643.525, 0.00394879/step Wall: 643.525, 0.00394879/step, 2.56364 hours remaining, 110.871094 MB of memory in use. ENERGY: 162800 635.9205 1840.7248 2001.8071 112.0647 0.6576 -1073.0278 0.0000 0.0000 2713.1749 6231.3218 299.6777 3518.1470 6265.8838 296.6931 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: 644.314, 0.00394656/step Wall: 644.314, 0.00394656/step, 2.56197 hours remaining, 110.871094 MB of memory in use. ENERGY: 163000 657.7648 1828.2357 2011.8954 125.8164 -0.3839 -1059.6040 0.0000 0.0000 2683.1787 6246.9031 296.3646 3563.7244 6279.4724 299.7879 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: 645.103, 0.0039459/step Wall: 645.103, 0.0039459/step, 2.56133 hours remaining, 110.871094 MB of memory in use. ENERGY: 163200 612.9109 1874.3578 2009.8303 105.8176 0.1253 -1078.1622 0.0000 0.0000 2706.2421 6231.1218 298.9120 3524.8798 6266.2416 299.4375 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: 645.892, 0.00394418/step Wall: 645.892, 0.00394418/step, 2.55999 hours remaining, 110.871094 MB of memory in use. ENERGY: 163400 662.2498 1879.1813 1978.9245 104.4875 0.0227 -1027.6408 0.0000 0.0000 2698.6660 6295.8910 298.0752 3597.2250 6324.5713 299.5742 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: 646.681, 0.00394337/step Wall: 646.681, 0.00394337/step, 2.55925 hours remaining, 110.871094 MB of memory in use. ENERGY: 163600 624.9139 1850.5778 1984.1959 111.4533 -0.3681 -1001.1567 0.0000 0.0000 2740.1177 6309.7338 302.6536 3569.6162 6340.9166 300.8508 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: 647.47, 0.00394764/step Wall: 647.47, 0.00394764/step, 2.5618 hours remaining, 110.871094 MB of memory in use. ENERGY: 163800 658.2478 1875.4953 2028.1536 118.9796 -0.7454 -1042.3963 0.0000 0.0000 2689.0919 6326.8263 297.0177 3637.7345 6358.4487 301.8679 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: 648.26, 0.00394763/step Wall: 648.26, 0.00394763/step, 2.56157 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 164000 663.2036 1859.4555 2003.1261 101.9561 1.2501 -1074.3261 0.0000 0.0000 2727.5710 6282.2363 301.2678 3554.6653 6316.8304 302.1015 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: 649.049, 0.00394849/step Wall: 649.049, 0.00394849/step, 2.56191 hours remaining, 110.871094 MB of memory in use. ENERGY: 164200 683.2254 1825.8824 2032.2276 104.7132 -0.7247 -1101.4823 0.0000 0.0000 2758.2863 6302.1279 304.6604 3543.8416 6338.6147 299.8672 LDB: ============= START OF LOAD BALANCING ============== 652.008 LDB: ============== END OF LOAD BALANCING =============== 652.008 LDB: =============== DONE WITH MIGRATION ================ 652.008 LDB: ============= START OF LOAD BALANCING ============== 652.403 LDB: ============== END OF LOAD BALANCING =============== 652.403 LDB: =============== DONE WITH MIGRATION ================ 652.403 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: 649.839, 0.00394646/step Wall: 649.839, 0.00394646/step, 2.56038 hours remaining, 110.871094 MB of memory in use. ENERGY: 164400 674.3939 1848.4563 2000.6330 119.0905 -0.0468 -1086.0705 0.0000 0.0000 2748.7733 6305.2297 303.6097 3556.4564 6339.0778 302.7442 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: 650.628, 0.00394837/step Wall: 650.628, 0.00394837/step, 2.56139 hours remaining, 110.871094 MB of memory in use. ENERGY: 164600 683.1763 1854.1867 2026.2196 107.1550 -0.1170 -1068.7185 0.0000 0.0000 2691.4621 6293.3641 297.2795 3601.9020 6324.6587 302.4873 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: 651.418, 0.00394893/step Wall: 651.418, 0.00394893/step, 2.56154 hours remaining, 110.871094 MB of memory in use. ENERGY: 164800 674.2737 1915.1059 1970.1021 114.0886 0.1820 -1049.2854 0.0000 0.0000 2698.0690 6322.5358 298.0092 3624.4668 6352.9737 302.0725 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: 652.207, 0.00394594/step Wall: 652.207, 0.00394594/step, 2.55938 hours remaining, 110.871094 MB of memory in use. ENERGY: 165000 667.5888 1849.8905 1990.9998 104.8391 -0.2712 -1056.7971 0.0000 0.0000 2739.1360 6295.3859 302.5452 3556.2499 6327.7034 302.0062 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: 652.997, 0.00394713/step Wall: 652.997, 0.00394713/step, 2.55993 hours remaining, 110.871094 MB of memory in use. ENERGY: 165200 685.0866 1806.7060 1997.6499 109.3471 -0.3935 -1075.7455 0.0000 0.0000 2773.1014 6295.7520 306.2968 3522.6505 6331.1050 300.8296 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: 653.785, 0.00394279/step Wall: 653.785, 0.00394279/step, 2.5569 hours remaining, 110.871094 MB of memory in use. ENERGY: 165400 663.7173 1861.8428 1988.2156 101.7393 0.6617 -1070.4915 0.0000 0.0000 2768.1209 6313.8060 305.7467 3545.6851 6347.5540 302.0621 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: 654.574, 0.0039456/step Wall: 654.574, 0.0039456/step, 2.55851 hours remaining, 110.871094 MB of memory in use. ENERGY: 165600 666.4305 1845.6306 2005.9987 119.8652 0.5676 -1056.1400 0.0000 0.0000 2755.6623 6338.0150 304.3706 3582.3527 6372.8278 303.2145 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: 655.364, 0.00394606/step Wall: 655.364, 0.00394606/step, 2.55858 hours remaining, 110.871094 MB of memory in use. ENERGY: 165800 685.8493 1871.6250 2019.3402 116.5598 -0.4749 -1100.0199 0.0000 0.0000 2741.3319 6334.2114 302.7877 3592.8795 6364.0430 303.6654 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: 656.153, 0.00394601/step Wall: 656.153, 0.00394601/step, 2.55833 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 166000 654.7615 1875.9525 2012.8161 112.7378 0.3168 -1047.7544 0.0000 0.0000 2687.3474 6296.1778 296.8250 3608.8304 6327.5544 303.5338 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: 656.942, 0.00394627/step Wall: 656.942, 0.00394627/step, 2.55828 hours remaining, 110.871094 MB of memory in use. ENERGY: 166200 649.1054 1799.7711 2003.6245 117.3783 0.9472 -1068.0182 0.0000 0.0000 2814.2006 6317.0089 310.8363 3502.8083 6353.2338 303.0100 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: 657.73, 0.00394107/step Wall: 657.73, 0.00394107/step, 2.55469 hours remaining, 110.871094 MB of memory in use. ENERGY: 166400 690.2716 1818.0011 1971.3415 115.1792 0.4938 -1051.8822 0.0000 0.0000 2752.7692 6296.1741 304.0510 3543.4049 6328.9977 302.8307 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: 658.52, 0.00394635/step Wall: 658.52, 0.00394635/step, 2.55789 hours remaining, 110.871094 MB of memory in use. ENERGY: 166600 661.8973 1810.2546 1980.6698 111.5186 -0.6881 -1048.3066 0.0000 0.0000 2743.0873 6258.4330 302.9816 3515.3456 6293.2401 299.8861 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: 659.31, 0.00395437/step Wall: 659.31, 0.00395437/step, 2.56287 hours remaining, 110.871094 MB of memory in use. ENERGY: 166800 619.8680 1817.3609 1975.2515 106.9187 0.4249 -1043.0529 0.0000 0.0000 2707.2888 6184.0599 299.0276 3476.7710 6219.1689 297.2299 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: 660.099, 0.00394422/step Wall: 660.099, 0.00394422/step, 2.55607 hours remaining, 110.871094 MB of memory in use. ENERGY: 167000 660.7321 1827.5697 1989.6964 109.1538 -0.8651 -1059.4441 0.0000 0.0000 2696.2928 6223.1357 297.8131 3526.8429 6255.3397 295.3847 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: 660.888, 0.00394197/step Wall: 660.888, 0.00394197/step, 2.5544 hours remaining, 110.871094 MB of memory in use. ENERGY: 167200 621.5624 1870.9654 1994.8871 116.0451 0.7686 -1071.1127 0.0000 0.0000 2676.0398 6209.1558 295.5760 3533.1160 6241.0131 296.2356 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: 661.677, 0.00394715/step Wall: 661.677, 0.00394715/step, 2.55753 hours remaining, 110.871094 MB of memory in use. ENERGY: 167400 689.4614 1857.5220 1989.9375 99.6809 -0.7905 -1070.8192 0.0000 0.0000 2628.8734 6193.8654 290.3664 3564.9921 6225.8033 296.0248 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: 662.466, 0.00394683/step Wall: 662.466, 0.00394683/step, 2.55711 hours remaining, 110.871094 MB of memory in use. ENERGY: 167600 660.7982 1804.6409 1992.7289 104.7522 0.5133 -1060.5991 0.0000 0.0000 2699.7247 6202.5591 298.1921 3502.8344 6237.1908 296.1966 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: 663.256, 0.00394696/step Wall: 663.256, 0.00394696/step, 2.55697 hours remaining, 110.871094 MB of memory in use. ENERGY: 167800 667.0084 1810.7311 1994.6485 110.2541 -0.7425 -1083.6674 0.0000 0.0000 2737.8498 6236.0820 302.4031 3498.2322 6269.2926 297.8948 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: 664.045, 0.0039465/step Wall: 664.045, 0.00394649/step, 2.55645 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 168000 697.2453 1856.4220 2007.8566 110.1627 -0.1978 -1070.3840 0.0000 0.0000 2645.4355 6246.5402 292.1957 3601.1047 6279.3318 297.7958 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: 664.833, 0.00393946/step Wall: 664.833, 0.00393946/step, 2.55168 hours remaining, 110.871094 MB of memory in use. ENERGY: 168200 652.5149 1849.4872 2014.2692 107.5936 -0.8682 -1049.2345 0.0000 0.0000 2686.7162 6260.4783 296.7553 3573.7622 6293.5027 297.7594 LDB: ============= START OF LOAD BALANCING ============== 667.793 LDB: ============== END OF LOAD BALANCING =============== 667.793 LDB: =============== DONE WITH MIGRATION ================ 667.793 LDB: ============= START OF LOAD BALANCING ============== 668.188 LDB: ============== END OF LOAD BALANCING =============== 668.188 LDB: =============== DONE WITH MIGRATION ================ 668.188 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: 665.623, 0.00395153/step Wall: 665.623, 0.00395153/step, 2.55927 hours remaining, 110.871094 MB of memory in use. ENERGY: 168400 672.9797 1780.1038 2021.3320 112.1857 0.6807 -1035.1222 0.0000 0.0000 2731.6774 6283.8371 301.7214 3552.1597 6315.9071 299.4194 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: 666.413, 0.00394707/step Wall: 666.413, 0.00394707/step, 2.55617 hours remaining, 110.871094 MB of memory in use. ENERGY: 168600 682.0318 1836.1721 2002.7171 105.7354 -0.8722 -1070.3932 0.0000 0.0000 2667.5644 6222.9554 294.6399 3555.3911 6252.3412 298.6661 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: 667.202, 0.00394736/step Wall: 667.202, 0.00394736/step, 2.55613 hours remaining, 110.871094 MB of memory in use. ENERGY: 168800 611.1167 1863.4229 2003.0889 109.6399 -1.2595 -1034.2998 0.0000 0.0000 2695.4429 6247.1519 297.7192 3551.7090 6277.3674 296.4024 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: 667.991, 0.00394487/step Wall: 667.991, 0.00394487/step, 2.5543 hours remaining, 110.871094 MB of memory in use. ENERGY: 169000 655.6835 1876.2814 1986.7521 104.6996 0.7299 -1051.2237 0.0000 0.0000 2714.2034 6287.1261 299.7913 3572.9227 6318.6683 299.3035 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: 668.779, 0.00394125/step Wall: 668.779, 0.00394125/step, 2.55174 hours remaining, 110.871094 MB of memory in use. ENERGY: 169200 637.3644 1870.2288 1985.9953 100.8808 -0.6787 -1103.3168 0.0000 0.0000 2691.9842 6182.4579 297.3371 3490.4738 6216.2217 298.7154 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: 669.569, 0.00394712/step Wall: 669.569, 0.00394712/step, 2.55532 hours remaining, 110.871094 MB of memory in use. ENERGY: 169400 646.2070 1849.2749 2003.7278 111.4473 -0.6593 -1068.5731 0.0000 0.0000 2669.5821 6211.0067 294.8628 3541.4246 6246.4533 296.2167 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: 670.359, 0.00394835/step Wall: 670.359, 0.00394835/step, 2.5559 hours remaining, 110.871094 MB of memory in use. ENERGY: 169600 634.5812 1869.4838 1973.7658 116.2137 0.1414 -1053.5322 0.0000 0.0000 2698.7316 6239.3852 298.0824 3540.6536 6272.9736 297.3275 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: 671.148, 0.00394905/step Wall: 671.148, 0.00394905/step, 2.55613 hours remaining, 110.871094 MB of memory in use. ENERGY: 169800 650.3305 1842.6603 1984.8998 105.1353 -0.5695 -1050.1967 0.0000 0.0000 2723.2075 6255.4672 300.7859 3532.2597 6289.9004 297.8939 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: 671.937, 0.00394135/step Wall: 671.937, 0.00394135/step, 2.55093 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 170000 727.5671 1841.7452 1986.1201 109.4283 -0.9867 -1092.3669 0.0000 0.0000 2669.7813 6241.2885 294.8848 3571.5072 6272.1922 297.9946 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 170000 WRITING COORDINATES TO DCD FILE MD.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: 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: 672.76, 0.00411708/step Wall: 672.76, 0.00411708/step, 2.66444 hours remaining, 110.871094 MB of memory in use. ENERGY: 170200 676.1993 1858.6917 1995.0914 117.7514 1.1968 -1086.3849 0.0000 0.0000 2671.4274 6233.9731 295.0666 3562.5457 6264.5172 297.2375 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: 673.55, 0.00394978/step Wall: 673.55, 0.00394978/step, 2.55595 hours remaining, 110.871094 MB of memory in use. ENERGY: 170400 621.5459 1908.6636 1994.5019 118.1962 0.8230 -1065.7850 0.0000 0.0000 2655.3334 6233.2789 293.2890 3577.9456 6263.5952 298.6513 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: 674.339, 0.00394605/step Wall: 674.339, 0.00394605/step, 2.55332 hours remaining, 110.871094 MB of memory in use. ENERGY: 170600 631.7654 1908.6770 2002.7923 103.2739 -0.2300 -1059.5970 0.0000 0.0000 2670.1113 6256.7929 294.9212 3586.6816 6286.6779 298.3624 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: 675.129, 0.00394801/step Wall: 675.129, 0.00394801/step, 2.55437 hours remaining, 110.871094 MB of memory in use. ENERGY: 170800 655.2148 1808.0431 2006.8512 104.0757 0.0800 -1069.5853 0.0000 0.0000 2747.2752 6251.9546 303.4442 3504.6794 6287.4006 299.6173 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: 675.917, 0.00393957/step Wall: 675.917, 0.00393957/step, 2.54868 hours remaining, 110.871094 MB of memory in use. ENERGY: 171000 623.2858 1831.4705 2018.1378 111.2991 0.6541 -1017.1212 0.0000 0.0000 2670.4165 6238.1426 294.9549 3567.7261 6270.0965 298.7877 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: 676.706, 0.00394742/step Wall: 676.706, 0.00394742/step, 2.55354 hours remaining, 110.871094 MB of memory in use. ENERGY: 171200 660.8105 1848.7424 2008.0098 110.5110 -2.0847 -1068.5334 0.0000 0.0000 2672.8207 6230.2763 295.2205 3557.4555 6259.3568 298.0203 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: 677.496, 0.00394796/step Wall: 677.496, 0.00394796/step, 2.55367 hours remaining, 110.871094 MB of memory in use. ENERGY: 171400 680.8352 1857.0116 2009.9460 102.9095 -1.5347 -1074.1284 0.0000 0.0000 2724.5400 6299.5793 300.9330 3575.0392 6330.0544 299.8306 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: 678.285, 0.00394749/step Wall: 678.285, 0.00394749/step, 2.55315 hours remaining, 110.871094 MB of memory in use. ENERGY: 171600 695.3026 1837.5364 2008.3416 113.2050 -1.8155 -1085.0429 0.0000 0.0000 2780.3455 6347.8728 307.0969 3567.5273 6385.2229 301.7063 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: 679.075, 0.00395002/step Wall: 679.075, 0.00395002/step, 2.55457 hours remaining, 110.871094 MB of memory in use. ENERGY: 171800 644.7775 1896.4092 1973.9949 111.4990 -0.2401 -1059.6621 0.0000 0.0000 2786.2210 6352.9995 307.7459 3566.7785 6385.4321 304.5946 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: 679.864, 0.00394181/step Wall: 679.864, 0.00394181/step, 2.54903 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 172000 688.8061 1863.2435 2000.4214 109.3958 -1.2889 -1059.6455 0.0000 0.0000 2738.4980 6339.4304 302.4747 3600.9324 6370.8343 304.8773 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: 680.653, 0.003948/step Wall: 680.653, 0.003948/step, 2.55282 hours remaining, 110.871094 MB of memory in use. ENERGY: 172200 668.5111 1791.2555 1997.8181 108.0873 -0.7184 -1019.2872 0.0000 0.0000 2757.7388 6303.4052 304.5999 3545.6665 6336.5741 302.2207 LDB: ============= START OF LOAD BALANCING ============== 683.614 LDB: ============== END OF LOAD BALANCING =============== 683.614 LDB: =============== DONE WITH MIGRATION ================ 683.614 LDB: ============= START OF LOAD BALANCING ============== 684.009 LDB: ============== END OF LOAD BALANCING =============== 684.009 LDB: =============== DONE WITH MIGRATION ================ 684.009 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: 681.444, 0.00395488/step Wall: 681.444, 0.00395488/step, 2.55705 hours remaining, 110.871094 MB of memory in use. ENERGY: 172400 692.6797 1834.0302 2016.2357 104.2109 -1.1303 -1079.3371 0.0000 0.0000 2700.2230 6266.9122 298.2471 3566.6892 6299.4006 301.8154 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: 682.234, 0.00394828/step Wall: 682.234, 0.00394828/step, 2.55257 hours remaining, 110.871094 MB of memory in use. ENERGY: 172600 640.2416 1841.7222 2012.0035 102.3046 -0.7206 -1079.4896 0.0000 0.0000 2762.9439 6279.0055 305.1749 3516.0616 6312.2787 300.6096 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: 683.024, 0.00394912/step Wall: 683.024, 0.00394912/step, 2.55289 hours remaining, 110.871094 MB of memory in use. ENERGY: 172800 658.4372 1861.3326 1990.8685 104.8836 1.0957 -1056.3235 0.0000 0.0000 2739.7869 6300.0810 302.6171 3560.2941 6335.6137 300.9171 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: 683.812, 0.00394291/step Wall: 683.812, 0.00394291/step, 2.54865 hours remaining, 110.871094 MB of memory in use. ENERGY: 173000 698.8465 1851.0369 2005.9630 92.2158 0.5712 -1047.0551 0.0000 0.0000 2711.1114 6312.6896 299.4498 3601.5782 6342.1459 301.1802 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: 684.602, 0.00394796/step Wall: 684.602, 0.00394795/step, 2.55169 hours remaining, 110.871094 MB of memory in use. ENERGY: 173200 648.6053 1891.6515 1983.9030 118.3083 1.1877 -1057.5084 0.0000 0.0000 2684.4473 6270.5947 296.5047 3586.1474 6302.0108 299.0753 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: 685.391, 0.0039478/step Wall: 685.391, 0.00394781/step, 2.55138 hours remaining, 110.871094 MB of memory in use. ENERGY: 173400 632.0816 1887.4422 2001.1322 122.9846 -0.4399 -1036.2334 0.0000 0.0000 2709.2825 6316.2497 299.2478 3606.9673 6345.2689 299.9660 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: 686.181, 0.00394734/step Wall: 686.181, 0.00394734/step, 2.55086 hours remaining, 110.871094 MB of memory in use. ENERGY: 173600 670.4748 1838.0285 1995.2513 118.9182 -1.4542 -1031.0965 0.0000 0.0000 2740.5113 6330.6335 302.6971 3590.1222 6364.8446 302.3230 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: 686.97, 0.00394318/step Wall: 686.97, 0.00394318/step, 2.54795 hours remaining, 110.871094 MB of memory in use. ENERGY: 173800 669.7372 1869.1995 1982.6870 122.2380 1.1390 -1033.2008 0.0000 0.0000 2698.0901 6309.8901 298.0116 3611.8000 6343.6558 302.0700 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: 687.759, 0.00394536/step Wall: 687.759, 0.00394536/step, 2.54914 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 174000 698.1564 1850.3400 1985.1087 102.0064 -0.0718 -1026.6863 0.0000 0.0000 2705.3027 6314.1559 298.8082 3608.8533 6345.3710 301.7263 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: 688.548, 0.00394753/step Wall: 688.548, 0.00394753/step, 2.55033 hours remaining, 110.871094 MB of memory in use. ENERGY: 174200 643.3007 1855.6824 1982.0619 98.6902 0.5201 -1034.9939 0.0000 0.0000 2780.3541 6325.6155 307.0979 3545.2614 6361.3007 303.1907 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: 689.338, 0.00394883/step Wall: 689.338, 0.00394883/step, 2.55094 hours remaining, 110.871094 MB of memory in use. ENERGY: 174400 659.5942 1887.7061 1994.2295 109.6201 -0.1786 -1045.3836 0.0000 0.0000 2709.2816 6314.8694 299.2477 3605.5878 6347.2273 303.2022 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: 690.127, 0.00394634/step Wall: 690.127, 0.00394634/step, 2.54911 hours remaining, 110.871094 MB of memory in use. ENERGY: 174600 636.0101 1848.5577 2005.2321 114.3847 0.3361 -1023.5090 0.0000 0.0000 2728.1700 6309.1815 301.3340 3581.0115 6342.4518 300.6324 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: 690.915, 0.0039415/step Wall: 690.915, 0.00394149/step, 2.54577 hours remaining, 110.871094 MB of memory in use. ENERGY: 174800 646.3206 1817.7736 2000.2813 104.4337 -0.5653 -1027.7366 0.0000 0.0000 2762.4818 6302.9890 305.1238 3540.5072 6336.0426 300.6780 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: 691.706, 0.00395042/step Wall: 691.706, 0.00395042/step, 2.55131 hours remaining, 110.871094 MB of memory in use. ENERGY: 175000 676.8937 1873.8735 2009.4631 91.7126 -0.4094 -1064.6289 0.0000 0.0000 2721.5124 6308.4171 300.5986 3586.9046 6342.2007 299.9730 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: 692.495, 0.00394717/step Wall: 692.495, 0.00394717/step, 2.54899 hours remaining, 110.871094 MB of memory in use. ENERGY: 175200 672.3929 1892.3396 1996.4761 119.0142 -0.3700 -1084.2411 0.0000 0.0000 2741.9198 6337.5314 302.8527 3595.6116 6370.2993 303.6445 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: 693.285, 0.00394804/step Wall: 693.285, 0.00394804/step, 2.54934 hours remaining, 110.871094 MB of memory in use. ENERGY: 175400 653.3562 1848.4600 1997.9643 101.1243 -0.7983 -1053.4835 0.0000 0.0000 2771.0795 6317.7024 306.0734 3546.6230 6354.1730 301.3393 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: 694.074, 0.00394687/step Wall: 694.074, 0.00394687/step, 2.54836 hours remaining, 110.871094 MB of memory in use. ENERGY: 175600 660.7778 1882.1188 2015.8682 101.7672 -1.3441 -1077.8324 0.0000 0.0000 2696.5865 6277.9419 297.8455 3581.3554 6310.1848 301.2064 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: 694.862, 0.00394053/step Wall: 694.862, 0.00394053/step, 2.54405 hours remaining, 110.871094 MB of memory in use. ENERGY: 175800 654.8663 1846.5754 1993.6165 109.2946 -0.1364 -1053.1124 0.0000 0.0000 2734.1306 6285.2345 301.9923 3551.1039 6318.5668 299.7916 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: 695.652, 0.00394805/step Wall: 695.652, 0.00394805/step, 2.54869 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 176000 679.0319 1824.1447 2000.8514 105.3722 -0.0812 -1089.6708 0.0000 0.0000 2712.1305 6231.7787 299.5624 3519.6482 6262.7801 300.1797 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: 696.441, 0.00394789/step Wall: 696.441, 0.00394789/step, 2.54836 hours remaining, 110.871094 MB of memory in use. ENERGY: 176200 657.1248 1901.8944 2008.1534 112.6769 0.7290 -1075.7506 0.0000 0.0000 2663.7725 6268.6003 294.2211 3604.8279 6299.9131 299.9780 LDB: ============= START OF LOAD BALANCING ============== 699.4 LDB: ============== END OF LOAD BALANCING =============== 699.4 LDB: =============== DONE WITH MIGRATION ================ 699.4 LDB: ============= START OF LOAD BALANCING ============== 699.796 LDB: ============== END OF LOAD BALANCING =============== 699.796 LDB: =============== DONE WITH MIGRATION ================ 699.796 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: 697.232, 0.00395365/step Wall: 697.232, 0.00395365/step, 2.55186 hours remaining, 110.871094 MB of memory in use. ENERGY: 176400 624.0291 1851.0089 1996.1970 105.3460 -1.5471 -1035.6036 0.0000 0.0000 2704.4513 6243.8816 298.7142 3539.4303 6279.0811 299.3903 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: 698.023, 0.00395612/step Wall: 698.023, 0.00395612/step, 2.55323 hours remaining, 110.871094 MB of memory in use. ENERGY: 176600 658.9016 1887.6800 2003.0681 110.9569 -1.7474 -1055.3498 0.0000 0.0000 2658.1974 6261.7068 293.6053 3603.5094 6290.9614 300.0330 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: 698.811, 0.00394102/step Wall: 698.811, 0.00394102/step, 2.54327 hours remaining, 110.871094 MB of memory in use. ENERGY: 176800 675.5946 1835.4484 1979.0381 118.7776 -0.5205 -1054.8875 0.0000 0.0000 2733.0322 6286.4830 301.8710 3553.4507 6317.5439 300.7175 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: 699.601, 0.00395015/step Wall: 699.601, 0.00395015/step, 2.54894 hours remaining, 110.871094 MB of memory in use. ENERGY: 177000 671.9720 1857.5031 1968.4903 114.4987 -0.5369 -1051.0150 0.0000 0.0000 2674.3120 6235.2241 295.3852 3560.9121 6265.8344 300.6830 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: 700.393, 0.00396006/step Wall: 700.393, 0.00396006/step, 2.55512 hours remaining, 110.871094 MB of memory in use. ENERGY: 177200 692.5674 1858.3545 1979.8091 102.2841 -0.5449 -1073.7212 0.0000 0.0000 2682.0805 6240.8295 296.2433 3558.7490 6273.8463 299.9872 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: 701.184, 0.00395488/step Wall: 701.184, 0.00395488/step, 2.55155 hours remaining, 110.871094 MB of memory in use. ENERGY: 177400 651.3303 1875.8779 2001.8156 114.2112 -0.6503 -1055.4109 0.0000 0.0000 2674.6085 6261.7824 295.4180 3587.1739 6293.5726 299.0961 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: 701.973, 0.00394373/step Wall: 701.973, 0.00394373/step, 2.54414 hours remaining, 110.871094 MB of memory in use. ENERGY: 177600 640.7230 1866.2984 2023.3755 104.0491 -1.2216 -1066.5086 0.0000 0.0000 2692.3359 6259.0518 297.3760 3566.7158 6289.6099 299.7545 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: 702.764, 0.00395344/step Wall: 702.764, 0.00395344/step, 2.55019 hours remaining, 110.871094 MB of memory in use. ENERGY: 177800 656.8542 1886.4568 2021.6561 110.1217 -2.3277 -1048.6797 0.0000 0.0000 2711.4277 6335.5091 299.4847 3624.0814 6368.8283 301.5586 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: 703.554, 0.0039505/step Wall: 703.554, 0.0039505/step, 2.54807 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 178000 693.2686 1842.9865 1976.2133 104.4832 -0.5682 -1016.3421 0.0000 0.0000 2708.9226 6308.9638 299.2081 3600.0411 6339.8203 302.0744 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: 704.344, 0.00394909/step Wall: 704.344, 0.00394909/step, 2.54694 hours remaining, 110.871094 MB of memory in use. ENERGY: 178200 688.3694 1829.6809 1998.5596 99.5499 -1.3511 -1033.8197 0.0000 0.0000 2714.6392 6295.6282 299.8395 3580.9889 6328.9758 300.7660 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: 705.134, 0.0039499/step Wall: 705.134, 0.0039499/step, 2.54725 hours remaining, 110.871094 MB of memory in use. ENERGY: 178400 642.0215 1915.3579 1971.6047 99.4393 -0.2390 -1040.1332 0.0000 0.0000 2720.9246 6308.9759 300.5337 3588.0513 6338.8552 301.7409 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: 705.922, 0.00394194/step Wall: 705.922, 0.00394194/step, 2.5419 hours remaining, 110.871094 MB of memory in use. ENERGY: 178600 647.2211 1874.2651 1976.4393 98.2652 -2.2161 -1059.6989 0.0000 0.0000 2770.2523 6304.5279 305.9821 3534.2757 6338.6971 301.8967 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: 706.712, 0.00394935/step Wall: 706.712, 0.00394935/step, 2.54646 hours remaining, 110.871094 MB of memory in use. ENERGY: 178800 657.2185 1867.0696 1971.9796 110.8971 -0.6658 -1020.9125 0.0000 0.0000 2750.7595 6336.3459 303.8290 3585.5864 6367.6684 301.7950 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: 707.502, 0.00395026/step Wall: 707.502, 0.00395026/step, 2.54682 hours remaining, 110.871094 MB of memory in use. ENERGY: 179000 685.6752 1801.8015 2002.1543 114.1568 -1.7528 -1053.4153 0.0000 0.0000 2729.5791 6278.1989 301.4896 3548.6198 6311.2763 301.5292 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: 708.292, 0.00395/step Wall: 708.292, 0.00395/step, 2.54643 hours remaining, 110.871094 MB of memory in use. ENERGY: 179200 668.2813 1793.8576 1998.4180 122.5085 -0.7048 -1061.1237 0.0000 0.0000 2743.1578 6264.3946 302.9894 3521.2368 6298.6505 301.2146 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: 709.083, 0.00395319/step Wall: 709.083, 0.00395319/step, 2.54827 hours remaining, 110.871094 MB of memory in use. ENERGY: 179400 685.4226 1846.3233 2004.1907 116.7095 0.3705 -1060.7818 0.0000 0.0000 2742.1665 6334.4013 302.8799 3592.2348 6368.2371 300.5659 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: 709.871, 0.00394267/step Wall: 709.871, 0.00394267/step, 2.54127 hours remaining, 110.871094 MB of memory in use. ENERGY: 179600 675.4623 1790.8857 2018.9588 113.0814 -1.3638 -1035.0438 0.0000 0.0000 2763.1222 6325.1026 305.1945 3561.9805 6358.0342 304.4172 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: 710.661, 0.00394925/step Wall: 710.661, 0.00394925/step, 2.54529 hours remaining, 110.871094 MB of memory in use. ENERGY: 179800 630.9599 1868.5417 2015.7992 118.6682 -1.4019 -1035.1169 0.0000 0.0000 2745.8975 6343.3478 303.2920 3597.4502 6378.5377 303.3708 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: 711.452, 0.00395358/step Wall: 711.452, 0.00395357/step, 2.54786 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 180000 672.1556 1899.0489 2010.1578 105.2063 -1.2497 -1075.7795 0.0000 0.0000 2714.4163 6323.9556 299.8148 3609.5394 6358.7660 302.8699 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 180000 WRITING COORDINATES TO DCD FILE MD.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: 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: 712.292, 0.00420005/step Wall: 712.292, 0.00420005/step, 2.70647 hours remaining, 110.871094 MB of memory in use. ENERGY: 180200 657.0947 1866.6895 1986.6592 95.0000 0.3297 -1069.5525 0.0000 0.0000 2728.1534 6264.3739 301.3321 3536.2205 6297.5487 302.0338 LDB: ============= START OF LOAD BALANCING ============== 715.251 LDB: ============== END OF LOAD BALANCING =============== 715.251 LDB: =============== DONE WITH MIGRATION ================ 715.251 LDB: ============= START OF LOAD BALANCING ============== 715.647 LDB: ============== END OF LOAD BALANCING =============== 715.647 LDB: =============== DONE WITH MIGRATION ================ 715.647 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: 713.083, 0.0039561/step Wall: 713.083, 0.0039561/step, 2.54904 hours remaining, 110.871094 MB of memory in use. ENERGY: 180400 700.1428 1823.2690 1955.1327 110.1491 -1.0932 -1106.6270 0.0000 0.0000 2761.1550 6242.1283 304.9773 3480.9733 6276.0722 300.8836 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: 713.872, 0.00394335/step Wall: 713.872, 0.00394335/step, 2.54061 hours remaining, 110.871094 MB of memory in use. ENERGY: 180600 676.8487 1816.7820 1981.4412 104.6275 -0.8594 -1071.1619 0.0000 0.0000 2729.6436 6237.3217 301.4967 3507.6781 6272.3569 300.2284 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: 714.662, 0.00395047/step Wall: 714.662, 0.00395047/step, 2.54498 hours remaining, 110.871094 MB of memory in use. ENERGY: 180800 683.3289 1835.6451 1968.9783 96.9211 -1.3449 -1086.2119 0.0000 0.0000 2762.7785 6260.0950 305.1566 3497.3166 6294.8551 300.5364 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: 715.452, 0.00395053/step Wall: 715.452, 0.00395053/step, 2.5448 hours remaining, 110.871094 MB of memory in use. ENERGY: 181000 629.5363 1892.0877 1998.7833 115.5043 -1.3886 -1054.9701 0.0000 0.0000 2698.6367 6278.1896 298.0719 3579.5529 6310.4995 299.9090 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: 716.242, 0.0039513/step Wall: 716.242, 0.0039513/step, 2.54507 hours remaining, 110.871094 MB of memory in use. ENERGY: 181200 650.2944 1881.9651 2011.8954 100.2194 -0.8002 -1087.8379 0.0000 0.0000 2701.5686 6257.3046 298.3958 3555.7361 6288.0525 301.6814 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: 717.032, 0.00394696/step Wall: 717.032, 0.00394696/step, 2.54206 hours remaining, 110.871094 MB of memory in use. ENERGY: 181400 618.2199 1902.2794 1991.9034 111.2946 -0.9232 -1087.3669 0.0000 0.0000 2685.0666 6220.4738 296.5731 3535.4072 6252.0956 297.5237 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: 717.821, 0.00394503/step Wall: 717.821, 0.00394503/step, 2.5406 hours remaining, 110.871094 MB of memory in use. ENERGY: 181600 681.9296 1849.5147 1975.9033 108.2494 -0.2543 -1044.9029 0.0000 0.0000 2696.0577 6266.4974 297.7871 3570.4397 6298.2062 298.0836 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: 718.61, 0.00394941/step Wall: 718.61, 0.00394941/step, 2.5432 hours remaining, 110.871094 MB of memory in use. ENERGY: 181800 629.9445 1850.3235 1978.8307 95.4405 -0.6043 -1055.3940 0.0000 0.0000 2704.6782 6203.2191 298.7392 3498.5409 6237.0264 298.3030 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: 719.401, 0.00395114/step Wall: 719.401, 0.00395114/step, 2.54409 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 182000 665.2275 1877.5323 2034.3362 124.2543 -0.7703 -1116.6147 0.0000 0.0000 2662.2514 6246.2166 294.0531 3583.9652 6277.9891 299.3411 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: 720.191, 0.00395051/step Wall: 720.191, 0.00395051/step, 2.54347 hours remaining, 110.871094 MB of memory in use. ENERGY: 182200 686.0793 1832.8977 2015.1158 104.6583 0.5549 -1096.9371 0.0000 0.0000 2669.0901 6211.4590 294.8084 3542.3689 6246.2851 297.3950 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: 720.979, 0.00394296/step Wall: 720.979, 0.00394296/step, 2.53839 hours remaining, 110.871094 MB of memory in use. ENERGY: 182400 655.0029 1829.3580 1999.4296 107.8614 1.2148 -1073.8516 0.0000 0.0000 2752.7834 6271.7986 304.0526 3519.0152 6306.3213 298.5706 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: 721.77, 0.00395172/step Wall: 721.77, 0.00395172/step, 2.54381 hours remaining, 110.871094 MB of memory in use. ENERGY: 182600 651.7119 1868.9467 1987.1878 107.7591 -0.8835 -1053.9431 0.0000 0.0000 2746.0633 6306.8421 303.3103 3560.7788 6340.1560 300.3784 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: 722.56, 0.00395177/step Wall: 722.56, 0.00395177/step, 2.54362 hours remaining, 110.871094 MB of memory in use. ENERGY: 182800 627.8499 1922.8507 1999.6859 104.9876 -0.8239 -1062.2790 0.0000 0.0000 2758.5701 6350.8412 304.6918 3592.2711 6383.5253 303.0701 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: 723.35, 0.00395159/step Wall: 723.35, 0.00395159/step, 2.54329 hours remaining, 110.871094 MB of memory in use. ENERGY: 183000 661.4939 1850.5536 1994.6827 116.1682 -0.1808 -1053.4620 0.0000 0.0000 2778.1674 6347.4230 306.8563 3569.2556 6384.2070 303.6261 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: 724.141, 0.0039531/step Wall: 724.141, 0.0039531/step, 2.54404 hours remaining, 110.871094 MB of memory in use. ENERGY: 183200 668.5676 1864.0649 1976.0899 108.6833 -0.9160 -1062.4201 0.0000 0.0000 2744.7204 6298.7899 303.1620 3554.0695 6329.9112 301.9268 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: 724.93, 0.00394518/step Wall: 724.93, 0.00394518/step, 2.53872 hours remaining, 110.871094 MB of memory in use. ENERGY: 183400 623.9376 1839.6639 1974.9291 110.0508 -0.1044 -1015.6200 0.0000 0.0000 2796.5179 6329.3748 308.8832 3532.8570 6365.1007 303.4598 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: 725.721, 0.00395268/step Wall: 725.721, 0.00395268/step, 2.54333 hours remaining, 110.871094 MB of memory in use. ENERGY: 183600 686.8934 1934.3961 1987.5606 92.8494 1.2538 -1070.9572 0.0000 0.0000 2676.3961 6308.3921 295.6154 3631.9960 6340.0085 303.1781 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: 726.511, 0.0039537/step Wall: 726.511, 0.0039537/step, 2.54376 hours remaining, 110.871094 MB of memory in use. ENERGY: 183800 657.0269 1894.5295 1992.1208 119.0419 0.1882 -1081.0867 0.0000 0.0000 2770.7499 6352.5706 306.0370 3581.8207 6385.1225 304.3564 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: 727.302, 0.00395237/step Wall: 727.302, 0.00395237/step, 2.54269 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 184000 626.5045 1833.9368 2003.9745 117.3310 1.4729 -1062.2315 0.0000 0.0000 2785.6324 6306.6206 307.6809 3520.9882 6342.4198 301.4665 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: 728.092, 0.00395113/step Wall: 728.092, 0.00395113/step, 2.54167 hours remaining, 110.871094 MB of memory in use. ENERGY: 184200 656.4854 1922.8213 2003.5078 102.6930 1.2180 -1075.8338 0.0000 0.0000 2751.0825 6361.9741 303.8647 3610.8916 6395.8732 303.9321 LDB: ============= START OF LOAD BALANCING ============== 731.051 LDB: ============== END OF LOAD BALANCING =============== 731.051 LDB: =============== DONE WITH MIGRATION ================ 731.051 LDB: ============= START OF LOAD BALANCING ============== 731.446 LDB: ============== END OF LOAD BALANCING =============== 731.446 LDB: =============== DONE WITH MIGRATION ================ 731.446 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: 728.881, 0.00394604/step Wall: 728.881, 0.00394604/step, 2.53818 hours remaining, 110.871094 MB of memory in use. ENERGY: 184400 637.3020 1921.6868 2002.2420 117.5951 -0.1697 -1096.0296 0.0000 0.0000 2789.5212 6372.1477 308.1104 3582.6265 6406.4501 306.1324 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: 729.671, 0.00395059/step Wall: 729.671, 0.00395059/step, 2.54089 hours remaining, 110.871094 MB of memory in use. ENERGY: 184600 692.1216 1892.6343 2026.4878 103.0175 0.3344 -1056.9423 0.0000 0.0000 2718.0187 6375.6719 300.2127 3657.6532 6407.6786 305.0862 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: 730.462, 0.0039516/step Wall: 730.462, 0.0039516/step, 2.54132 hours remaining, 110.871094 MB of memory in use. ENERGY: 184800 670.2601 1817.3798 2001.7568 116.2080 -0.6428 -1068.2192 0.0000 0.0000 2814.8521 6351.5947 310.9083 3536.7426 6386.7756 304.9231 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: 731.252, 0.00395314/step Wall: 731.252, 0.00395314/step, 2.54209 hours remaining, 110.871094 MB of memory in use. ENERGY: 185000 649.7184 1907.4934 1994.2117 109.5849 -0.1377 -1079.6930 0.0000 0.0000 2787.6972 6368.8750 307.9089 3581.1778 6404.3421 305.1884 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: 732.041, 0.0039432/step Wall: 732.041, 0.0039432/step, 2.53548 hours remaining, 110.871094 MB of memory in use. ENERGY: 185200 654.7574 1915.6499 2012.3982 106.4577 0.3996 -1083.6081 0.0000 0.0000 2747.7136 6353.7683 303.4926 3606.0547 6386.6274 304.4504 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: 732.831, 0.00394872/step Wall: 732.831, 0.00394872/step, 2.53881 hours remaining, 110.871094 MB of memory in use. ENERGY: 185400 698.7370 1885.5889 2030.1519 119.4501 1.6506 -1078.8888 0.0000 0.0000 2677.6563 6334.3460 295.7546 3656.6897 6364.8603 302.3748 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: 733.621, 0.00395166/step Wall: 733.621, 0.00395166/step, 2.54048 hours remaining, 110.871094 MB of memory in use. ENERGY: 185600 660.8879 1879.3067 2010.3402 105.5665 1.0513 -1059.1256 0.0000 0.0000 2732.1213 6330.1482 301.7704 3598.0270 6365.0073 303.9897 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: 734.411, 0.00395126/step Wall: 734.411, 0.00395126/step, 2.54 hours remaining, 110.871094 MB of memory in use. ENERGY: 185800 643.2341 1919.3481 2020.2188 102.5927 0.1655 -1048.1716 0.0000 0.0000 2771.8791 6409.2668 306.1618 3637.3876 6441.5690 305.5366 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: 735.202, 0.00395218/step Wall: 735.202, 0.00395218/step, 2.54037 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 186000 667.0898 1862.7524 2041.8851 114.0874 0.0031 -1048.7086 0.0000 0.0000 2765.6582 6402.7674 305.4747 3637.1092 6434.0414 306.3569 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: 735.991, 0.00394518/step Wall: 735.991, 0.00394518/step, 2.53566 hours remaining, 110.871094 MB of memory in use. ENERGY: 186200 663.5665 1826.5039 2013.7285 117.4688 0.4328 -1049.4377 0.0000 0.0000 2737.1057 6309.3685 302.3209 3572.2628 6341.1823 305.2867 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: 736.781, 0.00395288/step Wall: 736.781, 0.00395288/step, 2.54038 hours remaining, 110.871094 MB of memory in use. ENERGY: 186400 643.2320 1852.4739 1967.2621 99.9759 -0.4636 -1063.8590 0.0000 0.0000 2772.4404 6271.0616 306.2238 3498.6213 6304.7595 300.7717 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: 737.572, 0.0039533/step Wall: 737.572, 0.0039533/step, 2.54043 hours remaining, 110.871094 MB of memory in use. ENERGY: 186600 670.5488 1874.9370 1987.6564 108.2642 -0.9979 -1074.7189 0.0000 0.0000 2691.0228 6256.7124 297.2310 3565.6896 6289.8348 300.4540 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: 738.364, 0.00395846/step Wall: 738.364, 0.00395846/step, 2.54353 hours remaining, 110.871094 MB of memory in use. ENERGY: 186800 635.5591 1874.6842 2034.4609 108.3053 -1.6461 -1099.5466 0.0000 0.0000 2762.7208 6314.5378 305.1502 3551.8169 6347.2484 299.6180 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: 739.154, 0.00395205/step Wall: 739.154, 0.00395205/step, 2.53919 hours remaining, 110.871094 MB of memory in use. ENERGY: 187000 664.1381 1890.0199 1984.3880 104.6666 0.0566 -1085.0584 0.0000 0.0000 2714.3826 6272.5934 299.8111 3558.2109 6306.5696 301.9553 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: 739.943, 0.00394478/step Wall: 739.943, 0.00394478/step, 2.5343 hours remaining, 110.871094 MB of memory in use. ENERGY: 187200 660.5366 1827.5716 2023.9610 105.8690 -1.6465 -1087.6085 0.0000 0.0000 2735.0704 6263.7536 302.0961 3528.6832 6297.1747 300.3736 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: 740.734, 0.00395236/step Wall: 740.734, 0.00395236/step, 2.53895 hours remaining, 110.871094 MB of memory in use. ENERGY: 187400 640.9939 1874.6432 2022.9126 114.5072 -1.2381 -1069.0349 0.0000 0.0000 2706.4293 6289.2131 298.9327 3582.7838 6320.0403 301.0102 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: 741.524, 0.00395134/step Wall: 741.524, 0.00395134/step, 2.53808 hours remaining, 110.871094 MB of memory in use. ENERGY: 187600 631.6791 1838.1369 2021.2757 95.6547 0.1846 -1100.1611 0.0000 0.0000 2770.4796 6257.2496 306.0072 3486.7700 6293.4730 300.7937 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: 742.314, 0.00395244/step Wall: 742.314, 0.00395244/step, 2.53856 hours remaining, 110.871094 MB of memory in use. ENERGY: 187800 647.8419 1871.4495 1994.5123 106.5618 1.2117 -1105.2825 0.0000 0.0000 2730.7654 6247.0601 301.6206 3516.2947 6281.9928 299.1940 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: 743.105, 0.00395301/step Wall: 743.105, 0.00395301/step, 2.53871 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 188000 622.3204 1853.1250 2036.4338 106.2132 1.4152 -1090.9995 0.0000 0.0000 2699.1772 6227.6853 298.1316 3528.5081 6262.0290 299.8746 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: 743.894, 0.00394457/step Wall: 743.894, 0.00394457/step, 2.53307 hours remaining, 110.871094 MB of memory in use. ENERGY: 188200 674.8577 1881.4239 1991.3261 94.7360 0.2096 -1096.7826 0.0000 0.0000 2726.7143 6272.4849 301.1732 3545.7706 6302.6876 299.6666 LDB: ============= START OF LOAD BALANCING ============== 746.854 LDB: ============== END OF LOAD BALANCING =============== 746.854 LDB: =============== DONE WITH MIGRATION ================ 746.854 LDB: ============= START OF LOAD BALANCING ============== 747.25 LDB: ============== END OF LOAD BALANCING =============== 747.25 LDB: =============== DONE WITH MIGRATION ================ 747.25 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: 744.685, 0.00395737/step Wall: 744.685, 0.00395737/step, 2.54107 hours remaining, 110.871094 MB of memory in use. ENERGY: 188400 623.0092 1845.8215 1985.9092 108.3064 0.4698 -1036.7612 0.0000 0.0000 2713.5105 6240.2654 299.7148 3526.7549 6273.4210 300.0847 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: 745.476, 0.00395136/step Wall: 745.476, 0.00395136/step, 2.53699 hours remaining, 110.871094 MB of memory in use. ENERGY: 188600 682.8023 1836.0354 1997.8578 104.8253 -1.4251 -1088.9392 0.0000 0.0000 2720.2758 6251.4323 300.4620 3531.1565 6282.8855 299.8139 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: 746.266, 0.00395157/step Wall: 746.266, 0.00395157/step, 2.5369 hours remaining, 110.871094 MB of memory in use. ENERGY: 188800 643.6576 1839.4939 1985.9735 104.4760 0.2200 -1051.6985 0.0000 0.0000 2768.3967 6290.5193 305.7771 3522.1226 6324.5102 299.5458 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: 747.055, 0.0039441/step Wall: 747.055, 0.0039441/step, 2.5319 hours remaining, 110.871094 MB of memory in use. ENERGY: 189000 669.4215 1829.7165 1993.4030 112.3626 -0.9380 -1021.9287 0.0000 0.0000 2731.8464 6313.8833 301.7400 3582.0369 6348.7485 302.3848 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: 747.845, 0.00394915/step Wall: 747.845, 0.00394915/step, 2.53492 hours remaining, 110.871094 MB of memory in use. ENERGY: 189200 619.5657 1894.1586 1985.2906 115.8828 -0.0796 -1021.4145 0.0000 0.0000 2742.0667 6335.4704 302.8689 3593.4036 6368.7636 304.1426 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: 748.635, 0.0039507/step Wall: 748.635, 0.0039507/step, 2.53569 hours remaining, 110.871094 MB of memory in use. ENERGY: 189400 642.2971 1856.6276 2003.5677 110.7133 -0.8047 -1027.9129 0.0000 0.0000 2740.1718 6324.6599 302.6596 3584.4881 6358.5111 303.7183 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: 749.425, 0.00395182/step Wall: 749.425, 0.00395182/step, 2.53619 hours remaining, 110.871094 MB of memory in use. ENERGY: 189600 653.3452 1888.7614 1980.3924 113.2213 -1.8769 -1045.5761 0.0000 0.0000 2755.3371 6343.6044 304.3347 3588.2673 6377.2174 302.4878 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: 750.215, 0.00395052/step Wall: 750.215, 0.00395052/step, 2.53514 hours remaining, 110.871094 MB of memory in use. ENERGY: 189800 646.6346 1868.4132 1982.1784 107.3078 -1.1742 -1017.1266 0.0000 0.0000 2691.7665 6277.9998 297.3131 3586.2332 6310.9424 300.6192 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: 751.004, 0.00394572/step Wall: 751.004, 0.00394572/step, 2.53184 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 190000 634.8298 1830.9102 1982.7689 118.5147 -1.0383 -1051.8369 0.0000 0.0000 2789.5301 6303.6786 308.1114 3514.1485 6336.9748 300.0237 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 190000 WRITING COORDINATES TO DCD FILE MD.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: 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: 751.831, 0.00413137/step Wall: 751.831, 0.00413137/step, 2.65073 hours remaining, 110.871094 MB of memory in use. ENERGY: 190200 660.6168 1897.0829 2004.8912 105.2656 -1.6845 -1059.1981 0.0000 0.0000 2699.5274 6306.5012 298.1703 3606.9738 6337.3310 301.7691 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: 752.621, 0.00395241/step Wall: 752.621, 0.00395241/step, 2.53569 hours remaining, 110.871094 MB of memory in use. ENERGY: 190400 646.9395 1836.3475 1990.0605 98.5920 -0.3286 -1043.2231 0.0000 0.0000 2735.9490 6264.3368 302.1932 3528.3878 6297.5711 299.7111 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: 753.411, 0.00395151/step Wall: 753.411, 0.0039515/step, 2.53489 hours remaining, 110.871094 MB of memory in use. ENERGY: 190600 664.5521 1849.3776 1986.7741 108.3897 -1.5333 -1066.5212 0.0000 0.0000 2755.6058 6296.6449 304.3643 3541.0391 6332.1361 301.7811 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: 754.202, 0.00395251/step Wall: 754.202, 0.00395251/step, 2.53532 hours remaining, 110.871094 MB of memory in use. ENERGY: 190800 665.8240 1844.6950 1987.8135 110.7574 -2.5132 -1040.9407 0.0000 0.0000 2730.6653 6296.3012 301.6096 3565.6359 6328.7653 303.5750 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: 754.991, 0.0039444/step Wall: 754.991, 0.0039444/step, 2.52989 hours remaining, 110.871094 MB of memory in use. ENERGY: 191000 686.0045 1839.3409 2003.7250 103.2999 -1.9914 -1002.8684 0.0000 0.0000 2704.0286 6331.5390 298.6675 3627.5105 6367.2376 300.8647 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: 755.781, 0.00395364/step Wall: 755.781, 0.00395364/step, 2.5356 hours remaining, 110.871094 MB of memory in use. ENERGY: 191200 659.2848 1839.0681 1977.3583 105.1503 -1.0502 -1046.6174 0.0000 0.0000 2800.4941 6333.6880 309.3224 3533.1939 6368.9703 303.1450 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: 756.572, 0.00395336/step Wall: 756.572, 0.00395336/step, 2.5352 hours remaining, 110.871094 MB of memory in use. ENERGY: 191400 684.1559 1925.4659 1991.1227 106.7800 -2.1156 -1086.0837 0.0000 0.0000 2724.3730 6343.6982 300.9146 3619.3252 6376.8441 304.1116 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: 757.363, 0.00395445/step Wall: 757.363, 0.00395445/step, 2.53568 hours remaining, 110.871094 MB of memory in use. ENERGY: 191600 655.5516 1817.5023 2021.1535 115.7885 -2.1345 -1077.6684 0.0000 0.0000 2766.4885 6296.6813 305.5664 3530.1928 6331.8854 304.3685 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: 758.154, 0.00395281/step Wall: 758.154, 0.00395281/step, 2.53441 hours remaining, 110.871094 MB of memory in use. ENERGY: 191800 697.5005 1859.6048 2001.1457 107.2272 -1.3908 -1088.0490 0.0000 0.0000 2713.2059 6289.2442 299.6811 3576.0384 6322.1640 303.1316 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: 758.943, 0.00394553/step Wall: 758.943, 0.00394553/step, 2.52952 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 192000 668.3460 1886.9490 2019.7949 112.9514 -0.3383 -1085.3781 0.0000 0.0000 2707.8515 6310.1764 299.0897 3602.3249 6342.2924 302.0078 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: 759.734, 0.00395473/step Wall: 759.734, 0.00395473/step, 2.5352 hours remaining, 110.871094 MB of memory in use. ENERGY: 192200 682.6927 1848.9346 1993.1622 108.2688 -0.5755 -1076.3784 0.0000 0.0000 2753.7205 6309.8249 304.1561 3556.1044 6341.6857 300.9418 LDB: ============= START OF LOAD BALANCING ============== 762.697 LDB: ============== END OF LOAD BALANCING =============== 762.697 LDB: =============== DONE WITH MIGRATION ================ 762.697 LDB: ============= START OF LOAD BALANCING ============== 763.093 LDB: ============== END OF LOAD BALANCING =============== 763.093 LDB: =============== DONE WITH MIGRATION ================ 763.093 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: 760.529, 0.00397613/step Wall: 760.529, 0.00397613/step, 2.5487 hours remaining, 110.871094 MB of memory in use. ENERGY: 192400 683.3377 1870.7873 1991.5605 99.9608 -1.1269 -1080.0425 0.0000 0.0000 2714.9100 6279.3871 299.8694 3564.4770 6313.5325 303.0522 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: 761.321, 0.00395926/step Wall: 761.321, 0.00395926/step, 2.53767 hours remaining, 110.871094 MB of memory in use. ENERGY: 192600 681.1847 1852.2755 2012.8996 120.8151 0.7264 -1085.6551 0.0000 0.0000 2738.8903 6321.1364 302.5181 3582.2461 6352.7044 302.9588 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: 762.11, 0.00394866/step Wall: 762.11, 0.00394866/step, 2.53065 hours remaining, 110.871094 MB of memory in use. ENERGY: 192800 635.4740 1826.1680 1994.9767 101.9073 -0.6331 -1024.9449 0.0000 0.0000 2776.3926 6309.3406 306.6603 3532.9480 6344.4486 302.5933 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: 762.901, 0.00395228/step Wall: 762.901, 0.00395228/step, 2.53276 hours remaining, 110.871094 MB of memory in use. ENERGY: 193000 693.6668 1832.8540 1977.9499 98.1663 0.8650 -1050.5039 0.0000 0.0000 2730.8396 6283.8376 301.6288 3552.9981 6317.7051 302.1879 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: 763.692, 0.00395547/step Wall: 763.692, 0.00395547/step, 2.53458 hours remaining, 110.871094 MB of memory in use. ENERGY: 193200 672.4243 1834.6909 2013.3932 103.3618 1.4710 -1051.9694 0.0000 0.0000 2649.5842 6222.9560 292.6540 3573.3718 6255.0999 298.4850 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: 764.486, 0.00396997/step Wall: 764.486, 0.00396997/step, 2.54365 hours remaining, 110.871094 MB of memory in use. ENERGY: 193400 652.9374 1846.5621 1988.3015 110.7595 1.4379 -1101.9950 0.0000 0.0000 2693.7393 6191.7427 297.5310 3498.0034 6224.5886 297.0318 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: 765.278, 0.00395794/step Wall: 765.278, 0.00395794/step, 2.53572 hours remaining, 110.871094 MB of memory in use. ENERGY: 193600 661.2135 1776.4101 1998.2888 112.6764 -0.8255 -1052.8661 0.0000 0.0000 2686.0526 6180.9498 296.6820 3494.8972 6213.8931 295.8211 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: 766.067, 0.00394922/step Wall: 766.067, 0.00394922/step, 2.52992 hours remaining, 110.871094 MB of memory in use. ENERGY: 193800 643.5055 1823.7750 2012.0915 112.8122 -0.9418 -1042.7381 0.0000 0.0000 2622.3460 6170.8502 289.6454 3548.5042 6202.9289 295.3312 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: 766.858, 0.00395347/step Wall: 766.858, 0.00395347/step, 2.53242 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 194000 639.8993 1831.4765 2005.3880 111.5608 -0.3095 -1054.6548 0.0000 0.0000 2712.4073 6245.7676 299.5929 3533.3602 6278.8542 297.1909 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: 767.649, 0.00395558/step Wall: 767.649, 0.00395558/step, 2.53355 hours remaining, 110.871094 MB of memory in use. ENERGY: 194200 693.5130 1840.8581 2009.3657 105.1741 -0.8404 -1090.4560 0.0000 0.0000 2690.3743 6247.9888 297.1593 3557.6145 6278.2616 299.8050 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: 768.44, 0.00395401/step Wall: 768.44, 0.00395401/step, 2.53232 hours remaining, 110.871094 MB of memory in use. ENERGY: 194400 674.4734 1823.3940 2008.7302 117.0618 -0.8398 -1088.4928 0.0000 0.0000 2709.7358 6244.0627 299.2979 3534.3269 6276.7916 300.6860 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: 769.231, 0.00395288/step Wall: 769.231, 0.00395288/step, 2.53138 hours remaining, 110.871094 MB of memory in use. ENERGY: 194600 655.2245 1866.5052 2014.7605 104.5798 0.1371 -1036.9197 0.0000 0.0000 2725.0465 6329.3338 300.9890 3604.2874 6361.5269 301.4195 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: 770.02, 0.00394608/step Wall: 770.02, 0.00394608/step, 2.52681 hours remaining, 110.871094 MB of memory in use. ENERGY: 194800 654.1773 1896.4799 2011.2497 109.2438 -0.1848 -1064.4022 0.0000 0.0000 2737.2830 6343.8467 302.3405 3606.5638 6377.4093 301.5419 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: 770.81, 0.00395216/step Wall: 770.81, 0.00395216/step, 2.53048 hours remaining, 110.871094 MB of memory in use. ENERGY: 195000 648.9287 1859.2734 2025.4102 115.1703 -0.2751 -1029.6036 0.0000 0.0000 2779.3489 6398.2527 306.9868 3618.9039 6434.1804 304.9665 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: 771.601, 0.00395296/step Wall: 771.601, 0.00395296/step, 2.53077 hours remaining, 110.871094 MB of memory in use. ENERGY: 195200 679.7357 1894.2506 2010.2926 95.9586 -0.0810 -1069.7474 0.0000 0.0000 2746.0021 6356.4111 303.3036 3610.4090 6386.8856 304.6581 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: 772.391, 0.0039528/step Wall: 772.391, 0.0039528/step, 2.53045 hours remaining, 110.871094 MB of memory in use. ENERGY: 195400 651.8051 1894.9090 2013.4016 115.3478 -0.2004 -1075.7487 0.0000 0.0000 2697.0887 6296.6031 297.9010 3599.5144 6330.7528 303.6564 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: 773.182, 0.00395401/step Wall: 773.182, 0.00395401/step, 2.531 hours remaining, 110.871094 MB of memory in use. ENERGY: 195600 679.4021 1901.6332 2012.2436 97.5710 -0.5785 -1087.7196 0.0000 0.0000 2778.6030 6381.1548 306.9044 3602.5517 6417.5631 304.5850 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: 773.971, 0.00394483/step Wall: 773.971, 0.00394483/step, 2.52491 hours remaining, 110.871094 MB of memory in use. ENERGY: 195800 669.8752 1896.7767 2022.0644 99.8250 -0.6187 -1085.7766 0.0000 0.0000 2805.8407 6407.9867 309.9129 3602.1460 6440.0372 308.1689 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: 774.762, 0.00395187/step Wall: 774.762, 0.00395187/step, 2.5292 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 196000 686.5353 1928.3785 1994.0874 111.5864 -0.3677 -1093.0602 0.0000 0.0000 2714.9879 6342.1476 299.8780 3627.1597 6374.8922 306.4480 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: 775.552, 0.00395347/step Wall: 775.552, 0.00395347/step, 2.53 hours remaining, 110.871094 MB of memory in use. ENERGY: 196200 645.6045 1828.0784 2038.7096 112.4376 0.0381 -1080.3439 0.0000 0.0000 2768.8317 6313.3561 305.8252 3544.5243 6348.3920 301.8312 LDB: ============= START OF LOAD BALANCING ============== 778.511 LDB: ============== END OF LOAD BALANCING =============== 778.511 LDB: =============== DONE WITH MIGRATION ================ 778.511 LDB: ============= START OF LOAD BALANCING ============== 778.908 LDB: ============== END OF LOAD BALANCING =============== 778.908 LDB: =============== DONE WITH MIGRATION ================ 778.908 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: 776.344, 0.00395752/step Wall: 776.344, 0.00395752/step, 2.53237 hours remaining, 110.871094 MB of memory in use. ENERGY: 196400 667.1944 1815.0468 2018.7546 111.6465 -0.3225 -1035.1825 0.0000 0.0000 2695.3503 6272.4875 297.7089 3577.1372 6306.7250 301.2880 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: 777.133, 0.00394614/step Wall: 777.133, 0.00394614/step, 2.52487 hours remaining, 110.871094 MB of memory in use. ENERGY: 196600 661.3187 1875.6324 2013.3710 100.9069 1.3665 -1072.9300 0.0000 0.0000 2655.9805 6235.6459 293.3604 3579.6654 6267.4436 298.3744 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: 777.923, 0.00395182/step Wall: 777.923, 0.00395182/step, 2.52829 hours remaining, 110.871094 MB of memory in use. ENERGY: 196800 691.1491 1785.3600 2008.1085 104.6873 -0.2842 -1092.0338 0.0000 0.0000 2706.0615 6203.0485 298.8920 3496.9870 6235.8572 297.3445 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: 778.717, 0.00396925/step Wall: 778.717, 0.00396925/step, 2.53922 hours remaining, 110.871094 MB of memory in use. ENERGY: 197000 638.2627 1866.8202 2007.4323 110.3272 -0.0240 -1092.0093 0.0000 0.0000 2691.5469 6222.3560 297.2889 3530.8091 6254.3557 297.5846 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: 779.508, 0.00395332/step Wall: 779.508, 0.00395332/step, 2.52881 hours remaining, 110.871094 MB of memory in use. ENERGY: 197200 677.1400 1863.0058 1969.1028 93.5407 0.2109 -1057.5965 0.0000 0.0000 2717.7484 6263.1521 300.1829 3545.4037 6297.8539 300.5049 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: 780.298, 0.00395303/step Wall: 780.298, 0.00395303/step, 2.52841 hours remaining, 110.871094 MB of memory in use. ENERGY: 197400 626.1836 1854.9023 2004.7829 119.3547 0.3222 -1055.4565 0.0000 0.0000 2732.2422 6282.3314 301.7838 3550.0892 6314.4903 300.1808 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: 781.088, 0.00394601/step Wall: 781.088, 0.00394601/step, 2.52369 hours remaining, 110.871094 MB of memory in use. ENERGY: 197600 642.8477 1872.1411 1995.9514 112.2621 0.1286 -1076.8037 0.0000 0.0000 2750.7683 6297.2954 303.8300 3546.5272 6330.3752 301.7068 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: 781.878, 0.00395189/step Wall: 781.878, 0.00395189/step, 2.52723 hours remaining, 110.871094 MB of memory in use. ENERGY: 197800 665.5719 1866.5148 2022.8841 108.1169 0.1578 -1087.4959 0.0000 0.0000 2728.0223 6303.7719 301.3177 3575.7496 6337.9449 302.6304 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: 782.668, 0.00395067/step Wall: 782.668, 0.00395067/step, 2.52623 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 198000 652.9138 1805.0536 1992.9595 118.8359 1.1783 -1061.0357 0.0000 0.0000 2785.4940 6295.3995 307.6656 3509.9055 6332.0946 302.1049 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: 783.459, 0.00395324/step Wall: 783.459, 0.00395324/step, 2.52765 hours remaining, 110.871094 MB of memory in use. ENERGY: 198200 680.2408 1869.3077 1981.0483 106.3093 -0.9490 -1084.1649 0.0000 0.0000 2703.1834 6254.9755 298.5741 3551.7921 6288.9762 300.8923 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: 784.249, 0.0039518/step Wall: 784.249, 0.0039518/step, 2.52652 hours remaining, 110.871094 MB of memory in use. ENERGY: 198400 624.1613 1938.9579 2003.5615 104.1550 -0.4919 -1107.8220 0.0000 0.0000 2692.2948 6254.8166 297.3715 3562.5218 6287.6608 299.6204 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: 785.038, 0.00394563/step Wall: 785.038, 0.00394563/step, 2.52235 hours remaining, 110.871094 MB of memory in use. ENERGY: 198600 598.7245 1887.3789 1994.1676 108.7961 -0.2349 -1055.8189 0.0000 0.0000 2709.6762 6242.6895 299.2913 3533.0133 6276.1376 298.5640 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: 785.829, 0.00395273/step Wall: 785.829, 0.00395273/step, 2.52667 hours remaining, 110.871094 MB of memory in use. ENERGY: 198800 648.8632 1800.2074 2044.8225 106.4152 -1.5387 -1051.3964 0.0000 0.0000 2682.1402 6229.5134 296.2499 3547.3732 6260.7588 298.6406 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: 786.619, 0.00394991/step Wall: 786.619, 0.00394991/step, 2.52465 hours remaining, 110.871094 MB of memory in use. ENERGY: 199000 612.7152 1816.3263 1985.0571 104.0188 -1.3398 -1042.3851 0.0000 0.0000 2728.8584 6203.2508 301.4100 3474.3924 6237.4977 298.5762 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: 787.409, 0.00395265/step Wall: 787.409, 0.00395265/step, 2.52619 hours remaining, 110.871094 MB of memory in use. ENERGY: 199200 630.6868 1849.0271 2018.3277 107.0506 -0.4511 -1060.9451 0.0000 0.0000 2633.7301 6177.4262 290.9028 3543.6961 6209.3721 294.8644 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: 788.2, 0.00395203/step Wall: 788.2, 0.00395203/step, 2.52556 hours remaining, 110.871094 MB of memory in use. ENERGY: 199400 654.1404 1865.4332 1993.4023 104.9749 0.5258 -1074.1219 0.0000 0.0000 2651.0419 6195.3966 292.8150 3544.3547 6226.3425 294.3471 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: 788.989, 0.00394456/step Wall: 788.989, 0.00394456/step, 2.52057 hours remaining, 110.871094 MB of memory in use. ENERGY: 199600 619.8519 1828.2909 2015.5459 104.3433 -0.7145 -1051.9746 0.0000 0.0000 2684.9359 6200.2788 296.5586 3515.3429 6234.4256 296.7147 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: 789.779, 0.00395339/step Wall: 789.779, 0.00395339/step, 2.526 hours remaining, 110.871094 MB of memory in use. ENERGY: 199800 651.5474 1814.5704 1982.7376 104.4819 0.1450 -1074.8813 0.0000 0.0000 2734.2323 6212.8335 302.0036 3478.6012 6246.9346 299.3935 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: 790.57, 0.00395491/step Wall: 790.57, 0.00395491/step, 2.52675 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 200000 621.8008 1838.1216 2004.0849 109.7226 -1.0203 -1051.3885 0.0000 0.0000 2758.5386 6279.8597 304.6883 3521.3211 6315.9149 300.7020 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.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: 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: 791.432, 0.0043073/step Wall: 791.432, 0.0043073/step, 2.75165 hours remaining, 110.871094 MB of memory in use. ENERGY: 200200 653.9966 1886.3677 2001.1371 109.6218 -1.0057 -1076.4828 0.0000 0.0000 2723.5664 6297.2011 300.8255 3573.6346 6329.8884 300.9543 LDB: ============= START OF LOAD BALANCING ============== 794.391 LDB: ============== END OF LOAD BALANCING =============== 794.391 LDB: =============== DONE WITH MIGRATION ================ 794.391 LDB: ============= START OF LOAD BALANCING ============== 794.787 LDB: ============== END OF LOAD BALANCING =============== 794.787 LDB: =============== DONE WITH MIGRATION ================ 794.788 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: 792.223, 0.00395713/step Wall: 792.223, 0.00395713/step, 2.52773 hours remaining, 110.871094 MB of memory in use. ENERGY: 200400 645.5562 1877.0977 1995.3954 115.7518 -1.3066 -1088.2161 0.0000 0.0000 2734.7739 6279.0524 302.0634 3544.2785 6313.7591 300.4212 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: 793.012, 0.00394591/step Wall: 793.012, 0.00394591/step, 2.52034 hours remaining, 110.871094 MB of memory in use. ENERGY: 200600 660.1915 1883.0872 1995.8104 106.5917 -0.5026 -1085.2430 0.0000 0.0000 2682.0657 6242.0007 296.2416 3559.9350 6271.1798 301.6138 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: 793.802, 0.00395008/step Wall: 793.802, 0.00395008/step, 2.52279 hours remaining, 110.871094 MB of memory in use. ENERGY: 200800 660.3394 1843.5735 2008.0291 110.0017 1.4741 -1075.7235 0.0000 0.0000 2700.7968 6248.4912 298.3105 3547.6944 6279.1873 298.8155 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: 794.593, 0.00395072/step Wall: 794.593, 0.00395072/step, 2.52297 hours remaining, 110.871094 MB of memory in use. ENERGY: 201000 635.2895 1841.8610 2019.3064 112.1873 -1.1479 -1056.4288 0.0000 0.0000 2691.7627 6242.8302 297.3127 3551.0675 6278.4288 300.3614 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: 795.383, 0.00395157/step Wall: 795.383, 0.00395157/step, 2.52329 hours remaining, 110.871094 MB of memory in use. ENERGY: 201200 653.3353 1852.7790 1992.6324 111.7494 -0.5110 -1076.1292 0.0000 0.0000 2671.6142 6205.4702 295.0872 3533.8560 6238.2790 297.3746 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: 796.172, 0.00394337/step Wall: 796.172, 0.00394337/step, 2.51784 hours remaining, 110.871094 MB of memory in use. ENERGY: 201400 640.9762 1836.6710 1980.7430 87.7722 0.2458 -1063.6363 0.0000 0.0000 2712.8353 6195.6072 299.6402 3482.7719 6228.4397 296.9025 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: 796.962, 0.00395073/step Wall: 796.962, 0.00395073/step, 2.52232 hours remaining, 110.871094 MB of memory in use. ENERGY: 201600 626.0770 1893.6267 1998.0322 104.7580 -0.4222 -1056.3845 0.0000 0.0000 2611.3796 6177.0669 288.4342 3565.6872 6207.0139 295.1771 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: 797.752, 0.00395067/step Wall: 797.752, 0.00395067/step, 2.52206 hours remaining, 110.871094 MB of memory in use. ENERGY: 201800 602.2573 1894.1088 1988.9613 115.3486 -0.5953 -1093.5855 0.0000 0.0000 2680.2240 6186.7193 296.0382 3506.4953 6217.7028 297.1830 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: 798.542, 0.00395154/step Wall: 798.542, 0.00395155/step, 2.52241 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 202000 665.2231 1836.6281 2023.1177 103.7014 0.4215 -1106.5301 0.0000 0.0000 2686.6584 6209.2200 296.7489 3522.5616 6241.9302 296.1134 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: 799.333, 0.00395274/step Wall: 799.333, 0.00395274/step, 2.52295 hours remaining, 110.871094 MB of memory in use. ENERGY: 202200 655.0493 1824.1651 2028.0901 112.8742 -0.1833 -1090.1813 0.0000 0.0000 2699.8377 6229.6519 298.2046 3529.8142 6260.0865 298.8128 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: 800.122, 0.00394632/step Wall: 800.122, 0.00394632/step, 2.51863 hours remaining, 110.871094 MB of memory in use. ENERGY: 202400 672.3987 1880.6579 1988.7701 104.0925 0.0349 -1113.4109 0.0000 0.0000 2733.9182 6266.4615 301.9689 3532.5433 6298.8437 301.0610 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: 800.912, 0.00395144/step Wall: 800.912, 0.00395144/step, 2.52168 hours remaining, 110.871094 MB of memory in use. ENERGY: 202600 663.3016 1875.6695 1978.1986 104.6461 0.3215 -1110.2481 0.0000 0.0000 2675.0028 6186.8921 295.4615 3511.8893 6220.1852 301.3768 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: 801.703, 0.00395179/step Wall: 801.703, 0.00395179/step, 2.52168 hours remaining, 110.871094 MB of memory in use. ENERGY: 202800 655.5682 1828.3536 1980.6684 112.5395 -1.4750 -1081.2823 0.0000 0.0000 2668.1316 6162.5039 294.7026 3494.3723 6194.9354 297.0846 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: 802.493, 0.00395262/step Wall: 802.493, 0.00395262/step, 2.52199 hours remaining, 110.871094 MB of memory in use. ENERGY: 203000 631.7207 1832.4033 1989.8026 107.9998 -1.4041 -1089.6905 0.0000 0.0000 2706.2268 6177.0587 298.9103 3470.8319 6209.5170 297.4552 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: 803.283, 0.00395116/step Wall: 803.283, 0.00395116/step, 2.52084 hours remaining, 110.871094 MB of memory in use. ENERGY: 203200 609.8143 1800.5304 2005.7598 109.6461 0.3591 -1074.4202 0.0000 0.0000 2695.5036 6147.1931 297.7259 3451.6895 6180.9344 294.0074 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: 804.072, 0.00394534/step Wall: 804.072, 0.00394534/step, 2.51691 hours remaining, 110.871094 MB of memory in use. ENERGY: 203400 655.9321 1821.6763 1977.2450 101.5165 0.7328 -1090.3670 0.0000 0.0000 2682.2681 6149.0039 296.2640 3466.7358 6180.4406 295.5388 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: 804.863, 0.00395266/step Wall: 804.863, 0.00395266/step, 2.52136 hours remaining, 110.871094 MB of memory in use. ENERGY: 203600 657.6327 1832.3295 1994.5581 97.5230 -0.7350 -1062.1470 0.0000 0.0000 2660.6297 6179.7911 293.8740 3519.1614 6211.9517 295.4625 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: 805.653, 0.00395219/step Wall: 805.653, 0.00395219/step, 2.52084 hours remaining, 110.871094 MB of memory in use. ENERGY: 203800 654.2889 1808.1838 1982.1943 101.5020 -1.3832 -1071.7956 0.0000 0.0000 2726.5634 6199.5536 301.1565 3472.9903 6234.8762 294.9467 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: 806.444, 0.00395182/step Wall: 806.444, 0.00395182/step, 2.52038 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 204000 627.9541 1860.2234 1994.0964 108.3912 -0.7870 -1106.8564 0.0000 0.0000 2703.1881 6186.2098 298.5747 3483.0216 6218.9726 297.3909 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: 807.234, 0.00395072/step Wall: 807.234, 0.00395072/step, 2.51946 hours remaining, 110.871094 MB of memory in use. ENERGY: 204200 671.5314 1860.6211 1994.4407 114.5507 -1.0432 -1086.3563 0.0000 0.0000 2647.3787 6201.1231 292.4103 3553.7444 6233.0605 295.7746 LDB: ============= START OF LOAD BALANCING ============== 810.193 LDB: ============== END OF LOAD BALANCING =============== 810.193 LDB: =============== DONE WITH MIGRATION ================ 810.193 LDB: ============= START OF LOAD BALANCING ============== 810.588 LDB: ============== END OF LOAD BALANCING =============== 810.588 LDB: =============== DONE WITH MIGRATION ================ 810.588 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: 808.024, 0.00394824/step Wall: 808.024, 0.00394824/step, 2.51766 hours remaining, 110.871094 MB of memory in use. ENERGY: 204400 611.8231 1851.6583 2011.9131 97.5144 -1.6802 -1062.4438 0.0000 0.0000 2675.4170 6184.2018 295.5073 3508.7848 6218.0405 295.7689 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: 808.814, 0.00395128/step Wall: 808.814, 0.00395128/step, 2.51938 hours remaining, 110.871094 MB of memory in use. ENERGY: 204600 641.6245 1826.5284 1995.5820 113.0363 -1.5358 -1101.9863 0.0000 0.0000 2736.4792 6209.7283 302.2517 3473.2491 6244.8624 297.9948 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: 809.604, 0.00395211/step Wall: 809.604, 0.00395211/step, 2.51969 hours remaining, 110.871094 MB of memory in use. ENERGY: 204800 665.4460 1822.0688 2016.8919 107.8261 -0.7988 -1098.4289 0.0000 0.0000 2720.7991 6233.8042 300.5198 3513.0051 6269.5669 298.9389 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: 810.395, 0.00395195/step Wall: 810.395, 0.00395195/step, 2.51937 hours remaining, 110.871094 MB of memory in use. ENERGY: 205000 668.3194 1805.8128 1999.8932 104.7293 -1.6104 -1102.5979 0.0000 0.0000 2788.1859 6262.7323 307.9629 3474.5464 6298.7918 300.2434 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: 811.184, 0.0039461/step Wall: 811.184, 0.0039461/step, 2.51542 hours remaining, 110.871094 MB of memory in use. ENERGY: 205200 651.3897 1910.3715 1989.6213 102.6142 -0.4272 -1080.0014 0.0000 0.0000 2739.0333 6312.6012 302.5339 3573.5680 6346.2667 301.4808 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: 811.974, 0.00395236/step Wall: 811.974, 0.00395236/step, 2.51919 hours remaining, 110.871094 MB of memory in use. ENERGY: 205400 638.1519 1888.4513 1984.0688 124.5883 -0.6257 -1060.1268 0.0000 0.0000 2744.4128 6318.9206 303.1280 3574.5078 6350.0218 303.0043 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: 812.765, 0.00395288/step Wall: 812.765, 0.00395288/step, 2.51931 hours remaining, 110.871094 MB of memory in use. ENERGY: 205600 655.3606 1844.3220 2025.5988 94.9872 0.0928 -1079.6989 0.0000 0.0000 2767.7746 6308.4371 305.7084 3540.6625 6343.6147 304.9328 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: 813.555, 0.00395299/step Wall: 813.555, 0.00395299/step, 2.51915 hours remaining, 110.871094 MB of memory in use. ENERGY: 205800 675.0194 1815.1664 2014.2334 108.0519 -0.1634 -1087.1182 0.0000 0.0000 2741.1677 6266.3572 302.7696 3525.1896 6299.9559 301.3065 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: 814.346, 0.00395042/step Wall: 814.346, 0.00395042/step, 2.5173 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 206000 628.4614 1853.7521 2019.7600 106.4509 -1.3735 -1052.1409 0.0000 0.0000 2739.0363 6293.9463 302.5342 3554.9100 6328.1348 301.6451 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: 815.135, 0.00394509/step Wall: 815.135, 0.00394509/step, 2.51368 hours remaining, 110.871094 MB of memory in use. ENERGY: 206200 604.6923 1866.5893 2011.1906 122.0426 -1.3719 -1075.6762 0.0000 0.0000 2755.0217 6282.4882 304.2998 3527.4665 6315.0019 302.7231 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: 815.925, 0.00395028/step Wall: 815.925, 0.00395028/step, 2.51677 hours remaining, 110.871094 MB of memory in use. ENERGY: 206400 662.6585 1845.5460 1996.1541 120.9096 -0.2972 -1053.8487 0.0000 0.0000 2734.3867 6305.5089 302.0206 3571.1223 6338.5065 301.6837 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: 816.715, 0.0039503/step Wall: 816.715, 0.0039503/step, 2.51656 hours remaining, 110.871094 MB of memory in use. ENERGY: 206600 640.3535 1826.2176 2016.2472 103.4282 -0.4732 -1057.8152 0.0000 0.0000 2744.0955 6272.0537 303.0930 3527.9582 6303.8260 299.9020 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: 817.505, 0.00395029/step Wall: 817.505, 0.00395029/step, 2.51633 hours remaining, 110.871094 MB of memory in use. ENERGY: 206800 635.2621 1802.1761 2004.8984 108.9077 -1.0243 -1029.9564 0.0000 0.0000 2772.9299 6293.1935 306.2778 3520.2636 6328.2289 300.5554 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: 818.296, 0.00395799/step Wall: 818.296, 0.00395799/step, 2.52102 hours remaining, 110.871094 MB of memory in use. ENERGY: 207000 627.0020 1884.8202 1986.1566 103.5133 0.7690 -1080.3385 0.0000 0.0000 2764.8993 6286.8219 305.3908 3521.9226 6321.2480 302.1079 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: 819.085, 0.00394506/step Wall: 819.085, 0.00394506/step, 2.51257 hours remaining, 110.871094 MB of memory in use. ENERGY: 207200 652.6132 1871.5848 1981.1760 108.3624 -0.8505 -1057.9663 0.0000 0.0000 2725.2171 6280.1368 301.0078 3554.9197 6311.5160 302.3660 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: 819.875, 0.00395013/step Wall: 819.875, 0.00395013/step, 2.51558 hours remaining, 110.871094 MB of memory in use. ENERGY: 207400 681.2441 1906.7839 2010.1406 109.7472 -0.3053 -1134.7963 0.0000 0.0000 2686.4070 6259.2213 296.7211 3572.8142 6286.0107 300.5018 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: 820.67, 0.00397056/step Wall: 820.67, 0.00397056/step, 2.52837 hours remaining, 110.871094 MB of memory in use. ENERGY: 207600 647.5182 1821.0012 2006.7426 108.5141 -1.1547 -1087.7090 0.0000 0.0000 2775.7134 6270.6259 306.5853 3494.9125 6309.2905 301.8444 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: 821.461, 0.00395727/step Wall: 821.461, 0.00395727/step, 2.51968 hours remaining, 110.871094 MB of memory in use. ENERGY: 207800 711.5383 1813.7711 1996.6576 94.1734 -1.7601 -1082.3121 0.0000 0.0000 2723.3334 6255.4015 300.7998 3532.0681 6289.6142 300.8925 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: 822.251, 0.00395226/step Wall: 822.251, 0.00395226/step, 2.51627 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 208000 658.6535 1809.9404 2038.1053 111.2655 -1.3522 -1065.5150 0.0000 0.0000 2739.5477 6290.6452 302.5907 3551.0975 6324.3396 301.6357 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: 823.041, 0.00394696/step Wall: 823.041, 0.00394696/step, 2.51268 hours remaining, 110.871094 MB of memory in use. ENERGY: 208200 616.1091 1879.3230 2004.3033 100.8644 -0.0955 -1036.2019 0.0000 0.0000 2691.5601 6255.8625 297.2903 3564.3025 6289.0621 301.2209 LDB: ============= START OF LOAD BALANCING ============== 826.001 LDB: ============== END OF LOAD BALANCING =============== 826.001 LDB: =============== DONE WITH MIGRATION ================ 826.001 LDB: ============= START OF LOAD BALANCING ============== 826.396 LDB: ============== END OF LOAD BALANCING =============== 826.396 LDB: =============== DONE WITH MIGRATION ================ 826.397 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: 823.832, 0.00395718/step Wall: 823.832, 0.00395718/step, 2.51896 hours remaining, 110.871094 MB of memory in use. ENERGY: 208400 678.1419 1841.7140 2009.3103 102.1831 0.5578 -1059.6918 0.0000 0.0000 2741.9396 6314.1549 302.8549 3572.2153 6346.2774 300.8222 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: 824.623, 0.00395181/step Wall: 824.623, 0.00395181/step, 2.51533 hours remaining, 110.871094 MB of memory in use. ENERGY: 208600 665.1141 1835.1674 2024.9089 108.3554 2.0140 -1084.7021 0.0000 0.0000 2752.1838 6303.0415 303.9864 3550.8578 6335.6684 304.1090 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: 825.413, 0.00395336/step Wall: 825.413, 0.00395336/step, 2.51609 hours remaining, 110.871094 MB of memory in use. ENERGY: 208800 666.5196 1869.0051 2002.2513 102.9483 -1.4389 -1061.1833 0.0000 0.0000 2694.9345 6273.0364 297.6630 3578.1019 6306.0552 301.5978 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: 826.202, 0.00394474/step Wall: 826.202, 0.00394474/step, 2.51039 hours remaining, 110.871094 MB of memory in use. ENERGY: 209000 670.8924 1824.5619 2029.9186 111.4802 -0.8828 -1049.7236 0.0000 0.0000 2729.3231 6315.5696 301.4613 3586.2466 6349.5279 300.6091 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: 826.993, 0.00395151/step Wall: 826.993, 0.00395151/step, 2.51448 hours remaining, 110.871094 MB of memory in use. ENERGY: 209200 654.4811 1858.9059 2027.3267 109.5768 -0.3196 -1048.3249 0.0000 0.0000 2719.6888 6321.3348 300.3972 3601.6460 6355.8567 300.3583 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: 827.783, 0.00395297/step Wall: 827.783, 0.00395297/step, 2.51519 hours remaining, 110.871094 MB of memory in use. ENERGY: 209400 640.3254 1830.0943 2000.0400 120.7990 -1.1721 -1038.4533 0.0000 0.0000 2736.0400 6287.6735 302.2032 3551.6335 6321.7905 300.4570 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: 828.574, 0.00395597/step Wall: 828.574, 0.00395597/step, 2.51688 hours remaining, 110.871094 MB of memory in use. ENERGY: 209600 643.6517 1779.2742 2016.6145 117.4231 -0.9367 -1061.5880 0.0000 0.0000 2769.8239 6264.2627 305.9348 3494.4388 6302.2244 300.7464 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: 829.365, 0.00395294/step Wall: 829.365, 0.00395294/step, 2.51473 hours remaining, 110.871094 MB of memory in use. ENERGY: 209800 640.8964 1831.9505 1994.7385 106.8031 -1.2862 -1052.1847 0.0000 0.0000 2759.1653 6280.0828 304.7575 3520.9175 6312.9374 299.9099 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: 830.154, 0.00394506/step Wall: 830.154, 0.00394506/step, 2.5095 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 210000 664.5102 1845.8243 2012.4429 97.7526 0.5792 -1085.0874 0.0000 0.0000 2726.7433 6262.7652 301.1764 3536.0218 6296.7091 300.5656 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 210000 WRITING COORDINATES TO DCD FILE MD.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: 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: 830.982, 0.00413817/step Wall: 830.982, 0.00413817/step, 2.63211 hours remaining, 110.871094 MB of memory in use. ENERGY: 210200 662.1841 1812.5798 2049.3953 106.4104 0.4358 -1079.3247 0.0000 0.0000 2753.4652 6305.1459 304.1279 3551.6806 6337.6053 300.5337 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: 831.772, 0.00395362/step Wall: 831.772, 0.00395362/step, 2.51451 hours remaining, 110.871094 MB of memory in use. ENERGY: 210400 673.5827 1834.2444 2009.3374 99.8617 0.8793 -1087.8635 0.0000 0.0000 2716.3465 6246.3886 300.0280 3530.0421 6277.4706 300.5900 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: 832.563, 0.00395302/step Wall: 832.563, 0.00395302/step, 2.5139 hours remaining, 110.871094 MB of memory in use. ENERGY: 210600 690.7431 1793.8709 2039.4321 107.6331 -1.1156 -1037.1847 0.0000 0.0000 2652.3944 6245.7733 292.9643 3593.3790 6275.8394 297.6638 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: 833.354, 0.00395375/step Wall: 833.354, 0.00395376/step, 2.51415 hours remaining, 110.871094 MB of memory in use. ENERGY: 210800 631.3540 1826.8780 2006.1285 100.9376 0.0611 -1047.7788 0.0000 0.0000 2642.7684 6160.3489 291.9011 3517.5804 6192.3687 294.9911 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: 834.143, 0.00394721/step Wall: 834.143, 0.00394721/step, 2.50976 hours remaining, 110.871094 MB of memory in use. ENERGY: 211000 629.9598 1845.9340 2001.6179 108.9344 0.6168 -1081.4628 0.0000 0.0000 2645.5067 6151.1069 292.2036 3505.6001 6182.7614 293.2317 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: 834.933, 0.00395159/step Wall: 834.933, 0.00395159/step, 2.51234 hours remaining, 110.871094 MB of memory in use. ENERGY: 211200 645.8223 1855.8532 2029.6879 111.6074 2.2947 -1065.5245 0.0000 0.0000 2611.4454 6191.1864 288.4414 3579.7410 6221.3514 295.0940 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: 835.724, 0.00395326/step Wall: 835.724, 0.00395326/step, 2.51317 hours remaining, 110.871094 MB of memory in use. ENERGY: 211400 657.2397 1814.6526 1992.2709 100.0895 1.2024 -1034.5206 0.0000 0.0000 2656.7613 6187.6958 293.4467 3530.9345 6218.9647 294.1817 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: 836.515, 0.00395265/step Wall: 836.515, 0.00395265/step, 2.51257 hours remaining, 110.871094 MB of memory in use. ENERGY: 211600 679.3379 1824.8827 1980.7283 105.6411 -0.3039 -1041.3573 0.0000 0.0000 2718.9494 6267.8782 300.3155 3548.9288 6302.9289 296.0427 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: 837.305, 0.00395328/step Wall: 837.305, 0.00395328/step, 2.51275 hours remaining, 110.871094 MB of memory in use. ENERGY: 211800 676.0328 1849.9347 1989.6374 110.0561 -0.5021 -1114.0144 0.0000 0.0000 2659.0537 6170.1983 293.6999 3511.1446 6202.0457 296.6990 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: 838.094, 0.00394547/step Wall: 838.094, 0.00394547/step, 2.50756 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 212000 636.5096 1853.6055 1989.9085 106.6496 -0.1727 -1049.5806 0.0000 0.0000 2688.4095 6225.3294 296.9423 3536.9199 6255.9938 298.1322 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: 838.885, 0.00395249/step Wall: 838.885, 0.00395249/step, 2.51181 hours remaining, 110.871094 MB of memory in use. ENERGY: 212200 653.0173 1877.5385 1985.4860 107.7929 -1.0844 -1072.5150 0.0000 0.0000 2729.2465 6279.4818 301.4529 3550.2352 6313.6404 298.9712 LDB: ============= START OF LOAD BALANCING ============== 841.846 LDB: ============== END OF LOAD BALANCING =============== 841.846 LDB: =============== DONE WITH MIGRATION ================ 841.846 LDB: ============= START OF LOAD BALANCING ============== 842.241 LDB: ============== END OF LOAD BALANCING =============== 842.241 LDB: =============== DONE WITH MIGRATION ================ 842.241 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: 839.677, 0.0039601/step Wall: 839.677, 0.0039601/step, 2.51642 hours remaining, 110.871094 MB of memory in use. ENERGY: 212400 658.6963 1831.8827 2027.7384 105.0930 -0.9063 -1054.4928 0.0000 0.0000 2735.2833 6303.2946 302.1197 3568.0114 6338.3753 302.8009 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: 840.467, 0.00395282/step Wall: 840.467, 0.00395282/step, 2.51158 hours remaining, 110.871094 MB of memory in use. ENERGY: 212600 698.5873 1854.8436 2007.6790 116.1863 -1.9776 -1078.9704 0.0000 0.0000 2737.5408 6333.8890 302.3690 3596.3482 6366.4290 303.4068 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: 841.257, 0.00394706/step Wall: 841.257, 0.00394706/step, 2.5077 hours remaining, 110.871094 MB of memory in use. ENERGY: 212800 684.6803 1862.8065 1990.0662 109.5796 -1.7360 -1053.7701 0.0000 0.0000 2731.6045 6323.2311 301.7133 3591.6265 6353.1682 301.5419 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: 842.048, 0.00395373/step Wall: 842.048, 0.00395373/step, 2.51172 hours remaining, 110.871094 MB of memory in use. ENERGY: 213000 679.6673 1861.0890 2024.0801 113.2344 -0.8086 -1096.6337 0.0000 0.0000 2724.8833 6305.5119 300.9710 3580.6286 6340.8841 301.8100 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: 842.838, 0.00395299/step Wall: 842.838, 0.00395299/step, 2.51103 hours remaining, 110.871094 MB of memory in use. ENERGY: 213200 673.4850 1896.3204 2006.5526 109.4565 -1.3242 -1075.9080 0.0000 0.0000 2685.4395 6294.0218 296.6143 3608.5823 6324.8422 299.8520 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: 843.629, 0.00395409/step Wall: 843.629, 0.00395409/step, 2.51151 hours remaining, 110.871094 MB of memory in use. ENERGY: 213400 658.2847 1847.9033 1997.5752 117.2607 -0.9620 -1094.6606 0.0000 0.0000 2716.0713 6241.4726 299.9976 3525.4013 6274.9220 298.7176 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: 844.42, 0.00395331/step Wall: 844.42, 0.00395331/step, 2.51079 hours remaining, 110.871094 MB of memory in use. ENERGY: 213600 669.6634 1871.5575 2020.9918 108.5603 -0.4743 -1092.1473 0.0000 0.0000 2726.3483 6304.4998 301.1328 3578.1515 6338.3265 298.6659 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: 845.209, 0.00394825/step Wall: 845.209, 0.00394825/step, 2.50735 hours remaining, 110.871094 MB of memory in use. ENERGY: 213800 681.6708 1796.9930 2007.0882 118.6078 0.0769 -1050.0621 0.0000 0.0000 2702.7263 6257.1008 298.5236 3554.3746 6291.3147 300.9152 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: 846, 0.00395204/step Wall: 846, 0.00395204/step, 2.50955 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 214000 649.2774 1832.0751 1999.9970 109.6668 -1.3163 -1030.1656 0.0000 0.0000 2712.4511 6271.9853 299.5978 3559.5342 6305.1734 298.6577 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: 846.79, 0.00395342/step Wall: 846.79, 0.00395342/step, 2.5102 hours remaining, 110.871094 MB of memory in use. ENERGY: 214200 648.1694 1856.4536 2006.3377 114.4531 1.4678 -1082.3013 0.0000 0.0000 2741.4428 6286.0231 302.8000 3544.5802 6320.1430 299.5287 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: 847.581, 0.00395354/step Wall: 847.581, 0.00395354/step, 2.51006 hours remaining, 110.871094 MB of memory in use. ENERGY: 214400 666.4825 1862.8738 2017.1541 111.0345 0.8003 -1079.6281 0.0000 0.0000 2693.3423 6272.0595 297.4872 3578.7172 6303.8348 300.6680 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: 848.372, 0.00395357/step Wall: 848.372, 0.00395356/step, 2.50985 hours remaining, 110.871094 MB of memory in use. ENERGY: 214600 641.0352 1862.7524 1990.9038 106.5694 -0.0651 -1075.5664 0.0000 0.0000 2729.8923 6255.5217 301.5242 3525.6294 6288.3083 298.8472 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: 849.161, 0.00394727/step Wall: 849.161, 0.00394728/step, 2.50565 hours remaining, 110.871094 MB of memory in use. ENERGY: 214800 666.1226 1881.5535 2007.8057 111.4874 -0.7823 -1094.6957 0.0000 0.0000 2732.1551 6303.6463 301.7741 3571.4912 6338.5336 302.1484 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: 849.952, 0.00395159/step Wall: 849.952, 0.00395159/step, 2.50817 hours remaining, 110.871094 MB of memory in use. ENERGY: 215000 694.1403 1919.7212 2005.3389 106.3125 -2.0446 -1065.6366 0.0000 0.0000 2709.7465 6367.5782 299.2991 3657.8317 6401.1382 303.3931 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: 850.742, 0.00395275/step Wall: 850.742, 0.00395275/step, 2.50868 hours remaining, 110.871094 MB of memory in use. ENERGY: 215200 661.5427 1858.3690 1992.2182 111.2467 -0.7653 -1061.6490 0.0000 0.0000 2761.4376 6322.3999 305.0085 3560.9623 6357.3643 306.2869 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: 851.533, 0.0039524/step Wall: 851.533, 0.0039524/step, 2.50824 hours remaining, 110.871094 MB of memory in use. ENERGY: 215400 672.8729 1864.8966 1998.7988 109.1570 -1.0143 -1044.0805 0.0000 0.0000 2744.7267 6345.3573 303.1627 3600.6306 6376.8985 304.4943 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: 852.323, 0.00395161/step Wall: 852.323, 0.00395161/step, 2.50751 hours remaining, 110.871094 MB of memory in use. ENERGY: 215600 681.8745 1894.5354 1994.9158 113.0775 -2.0956 -1092.5437 0.0000 0.0000 2768.7281 6358.4920 305.8137 3589.7639 6392.7028 303.5234 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: 853.112, 0.00394561/step Wall: 853.112, 0.00394562/step, 2.50349 hours remaining, 110.871094 MB of memory in use. ENERGY: 215800 660.4092 1873.8039 2002.3340 102.6889 -2.5296 -1056.2422 0.0000 0.0000 2743.2600 6323.7242 303.0007 3580.4642 6358.1804 304.5229 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: 853.902, 0.00395194/step Wall: 853.902, 0.00395194/step, 2.50729 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 216000 629.1008 1870.1599 2006.5511 106.3357 -1.3706 -1064.8365 0.0000 0.0000 2737.6883 6283.6288 302.3853 3545.9404 6319.3568 302.5739 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: 854.693, 0.00395225/step Wall: 854.693, 0.00395225/step, 2.50726 hours remaining, 110.871094 MB of memory in use. ENERGY: 216200 652.5190 1851.4465 1984.8766 111.9856 -0.2379 -1080.8552 0.0000 0.0000 2713.8215 6233.5560 299.7491 3519.7345 6263.3452 299.4889 LDB: ============= START OF LOAD BALANCING ============== 857.652 LDB: ============== END OF LOAD BALANCING =============== 857.652 LDB: =============== DONE WITH MIGRATION ================ 857.652 LDB: ============= START OF LOAD BALANCING ============== 858.049 LDB: ============== END OF LOAD BALANCING =============== 858.049 LDB: =============== DONE WITH MIGRATION ================ 858.049 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: 855.485, 0.00395834/step Wall: 855.485, 0.00395834/step, 2.51091 hours remaining, 110.871094 MB of memory in use. ENERGY: 216400 659.9087 1886.2009 1997.6066 105.7036 -0.8322 -1072.1260 0.0000 0.0000 2654.6570 6231.1187 293.2143 3576.4617 6263.1129 297.7668 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: 856.273, 0.00394476/step Wall: 856.273, 0.00394476/step, 2.50207 hours remaining, 110.871094 MB of memory in use. ENERGY: 216600 633.0622 1869.5834 1991.0626 114.6329 -0.3094 -1043.9266 0.0000 0.0000 2634.4202 6198.5252 290.9790 3564.1050 6228.5233 296.1247 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: 857.064, 0.00395416/step Wall: 857.064, 0.00395416/step, 2.50782 hours remaining, 110.871094 MB of memory in use. ENERGY: 216800 650.2292 1867.1848 2014.8244 100.4101 -1.0839 -1060.1792 0.0000 0.0000 2654.4936 6225.8791 293.1962 3571.3854 6259.3615 296.2002 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: 857.855, 0.0039523/step Wall: 857.855, 0.0039523/step, 2.50642 hours remaining, 110.871094 MB of memory in use. ENERGY: 217000 676.6245 1849.2138 1999.6923 105.0933 -0.5358 -1074.9069 0.0000 0.0000 2690.5517 6245.7330 297.1789 3555.1813 6276.5805 297.8898 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: 858.646, 0.00395764/step Wall: 858.646, 0.00395764/step, 2.50958 hours remaining, 110.871094 MB of memory in use. ENERGY: 217200 657.3270 1849.5376 1989.8086 100.3060 -1.2939 -1048.7281 0.0000 0.0000 2754.2883 6301.2454 304.2188 3546.9572 6336.0499 300.3848 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: 859.437, 0.00395143/step Wall: 859.437, 0.00395143/step, 2.50543 hours remaining, 110.871094 MB of memory in use. ENERGY: 217400 642.5967 1822.2659 1966.8173 98.9910 -0.2346 -982.7163 0.0000 0.0000 2756.8179 6304.5378 304.4982 3547.7200 6339.9135 301.6580 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: 860.226, 0.00394776/step Wall: 860.226, 0.00394776/step, 2.50288 hours remaining, 110.871094 MB of memory in use. ENERGY: 217600 653.4304 1805.3893 2001.0286 116.5034 -1.2429 -1022.5469 0.0000 0.0000 2705.4790 6258.0410 298.8277 3552.5619 6291.5264 298.4642 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: 861.017, 0.00395581/step Wall: 861.017, 0.00395581/step, 2.50777 hours remaining, 110.871094 MB of memory in use. ENERGY: 217800 682.7595 1826.7654 2007.6608 105.5114 1.2816 -1044.4618 0.0000 0.0000 2672.2177 6251.7348 295.1539 3579.5171 6284.4016 296.5835 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: 861.808, 0.00395411/step Wall: 861.808, 0.00395411/step, 2.50647 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 218000 651.6564 1780.5427 2000.6273 110.4116 -0.2355 -1019.1113 0.0000 0.0000 2675.3338 6199.2250 295.4981 3523.8912 6232.5368 296.5139 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: 862.599, 0.00395298/step Wall: 862.599, 0.00395298/step, 2.50553 hours remaining, 110.871094 MB of memory in use. ENERGY: 218200 659.4958 1845.0201 1962.8171 109.7886 -0.3179 -1046.9277 0.0000 0.0000 2707.9240 6237.7999 299.0978 3529.8759 6270.1616 295.6552 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: 863.389, 0.00395285/step Wall: 863.389, 0.00395285/step, 2.50523 hours remaining, 110.871094 MB of memory in use. ENERGY: 218400 664.1311 1794.4707 1991.7270 136.4980 -0.4553 -1030.1666 0.0000 0.0000 2719.8832 6276.0881 300.4187 3556.2049 6311.0770 298.1349 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: 864.179, 0.00394823/step Wall: 864.179, 0.00394823/step, 2.50208 hours remaining, 110.871094 MB of memory in use. ENERGY: 218600 643.9872 1832.4744 2003.8560 103.8921 -1.4787 -1020.2243 0.0000 0.0000 2657.8668 6220.3735 293.5688 3562.5067 6254.2988 295.9068 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: 864.97, 0.00395465/step Wall: 864.97, 0.00395465/step, 2.50593 hours remaining, 110.871094 MB of memory in use. ENERGY: 218800 673.6569 1854.1484 1991.3773 101.8008 -0.9654 -1029.7157 0.0000 0.0000 2685.9593 6276.2616 296.6717 3590.3023 6310.2147 296.6551 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: 865.761, 0.00395417/step Wall: 865.761, 0.00395417/step, 2.50541 hours remaining, 110.871094 MB of memory in use. ENERGY: 219000 628.3169 1891.8574 1989.2345 100.2441 0.3011 -1064.0820 0.0000 0.0000 2681.9299 6227.8018 296.2266 3545.8719 6258.1613 297.3555 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: 866.551, 0.00395289/step Wall: 866.551, 0.00395289/step, 2.50438 hours remaining, 110.871094 MB of memory in use. ENERGY: 219200 675.4044 1835.1372 2014.9773 105.7512 -1.0367 -1064.4852 0.0000 0.0000 2659.4731 6225.2213 293.7462 3565.7482 6258.9156 296.1458 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: 867.342, 0.00395383/step Wall: 867.342, 0.00395383/step, 2.50475 hours remaining, 110.871094 MB of memory in use. ENERGY: 219400 644.4803 1862.2976 2006.9297 106.3897 -1.1080 -1067.0587 0.0000 0.0000 2684.1812 6236.1118 296.4753 3551.9306 6270.9650 296.1076 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: 868.132, 0.00394756/step Wall: 868.132, 0.00394756/step, 2.50056 hours remaining, 110.871094 MB of memory in use. ENERGY: 219600 681.5403 1824.7983 2028.9772 99.8298 -0.3160 -1048.9353 0.0000 0.0000 2663.5334 6249.4278 294.1947 3585.8943 6282.2877 297.1711 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: 868.922, 0.00395255/step Wall: 868.922, 0.00395255/step, 2.5035 hours remaining, 110.871094 MB of memory in use. ENERGY: 219800 666.5265 1847.2141 2010.2363 92.8062 0.0885 -1078.2942 0.0000 0.0000 2749.7945 6288.3720 303.7225 3538.5775 6321.2625 299.6970 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: 869.713, 0.00395499/step Wall: 869.713, 0.00395499/step, 2.50482 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 220000 632.8833 1848.1019 2014.2173 101.5803 -0.3799 -1057.2878 0.0000 0.0000 2718.6529 6257.7680 300.2828 3539.1150 6289.5264 299.9319 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 220000 WRITING COORDINATES TO DCD FILE MD.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: 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: 870.541, 0.00413827/step Wall: 870.541, 0.00413827/step, 2.62067 hours remaining, 110.871094 MB of memory in use. ENERGY: 220200 680.4062 1857.9725 2016.4957 111.8821 -1.1422 -1073.0089 0.0000 0.0000 2641.2618 6233.8673 291.7347 3592.6055 6260.9510 298.2627 LDB: ============= START OF LOAD BALANCING ============== 873.5 LDB: ============== END OF LOAD BALANCING =============== 873.5 LDB: =============== DONE WITH MIGRATION ================ 873.5 LDB: ============= START OF LOAD BALANCING ============== 873.896 LDB: ============== END OF LOAD BALANCING =============== 873.896 LDB: =============== DONE WITH MIGRATION ================ 873.896 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: 871.332, 0.00395645/step Wall: 871.332, 0.00395645/step, 2.50532 hours remaining, 110.871094 MB of memory in use. ENERGY: 220400 656.4494 1811.9619 1990.5575 106.3293 0.0778 -1118.0402 0.0000 0.0000 2745.8598 6193.1956 303.2879 3447.3358 6229.4519 296.7110 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: 872.122, 0.00394956/step Wall: 872.122, 0.00394956/step, 2.50073 hours remaining, 110.871094 MB of memory in use. ENERGY: 220600 624.4947 1803.5110 1997.2396 108.0526 -0.3657 -1084.8740 0.0000 0.0000 2730.4692 6178.5273 301.5879 3448.0581 6213.3978 295.3089 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: 872.912, 0.00395199/step Wall: 872.912, 0.00395199/step, 2.50205 hours remaining, 110.871094 MB of memory in use. ENERGY: 220800 647.0411 1848.7179 1984.9002 103.2128 -0.5707 -1092.7507 0.0000 0.0000 2670.2694 6160.8199 294.9387 3490.5505 6192.5489 296.2862 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: 873.703, 0.00395456/step Wall: 873.703, 0.00395456/step, 2.50346 hours remaining, 110.871094 MB of memory in use. ENERGY: 221000 633.4329 1872.0162 1987.4758 109.3786 -1.5676 -1098.3326 0.0000 0.0000 2674.6857 6177.0891 295.4265 3502.4034 6209.1165 295.6837 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: 874.494, 0.00395508/step Wall: 874.494, 0.00395508/step, 2.50357 hours remaining, 110.871094 MB of memory in use. ENERGY: 221200 644.2660 1869.6852 1997.2144 110.2706 -1.3876 -1084.6429 0.0000 0.0000 2681.7157 6217.1212 296.2030 3535.4056 6248.9214 296.8235 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: 875.284, 0.00394738/step Wall: 875.284, 0.00394738/step, 2.49847 hours remaining, 110.871094 MB of memory in use. ENERGY: 221400 647.3301 1851.3306 1998.5591 120.6597 -2.0586 -1070.6088 0.0000 0.0000 2644.2436 6189.4558 292.0641 3545.2122 6221.9496 295.0573 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: 876.075, 0.00395411/step Wall: 876.075, 0.00395411/step, 2.50251 hours remaining, 110.871094 MB of memory in use. ENERGY: 221600 649.9198 1847.2951 1997.3391 127.5346 -2.6830 -1074.1306 0.0000 0.0000 2646.9185 6192.1934 292.3595 3545.2749 6223.0315 295.9970 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: 876.865, 0.00395235/step Wall: 876.865, 0.00395235/step, 2.50118 hours remaining, 110.871094 MB of memory in use. ENERGY: 221800 664.5133 1868.6618 1987.6002 101.5964 -1.9182 -1100.4616 0.0000 0.0000 2716.9500 6236.9419 300.0947 3519.9919 6267.3067 299.0287 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: 877.656, 0.00395458/step Wall: 877.656, 0.00395458/step, 2.50237 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 222000 667.9754 1885.6413 1997.8161 109.2097 -2.1019 -1049.6984 0.0000 0.0000 2658.1649 6267.0070 293.6017 3608.8422 6297.9497 298.6823 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: 878.447, 0.00395494/step Wall: 878.447, 0.00395494/step, 2.50238 hours remaining, 110.871094 MB of memory in use. ENERGY: 222200 679.3923 1818.4638 2009.8049 110.7206 -1.3746 -1076.6695 0.0000 0.0000 2705.2879 6245.6255 298.8066 3540.3376 6278.5706 299.1432 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: 879.237, 0.00394895/step Wall: 879.237, 0.00394895/step, 2.49837 hours remaining, 110.871094 MB of memory in use. ENERGY: 222400 666.2261 1828.4578 2009.7941 102.7318 -2.4694 -1069.6441 0.0000 0.0000 2698.4111 6233.5073 298.0470 3535.0962 6267.8189 297.1339 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: 880.028, 0.00395504/step Wall: 880.028, 0.00395504/step, 2.50201 hours remaining, 110.871094 MB of memory in use. ENERGY: 222600 657.2898 1823.5178 2008.3541 105.5814 -1.3483 -1056.5272 0.0000 0.0000 2698.0477 6234.9153 298.0069 3536.8676 6267.0539 297.5620 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: 880.821, 0.00396462/step Wall: 880.821, 0.00396462/step, 2.50784 hours remaining, 110.871094 MB of memory in use. ENERGY: 222800 650.5700 1787.4453 2005.9891 102.3728 -1.0996 -1052.1559 0.0000 0.0000 2709.2430 6202.3647 299.2434 3493.1217 6235.0346 297.9283 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: 881.612, 0.00395838/step Wall: 881.612, 0.00395838/step, 2.50368 hours remaining, 110.871094 MB of memory in use. ENERGY: 223000 677.5232 1822.2212 2011.4068 96.0270 -2.1352 -1058.4506 0.0000 0.0000 2734.0543 6280.6466 301.9839 3546.5923 6311.5809 299.4912 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: 882.403, 0.00395572/step Wall: 882.403, 0.00395572/step, 2.50177 hours remaining, 110.871094 MB of memory in use. ENERGY: 223200 651.6803 1849.0278 1994.4378 109.0245 -1.4867 -1032.4810 0.0000 0.0000 2726.9393 6297.1421 301.1980 3570.2028 6329.5889 302.1717 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: 883.193, 0.00394911/step Wall: 883.193, 0.00394911/step, 2.49737 hours remaining, 110.871094 MB of memory in use. ENERGY: 223400 630.1253 1908.8935 1985.2239 100.5142 -1.0026 -1022.0779 0.0000 0.0000 2714.5420 6316.2183 299.8287 3601.6763 6347.5512 301.3469 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: 883.984, 0.00395486/step Wall: 883.984, 0.00395486/step, 2.50079 hours remaining, 110.871094 MB of memory in use. ENERGY: 223600 674.9250 1874.7091 1968.5095 106.6565 -0.6805 -1063.4344 0.0000 0.0000 2727.7120 6288.3971 301.2834 3560.6851 6319.6258 302.3312 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: 884.775, 0.00395478/step Wall: 884.775, 0.00395479/step, 2.50053 hours remaining, 110.871094 MB of memory in use. ENERGY: 223800 649.6612 1857.5621 1994.8581 115.8391 -1.7213 -1030.6629 0.0000 0.0000 2743.5101 6329.0463 303.0283 3585.5363 6363.1889 303.3972 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: 885.566, 0.00395465/step Wall: 885.566, 0.00395465/step, 2.50022 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 224000 672.0883 1927.8958 1971.7463 106.9599 -1.6109 -1077.4713 0.0000 0.0000 2706.7601 6306.3683 298.9692 3599.6082 6336.3930 301.8950 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: 886.356, 0.0039497/step Wall: 886.356, 0.0039497/step, 2.49687 hours remaining, 110.871094 MB of memory in use. ENERGY: 224200 660.1208 1901.2388 2000.9610 112.6000 -1.5895 -1076.2127 0.0000 0.0000 2704.8301 6301.9485 298.7560 3597.1184 6334.3308 303.9774 LDB: ============= START OF LOAD BALANCING ============== 889.316 LDB: ============== END OF LOAD BALANCING =============== 889.316 LDB: =============== DONE WITH MIGRATION ================ 889.316 LDB: ============= START OF LOAD BALANCING ============== 889.712 LDB: ============== END OF LOAD BALANCING =============== 889.712 LDB: =============== DONE WITH MIGRATION ================ 889.712 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: 887.147, 0.0039567/step Wall: 887.147, 0.0039567/step, 2.50107 hours remaining, 110.871094 MB of memory in use. ENERGY: 224400 672.0761 1830.4236 2005.1450 110.1638 -1.4336 -1082.5925 0.0000 0.0000 2712.1203 6245.9027 299.5612 3533.7824 6278.6039 300.3407 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: 887.938, 0.00395318/step Wall: 887.938, 0.00395318/step, 2.49863 hours remaining, 110.871094 MB of memory in use. ENERGY: 224600 677.7955 1888.8470 1984.6556 107.0615 -2.1256 -1059.5224 0.0000 0.0000 2679.9150 6276.6264 296.0041 3596.7115 6308.0106 299.6340 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: 888.729, 0.0039541/step Wall: 888.729, 0.0039541/step, 2.49899 hours remaining, 110.871094 MB of memory in use. ENERGY: 224800 672.3849 1873.5372 1975.1335 101.9183 -2.0096 -1084.1477 0.0000 0.0000 2709.2606 6246.0772 299.2454 3536.8166 6278.4197 301.4174 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: 889.52, 0.00395387/step Wall: 889.52, 0.00395387/step, 2.49863 hours remaining, 110.871094 MB of memory in use. ENERGY: 225000 647.3370 1822.3103 1980.3215 98.6339 -1.7647 -1098.3652 0.0000 0.0000 2731.8245 6180.2973 301.7376 3448.4728 6215.8096 299.2130 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: 890.309, 0.00394644/step Wall: 890.309, 0.00394644/step, 2.49371 hours remaining, 110.871094 MB of memory in use. ENERGY: 225200 660.3745 1832.5424 1991.6971 98.5743 -1.3641 -1107.5554 0.0000 0.0000 2709.0347 6183.3036 299.2204 3474.2689 6218.8564 296.3293 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: 891.1, 0.0039536/step Wall: 891.1, 0.0039536/step, 2.49802 hours remaining, 110.871094 MB of memory in use. ENERGY: 225400 671.4379 1861.1061 1992.3691 105.8109 -1.7482 -1110.1907 0.0000 0.0000 2713.6179 6232.4030 299.7267 3518.7851 6266.0894 297.7371 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: 891.89, 0.00395244/step Wall: 891.89, 0.00395244/step, 2.49706 hours remaining, 110.871094 MB of memory in use. ENERGY: 225600 683.8237 1888.7023 2006.0836 116.3260 -0.0864 -1104.7986 0.0000 0.0000 2690.0844 6280.1350 297.1273 3590.0506 6311.2673 299.4319 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: 892.681, 0.00395278/step Wall: 892.681, 0.00395278/step, 2.49706 hours remaining, 110.871094 MB of memory in use. ENERGY: 225800 691.9841 1896.2129 1994.4222 103.7922 -1.8677 -1073.6306 0.0000 0.0000 2699.3208 6310.2338 298.1475 3610.9130 6344.2645 301.6132 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: 893.471, 0.00395352/step Wall: 893.471, 0.00395352/step, 2.4973 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 226000 666.5238 1896.8529 1970.1233 109.6302 -2.0153 -1037.5228 0.0000 0.0000 2728.6707 6332.2628 301.3893 3603.5921 6365.2503 301.8599 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: 894.261, 0.00394686/step Wall: 894.261, 0.00394687/step, 2.49289 hours remaining, 110.871094 MB of memory in use. ENERGY: 226200 675.9948 1898.5438 2007.4672 113.2336 -0.8401 -1109.7187 0.0000 0.0000 2739.6642 6324.3447 302.6035 3584.6805 6356.0362 303.1384 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: 895.051, 0.00395316/step Wall: 895.051, 0.00395316/step, 2.49664 hours remaining, 110.871094 MB of memory in use. ENERGY: 226400 690.5363 1871.8310 2016.2124 122.6682 -0.6159 -1083.4988 0.0000 0.0000 2750.3424 6367.4756 303.7830 3617.1332 6399.4879 303.6126 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: 895.842, 0.00395247/step Wall: 895.842, 0.00395247/step, 2.49598 hours remaining, 110.871094 MB of memory in use. ENERGY: 226600 692.9410 1828.0086 2021.6402 119.8095 -0.7912 -1086.0391 0.0000 0.0000 2768.0361 6343.6050 305.7373 3575.5688 6378.1902 304.1742 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: 896.633, 0.00395337/step Wall: 896.633, 0.00395336/step, 2.49633 hours remaining, 110.871094 MB of memory in use. ENERGY: 226800 699.4871 1841.1579 1997.7476 111.5401 -1.8578 -1117.5263 0.0000 0.0000 2768.7111 6299.2597 305.8119 3530.5486 6330.7723 304.7634 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: 897.423, 0.00395372/step Wall: 897.423, 0.00395372/step, 2.49634 hours remaining, 110.871094 MB of memory in use. ENERGY: 227000 662.4538 1833.7415 1999.0296 111.6815 -2.0851 -1069.6361 0.0000 0.0000 2727.3816 6262.5668 301.2469 3535.1852 6297.1291 301.2669 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: 898.213, 0.00394653/step Wall: 898.213, 0.00394653/step, 2.49158 hours remaining, 110.871094 MB of memory in use. ENERGY: 227200 641.8260 1845.6339 1980.3635 105.6196 -2.0850 -1079.0151 0.0000 0.0000 2745.3185 6237.6614 303.2281 3492.3429 6272.7527 299.4095 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: 899.004, 0.00395786/step Wall: 899.004, 0.00395786/step, 2.49851 hours remaining, 110.871094 MB of memory in use. ENERGY: 227400 651.9111 1879.9154 2007.0867 106.7070 -2.1622 -1088.5890 0.0000 0.0000 2693.3355 6248.2046 297.4864 3554.8691 6280.3401 299.7737 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: 899.795, 0.00395403/step Wall: 899.795, 0.00395403/step, 2.49587 hours remaining, 110.871094 MB of memory in use. ENERGY: 227600 688.8935 1860.1555 1991.3884 104.1107 -1.2663 -1099.8710 0.0000 0.0000 2665.5276 6208.9384 294.4149 3543.4108 6239.0392 299.0458 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: 900.586, 0.00395402/step Wall: 900.586, 0.00395402/step, 2.49564 hours remaining, 110.871094 MB of memory in use. ENERGY: 227800 644.9895 1855.6130 1967.8477 103.8915 -1.1980 -1090.9050 0.0000 0.0000 2714.0402 6194.2789 299.7733 3480.2387 6228.3940 295.6420 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: 901.376, 0.00394892/step Wall: 901.376, 0.00394892/step, 2.49221 hours remaining, 110.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 228000 650.6600 1856.8632 1997.2104 103.8205 -1.7544 -1097.8964 0.0000 0.0000 2671.6321 6180.5352 295.0892 3508.9031 6217.0323 295.3736 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: 902.167, 0.00395517/step Wall: 902.167, 0.00395517/step, 2.49593 hours remaining, 110.871094 MB of memory in use. ENERGY: 228200 683.2829 1904.3175 1974.6346 113.9130 -2.0758 -1103.3684 0.0000 0.0000 2691.1800 6261.8838 297.2483 3570.7038 6291.4972 298.5085 LDB: ============= START OF LOAD BALANCING ============== 905.127 LDB: ============== END OF LOAD BALANCING =============== 905.127 LDB: =============== DONE WITH MIGRATION ================ 905.127 LDB: ============= START OF LOAD BALANCING ============== 905.523 LDB: ============== END OF LOAD BALANCING =============== 905.523 LDB: =============== DONE WITH MIGRATION ================ 905.523 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: 902.958, 0.00395846/step Wall: 902.958, 0.00395846/step, 2.49779 hours remaining, 110.878906 MB of memory in use. ENERGY: 228400 634.9355 1864.8218 1983.1926 110.4346 -2.8777 -1069.7342 0.0000 0.0000 2744.7072 6265.4799 303.1606 3520.7727 6303.4165 301.5684 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: 903.749, 0.00395534/step Wall: 903.749, 0.00395534/step, 2.4956 hours remaining, 110.878906 MB of memory in use. ENERGY: 228600 648.6004 1851.3797 2023.0719 123.2726 -1.4110 -1058.4072 0.0000 0.0000 2670.0136 6256.5199 294.9104 3586.5063 6289.3028 300.0472 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: 904.54, 0.00395478/step Wall: 904.54, 0.00395478/step, 2.49503 hours remaining, 110.878906 MB of memory in use. ENERGY: 228800 677.4109 1894.0080 1983.5550 114.8822 -2.6521 -1094.9839 0.0000 0.0000 2664.8699 6237.0899 294.3423 3572.2201 6268.7723 299.0203 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: 905.33, 0.00394823/step Wall: 905.33, 0.00394823/step, 2.49068 hours remaining, 110.878906 MB of memory in use. ENERGY: 229000 646.9345 1748.3480 2024.3686 108.3398 -0.3436 -1068.7056 0.0000 0.0000 2720.8335 6179.7751 300.5236 3458.9416 6216.7507 297.2721 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: 906.121, 0.00395618/step Wall: 906.121, 0.00395618/step, 2.49547 hours remaining, 110.878906 MB of memory in use. ENERGY: 229200 648.5804 1889.5627 2002.6335 101.6136 -1.6232 -1096.5275 0.0000 0.0000 2675.7325 6219.9719 295.5421 3544.2395 6253.1535 296.7030 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: 906.912, 0.00395626/step Wall: 906.912, 0.00395626/step, 2.4953 hours remaining, 110.878906 MB of memory in use. ENERGY: 229400 665.8267 1830.4033 2012.3197 117.3006 -1.1804 -1106.8291 0.0000 0.0000 2718.3636 6236.2045 300.2508 3517.8408 6266.6357 298.8101 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: 907.704, 0.00395527/step Wall: 907.704, 0.00395527/step, 2.49445 hours remaining, 110.878906 MB of memory in use. ENERGY: 229600 655.7544 1834.6924 1976.3128 102.7879 0.4166 -1063.9581 0.0000 0.0000 2696.5400 6202.5461 297.8404 3506.0061 6235.6928 298.5351 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: 908.494, 0.00395249/step Wall: 908.494, 0.00395249/step, 2.49248 hours remaining, 110.878906 MB of memory in use. ENERGY: 229800 646.6326 1856.2092 1994.9647 114.7149 -1.7180 -1085.9116 0.0000 0.0000 2631.4994 6156.3912 290.6564 3524.8918 6187.7485 295.3639 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: 909.284, 0.00394956/step Wall: 909.284, 0.00394956/step, 2.49042 hours remaining, 111.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 230000 613.9005 1840.9158 1973.0885 106.3259 0.2018 -1053.7184 0.0000 0.0000 2707.6953 6188.4095 299.0725 3480.7142 6222.8611 294.0003 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 230000 WRITING COORDINATES TO DCD FILE MD.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: 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: 910.123, 0.00419471/step Wall: 910.123, 0.00419471/step, 2.64476 hours remaining, 111.015625 MB of memory in use. ENERGY: 230200 676.4055 1818.3340 1992.9640 111.3518 -1.7765 -1087.1768 0.0000 0.0000 2667.0658 6177.1679 294.5848 3510.1021 6208.2933 295.8377 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: 910.914, 0.00395724/step Wall: 910.914, 0.00395724/step, 2.49482 hours remaining, 111.015625 MB of memory in use. ENERGY: 230400 665.4899 1848.3155 1998.3167 112.3629 -1.6245 -1070.4654 0.0000 0.0000 2660.1550 6212.5501 293.8215 3552.3950 6243.2692 296.9134 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: 911.706, 0.00395659/step Wall: 911.706, 0.00395659/step, 2.49419 hours remaining, 111.015625 MB of memory in use. ENERGY: 230600 617.5091 1841.0947 1981.4002 107.0908 -1.1101 -1081.5447 0.0000 0.0000 2736.2356 6200.6756 302.2248 3464.4400 6235.4156 298.1778 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: 912.497, 0.00395647/step Wall: 912.497, 0.00395647/step, 2.4939 hours remaining, 111.015625 MB of memory in use. ENERGY: 230800 672.2035 1820.7855 1987.3559 102.8895 -0.5905 -1082.0279 0.0000 0.0000 2652.0802 6152.6962 292.9296 3500.6160 6184.0883 295.6896 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: 913.287, 0.00394893/step Wall: 913.287, 0.00394892/step, 2.48892 hours remaining, 111.015625 MB of memory in use. ENERGY: 231000 651.2105 1819.6655 1968.9475 106.4269 0.0923 -1083.6774 0.0000 0.0000 2706.0068 6168.6720 298.8860 3462.6653 6205.4966 294.8959 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: 914.078, 0.00395517/step Wall: 914.078, 0.00395517/step, 2.49264 hours remaining, 111.015625 MB of memory in use. ENERGY: 231200 690.0087 1809.7632 1992.4848 117.3377 -0.0172 -1107.2324 0.0000 0.0000 2687.5531 6189.8979 296.8477 3502.3448 6224.3431 296.0224 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: 914.869, 0.00395432/step Wall: 914.869, 0.00395432/step, 2.49188 hours remaining, 111.015625 MB of memory in use. ENERGY: 231400 674.3142 1847.7488 1984.6028 115.8872 -0.8400 -1091.7150 0.0000 0.0000 2670.0813 6200.0792 294.9179 3529.9980 6233.0146 297.8638 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: 915.66, 0.0039554/step Wall: 915.66, 0.00395541/step, 2.49235 hours remaining, 111.015625 MB of memory in use. ENERGY: 231600 665.4000 1864.2523 1999.8009 108.8823 -1.1239 -1100.5379 0.0000 0.0000 2729.6389 6266.3126 301.4962 3536.6737 6298.2727 300.2554 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: 916.45, 0.00395308/step Wall: 916.45, 0.00395308/step, 2.49066 hours remaining, 111.015625 MB of memory in use. ENERGY: 231800 634.4316 1892.4995 1989.2289 112.3552 -1.5981 -1081.8827 0.0000 0.0000 2734.9463 6279.9807 302.0824 3545.0344 6313.4766 301.5805 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: 917.24, 0.00394686/step Wall: 917.24, 0.00394686/step, 2.48652 hours remaining, 111.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 232000 633.4788 1842.5590 2004.9418 116.7560 -0.6029 -1091.6715 0.0000 0.0000 2667.7778 6173.2390 294.6635 3505.4611 6205.9190 297.6757 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: 918.031, 0.00395668/step Wall: 918.031, 0.00395668/step, 2.49249 hours remaining, 111.015625 MB of memory in use. ENERGY: 232200 656.5502 1809.0039 2023.8427 105.0526 -0.3276 -1102.8630 0.0000 0.0000 2720.1308 6211.3895 300.4460 3491.2587 6243.2576 296.0512 LDB: ============= START OF LOAD BALANCING ============== 920.991 LDB: ============== END OF LOAD BALANCING =============== 920.991 LDB: =============== DONE WITH MIGRATION ================ 920.991 LDB: ============= START OF LOAD BALANCING ============== 921.387 LDB: ============== END OF LOAD BALANCING =============== 921.387 LDB: =============== DONE WITH MIGRATION ================ 921.387 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: 918.823, 0.00395839/step Wall: 918.823, 0.00395839/step, 2.49335 hours remaining, 111.015625 MB of memory in use. ENERGY: 232400 618.9741 1850.6489 2026.0454 110.6568 -2.6467 -1071.6008 0.0000 0.0000 2704.9538 6237.0316 298.7697 3532.0778 6271.9586 297.5369 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: 919.614, 0.00395443/step Wall: 919.614, 0.00395443/step, 2.49063 hours remaining, 111.015625 MB of memory in use. ENERGY: 232600 674.1162 1826.6907 2009.0765 109.3924 -0.2728 -1081.8646 0.0000 0.0000 2715.8530 6252.9914 299.9735 3537.1384 6285.4070 297.1326 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: 920.403, 0.00394574/step Wall: 920.403, 0.00394574/step, 2.48494 hours remaining, 111.015625 MB of memory in use. ENERGY: 232800 612.1301 1886.9526 2020.8530 105.2694 0.1031 -1064.2549 0.0000 0.0000 2689.7749 6250.8281 297.0931 3561.0532 6282.4490 298.4308 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: 921.193, 0.00395288/step Wall: 921.193, 0.00395288/step, 2.48922 hours remaining, 111.015625 MB of memory in use. ENERGY: 233000 665.7160 1798.1299 1999.0814 103.3066 -0.8600 -1102.5650 0.0000 0.0000 2762.5661 6225.3749 305.1331 3462.8088 6259.3024 298.4118 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: 921.984, 0.00395222/step Wall: 921.984, 0.00395221/step, 2.48857 hours remaining, 111.015625 MB of memory in use. ENERGY: 233200 647.3556 1820.9275 2021.1955 110.1093 -1.2597 -1075.8484 0.0000 0.0000 2684.8814 6207.3612 296.5526 3522.4799 6240.4483 297.3251 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: 922.774, 0.00395242/step Wall: 922.774, 0.00395243/step, 2.48849 hours remaining, 111.015625 MB of memory in use. ENERGY: 233400 665.2084 1835.3336 2033.3609 98.8837 -0.8471 -1096.5271 0.0000 0.0000 2682.5487 6217.9612 296.2950 3535.4125 6250.5131 297.2585 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: 923.565, 0.00395344/step Wall: 923.565, 0.00395344/step, 2.48891 hours remaining, 111.015625 MB of memory in use. ENERGY: 233600 608.5638 1849.4835 2007.9573 116.5345 -0.8822 -1094.6904 0.0000 0.0000 2665.2162 6152.1826 294.3805 3486.9664 6185.1969 296.9428 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: 924.354, 0.00394699/step Wall: 924.354, 0.00394699/step, 2.48463 hours remaining, 111.015625 MB of memory in use. ENERGY: 233800 649.4223 1839.4125 1987.5504 122.1999 -2.2372 -1099.9583 0.0000 0.0000 2671.7047 6168.0944 295.0972 3496.3896 6199.3328 295.2188 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: 925.145, 0.00395422/step Wall: 925.145, 0.00395422/step, 2.48896 hours remaining, 111.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 234000 644.5360 1813.0591 1982.0083 107.9722 0.6025 -1057.7049 0.0000 0.0000 2721.6598 6212.1331 300.6149 3490.4733 6244.9001 297.0454 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: 925.936, 0.00395462/step Wall: 925.936, 0.00395462/step, 2.48899 hours remaining, 111.019531 MB of memory in use. ENERGY: 234200 640.6723 1813.5294 2031.6514 101.0219 -2.1350 -1044.7236 0.0000 0.0000 2696.6745 6236.6910 297.8552 3540.0165 6270.2470 298.9888 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: 926.727, 0.00395405/step Wall: 926.727, 0.00395405/step, 2.48842 hours remaining, 111.019531 MB of memory in use. ENERGY: 234400 648.3280 1821.4706 2017.9986 97.1637 1.8667 -1086.8984 0.0000 0.0000 2729.0799 6229.0093 301.4345 3499.9293 6265.2399 299.4527 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: 927.518, 0.00395551/step Wall: 927.518, 0.00395551/step, 2.48911 hours remaining, 111.019531 MB of memory in use. ENERGY: 234600 637.8571 1895.5517 2001.7201 102.7308 0.2859 -1095.6324 0.0000 0.0000 2650.9376 6193.4508 292.8034 3542.5131 6226.7458 295.8432 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: 928.308, 0.0039477/step Wall: 928.308, 0.0039477/step, 2.48398 hours remaining, 111.019531 MB of memory in use. ENERGY: 234800 640.9405 1802.7768 2030.9066 121.4653 0.5803 -1091.1633 0.0000 0.0000 2693.5412 6199.0474 297.5091 3505.5062 6234.1968 294.9336 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: 929.099, 0.00395566/step Wall: 929.099, 0.00395566/step, 2.48877 hours remaining, 111.023438 MB of memory in use. ENERGY: 235000 662.4953 1843.0315 2010.3239 101.4446 -0.3550 -1103.6286 0.0000 0.0000 2674.8409 6188.1526 295.4436 3513.3117 6224.0184 295.5298 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: 929.889, 0.00395206/step Wall: 929.889, 0.00395206/step, 2.48628 hours remaining, 111.023438 MB of memory in use. ENERGY: 235200 624.0474 1859.7216 1975.9998 93.5238 -1.0323 -1032.0397 0.0000 0.0000 2675.5422 6195.7629 295.5211 3520.2206 6227.2103 296.3013 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: 930.68, 0.00395253/step Wall: 930.68, 0.00395253/step, 2.48636 hours remaining, 111.023438 MB of memory in use. ENERGY: 235400 668.8254 1802.7953 1991.2476 104.4762 -0.2042 -1081.5503 0.0000 0.0000 2675.1528 6160.7429 295.4781 3485.5900 6195.1275 295.6035 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: 931.47, 0.00395427/step Wall: 931.47, 0.00395427/step, 2.48724 hours remaining, 111.023438 MB of memory in use. ENERGY: 235600 632.8250 1877.4759 1987.9167 101.8723 -1.1947 -1086.8253 0.0000 0.0000 2649.4215 6161.4913 292.6360 3512.0698 6191.4871 294.7987 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: 932.26, 0.00394619/step Wall: 932.26, 0.00394619/step, 2.48193 hours remaining, 111.023438 MB of memory in use. ENERGY: 235800 644.7762 1856.6475 2006.4582 110.6533 1.2065 -1078.7883 0.0000 0.0000 2644.2250 6185.1783 292.0620 3540.9533 6216.7475 294.2220 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: 933.05, 0.00395388/step Wall: 933.05, 0.00395388/step, 2.48655 hours remaining, 111.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 236000 681.7485 1791.5312 2008.7538 103.5661 -0.2256 -1085.9057 0.0000 0.0000 2746.8748 6246.3430 303.4000 3499.4682 6281.3134 296.7097 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: 933.841, 0.00395398/step Wall: 933.841, 0.00395398/step, 2.4864 hours remaining, 111.023438 MB of memory in use. ENERGY: 236200 652.1460 1838.9819 2007.4657 118.6087 -1.0637 -1062.7264 0.0000 0.0000 2755.3166 6308.7286 304.3324 3553.4120 6342.7062 300.9725 LDB: ============= START OF LOAD BALANCING ============== 936.8 LDB: ============== END OF LOAD BALANCING =============== 936.8 LDB: =============== DONE WITH MIGRATION ================ 936.8 LDB: ============= START OF LOAD BALANCING ============== 937.197 LDB: ============== END OF LOAD BALANCING =============== 937.197 LDB: =============== DONE WITH MIGRATION ================ 937.197 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: 934.633, 0.00395856/step Wall: 934.633, 0.00395856/step, 2.48906 hours remaining, 111.023438 MB of memory in use. ENERGY: 236400 683.3122 1874.5123 1992.8826 131.5697 -0.2248 -1087.4180 0.0000 0.0000 2768.9706 6363.6047 305.8405 3594.6340 6398.0786 303.6036 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: 935.423, 0.00394799/step Wall: 935.423, 0.00394799/step, 2.48219 hours remaining, 111.023438 MB of memory in use. ENERGY: 236600 681.0977 1859.0000 2023.8786 108.5216 -1.5623 -1078.3160 0.0000 0.0000 2755.8911 6348.5107 304.3958 3592.6196 6381.9343 304.5454 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: 936.213, 0.00395337/step Wall: 936.213, 0.00395337/step, 2.48535 hours remaining, 111.023438 MB of memory in use. ENERGY: 236800 651.7161 1894.4551 2014.4982 100.3212 -1.8692 -1091.3679 0.0000 0.0000 2756.1935 6323.9470 304.4292 3567.7535 6358.7466 302.7060 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: 937.004, 0.00395433/step Wall: 937.004, 0.00395433/step, 2.48573 hours remaining, 111.023438 MB of memory in use. ENERGY: 237000 674.8823 1844.9270 2034.4317 124.0350 -0.7598 -1096.8249 0.0000 0.0000 2749.2256 6329.9168 303.6596 3580.6912 6367.1494 304.7132 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: 937.795, 0.00395538/step Wall: 937.795, 0.00395538/step, 2.48618 hours remaining, 111.023438 MB of memory in use. ENERGY: 237200 679.5153 1838.3670 2040.9590 111.9010 -0.8067 -1067.1952 0.0000 0.0000 2736.0980 6338.8385 302.2096 3602.7405 6373.5145 304.6846 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: 938.587, 0.00395851/step Wall: 938.587, 0.00395851/step, 2.48792 hours remaining, 111.023438 MB of memory in use. ENERGY: 237400 681.7251 1828.3049 2016.7972 109.1080 -1.6836 -1068.1619 0.0000 0.0000 2747.8939 6313.9836 303.5125 3566.0897 6345.4849 302.8496 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: 939.376, 0.00394672/step Wall: 939.376, 0.00394672/step, 2.48029 hours remaining, 111.023438 MB of memory in use. ENERGY: 237600 688.0940 1847.2910 2015.3634 104.1042 -0.5190 -1043.5096 0.0000 0.0000 2760.8231 6371.6470 304.9406 3610.8239 6404.4939 303.0015 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: 940.168, 0.00395949/step Wall: 940.168, 0.00395949/step, 2.4881 hours remaining, 111.023438 MB of memory in use. ENERGY: 237800 651.5695 1905.8302 2010.4519 121.6965 -0.8006 -1057.8616 0.0000 0.0000 2724.8443 6355.7301 300.9666 3630.8858 6385.9332 306.3157 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: 940.96, 0.00395944/step Wall: 940.96, 0.00395944/step, 2.48785 hours remaining, 111.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 238000 674.9582 1834.4091 1990.0524 112.4712 -1.2141 -1053.2494 0.0000 0.0000 2780.6025 6338.0300 307.1253 3557.4275 6373.1872 303.7459 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: 941.751, 0.00395682/step Wall: 941.751, 0.00395682/step, 2.48598 hours remaining, 111.023438 MB of memory in use. ENERGY: 238200 674.6505 1864.4590 2004.6500 104.9517 -1.4236 -1083.7038 0.0000 0.0000 2763.5881 6327.1720 305.2460 3563.5839 6360.9250 303.2871 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: 942.542, 0.00395347/step Wall: 942.542, 0.00395347/step, 2.48366 hours remaining, 111.023438 MB of memory in use. ENERGY: 238400 661.9289 1858.5560 1967.6710 106.5397 -1.3488 -1034.4306 0.0000 0.0000 2776.5731 6335.4891 306.6802 3558.9161 6366.5104 303.4679 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: 943.332, 0.00394794/step Wall: 943.332, 0.00394794/step, 2.47996 hours remaining, 111.023438 MB of memory in use. ENERGY: 238600 653.8345 1857.4803 2011.3054 106.1507 -1.5121 -1071.4485 0.0000 0.0000 2742.4493 6298.2596 302.9112 3555.8103 6331.8747 303.9342 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: 944.122, 0.00395275/step Wall: 944.122, 0.00395275/step, 2.48277 hours remaining, 111.023438 MB of memory in use. ENERGY: 238800 624.5591 1791.7781 1987.6075 101.6486 -1.5729 -1049.5833 0.0000 0.0000 2734.4452 6188.8823 302.0271 3454.4370 6222.9594 297.1254 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: 944.913, 0.00395187/step Wall: 944.913, 0.00395187/step, 2.482 hours remaining, 111.023438 MB of memory in use. ENERGY: 239000 662.1828 1845.3014 1986.2305 111.0125 -0.3049 -1044.1938 0.0000 0.0000 2707.8638 6268.0925 299.0911 3560.2286 6298.6251 297.3972 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: 945.703, 0.00395278/step Wall: 945.703, 0.00395278/step, 2.48235 hours remaining, 111.023438 MB of memory in use. ENERGY: 239200 632.6513 1858.7962 2004.9729 105.4364 -0.0322 -1047.4253 0.0000 0.0000 2710.2679 6264.6672 299.3566 3554.3993 6298.3097 299.0398 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: 946.494, 0.00395262/step Wall: 946.494, 0.00395262/step, 2.48202 hours remaining, 111.023438 MB of memory in use. ENERGY: 239400 640.6183 1821.6126 1983.2716 101.9573 -0.3541 -1035.2911 0.0000 0.0000 2752.5075 6264.3221 304.0221 3511.8146 6295.3417 299.9259 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: 947.283, 0.00394888/step Wall: 947.283, 0.00394888/step, 2.47946 hours remaining, 111.023438 MB of memory in use. ENERGY: 239600 667.9580 1908.7014 2008.6116 98.8617 -0.0701 -1070.7322 0.0000 0.0000 2638.8510 6252.1815 291.4684 3613.3305 6281.9050 299.6063 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: 948.074, 0.00395356/step Wall: 948.074, 0.00395356/step, 2.48218 hours remaining, 111.023438 MB of memory in use. ENERGY: 239800 671.7040 1875.8017 2016.8202 114.3232 -0.8535 -1056.3998 0.0000 0.0000 2660.8278 6282.2238 293.8958 3621.3960 6310.3104 301.2817 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: 948.865, 0.00395347/step Wall: 948.865, 0.00395347/step, 2.4819 hours remaining, 111.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 240000 654.9202 1873.8727 1995.4486 104.9469 -0.6100 -1027.2598 0.0000 0.0000 2709.7061 6311.0246 299.2946 3601.3185 6343.0721 301.1206 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 240000 WRITING COORDINATES TO DCD FILE MD.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: 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: 949.691, 0.00413196/step Wall: 949.691, 0.00413196/step, 2.59372 hours remaining, 111.023438 MB of memory in use. ENERGY: 240200 646.7174 1886.0621 1990.8605 108.0128 -1.2565 -1040.8984 0.0000 0.0000 2698.7150 6288.2129 298.0806 3589.4980 6321.0885 301.2992 LDB: ============= START OF LOAD BALANCING ============== 952.65 LDB: ============== END OF LOAD BALANCING =============== 952.65 LDB: =============== DONE WITH MIGRATION ================ 952.651 LDB: ============= START OF LOAD BALANCING ============== 953.046 LDB: ============== END OF LOAD BALANCING =============== 953.046 LDB: =============== DONE WITH MIGRATION ================ 953.046 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: 950.482, 0.0039545/step Wall: 950.482, 0.0039545/step, 2.4821 hours remaining, 111.023438 MB of memory in use. ENERGY: 240400 645.5133 1876.5237 1999.1010 109.2495 -0.9621 -1074.7728 0.0000 0.0000 2714.5936 6269.2461 299.8344 3554.6525 6302.1778 300.9339 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: 951.272, 0.00395031/step Wall: 951.272, 0.00395031/step, 2.47926 hours remaining, 111.023438 MB of memory in use. ENERGY: 240600 669.4536 1878.6493 2005.6514 103.3677 -1.1105 -1107.8719 0.0000 0.0000 2667.1518 6215.2915 294.5944 3548.1397 6247.4818 299.0229 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: 952.063, 0.00395208/step Wall: 952.063, 0.00395208/step, 2.48015 hours remaining, 111.023438 MB of memory in use. ENERGY: 240800 649.8456 1857.8331 2012.8984 109.4719 -0.6434 -1071.4108 0.0000 0.0000 2718.6075 6276.6022 300.2778 3557.9947 6308.5333 298.1568 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: 952.853, 0.00395182/step Wall: 952.853, 0.00395182/step, 2.47976 hours remaining, 111.023438 MB of memory in use. ENERGY: 241000 636.6205 1879.5564 2007.1274 110.1562 -1.2814 -1070.6122 0.0000 0.0000 2712.5674 6274.1343 299.6106 3561.5669 6306.1034 299.9498 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: 953.644, 0.00395281/step Wall: 953.644, 0.00395281/step, 2.48017 hours remaining, 111.023438 MB of memory in use. ENERGY: 241200 639.0040 1875.3758 2000.0521 113.5427 -0.4132 -1039.7661 0.0000 0.0000 2709.5289 6297.3243 299.2750 3587.7954 6328.6327 300.5046 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: 954.433, 0.00394926/step Wall: 954.433, 0.00394926/step, 2.47772 hours remaining, 111.023438 MB of memory in use. ENERGY: 241400 663.9662 1868.5533 1982.3620 108.5777 -1.0538 -1056.6273 0.0000 0.0000 2720.9821 6286.7601 300.5400 3565.7780 6321.2120 301.6384 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: 955.224, 0.00395406/step Wall: 955.224, 0.00395406/step, 2.48052 hours remaining, 111.023438 MB of memory in use. ENERGY: 241600 658.9202 1843.0992 1988.9935 97.5490 -2.7400 -1113.0695 0.0000 0.0000 2761.4455 6234.1979 305.0093 3472.7525 6267.9475 299.8427 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: 956.015, 0.00395263/step Wall: 956.015, 0.00395263/step, 2.4794 hours remaining, 111.023438 MB of memory in use. ENERGY: 241800 683.9969 1835.0573 1989.5831 108.4878 -2.1407 -1072.1161 0.0000 0.0000 2670.3671 6213.2354 294.9495 3542.8683 6244.8250 295.6992 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: 956.806, 0.00395409/step Wall: 956.806, 0.00395409/step, 2.48009 hours remaining, 111.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 242000 637.4069 1824.6933 1964.3001 108.7577 -2.8329 -1033.5714 0.0000 0.0000 2701.5155 6200.2692 298.3899 3498.7537 6232.1521 295.8507 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: 957.596, 0.00395414/step Wall: 957.596, 0.00395414/step, 2.4799 hours remaining, 111.023438 MB of memory in use. ENERGY: 242200 657.9642 1874.1433 1993.3723 113.6583 -1.6843 -1077.0209 0.0000 0.0000 2727.0591 6287.4920 301.2113 3560.4329 6318.6846 299.2889 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: 958.386, 0.00394817/step Wall: 958.386, 0.00394817/step, 2.47594 hours remaining, 111.023438 MB of memory in use. ENERGY: 242400 658.7924 1845.4403 1974.1906 114.0576 -2.7498 -1037.3679 0.0000 0.0000 2726.0135 6278.3767 301.0958 3552.3632 6310.6838 300.8033 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: 959.177, 0.00395674/step Wall: 959.177, 0.00395674/step, 2.48109 hours remaining, 111.023438 MB of memory in use. ENERGY: 242600 696.4529 1842.5040 2002.8153 97.7122 -1.8786 -1098.6460 0.0000 0.0000 2765.1645 6304.1244 305.4201 3538.9599 6338.2169 301.8173 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: 959.968, 0.00395335/step Wall: 959.968, 0.00395335/step, 2.47875 hours remaining, 111.023438 MB of memory in use. ENERGY: 242800 667.3623 1857.0698 1979.8451 108.6065 -2.1311 -1069.0078 0.0000 0.0000 2746.8418 6288.5866 303.3963 3541.7447 6319.6395 302.2977 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: 960.759, 0.00395436/step Wall: 960.759, 0.00395436/step, 2.47916 hours remaining, 111.023438 MB of memory in use. ENERGY: 243000 680.9847 1851.2238 2012.6807 110.0361 -0.9248 -1077.5799 0.0000 0.0000 2724.8444 6301.2651 300.9666 3576.4207 6332.2681 302.7943 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: 961.55, 0.00395401/step Wall: 961.55, 0.00395402/step, 2.47873 hours remaining, 111.027344 MB of memory in use. ENERGY: 243200 648.0475 1826.9878 1984.2508 106.0888 -1.5663 -1071.5409 0.0000 0.0000 2749.6459 6241.9135 303.7060 3492.2677 6278.2851 300.9151 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: 962.339, 0.0039474/step Wall: 962.339, 0.0039474/step, 2.47436 hours remaining, 111.031250 MB of memory in use. ENERGY: 243400 656.4991 1913.2147 2020.1765 102.4609 -1.1785 -1081.4355 0.0000 0.0000 2670.3109 6280.0481 294.9433 3609.7373 6309.4766 299.5598 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: 963.13, 0.00395405/step Wall: 963.13, 0.00395405/step, 2.47831 hours remaining, 111.039062 MB of memory in use. ENERGY: 243600 652.4107 1884.7867 2010.0466 108.7867 -1.9257 -1106.7632 0.0000 0.0000 2712.6205 6259.9623 299.6165 3547.3418 6290.9672 300.6898 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: 963.92, 0.00395207/step Wall: 963.92, 0.00395207/step, 2.47685 hours remaining, 111.039062 MB of memory in use. ENERGY: 243800 655.0782 1880.6470 1990.8317 117.2374 -1.6229 -1086.4985 0.0000 0.0000 2727.0877 6282.7606 301.2144 3555.6729 6314.8408 301.0083 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: 964.711, 0.00395216/step Wall: 964.711, 0.00395216/step, 2.47669 hours remaining, 111.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 244000 625.1594 1875.7014 1976.9504 115.6236 0.4376 -1042.5316 0.0000 0.0000 2777.4607 6328.8015 306.7783 3551.3408 6366.9298 300.8340 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: 965.5, 0.00394771/step Wall: 965.5, 0.00394771/step, 2.47368 hours remaining, 111.042969 MB of memory in use. ENERGY: 244200 626.9187 1864.9653 1966.0312 117.5409 -0.2805 -1055.7079 0.0000 0.0000 2743.8984 6263.3661 303.0712 3519.4677 6296.7870 300.9761 LDB: ============= START OF LOAD BALANCING ============== 968.46 LDB: ============== END OF LOAD BALANCING =============== 968.46 LDB: =============== DONE WITH MIGRATION ================ 968.46 LDB: ============= START OF LOAD BALANCING ============== 968.856 LDB: ============== END OF LOAD BALANCING =============== 968.856 LDB: =============== DONE WITH MIGRATION ================ 968.856 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: 966.291, 0.00395436/step Wall: 966.291, 0.00395436/step, 2.47763 hours remaining, 111.046875 MB of memory in use. ENERGY: 244400 661.5287 1847.3019 1991.2414 105.1853 -0.5497 -1051.1310 0.0000 0.0000 2747.7079 6301.2844 303.4920 3553.5765 6333.8635 301.2886 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: 967.082, 0.00395156/step Wall: 967.082, 0.00395156/step, 2.47565 hours remaining, 111.046875 MB of memory in use. ENERGY: 244600 664.4934 1867.6902 2036.7807 108.8452 -1.4466 -1064.8635 0.0000 0.0000 2679.4200 6290.9194 295.9494 3611.4994 6322.6263 302.4693 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: 967.872, 0.00395133/step Wall: 967.872, 0.00395133/step, 2.47529 hours remaining, 111.046875 MB of memory in use. ENERGY: 244800 660.0417 1843.9026 2032.4526 114.5683 -1.0664 -1074.5493 0.0000 0.0000 2720.5435 6295.8931 300.4916 3575.3496 6329.5878 303.4453 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: 968.662, 0.00395108/step Wall: 968.662, 0.00395108/step, 2.47492 hours remaining, 111.046875 MB of memory in use. ENERGY: 245000 667.6104 1841.6206 1978.5659 109.3180 -1.5422 -1042.6957 0.0000 0.0000 2726.9912 6279.8682 301.2038 3552.8770 6311.6928 299.4831 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: 969.451, 0.00394649/step Wall: 969.451, 0.00394649/step, 2.47182 hours remaining, 111.046875 MB of memory in use. ENERGY: 245200 657.6642 1876.6446 1999.1707 98.0422 -2.1551 -1066.3239 0.0000 0.0000 2674.9164 6237.9591 295.4520 3563.0427 6269.5038 299.3528 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: 970.242, 0.00395065/step Wall: 970.242, 0.00395065/step, 2.4742 hours remaining, 111.050781 MB of memory in use. ENERGY: 245400 653.3666 1859.4836 2008.9936 100.1362 -1.9403 -1092.2270 0.0000 0.0000 2736.7823 6264.5950 302.2852 3527.8126 6297.9079 297.6936 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: 971.032, 0.00395192/step Wall: 971.032, 0.00395192/step, 2.47478 hours remaining, 111.050781 MB of memory in use. ENERGY: 245600 636.7132 1876.0713 2006.1054 115.3851 -0.9954 -1080.9725 0.0000 0.0000 2709.7978 6262.1049 299.3047 3552.3070 6295.5985 299.5920 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: 971.822, 0.00395062/step Wall: 971.822, 0.00395062/step, 2.47375 hours remaining, 111.050781 MB of memory in use. ENERGY: 245800 663.9630 1845.5145 1971.4848 104.8598 -0.9512 -1052.9216 0.0000 0.0000 2729.9414 6261.8907 301.5296 3531.9493 6294.0699 300.3185 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: 972.612, 0.00395154/step Wall: 972.612, 0.00395154/step, 2.47411 hours remaining, 111.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 246000 664.7959 1828.5084 2009.6002 99.7969 0.4195 -1046.3686 0.0000 0.0000 2665.9881 6222.7404 294.4658 3556.7523 6256.0660 298.9223 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: 973.402, 0.00394664/step Wall: 973.402, 0.00394664/step, 2.47081 hours remaining, 111.054688 MB of memory in use. ENERGY: 246200 663.3986 1858.5104 1977.7723 99.3964 -0.5593 -1057.7106 0.0000 0.0000 2679.7377 6220.5455 295.9845 3540.8078 6253.7196 296.3960 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: 974.193, 0.00395451/step Wall: 974.193, 0.00395451/step, 2.47553 hours remaining, 111.054688 MB of memory in use. ENERGY: 246400 636.9091 1785.7661 1982.0075 103.2691 -2.1388 -1059.7177 0.0000 0.0000 2738.2841 6184.3794 302.4511 3446.0953 6219.6361 295.4718 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: 974.983, 0.00395222/step Wall: 974.983, 0.00395222/step, 2.47387 hours remaining, 111.062500 MB of memory in use. ENERGY: 246600 658.2581 1813.4050 2003.5740 93.6911 -0.9964 -1094.4068 0.0000 0.0000 2718.8004 6192.3255 300.2991 3473.5251 6230.6920 296.4842 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: 975.774, 0.00395444/step Wall: 975.774, 0.00395444/step, 2.47504 hours remaining, 111.062500 MB of memory in use. ENERGY: 246800 641.1508 1804.2064 1992.8418 108.9388 -1.9529 -1025.5467 0.0000 0.0000 2681.3919 6201.0301 296.1672 3519.6382 6232.4751 298.6594 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: 976.564, 0.00395242/step Wall: 976.564, 0.00395242/step, 2.47356 hours remaining, 111.062500 MB of memory in use. ENERGY: 247000 659.5538 1830.0728 1975.0806 91.8181 -0.6789 -1080.3831 0.0000 0.0000 2704.1036 6179.5669 298.6758 3475.4633 6213.8940 295.7275 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: 977.354, 0.00394703/step Wall: 977.354, 0.00394703/step, 2.46996 hours remaining, 111.062500 MB of memory in use. ENERGY: 247200 645.0352 1831.7772 2019.3088 109.1313 -1.2216 -1054.9486 0.0000 0.0000 2696.3697 6245.4519 297.8215 3549.0822 6278.7449 297.2328 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: 978.144, 0.00395064/step Wall: 978.144, 0.00395064/step, 2.47201 hours remaining, 111.062500 MB of memory in use. ENERGY: 247400 637.0209 1830.4725 1987.1337 102.9886 -2.3195 -1065.0594 0.0000 0.0000 2748.7632 6239.0001 303.6085 3490.2369 6274.4842 298.5266 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: 978.937, 0.00396321/step Wall: 978.937, 0.00396321/step, 2.47965 hours remaining, 111.062500 MB of memory in use. ENERGY: 247600 633.2141 1827.9498 2010.6607 104.9242 -2.1775 -1074.2605 0.0000 0.0000 2690.2070 6190.5178 297.1409 3500.3108 6225.5517 297.4636 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: 979.727, 0.00395174/step Wall: 979.727, 0.00395174/step, 2.47225 hours remaining, 111.062500 MB of memory in use. ENERGY: 247800 656.4959 1820.4322 1983.0717 101.9485 -0.8662 -1087.4279 0.0000 0.0000 2757.6253 6231.2795 304.5874 3473.6542 6264.7443 297.9200 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: 980.516, 0.00394561/step Wall: 980.516, 0.00394561/step, 2.4682 hours remaining, 111.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 248000 659.9795 1855.0051 1988.2410 109.6350 -1.4083 -1074.7570 0.0000 0.0000 2687.8079 6224.5033 296.8759 3536.6954 6256.3229 298.5713 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: 981.306, 0.00395194/step Wall: 981.306, 0.00395194/step, 2.47194 hours remaining, 111.074219 MB of memory in use. ENERGY: 248200 645.2053 1840.3994 2010.5850 110.9804 -1.7843 -1073.6685 0.0000 0.0000 2723.9407 6255.6580 300.8668 3531.7173 6287.3675 298.1001 LDB: ============= START OF LOAD BALANCING ============== 984.266 LDB: ============== END OF LOAD BALANCING =============== 984.266 LDB: =============== DONE WITH MIGRATION ================ 984.267 LDB: ============= START OF LOAD BALANCING ============== 984.662 LDB: ============== END OF LOAD BALANCING =============== 984.662 LDB: =============== DONE WITH MIGRATION ================ 984.662 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: 982.098, 0.00395548/step Wall: 982.098, 0.00395548/step, 2.47393 hours remaining, 111.074219 MB of memory in use. ENERGY: 248400 618.1738 1861.3665 2024.9267 111.0392 -2.1634 -1074.6510 0.0000 0.0000 2742.7938 6281.4855 302.9492 3538.6918 6315.2855 300.6900 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: 982.888, 0.00395193/step Wall: 982.888, 0.00395193/step, 2.47149 hours remaining, 111.074219 MB of memory in use. ENERGY: 248600 664.7757 1831.9396 2026.0820 107.3630 -0.8132 -1080.8871 0.0000 0.0000 2680.5308 6228.9908 296.0721 3548.4600 6264.3985 300.0882 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: 983.679, 0.00395395/step Wall: 983.679, 0.00395395/step, 2.47254 hours remaining, 111.078125 MB of memory in use. ENERGY: 248800 647.5036 1857.5207 1969.8274 109.8490 -0.9476 -1081.6207 0.0000 0.0000 2707.7822 6209.9145 299.0821 3502.1324 6240.6618 298.3472 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: 984.468, 0.00394716/step Wall: 984.468, 0.00394716/step, 2.46807 hours remaining, 111.078125 MB of memory in use. ENERGY: 249000 626.9531 1798.4510 1963.7016 107.6233 -0.4744 -1034.5895 0.0000 0.0000 2721.6528 6183.3180 300.6141 3461.6652 6214.9427 296.9229 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: 985.259, 0.00395355/step Wall: 985.259, 0.00395355/step, 2.47184 hours remaining, 111.078125 MB of memory in use. ENERGY: 249200 647.3094 1815.2998 1969.3453 90.6229 -0.7863 -1043.4480 0.0000 0.0000 2725.0652 6203.4083 300.9910 3478.3430 6237.4992 296.3823 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: 986.05, 0.0039536/step Wall: 986.05, 0.0039536/step, 2.47166 hours remaining, 111.078125 MB of memory in use. ENERGY: 249400 672.7251 1826.9221 2017.9434 113.4182 -1.7627 -1083.2538 0.0000 0.0000 2678.2543 6224.2466 295.8206 3545.9923 6257.2424 297.2383 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: 986.84, 0.00395322/step Wall: 986.84, 0.00395322/step, 2.4712 hours remaining, 111.078125 MB of memory in use. ENERGY: 249600 688.3142 1879.4963 2006.3568 101.1806 0.0137 -1089.6472 0.0000 0.0000 2696.5086 6282.2230 297.8369 3585.7143 6310.8766 299.5269 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: 987.631, 0.00395406/step Wall: 987.631, 0.00395406/step, 2.4715 hours remaining, 111.078125 MB of memory in use. ENERGY: 249800 698.8141 1923.2408 2005.8823 96.2746 -2.0671 -1095.8778 0.0000 0.0000 2702.8791 6329.1460 298.5405 3626.2669 6359.7331 303.2223 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: 988.421, 0.003948/step Wall: 988.421, 0.003948/step, 2.4675 hours remaining, 111.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 250000 634.3960 1878.7498 2022.2138 112.5540 -1.2454 -1077.3730 0.0000 0.0000 2757.3651 6326.6603 304.5587 3569.2952 6360.7003 303.9250 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 250000 WRITING COORDINATES TO DCD FILE MD.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: 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: 989.262, 0.00420749/step Wall: 989.262, 0.00420749/step, 2.62945 hours remaining, 111.179688 MB of memory in use. ENERGY: 250200 669.8672 1878.2836 2012.3804 113.5971 -1.3201 -1070.3889 0.0000 0.0000 2760.2768 6362.6961 304.8803 3602.4194 6393.8109 304.7535 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: 990.053, 0.00395367/step Wall: 990.053, 0.00395367/step, 2.4706 hours remaining, 111.179688 MB of memory in use. ENERGY: 250400 662.9913 1844.4532 2003.8078 115.9403 -1.9037 -1102.1246 0.0000 0.0000 2748.4839 6271.6481 303.5777 3523.1642 6304.8354 303.6204 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: 990.843, 0.00395269/step Wall: 990.843, 0.00395269/step, 2.46977 hours remaining, 111.179688 MB of memory in use. ENERGY: 250600 650.0296 1871.1786 2035.4032 117.1140 -1.7566 -1067.1356 0.0000 0.0000 2694.6462 6299.4793 297.6312 3604.8331 6329.3316 301.6100 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: 991.634, 0.00395322/step Wall: 991.634, 0.00395322/step, 2.46988 hours remaining, 111.183594 MB of memory in use. ENERGY: 250800 648.0048 1810.6115 2005.7811 112.1584 -1.7468 -1055.9331 0.0000 0.0000 2789.6044 6308.4802 308.1196 3518.8758 6345.2861 303.7482 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: 992.423, 0.00394607/step Wall: 992.423, 0.00394607/step, 2.4652 hours remaining, 111.187500 MB of memory in use. ENERGY: 251000 693.1931 1870.3184 1996.1075 104.0437 -1.4548 -1076.1005 0.0000 0.0000 2745.5982 6331.7055 303.2590 3586.1073 6365.5643 303.8186 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: 993.214, 0.00395466/step Wall: 993.214, 0.00395466/step, 2.47035 hours remaining, 111.187500 MB of memory in use. ENERGY: 251200 689.6501 1844.8971 1992.3205 98.8798 -1.4855 -1083.9723 0.0000 0.0000 2795.2326 6335.5222 308.7412 3540.2896 6369.7994 306.3051 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: 994.005, 0.00395311/step Wall: 994.005, 0.00395311/step, 2.46915 hours remaining, 111.187500 MB of memory in use. ENERGY: 251400 673.7745 1865.6761 1984.1625 103.4786 -2.4749 -1043.1865 0.0000 0.0000 2727.0770 6308.5072 301.2133 3581.4302 6340.7078 303.7427 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: 994.796, 0.00395458/step Wall: 994.796, 0.00395458/step, 2.46985 hours remaining, 111.187500 MB of memory in use. ENERGY: 251600 648.6228 1892.5836 1995.9374 105.6628 -1.5878 -1059.8978 0.0000 0.0000 2729.8907 6311.2117 301.5240 3581.3210 6344.5920 301.7451 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: 995.587, 0.00395483/step Wall: 995.587, 0.00395483/step, 2.46979 hours remaining, 111.191406 MB of memory in use. ENERGY: 251800 661.9375 1887.0727 2015.3736 106.5034 -0.6741 -1061.3645 0.0000 0.0000 2722.7252 6331.5739 300.7326 3608.8486 6363.7060 303.7871 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: 996.376, 0.00394587/step Wall: 996.376, 0.00394587/step, 2.46397 hours remaining, 111.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 252000 668.7062 1853.3001 2017.4783 117.4072 -1.5784 -1069.2018 0.0000 0.0000 2752.0898 6338.2013 303.9760 3586.1116 6371.0379 306.1668 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: 997.167, 0.00395368/step Wall: 997.167, 0.00395368/step, 2.46863 hours remaining, 111.191406 MB of memory in use. ENERGY: 252200 657.2539 1862.6319 2007.0048 113.5262 -2.4997 -1029.8799 0.0000 0.0000 2752.6687 6360.7059 304.0399 3608.0372 6396.8015 305.3949 LDB: ============= START OF LOAD BALANCING ============== 1000.13 LDB: ============== END OF LOAD BALANCING =============== 1000.13 LDB: =============== DONE WITH MIGRATION ================ 1000.13 LDB: ============= START OF LOAD BALANCING ============== 1000.52 LDB: ============== END OF LOAD BALANCING =============== 1000.52 LDB: =============== DONE WITH MIGRATION ================ 1000.52 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: 997.958, 0.00395791/step Wall: 997.958, 0.00395791/step, 2.47106 hours remaining, 111.191406 MB of memory in use. ENERGY: 252400 640.3037 1912.1654 2000.6440 117.7374 -2.8340 -1074.8295 0.0000 0.0000 2723.4130 6316.5999 300.8085 3593.1869 6349.1578 303.1034 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: 998.749, 0.00395442/step Wall: 998.749, 0.00395442/step, 2.46866 hours remaining, 111.191406 MB of memory in use. ENERGY: 252600 669.0687 1870.3853 1971.2501 109.1107 -1.5095 -1061.3500 0.0000 0.0000 2719.8142 6276.7696 300.4111 3556.9553 6309.8458 302.0299 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: 999.539, 0.0039476/step Wall: 999.539, 0.0039476/step, 2.46418 hours remaining, 111.191406 MB of memory in use. ENERGY: 252800 647.4120 1842.2647 1980.4126 111.6646 -1.4468 -1058.8766 0.0000 0.0000 2693.1222 6214.5526 297.4628 3521.4304 6246.7318 299.1405 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: 1000.33, 0.00395872/step Wall: 1000.33, 0.00395872/step, 2.4709 hours remaining, 111.191406 MB of memory in use. ENERGY: 253000 650.2204 1830.8662 1975.5955 100.9548 -2.1922 -1079.8982 0.0000 0.0000 2695.8008 6171.3473 297.7587 3475.5465 6205.5562 296.9264 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: 1001.12, 0.00395861/step Wall: 1001.12, 0.00395862/step, 2.47062 hours remaining, 111.195312 MB of memory in use. ENERGY: 253200 690.8089 1746.3262 2006.7567 109.6942 -1.3335 -1087.3041 0.0000 0.0000 2720.3596 6185.3080 300.4713 3464.9484 6220.3419 295.9309 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: 1001.91, 0.00395607/step Wall: 1001.91, 0.00395607/step, 2.46881 hours remaining, 111.195312 MB of memory in use. ENERGY: 253400 640.2580 1880.8270 1986.4147 99.1810 -1.2181 -1077.1524 0.0000 0.0000 2651.7430 6180.0531 292.8924 3528.3102 6213.5955 297.7996 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: 1002.7, 0.00395305/step Wall: 1002.7, 0.00395305/step, 2.4667 hours remaining, 111.195312 MB of memory in use. ENERGY: 253600 637.7216 1865.9442 1996.7356 109.0683 -0.7957 -1096.4435 0.0000 0.0000 2667.6248 6179.8554 294.6466 3512.2305 6211.4313 296.5375 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: 1003.49, 0.00394747/step Wall: 1003.49, 0.00394747/step, 2.463 hours remaining, 111.195312 MB of memory in use. ENERGY: 253800 665.3026 1808.2563 1989.3468 97.1822 -1.9441 -1088.9864 0.0000 0.0000 2765.1717 6234.3290 305.4209 3469.1573 6270.6919 298.3146 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: 1004.28, 0.00395455/step Wall: 1004.28, 0.00395455/step, 2.4672 hours remaining, 111.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 254000 651.6900 1848.1159 2003.4094 124.6901 -3.3941 -1090.2886 0.0000 0.0000 2778.6561 6312.8787 306.9103 3534.2226 6344.7580 303.0381 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: 1005.08, 0.0039553/step Wall: 1005.08, 0.0039553/step, 2.46745 hours remaining, 111.195312 MB of memory in use. ENERGY: 254200 671.5734 1802.3657 1995.9027 115.6775 -1.0562 -1083.2575 0.0000 0.0000 2818.9027 6320.1083 311.3557 3501.2056 6357.2176 304.7081 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: 1005.87, 0.00395568/step Wall: 1005.87, 0.00395568/step, 2.46746 hours remaining, 111.195312 MB of memory in use. ENERGY: 254400 667.1958 1823.8285 1993.3262 111.6576 -0.5003 -1088.3921 0.0000 0.0000 2771.1756 6278.2913 306.0841 3507.1157 6309.4940 302.7379 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: 1006.66, 0.00395382/step Wall: 1006.66, 0.00395382/step, 2.46608 hours remaining, 111.195312 MB of memory in use. ENERGY: 254600 659.4530 1871.8259 1997.1218 110.7333 -2.0819 -1120.9561 0.0000 0.0000 2714.6469 6230.7429 299.8403 3516.0960 6263.8623 300.9180 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: 1007.45, 0.00394746/step Wall: 1007.45, 0.00394746/step, 2.4619 hours remaining, 111.195312 MB of memory in use. ENERGY: 254800 632.9062 1836.8615 1989.9849 110.8444 -2.4005 -1042.4333 0.0000 0.0000 2692.3655 6218.1286 297.3793 3525.7631 6252.9643 299.1195 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: 1008.24, 0.00395473/step Wall: 1008.24, 0.00395473/step, 2.46622 hours remaining, 111.195312 MB of memory in use. ENERGY: 255000 680.1003 1897.9867 2011.2738 109.0675 -1.4315 -1070.8610 0.0000 0.0000 2593.9195 6220.0553 286.5056 3626.1358 6247.9704 296.5396 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: 1009.03, 0.00395465/step Wall: 1009.03, 0.00395465/step, 2.46594 hours remaining, 111.195312 MB of memory in use. ENERGY: 255200 623.0192 1923.3400 1987.4278 116.2717 -2.0151 -1096.2343 0.0000 0.0000 2699.5744 6251.3837 298.1755 3551.8093 6281.3829 298.0503 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: 1009.82, 0.00395368/step Wall: 1009.82, 0.00395368/step, 2.46512 hours remaining, 111.195312 MB of memory in use. ENERGY: 255400 667.0186 1863.9717 1999.1833 121.0743 -1.6158 -1075.6506 0.0000 0.0000 2714.4691 6288.4505 299.8207 3573.9815 6323.6130 299.5248 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: 1010.61, 0.00395499/step Wall: 1010.61, 0.00395499/step, 2.46572 hours remaining, 111.195312 MB of memory in use. ENERGY: 255600 690.9555 1864.0140 2005.9926 104.3661 -0.8922 -1086.7978 0.0000 0.0000 2691.7491 6269.3873 297.3112 3577.6381 6302.8347 299.5596 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: 1011.4, 0.00394856/step Wall: 1011.4, 0.00394856/step, 2.46149 hours remaining, 111.195312 MB of memory in use. ENERGY: 255800 680.7611 1868.9563 1988.8579 110.9202 -2.4270 -1071.5887 0.0000 0.0000 2712.5185 6287.9983 299.6052 3575.4798 6319.2868 301.4572 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: 1012.19, 0.00395422/step Wall: 1012.19, 0.00395422/step, 2.4648 hours remaining, 111.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 256000 719.9094 1853.8316 2000.3583 115.5133 -1.2112 -1107.9287 0.0000 0.0000 2731.2364 6311.7090 301.6727 3580.4726 6348.7706 302.1405 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: 1012.98, 0.00395393/step Wall: 1012.98, 0.00395393/step, 2.4644 hours remaining, 111.195312 MB of memory in use. ENERGY: 256200 634.3603 1888.3575 2027.0894 117.6842 -3.1652 -1094.0402 0.0000 0.0000 2718.4222 6288.7083 300.2573 3570.2861 6321.6337 303.7645 LDB: ============= START OF LOAD BALANCING ============== 1015.94 LDB: ============== END OF LOAD BALANCING =============== 1015.94 LDB: =============== DONE WITH MIGRATION ================ 1015.94 LDB: ============= START OF LOAD BALANCING ============== 1016.34 LDB: ============== END OF LOAD BALANCING =============== 1016.34 LDB: =============== DONE WITH MIGRATION ================ 1016.34 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: 1013.77, 0.00395742/step Wall: 1013.77, 0.00395742/step, 2.46635 hours remaining, 111.195312 MB of memory in use. ENERGY: 256400 695.8839 1864.6558 1979.9857 112.1219 -3.7683 -1088.1190 0.0000 0.0000 2704.4392 6265.1993 298.7128 3560.7600 6296.4855 302.2083 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: 1014.56, 0.0039467/step Wall: 1014.56, 0.0039467/step, 2.45945 hours remaining, 111.195312 MB of memory in use. ENERGY: 256600 685.2855 1847.9232 1987.2279 105.4772 -0.6361 -1080.2537 0.0000 0.0000 2783.3042 6328.3281 307.4237 3545.0239 6362.3267 303.4530 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: 1015.35, 0.00395525/step Wall: 1015.35, 0.00395525/step, 2.46456 hours remaining, 111.195312 MB of memory in use. ENERGY: 256800 659.8630 1858.2763 1991.8018 112.0299 -1.6150 -1063.5386 0.0000 0.0000 2679.4985 6236.3158 295.9581 3556.8173 6267.5412 300.9467 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: 1016.14, 0.00395496/step Wall: 1016.14, 0.00395496/step, 2.46416 hours remaining, 111.199219 MB of memory in use. ENERGY: 257000 660.8477 1817.3394 2004.5181 106.0591 -0.7167 -1078.7720 0.0000 0.0000 2745.7406 6255.0161 303.2747 3509.2755 6287.0320 301.6203 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: 1016.94, 0.00395311/step Wall: 1016.94, 0.00395311/step, 2.46278 hours remaining, 111.199219 MB of memory in use. ENERGY: 257200 656.2651 1851.0985 1996.5810 103.5922 -1.7690 -1090.7272 0.0000 0.0000 2752.8065 6267.8472 304.0551 3515.0407 6301.6346 301.2799 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: 1017.73, 0.00395382/step Wall: 1017.73, 0.00395382/step, 2.46301 hours remaining, 111.199219 MB of memory in use. ENERGY: 257400 695.2649 1882.7837 2019.0277 101.6256 -0.9968 -1091.8773 0.0000 0.0000 2669.0403 6274.8681 294.8029 3605.8278 6307.5087 301.8370 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: 1018.52, 0.00394749/step Wall: 1018.52, 0.0039475/step, 2.45885 hours remaining, 111.199219 MB of memory in use. ENERGY: 257600 671.2590 1885.4544 1975.8624 111.0936 -1.2987 -1079.3022 0.0000 0.0000 2720.3297 6283.3983 300.4680 3563.0686 6315.9503 300.1556 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: 1019.31, 0.00396891/step Wall: 1019.31, 0.00396891/step, 2.47197 hours remaining, 111.199219 MB of memory in use. ENERGY: 257800 668.6548 1864.5989 1990.3304 115.2935 -0.8455 -1080.3427 0.0000 0.0000 2698.4012 6256.0905 298.0459 3557.6893 6285.1919 299.7641 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: 1020.1, 0.00395351/step Wall: 1020.1, 0.00395351/step, 2.46216 hours remaining, 111.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 258000 665.8925 1862.2712 2010.3395 118.9441 -2.7128 -1101.3268 0.0000 0.0000 2766.7247 6320.1323 305.5924 3553.4076 6352.0923 303.1733 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: 1020.89, 0.00395254/step Wall: 1020.89, 0.00395254/step, 2.46134 hours remaining, 111.199219 MB of memory in use. ENERGY: 258200 628.3202 1913.5736 2028.5326 109.4249 -1.0788 -1091.7791 0.0000 0.0000 2745.6538 6332.6470 303.2651 3586.9932 6364.3692 305.1440 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: 1021.68, 0.00395159/step Wall: 1021.68, 0.00395159/step, 2.46053 hours remaining, 111.199219 MB of memory in use. ENERGY: 258400 675.0988 1850.0288 2000.4279 103.2870 -1.2416 -1059.1101 0.0000 0.0000 2718.8910 6287.3818 300.3091 3568.4908 6322.2757 303.1519 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: 1022.47, 0.00394637/step Wall: 1022.47, 0.00394637/step, 2.45706 hours remaining, 111.203125 MB of memory in use. ENERGY: 258600 655.6984 1885.6996 1999.5999 108.6205 -1.4687 -1046.6001 0.0000 0.0000 2739.2838 6340.8334 302.5615 3601.5495 6373.3416 302.9169 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: 1023.26, 0.00395202/step Wall: 1023.26, 0.00395202/step, 2.46035 hours remaining, 111.203125 MB of memory in use. ENERGY: 258800 684.1530 1866.4962 1979.3455 122.2798 -1.8602 -1104.0908 0.0000 0.0000 2704.7914 6251.1148 298.7517 3546.3235 6286.2371 301.4755 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: 1024.05, 0.00395324/step Wall: 1024.05, 0.00395324/step, 2.46089 hours remaining, 111.203125 MB of memory in use. ENERGY: 259000 678.8379 1793.9657 1994.8423 101.7788 -2.5079 -1073.7444 0.0000 0.0000 2709.3401 6202.5124 299.2542 3493.1724 6235.2707 298.4954 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: 1024.84, 0.00395283/step Wall: 1024.84, 0.00395283/step, 2.46042 hours remaining, 111.203125 MB of memory in use. ENERGY: 259200 633.6579 1875.8558 1971.2611 92.1493 -0.8513 -1083.9345 0.0000 0.0000 2696.3298 6184.4682 297.8171 3488.1383 6219.0108 296.0890 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: 1025.63, 0.00394938/step Wall: 1025.63, 0.00394938/step, 2.45805 hours remaining, 111.203125 MB of memory in use. ENERGY: 259400 660.0312 1848.8589 1980.1107 112.6013 -1.1496 -1077.9568 0.0000 0.0000 2680.2545 6202.7501 296.0416 3522.4957 6237.2567 297.5755 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: 1026.42, 0.0039532/step Wall: 1026.42, 0.0039532/step, 2.46021 hours remaining, 111.203125 MB of memory in use. ENERGY: 259600 689.5324 1827.4332 1991.1118 97.6163 -0.8575 -1057.8000 0.0000 0.0000 2650.1223 6197.1585 292.7134 3547.0362 6230.5385 296.3712 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: 1027.21, 0.0039537/step Wall: 1027.21, 0.0039537/step, 2.4603 hours remaining, 111.203125 MB of memory in use. ENERGY: 259800 667.6108 1841.7632 2007.6194 96.6648 -1.3135 -1046.2804 0.0000 0.0000 2653.0543 6219.1184 293.0372 3566.0642 6251.4126 295.9313 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: 1028, 0.00395281/step Wall: 1028, 0.00395281/step, 2.45953 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 260000 665.9633 1823.9914 2000.5883 100.9008 -0.4944 -1055.4121 0.0000 0.0000 2670.1606 6205.6979 294.9267 3535.5373 6237.8044 298.0955 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 260000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1028.83, 0.00413989/step Wall: 1028.83, 0.00413989/step, 2.5757 hours remaining, 111.296875 MB of memory in use. ENERGY: 260200 667.7411 1818.6911 2003.5395 104.8526 -1.9612 -1067.4205 0.0000 0.0000 2666.4060 6191.8485 294.5120 3525.4425 6225.3235 296.7763 LDB: ============= START OF LOAD BALANCING ============== 1031.79 LDB: ============== END OF LOAD BALANCING =============== 1031.79 LDB: =============== DONE WITH MIGRATION ================ 1031.79 LDB: ============= START OF LOAD BALANCING ============== 1032.19 LDB: ============== END OF LOAD BALANCING =============== 1032.19 LDB: =============== DONE WITH MIGRATION ================ 1032.19 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: 1029.62, 0.00395386/step Wall: 1029.62, 0.00395386/step, 2.45974 hours remaining, 111.296875 MB of memory in use. ENERGY: 260400 664.8405 1833.1866 1990.9590 102.0518 -1.5549 -1086.8815 0.0000 0.0000 2691.8920 6194.4935 297.3270 3502.6015 6227.8785 295.2649 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: 1030.41, 0.00395314/step Wall: 1030.41, 0.00395314/step, 2.45907 hours remaining, 111.296875 MB of memory in use. ENERGY: 260600 648.9414 1852.5634 1995.8875 100.8179 -0.7721 -1079.3735 0.0000 0.0000 2721.4487 6239.5132 300.5916 3518.0645 6273.7724 298.1884 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: 1031.2, 0.00395401/step Wall: 1031.2, 0.00395401/step, 2.4594 hours remaining, 111.296875 MB of memory in use. ENERGY: 260800 617.9526 1849.4143 1988.6390 105.3511 -2.2500 -1089.5415 0.0000 0.0000 2734.7459 6204.3114 302.0603 3469.5655 6239.2333 298.6875 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: 1031.99, 0.00395292/step Wall: 1031.99, 0.00395292/step, 2.45849 hours remaining, 111.296875 MB of memory in use. ENERGY: 261000 638.2359 1833.2126 1986.5807 120.4937 -2.3084 -1050.6204 0.0000 0.0000 2703.4264 6229.0205 298.6010 3525.5941 6262.7875 298.1701 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: 1032.79, 0.00395412/step Wall: 1032.79, 0.00395412/step, 2.45902 hours remaining, 111.296875 MB of memory in use. ENERGY: 261200 671.4494 1840.1705 1987.6448 98.2404 -2.7663 -1061.5228 0.0000 0.0000 2711.2464 6244.4625 299.4647 3533.2161 6278.3654 298.4409 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: 1033.57, 0.00394774/step Wall: 1033.57, 0.00394774/step, 2.45484 hours remaining, 111.296875 MB of memory in use. ENERGY: 261400 651.0941 1825.7302 1969.1365 120.1957 -2.1059 -1050.6253 0.0000 0.0000 2699.9653 6213.3906 298.2187 3513.4253 6243.0835 296.8465 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: 1034.36, 0.00395105/step Wall: 1034.36, 0.00395105/step, 2.45668 hours remaining, 111.296875 MB of memory in use. ENERGY: 261600 619.9195 1800.6723 1996.6956 100.1785 -1.4176 -1058.0299 0.0000 0.0000 2734.6320 6192.6504 302.0477 3458.0184 6227.8710 298.8601 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: 1035.16, 0.00395296/step Wall: 1035.16, 0.00395296/step, 2.45764 hours remaining, 111.296875 MB of memory in use. ENERGY: 261800 661.0520 1821.1582 1997.2133 99.0627 -1.3763 -1107.7822 0.0000 0.0000 2685.8105 6155.1382 296.6553 3469.3276 6187.9324 295.5510 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: 1035.95, 0.00395181/step Wall: 1035.95, 0.00395181/step, 2.45671 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 262000 649.8559 1844.0737 1970.2182 116.8395 -0.5978 -1090.3994 0.0000 0.0000 2653.4438 6143.4339 293.0803 3489.9901 6173.9788 294.9545 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: 1036.74, 0.00395275/step Wall: 1036.74, 0.00395275/step, 2.45707 hours remaining, 111.296875 MB of memory in use. ENERGY: 262200 632.0059 1786.1261 2010.0010 100.7240 -2.4650 -1100.4880 0.0000 0.0000 2694.7952 6120.6991 297.6476 3425.9039 6157.0109 294.3915 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: 1037.53, 0.00394744/step Wall: 1037.53, 0.00394744/step, 2.45355 hours remaining, 111.296875 MB of memory in use. ENERGY: 262400 635.1631 1799.3139 1991.4407 99.9022 -0.8781 -1079.4326 0.0000 0.0000 2705.9540 6151.4632 298.8802 3445.5092 6185.0814 292.9741 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: 1038.32, 0.00395271/step Wall: 1038.32, 0.00395271/step, 2.45661 hours remaining, 111.296875 MB of memory in use. ENERGY: 262600 634.6781 1809.2765 2004.2425 103.4769 0.2604 -1053.3870 0.0000 0.0000 2693.4736 6192.0209 297.5017 3498.5473 6226.0382 297.5290 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: 1039.11, 0.00395312/step Wall: 1039.11, 0.00395312/step, 2.45665 hours remaining, 111.296875 MB of memory in use. ENERGY: 262800 636.4142 1867.0703 2005.8316 104.0963 -1.8125 -1075.4404 0.0000 0.0000 2680.9492 6217.1088 296.1183 3536.1596 6249.6059 297.0342 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: 1039.9, 0.00395118/step Wall: 1039.9, 0.00395118/step, 2.45522 hours remaining, 111.296875 MB of memory in use. ENERGY: 263000 651.8907 1831.8036 2007.2796 114.4221 -0.7152 -1064.1272 0.0000 0.0000 2715.8111 6256.3648 299.9689 3540.5537 6288.4281 297.9416 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: 1040.69, 0.00395342/step Wall: 1040.69, 0.00395342/step, 2.45639 hours remaining, 111.296875 MB of memory in use. ENERGY: 263200 630.4015 1862.4656 1987.3526 99.4819 -2.0302 -1062.4663 0.0000 0.0000 2721.3814 6236.5865 300.5842 3515.2051 6274.1535 300.5476 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: 1041.48, 0.00394832/step Wall: 1041.48, 0.00394832/step, 2.453 hours remaining, 111.296875 MB of memory in use. ENERGY: 263400 672.8379 1887.0013 1981.7412 106.2382 -2.4328 -1074.7499 0.0000 0.0000 2721.7792 6292.4153 300.6281 3570.6361 6322.1953 300.8898 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: 1042.27, 0.00395548/step Wall: 1042.27, 0.00395548/step, 2.45723 hours remaining, 111.296875 MB of memory in use. ENERGY: 263600 656.9359 1883.3328 2018.5241 106.8911 -1.2728 -1034.9173 0.0000 0.0000 2719.0747 6348.5686 300.3294 3629.4939 6379.7612 304.8302 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: 1043.06, 0.00395274/step Wall: 1043.06, 0.00395274/step, 2.45531 hours remaining, 111.296875 MB of memory in use. ENERGY: 263800 671.0951 1865.3967 2021.1914 120.8637 -0.7216 -1055.2633 0.0000 0.0000 2741.4534 6364.0154 302.8012 3622.5620 6394.6028 304.8296 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: 1043.85, 0.00395233/step Wall: 1043.85, 0.00395233/step, 2.45483 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 264000 664.5468 1869.2863 2004.4382 101.5509 -1.5918 -1075.3853 0.0000 0.0000 2779.1941 6342.0392 306.9697 3562.8451 6376.3545 305.1193 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: 1044.64, 0.00394784/step Wall: 1044.64, 0.00394784/step, 2.45183 hours remaining, 111.296875 MB of memory in use. ENERGY: 264200 658.7109 1840.8970 1991.8220 102.2147 -1.9228 -1062.3466 0.0000 0.0000 2785.0228 6314.3980 307.6135 3529.3752 6347.9380 303.1427 LDB: ============= START OF LOAD BALANCING ============== 1047.6 LDB: ============== END OF LOAD BALANCING =============== 1047.6 LDB: =============== DONE WITH MIGRATION ================ 1047.6 LDB: ============= START OF LOAD BALANCING ============== 1048 LDB: ============== END OF LOAD BALANCING =============== 1048 LDB: =============== DONE WITH MIGRATION ================ 1048 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: 1045.43, 0.00395895/step Wall: 1045.43, 0.00395895/step, 2.45851 hours remaining, 111.296875 MB of memory in use. ENERGY: 264400 653.0188 1834.9353 2014.0718 102.0511 -1.7011 -1049.8314 0.0000 0.0000 2778.5688 6331.1132 306.9007 3552.5444 6365.3281 305.0440 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: 1046.22, 0.00395342/step Wall: 1046.22, 0.00395342/step, 2.45485 hours remaining, 111.296875 MB of memory in use. ENERGY: 264600 685.7162 1822.6425 1995.2795 96.6742 -1.0462 -1028.8231 0.0000 0.0000 2748.5379 6318.9810 303.5837 3570.4432 6354.7650 304.3283 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: 1047.01, 0.00395271/step Wall: 1047.01, 0.00395271/step, 2.4542 hours remaining, 111.296875 MB of memory in use. ENERGY: 264800 638.4974 1886.6289 1993.2545 111.0167 -0.6594 -1061.9205 0.0000 0.0000 2724.4613 6291.2789 300.9243 3566.8176 6325.7723 302.5504 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: 1047.8, 0.00395251/step Wall: 1047.8, 0.00395251/step, 2.45385 hours remaining, 111.296875 MB of memory in use. ENERGY: 265000 674.5283 1876.3081 1980.3075 101.8327 -1.0757 -1079.1813 0.0000 0.0000 2708.6537 6261.3734 299.1784 3552.7197 6294.2004 300.5134 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: 1048.59, 0.00394725/step Wall: 1048.59, 0.00394725/step, 2.45037 hours remaining, 111.296875 MB of memory in use. ENERGY: 265200 659.1974 1860.5068 1980.2532 105.5812 -1.0925 -1066.9077 0.0000 0.0000 2765.9843 6303.5226 305.5107 3537.5384 6337.6489 302.0848 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: 1049.38, 0.00395442/step Wall: 1049.38, 0.00395442/step, 2.45459 hours remaining, 111.296875 MB of memory in use. ENERGY: 265400 689.4507 1820.8444 2000.8856 113.1845 -0.6555 -1055.6552 0.0000 0.0000 2719.4228 6287.4772 300.3678 3568.0544 6320.7078 303.1800 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: 1050.17, 0.00395329/step Wall: 1050.17, 0.00395329/step, 2.45368 hours remaining, 111.296875 MB of memory in use. ENERGY: 265600 653.0951 1854.2298 1970.4112 110.2428 -1.3439 -1079.8648 0.0000 0.0000 2747.7947 6254.5649 303.5016 3506.7702 6285.1525 301.5222 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: 1050.96, 0.00395432/step Wall: 1050.96, 0.00395432/step, 2.45409 hours remaining, 111.296875 MB of memory in use. ENERGY: 265800 657.8386 1826.1024 2013.7463 115.6480 -1.3087 -1099.7458 0.0000 0.0000 2735.4495 6247.7305 302.1380 3512.2809 6283.3562 301.7776 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: 1051.76, 0.00395524/step Wall: 1051.76, 0.00395524/step, 2.45444 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 266000 667.0862 1865.1647 1995.1561 119.2658 -1.8383 -1065.0171 0.0000 0.0000 2721.5372 6301.3546 300.6014 3579.8174 6333.5668 302.0971 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: 1052.54, 0.00394673/step Wall: 1052.54, 0.00394673/step, 2.44895 hours remaining, 111.296875 MB of memory in use. ENERGY: 266200 668.8197 1858.6683 1977.8981 104.5128 -1.5847 -1056.1329 0.0000 0.0000 2695.9626 6248.1438 297.7766 3552.1812 6281.0748 302.0681 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: 1053.34, 0.00395404/step Wall: 1053.34, 0.00395404/step, 2.45326 hours remaining, 111.296875 MB of memory in use. ENERGY: 266400 653.2869 1839.3276 1981.5888 101.4259 -1.6208 -1045.5454 0.0000 0.0000 2669.9607 6198.4237 294.9046 3528.4630 6233.1755 297.9087 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: 1054.13, 0.00395557/step Wall: 1054.13, 0.00395557/step, 2.45399 hours remaining, 111.296875 MB of memory in use. ENERGY: 266600 661.0118 1867.1004 1972.9182 115.1512 -0.6867 -1040.5876 0.0000 0.0000 2684.6363 6259.5435 296.5256 3574.9072 6289.8222 296.5106 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: 1054.92, 0.00395325/step Wall: 1054.92, 0.00395325/step, 2.45234 hours remaining, 111.296875 MB of memory in use. ENERGY: 266800 669.8068 1784.6483 1987.8555 106.5182 -1.7775 -1022.7518 0.0000 0.0000 2694.0226 6218.3221 297.5623 3524.2995 6249.0832 297.8439 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: 1055.71, 0.00395448/step Wall: 1055.71, 0.00395448/step, 2.45288 hours remaining, 111.296875 MB of memory in use. ENERGY: 267000 662.4949 1820.6424 1972.2071 115.6674 -2.2638 -1066.9384 0.0000 0.0000 2752.4504 6254.2600 304.0158 3501.8095 6289.8426 299.6187 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: 1056.5, 0.00394653/step Wall: 1056.5, 0.00394653/step, 2.44773 hours remaining, 111.296875 MB of memory in use. ENERGY: 267200 662.1840 1815.3469 1987.2729 105.0386 -1.7821 -1081.3401 0.0000 0.0000 2752.2924 6239.0126 303.9984 3486.7202 6273.9570 300.4314 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: 1057.29, 0.00395347/step Wall: 1057.29, 0.00395348/step, 2.45182 hours remaining, 111.296875 MB of memory in use. ENERGY: 267400 670.6971 1863.3148 1978.8155 101.2995 -2.1868 -1098.8457 0.0000 0.0000 2683.2423 6196.3366 296.3716 3513.0943 6229.2941 298.3264 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: 1058.08, 0.00395409/step Wall: 1058.08, 0.00395409/step, 2.45197 hours remaining, 111.296875 MB of memory in use. ENERGY: 267600 654.6640 1849.6816 1981.3260 105.3930 -1.8880 -1078.4850 0.0000 0.0000 2729.5754 6240.2670 301.4892 3510.6917 6273.6673 298.5846 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: 1058.87, 0.00396045/step Wall: 1058.87, 0.00396046/step, 2.4557 hours remaining, 111.296875 MB of memory in use. ENERGY: 267800 680.7046 1856.2561 2020.5612 114.9373 -1.7015 -1119.3055 0.0000 0.0000 2664.3970 6215.8492 294.2901 3551.4522 6247.1140 300.0495 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: 1059.66, 0.00394644/step Wall: 1059.66, 0.00394644/step, 2.44679 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 268000 695.1012 1791.7084 2002.9414 99.3671 0.0705 -1074.9007 0.0000 0.0000 2711.1457 6225.4336 299.4536 3514.2880 6258.4565 298.5081 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: 1060.45, 0.00396159/step Wall: 1060.45, 0.00396159/step, 2.45597 hours remaining, 111.296875 MB of memory in use. ENERGY: 268200 688.4250 1799.2597 1993.8632 110.7801 -1.2871 -1070.3256 0.0000 0.0000 2748.0457 6268.7610 303.5293 3520.7153 6300.5118 300.2617 LDB: ============= START OF LOAD BALANCING ============== 1063.41 LDB: ============== END OF LOAD BALANCING =============== 1063.41 LDB: =============== DONE WITH MIGRATION ================ 1063.41 LDB: ============= START OF LOAD BALANCING ============== 1063.81 LDB: ============== END OF LOAD BALANCING =============== 1063.81 LDB: =============== DONE WITH MIGRATION ================ 1063.81 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: 1061.25, 0.00396199/step Wall: 1061.25, 0.00396199/step, 2.45599 hours remaining, 111.296875 MB of memory in use. ENERGY: 268400 610.8496 1862.5079 1993.2340 110.0772 -0.4730 -1082.9230 0.0000 0.0000 2709.9416 6203.2144 299.3206 3493.2728 6237.9129 299.1202 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: 1062.04, 0.00395443/step Wall: 1062.04, 0.00395443/step, 2.45109 hours remaining, 111.296875 MB of memory in use. ENERGY: 268600 649.6820 1815.3447 1988.1113 99.0606 0.3073 -1013.0938 0.0000 0.0000 2722.2420 6261.6539 300.6792 3539.4119 6294.4907 298.8319 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: 1062.83, 0.00394983/step Wall: 1062.83, 0.00394983/step, 2.44801 hours remaining, 111.296875 MB of memory in use. ENERGY: 268800 643.8384 1867.8400 1980.6494 117.4876 -0.3171 -1049.2535 0.0000 0.0000 2701.7803 6262.0253 298.4192 3560.2449 6294.8966 300.7413 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: 1063.64, 0.00405314/step Wall: 1063.64, 0.00405314/step, 2.51182 hours remaining, 111.296875 MB of memory in use. ENERGY: 269000 664.1437 1860.2779 1952.6766 108.4781 0.0124 -1023.3599 0.0000 0.0000 2715.2933 6277.5222 299.9117 3562.2289 6308.9539 298.5830 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: 1064.43, 0.00394825/step Wall: 1064.43, 0.00394825/step, 2.4466 hours remaining, 111.296875 MB of memory in use. ENERGY: 269200 645.3130 1880.1405 1976.4296 100.5428 -1.7229 -1062.2076 0.0000 0.0000 2721.0470 6259.5422 300.5472 3538.4953 6291.2983 297.4251 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: 1065.22, 0.00394637/step Wall: 1065.22, 0.00394637/step, 2.44521 hours remaining, 111.296875 MB of memory in use. ENERGY: 269400 607.6408 1885.7539 1980.3700 107.8001 -0.6823 -1067.5737 0.0000 0.0000 2663.7381 6177.0469 294.2173 3513.3088 6209.9875 297.3325 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: 1066, 0.00394623/step Wall: 1066, 0.00394623/step, 2.44491 hours remaining, 111.296875 MB of memory in use. ENERGY: 269600 641.7678 1849.8576 1997.0987 114.2836 -1.3322 -1077.7275 0.0000 0.0000 2640.5108 6164.4588 291.6518 3523.9480 6198.4834 294.6607 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: 1066.79, 0.00394421/step Wall: 1066.79, 0.00394421/step, 2.44344 hours remaining, 111.296875 MB of memory in use. ENERGY: 269800 652.8492 1908.1405 1975.1630 113.6822 -0.0537 -1074.5007 0.0000 0.0000 2643.7795 6219.0601 292.0128 3575.2805 6250.6651 296.3016 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: 1067.58, 0.00394704/step Wall: 1067.58, 0.00394704/step, 2.44497 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 270000 658.7246 1853.0143 1982.4165 106.7459 -1.0516 -1060.5480 0.0000 0.0000 2679.1233 6218.4249 295.9166 3539.3016 6251.3326 298.5183 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 270000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1068.44, 0.00430843/step Wall: 1068.44, 0.00430843/step, 2.66859 hours remaining, 111.296875 MB of memory in use. ENERGY: 270200 675.5786 1818.6003 2009.8385 105.3855 -0.0019 -1089.2237 0.0000 0.0000 2724.7807 6244.9579 300.9596 3520.1772 6281.2942 300.2358 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: 1069.24, 0.00396129/step Wall: 1069.24, 0.00396129/step, 2.45336 hours remaining, 111.296875 MB of memory in use. ENERGY: 270400 660.5817 1817.0569 2014.2177 102.0902 -0.0630 -1097.9447 0.0000 0.0000 2729.7243 6225.6631 301.5057 3495.9388 6261.1047 299.1048 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: 1070.03, 0.00395252/step Wall: 1070.03, 0.00395252/step, 2.44771 hours remaining, 111.296875 MB of memory in use. ENERGY: 270600 656.4791 1828.4470 2008.3687 118.4568 0.6268 -1060.2615 0.0000 0.0000 2696.9009 6249.0178 297.8802 3552.1169 6284.2459 298.9791 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: 1070.82, 0.00395062/step Wall: 1070.82, 0.00395062/step, 2.44631 hours remaining, 111.296875 MB of memory in use. ENERGY: 270800 655.2027 1850.0137 2019.0504 100.9728 0.8772 -1076.5384 0.0000 0.0000 2698.1405 6247.7189 298.0171 3549.5784 6281.4304 299.6263 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: 1071.61, 0.00394714/step Wall: 1071.61, 0.00394714/step, 2.44393 hours remaining, 111.296875 MB of memory in use. ENERGY: 271000 643.4424 1852.9162 1987.8870 107.0316 -0.4663 -1049.2495 0.0000 0.0000 2760.0647 6301.6262 304.8568 3541.5615 6333.9484 299.8374 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: 1072.4, 0.00395053/step Wall: 1072.4, 0.00395053/step, 2.44581 hours remaining, 111.296875 MB of memory in use. ENERGY: 271200 673.6337 1878.0169 1966.9762 114.4596 0.1532 -1040.1020 0.0000 0.0000 2668.8086 6261.9462 294.7773 3593.1377 6292.4615 299.2079 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: 1073.19, 0.00395137/step Wall: 1073.19, 0.00395137/step, 2.44612 hours remaining, 111.296875 MB of memory in use. ENERGY: 271400 629.6898 1835.3938 1975.1578 104.3596 -0.2899 -1051.9159 0.0000 0.0000 2748.9905 6241.3856 303.6337 3492.3952 6273.4531 298.8299 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: 1073.98, 0.00395169/step Wall: 1073.98, 0.00395169/step, 2.4461 hours remaining, 111.296875 MB of memory in use. ENERGY: 271600 638.0859 1837.1849 2000.0532 112.6029 -0.9627 -1058.7066 0.0000 0.0000 2700.6842 6228.9418 298.2981 3528.2576 6261.0145 297.9596 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: 1074.77, 0.0039496/step Wall: 1074.77, 0.0039496/step, 2.44458 hours remaining, 111.296875 MB of memory in use. ENERGY: 271800 651.9953 1859.5360 1987.6947 104.1763 -0.9595 -1094.6379 0.0000 0.0000 2717.6941 6225.4991 300.1769 3507.8050 6258.8133 298.5124 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: 1075.56, 0.00394787/step Wall: 1075.56, 0.00394787/step, 2.4433 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 272000 636.3830 1875.3966 1976.2174 104.7587 -0.8376 -1031.7670 0.0000 0.0000 2723.3363 6283.4874 300.8001 3560.1511 6317.5454 300.1809 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: 1076.35, 0.00395155/step Wall: 1076.35, 0.00395155/step, 2.44535 hours remaining, 111.296875 MB of memory in use. ENERGY: 272200 649.7128 1854.6438 2002.6070 101.9029 0.0501 -1014.8555 0.0000 0.0000 2693.2219 6287.2829 297.4739 3594.0610 6319.9758 299.0987 LDB: ============= START OF LOAD BALANCING ============== 1079.31 LDB: ============== END OF LOAD BALANCING =============== 1079.31 LDB: =============== DONE WITH MIGRATION ================ 1079.31 LDB: ============= START OF LOAD BALANCING ============== 1079.7 LDB: ============== END OF LOAD BALANCING =============== 1079.7 LDB: =============== DONE WITH MIGRATION ================ 1079.7 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: 1077.14, 0.00395715/step Wall: 1077.14, 0.00395714/step, 2.44859 hours remaining, 111.296875 MB of memory in use. ENERGY: 272400 674.1936 1820.3033 1996.7395 95.7423 -2.1580 -1038.0400 0.0000 0.0000 2665.7447 6212.5254 294.4389 3546.7807 6244.3749 297.7044 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: 1077.93, 0.0039526/step Wall: 1077.93, 0.00395261/step, 2.44557 hours remaining, 111.296875 MB of memory in use. ENERGY: 272600 643.9977 1819.3360 1957.3341 106.8921 0.6689 -1032.0255 0.0000 0.0000 2715.6349 6211.8383 299.9494 3496.2033 6249.0466 295.6172 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: 1078.72, 0.00394742/step Wall: 1078.72, 0.00394742/step, 2.44213 hours remaining, 111.296875 MB of memory in use. ENERGY: 272800 642.2220 1807.4147 1948.5735 94.4956 0.0910 -1044.6461 0.0000 0.0000 2747.1383 6195.2891 303.4291 3448.1508 6230.4884 297.3635 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: 1079.51, 0.00395263/step Wall: 1079.51, 0.00395263/step, 2.44514 hours remaining, 111.296875 MB of memory in use. ENERGY: 273000 647.4918 1808.2527 1992.2448 109.5206 -1.4947 -1050.4463 0.0000 0.0000 2694.8722 6200.4410 297.6561 3505.5688 6233.3525 295.5917 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: 1080.3, 0.00395177/step Wall: 1080.3, 0.00395177/step, 2.44439 hours remaining, 111.296875 MB of memory in use. ENERGY: 273200 638.6577 1879.1047 1984.3158 116.5715 -1.6442 -1056.4587 0.0000 0.0000 2706.7136 6267.2603 298.9641 3560.5467 6298.7820 299.3375 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: 1081.09, 0.00395359/step Wall: 1081.09, 0.00395359/step, 2.4453 hours remaining, 111.296875 MB of memory in use. ENERGY: 273400 651.4448 1849.5270 1986.0434 111.6790 -1.0030 -1073.2436 0.0000 0.0000 2669.0225 6193.4701 294.8010 3524.4476 6224.9454 298.4963 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: 1081.88, 0.00395289/step Wall: 1081.88, 0.00395289/step, 2.44464 hours remaining, 111.296875 MB of memory in use. ENERGY: 273600 691.9712 1829.7787 1978.8196 106.2840 -2.0325 -1057.5394 0.0000 0.0000 2699.5425 6246.8240 298.1720 3547.2815 6278.3361 298.3397 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: 1082.67, 0.00394766/step Wall: 1082.67, 0.00394766/step, 2.44119 hours remaining, 111.296875 MB of memory in use. ENERGY: 273800 669.7118 1828.3569 1986.6541 103.0762 -1.6945 -1042.2000 0.0000 0.0000 2676.9442 6220.8487 295.6759 3543.9045 6252.1812 298.6395 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: 1083.46, 0.00395369/step Wall: 1083.46, 0.00395369/step, 2.4447 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 274000 649.9099 1855.9384 2012.0104 106.9602 -1.6636 -1065.0117 0.0000 0.0000 2655.7877 6213.9312 293.3391 3558.1435 6244.5339 297.4722 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: 1084.25, 0.00395334/step Wall: 1084.25, 0.00395334/step, 2.44426 hours remaining, 111.296875 MB of memory in use. ENERGY: 274200 657.0811 1871.3244 1977.8686 110.1806 -1.8082 -1071.5733 0.0000 0.0000 2689.5851 6232.6584 297.0722 3543.0732 6265.1860 296.6757 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: 1085.04, 0.00395358/step Wall: 1085.04, 0.00395358/step, 2.44419 hours remaining, 111.296875 MB of memory in use. ENERGY: 274400 673.4655 1844.5751 1959.8039 97.4054 -1.2836 -1056.9519 0.0000 0.0000 2705.3052 6222.3196 298.8085 3517.0144 6252.3115 296.0803 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: 1085.83, 0.00395267/step Wall: 1085.83, 0.00395267/step, 2.44341 hours remaining, 111.296875 MB of memory in use. ENERGY: 274600 679.4110 1852.8043 1986.6135 93.9844 -0.9460 -1059.6842 0.0000 0.0000 2664.7805 6216.9634 294.3324 3552.1830 6248.4198 297.0582 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: 1086.62, 0.00394726/step Wall: 1086.62, 0.00394726/step, 2.43984 hours remaining, 111.296875 MB of memory in use. ENERGY: 274800 661.0400 1821.8837 1959.5121 108.4434 -3.4292 -1074.4407 0.0000 0.0000 2664.8120 6137.8214 294.3359 3473.0094 6171.6977 298.2412 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: 1087.41, 0.00395271/step Wall: 1087.41, 0.00395271/step, 2.44299 hours remaining, 111.296875 MB of memory in use. ENERGY: 275000 678.2575 1824.2387 1991.6624 103.2478 -2.6195 -1050.2697 0.0000 0.0000 2607.3595 6151.8767 287.9901 3544.5172 6183.3795 293.0000 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: 1088.2, 0.00395279/step Wall: 1088.2, 0.00395279/step, 2.44282 hours remaining, 111.296875 MB of memory in use. ENERGY: 275200 662.0223 1848.5760 1971.1612 99.4037 -0.8166 -1066.8769 0.0000 0.0000 2648.2983 6161.7680 292.5119 3513.4697 6192.0030 292.9074 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: 1088.99, 0.00395171/step Wall: 1088.99, 0.00395171/step, 2.44194 hours remaining, 111.296875 MB of memory in use. ENERGY: 275400 673.0718 1789.6832 1980.7337 101.8451 -1.9605 -1018.3601 0.0000 0.0000 2662.7181 6187.7313 294.1046 3525.0132 6220.4087 295.0713 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: 1089.79, 0.00395388/step Wall: 1089.79, 0.00395388/step, 2.44306 hours remaining, 111.296875 MB of memory in use. ENERGY: 275600 654.5829 1844.4492 1972.1399 98.4278 0.0984 -1077.0390 0.0000 0.0000 2698.2773 6190.9365 298.0322 3492.6592 6221.5756 296.6924 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: 1090.57, 0.00394796/step Wall: 1090.57, 0.00394796/step, 2.43918 hours remaining, 111.296875 MB of memory in use. ENERGY: 275800 644.4274 1808.2391 1986.7333 92.1056 -1.8557 -1057.3858 0.0000 0.0000 2714.9880 6187.2519 299.8780 3472.2639 6221.3688 296.0161 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: 1091.37, 0.00395499/step Wall: 1091.37, 0.00395499/step, 2.4433 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 276000 649.7467 1852.8156 1991.9694 100.1928 -1.2258 -1069.6857 0.0000 0.0000 2677.2103 6201.0234 295.7053 3523.8131 6235.8067 296.8241 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: 1092.16, 0.00395365/step Wall: 1092.16, 0.00395365/step, 2.44225 hours remaining, 111.296875 MB of memory in use. ENERGY: 276200 660.5423 1849.2341 1967.8460 97.5860 -2.0755 -1059.4243 0.0000 0.0000 2689.3516 6203.0602 297.0464 3513.7086 6233.6102 295.9966 LDB: ============= START OF LOAD BALANCING ============== 1095.12 LDB: ============== END OF LOAD BALANCING =============== 1095.12 LDB: =============== DONE WITH MIGRATION ================ 1095.12 LDB: ============= START OF LOAD BALANCING ============== 1095.51 LDB: ============== END OF LOAD BALANCING =============== 1095.51 LDB: =============== DONE WITH MIGRATION ================ 1095.51 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: 1092.95, 0.00395695/step Wall: 1092.95, 0.00395695/step, 2.44408 hours remaining, 111.296875 MB of memory in use. ENERGY: 276400 670.3214 1818.8821 1971.7581 98.0339 -0.7789 -1044.7232 0.0000 0.0000 2733.4541 6246.9474 301.9176 3513.4933 6280.0184 297.3599 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: 1093.74, 0.00394771/step Wall: 1093.74, 0.00394771/step, 2.43815 hours remaining, 111.296875 MB of memory in use. ENERGY: 276600 675.5266 1818.2636 2012.6102 107.7674 -2.1198 -1038.2428 0.0000 0.0000 2651.7358 6225.5410 292.8916 3573.8052 6257.7111 298.4686 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: 1094.53, 0.00395383/step Wall: 1094.53, 0.00395383/step, 2.44171 hours remaining, 111.296875 MB of memory in use. ENERGY: 276800 619.9319 1809.4396 1956.6626 102.5550 -0.8088 -1033.1666 0.0000 0.0000 2754.2665 6208.8802 304.2164 3454.6137 6242.3047 296.4290 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: 1095.32, 0.00395313/step Wall: 1095.32, 0.00395313/step, 2.44106 hours remaining, 111.296875 MB of memory in use. ENERGY: 277000 667.3570 1788.5776 2003.9140 110.8639 -2.0396 -1013.1000 0.0000 0.0000 2656.5011 6212.0739 293.4179 3555.5728 6242.1907 296.1742 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: 1096.11, 0.00395275/step Wall: 1096.11, 0.00395275/step, 2.4406 hours remaining, 111.296875 MB of memory in use. ENERGY: 277200 664.1642 1849.0967 1998.5165 105.4449 -2.2777 -1066.0394 0.0000 0.0000 2708.2926 6257.1979 299.1385 3548.9052 6291.8098 296.8347 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: 1096.9, 0.00395303/step Wall: 1096.9, 0.00395303/step, 2.44055 hours remaining, 111.296875 MB of memory in use. ENERGY: 277400 641.4201 1820.8441 2021.4620 107.4790 -0.8923 -1075.4580 0.0000 0.0000 2713.8883 6228.7432 299.7565 3514.8550 6262.7386 300.6808 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: 1097.69, 0.00394779/step Wall: 1097.69, 0.00394779/step, 2.4371 hours remaining, 111.296875 MB of memory in use. ENERGY: 277600 608.3343 1815.0765 2049.8591 119.0537 -1.0831 -1064.8014 0.0000 0.0000 2740.7568 6267.1960 302.7242 3526.4392 6300.2594 299.5731 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: 1098.48, 0.00395262/step Wall: 1098.48, 0.00395262/step, 2.43986 hours remaining, 111.296875 MB of memory in use. ENERGY: 277800 660.6572 1839.5503 1990.9265 109.1459 -3.3570 -1089.0922 0.0000 0.0000 2707.4098 6215.2405 299.0410 3507.8307 6248.0688 297.8119 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: 1099.27, 0.00396397/step Wall: 1099.27, 0.00396397/step, 2.44665 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 278000 663.8339 1852.1472 2009.1735 107.7171 -0.8160 -1070.0724 0.0000 0.0000 2668.1949 6230.1782 294.7096 3561.9834 6262.9040 296.8734 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: 1100.06, 0.00395463/step Wall: 1100.06, 0.00395463/step, 2.44066 hours remaining, 111.296875 MB of memory in use. ENERGY: 278200 657.3482 1809.8477 2007.2613 109.0896 -0.1308 -1062.2246 0.0000 0.0000 2691.3031 6212.4944 297.2619 3521.1913 6244.5852 298.1902 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: 1100.85, 0.00395573/step Wall: 1100.85, 0.00395573/step, 2.44113 hours remaining, 111.296875 MB of memory in use. ENERGY: 278400 631.6297 1884.6571 1997.8157 112.4776 -0.2382 -1052.7206 0.0000 0.0000 2644.4220 6218.0434 292.0838 3573.6214 6251.1905 297.2484 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: 1101.64, 0.0039491/step Wall: 1101.64, 0.0039491/step, 2.43681 hours remaining, 111.296875 MB of memory in use. ENERGY: 278600 652.3746 1844.8204 1971.2642 103.1673 -1.2813 -1017.0386 0.0000 0.0000 2694.7960 6248.1026 297.6477 3553.3066 6281.6631 297.6843 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: 1102.44, 0.00395245/step Wall: 1102.44, 0.00395245/step, 2.43866 hours remaining, 111.296875 MB of memory in use. ENERGY: 278800 660.4387 1900.9294 1964.0225 99.6204 -0.7654 -1094.3847 0.0000 0.0000 2683.6147 6213.4756 296.4127 3529.8609 6246.8822 297.4515 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: 1103.23, 0.00395414/step Wall: 1103.23, 0.00395414/step, 2.43949 hours remaining, 111.296875 MB of memory in use. ENERGY: 279000 645.2599 1847.5913 1972.1021 99.7194 0.0312 -1057.9573 0.0000 0.0000 2697.5973 6204.3438 297.9571 3506.7465 6237.9522 296.3325 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: 1104.02, 0.00395586/step Wall: 1104.02, 0.00395586/step, 2.44033 hours remaining, 111.296875 MB of memory in use. ENERGY: 279200 675.6581 1829.8918 1964.7621 123.9722 -1.0950 -1088.3937 0.0000 0.0000 2713.1937 6217.9892 299.6798 3504.7955 6253.5392 296.1273 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: 1104.81, 0.00395601/step Wall: 1104.81, 0.00395601/step, 2.4402 hours remaining, 111.296875 MB of memory in use. ENERGY: 279400 636.9016 1847.7582 1973.1138 109.3166 -1.0243 -1042.1056 0.0000 0.0000 2669.5473 6193.5076 294.8589 3523.9603 6226.3101 297.6268 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: 1105.6, 0.0039499/step Wall: 1105.6, 0.0039499/step, 2.43621 hours remaining, 111.296875 MB of memory in use. ENERGY: 279600 647.0267 1802.6035 1981.6573 107.0576 -0.8020 -1030.8094 0.0000 0.0000 2723.5344 6230.2680 300.8220 3506.7336 6261.7676 296.4974 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: 1106.39, 0.00395454/step Wall: 1106.39, 0.00395454/step, 2.43885 hours remaining, 111.296875 MB of memory in use. ENERGY: 279800 663.0397 1857.0692 2019.8085 105.9332 -1.2267 -1050.7562 0.0000 0.0000 2635.8085 6229.6763 291.1324 3593.8678 6261.2642 297.8934 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: 1107.18, 0.00395696/step Wall: 1107.18, 0.00395696/step, 2.44013 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 280000 650.5053 1865.8885 2004.4434 109.2019 -2.0854 -1031.5659 0.0000 0.0000 2683.4333 6279.8212 296.3927 3596.3878 6313.9986 298.7411 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 280000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1108, 0.00411333/step Wall: 1108, 0.00411333/step, 2.53633 hours remaining, 111.296875 MB of memory in use. ENERGY: 280200 658.3498 1865.5179 1983.7961 98.7001 -0.6410 -1070.8769 0.0000 0.0000 2733.4770 6268.3230 301.9201 3534.8460 6302.9458 301.2659 LDB: ============= START OF LOAD BALANCING ============== 1110.96 LDB: ============== END OF LOAD BALANCING =============== 1110.96 LDB: =============== DONE WITH MIGRATION ================ 1110.96 LDB: ============= START OF LOAD BALANCING ============== 1111.36 LDB: ============== END OF LOAD BALANCING =============== 1111.36 LDB: =============== DONE WITH MIGRATION ================ 1111.36 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: 1108.79, 0.00395472/step Wall: 1108.79, 0.00395471/step, 2.4383 hours remaining, 111.296875 MB of memory in use. ENERGY: 280400 662.2632 1867.8276 1971.2490 123.5466 -2.1392 -1066.0348 0.0000 0.0000 2700.0476 6256.7601 298.2278 3556.7124 6287.4217 300.0930 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: 1109.59, 0.00395778/step Wall: 1109.59, 0.00395779/step, 2.43997 hours remaining, 111.296875 MB of memory in use. ENERGY: 280600 647.1562 1847.0463 1952.7945 128.2892 -1.5893 -1061.0759 0.0000 0.0000 2764.4948 6277.1159 305.3462 3512.6211 6311.7142 300.0783 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: 1110.38, 0.00395633/step Wall: 1110.38, 0.00395633/step, 2.43885 hours remaining, 111.296875 MB of memory in use. ENERGY: 280800 665.0870 1840.0655 1956.2224 120.9953 -1.5178 -1064.2767 0.0000 0.0000 2744.9482 6261.5239 303.1872 3516.5756 6296.4952 301.9859 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: 1111.17, 0.00395617/step Wall: 1111.17, 0.00395617/step, 2.43854 hours remaining, 111.296875 MB of memory in use. ENERGY: 281000 660.9838 1890.9567 1969.3594 104.2638 -1.2491 -1064.6995 0.0000 0.0000 2714.3806 6273.9957 299.8109 3559.6150 6307.0410 302.0421 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: 1111.96, 0.00395645/step Wall: 1111.96, 0.00395645/step, 2.43849 hours remaining, 111.296875 MB of memory in use. ENERGY: 281200 640.7392 1868.4957 1977.4693 100.8853 -0.9074 -1038.7467 0.0000 0.0000 2760.5475 6308.4831 304.9102 3547.9356 6347.8084 301.4014 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: 1112.75, 0.00395006/step Wall: 1112.75, 0.00395005/step, 2.43433 hours remaining, 111.296875 MB of memory in use. ENERGY: 281400 670.6929 1814.2271 1979.8280 101.2078 -0.2038 -1015.4501 0.0000 0.0000 2767.2620 6317.5639 305.6518 3550.3019 6351.0770 301.0311 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: 1113.54, 0.00395766/step Wall: 1113.54, 0.00395767/step, 2.4388 hours remaining, 111.296875 MB of memory in use. ENERGY: 281600 690.6802 1835.8260 1970.0138 101.9440 -0.9456 -1045.4116 0.0000 0.0000 2736.2957 6288.4025 302.2315 3552.1067 6321.9283 301.2162 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: 1114.33, 0.00395651/step Wall: 1114.33, 0.00395651/step, 2.43787 hours remaining, 111.296875 MB of memory in use. ENERGY: 281800 667.4593 1897.2338 1978.0384 101.4382 -0.6349 -1052.1702 0.0000 0.0000 2664.1095 6255.4740 294.2583 3591.3645 6286.4930 300.6902 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: 1115.12, 0.00395545/step Wall: 1115.12, 0.00395545/step, 2.43699 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 282000 615.1769 1831.5459 1988.9982 113.2477 -1.2437 -1042.4544 0.0000 0.0000 2718.8752 6224.1459 300.3073 3505.2707 6259.8962 297.2251 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: 1115.91, 0.00395506/step Wall: 1115.91, 0.00395506/step, 2.43654 hours remaining, 111.296875 MB of memory in use. ENERGY: 282200 640.3593 1830.6025 1991.5479 105.5076 0.7859 -1068.2108 0.0000 0.0000 2681.3441 6181.9366 296.1619 3500.5925 6214.7623 296.8152 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: 1116.7, 0.00394886/step Wall: 1116.7, 0.00394886/step, 2.4325 hours remaining, 111.296875 MB of memory in use. ENERGY: 282400 651.5116 1871.5417 1978.6467 104.1506 -0.2283 -1054.3601 0.0000 0.0000 2677.8109 6229.0731 295.7717 3551.2622 6263.2018 297.1803 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: 1117.5, 0.00395712/step Wall: 1117.5, 0.00395712/step, 2.43737 hours remaining, 111.296875 MB of memory in use. ENERGY: 282600 684.5927 1849.7634 2007.6574 109.5965 -2.0410 -1071.2882 0.0000 0.0000 2652.6826 6230.9636 292.9962 3578.2809 6259.9592 296.7386 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: 1118.29, 0.0039571/step Wall: 1118.29, 0.0039571/step, 2.43713 hours remaining, 111.296875 MB of memory in use. ENERGY: 282800 660.1117 1816.9921 1987.0894 102.5882 -1.6653 -1070.6493 0.0000 0.0000 2683.1089 6177.5756 296.3569 3494.4667 6211.5484 294.8447 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: 1119.08, 0.00395539/step Wall: 1119.08, 0.00395538/step, 2.43586 hours remaining, 111.296875 MB of memory in use. ENERGY: 283000 649.6961 1861.9095 1985.9271 106.6453 0.3416 -1091.7373 0.0000 0.0000 2713.1757 6225.9580 299.6778 3512.7822 6260.2006 296.5979 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: 1119.87, 0.00395512/step Wall: 1119.87, 0.00395513/step, 2.43548 hours remaining, 111.296875 MB of memory in use. ENERGY: 283200 617.1834 1807.5864 1999.6992 117.5253 1.2518 -1031.9920 0.0000 0.0000 2712.4529 6223.7070 299.5980 3511.2541 6262.8991 299.3012 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: 1120.66, 0.00395779/step Wall: 1120.66, 0.00395779/step, 2.4369 hours remaining, 111.296875 MB of memory in use. ENERGY: 283400 695.0534 1848.7005 1989.1322 109.1843 0.3240 -1063.2510 0.0000 0.0000 2674.7058 6253.8492 295.4287 3579.1434 6284.3082 296.4098 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: 1121.45, 0.00395966/step Wall: 1121.45, 0.00395966/step, 2.43783 hours remaining, 111.296875 MB of memory in use. ENERGY: 283600 628.3700 1860.7894 2001.2220 107.9092 0.1037 -1067.1807 0.0000 0.0000 2753.5177 6284.7313 304.1337 3531.2136 6319.8038 298.2036 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: 1122.24, 0.00395946/step Wall: 1122.24, 0.00395946/step, 2.43749 hours remaining, 111.296875 MB of memory in use. ENERGY: 283800 663.0656 1853.0043 1980.5155 108.9823 -1.9415 -1083.8026 0.0000 0.0000 2762.8203 6282.6439 305.1612 3519.8235 6317.9057 300.8421 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: 1123.04, 0.00395648/step Wall: 1123.04, 0.00395648/step, 2.43543 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 284000 640.2979 1845.4605 1999.1184 109.6754 0.1890 -1042.3311 0.0000 0.0000 2760.0312 6312.4412 304.8531 3552.4100 6345.8480 302.0236 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: 1123.83, 0.00394928/step Wall: 1123.83, 0.00394928/step, 2.43078 hours remaining, 111.296875 MB of memory in use. ENERGY: 284200 669.4451 1857.6770 2007.7385 115.7195 -1.1539 -1061.4434 0.0000 0.0000 2774.6656 6362.6485 306.4695 3587.9829 6396.0446 304.1623 LDB: ============= START OF LOAD BALANCING ============== 1126.79 LDB: ============== END OF LOAD BALANCING =============== 1126.79 LDB: =============== DONE WITH MIGRATION ================ 1126.79 LDB: ============= START OF LOAD BALANCING ============== 1127.18 LDB: ============== END OF LOAD BALANCING =============== 1127.18 LDB: =============== DONE WITH MIGRATION ================ 1127.18 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: 1124.62, 0.00396046/step Wall: 1124.62, 0.00396046/step, 2.43744 hours remaining, 111.296875 MB of memory in use. ENERGY: 284400 691.0323 1886.5260 1969.4022 121.4779 0.6294 -1077.1012 0.0000 0.0000 2666.6936 6258.6603 294.5437 3591.9666 6290.2710 301.6761 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: 1125.41, 0.00395726/step Wall: 1125.41, 0.00395726/step, 2.43526 hours remaining, 111.296875 MB of memory in use. ENERGY: 284600 698.1328 1833.4153 2009.4907 111.4582 0.3115 -1073.4224 0.0000 0.0000 2722.0387 6301.4249 300.6568 3579.3862 6334.9744 300.1008 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: 1126.2, 0.00395589/step Wall: 1126.2, 0.00395589/step, 2.43419 hours remaining, 111.296875 MB of memory in use. ENERGY: 284800 661.9569 1849.5444 1987.7515 95.6710 0.5149 -1071.3420 0.0000 0.0000 2752.9875 6277.0841 304.0751 3524.0967 6311.9937 301.3575 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: 1126.99, 0.00395769/step Wall: 1126.99, 0.00395769/step, 2.43508 hours remaining, 111.296875 MB of memory in use. ENERGY: 285000 648.1359 1941.0011 1994.9016 115.6794 -0.9155 -1020.3858 0.0000 0.0000 2649.2606 6327.6774 292.6182 3678.4167 6360.6195 301.1616 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: 1127.78, 0.00394909/step Wall: 1127.78, 0.00394909/step, 2.42957 hours remaining, 111.296875 MB of memory in use. ENERGY: 285200 673.1710 1916.1983 1955.5638 103.1796 0.3263 -1042.2436 0.0000 0.0000 2741.6742 6347.8695 302.8256 3606.1953 6382.4943 302.8598 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: 1128.57, 0.0039548/step Wall: 1128.57, 0.0039548/step, 2.43286 hours remaining, 111.296875 MB of memory in use. ENERGY: 285400 687.1556 1891.0322 1981.2214 114.6088 0.1680 -1052.4833 0.0000 0.0000 2794.8430 6416.5459 308.6982 3621.7029 6455.6940 305.6996 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: 1129.36, 0.00395468/step Wall: 1129.36, 0.00395468/step, 2.43257 hours remaining, 111.296875 MB of memory in use. ENERGY: 285600 609.7645 1872.0387 1990.2026 111.9707 0.1831 -1032.8455 0.0000 0.0000 2790.0661 6341.3802 308.1706 3551.3142 6376.6986 305.6474 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: 1130.15, 0.00395526/step Wall: 1130.15, 0.00395526/step, 2.4327 hours remaining, 111.296875 MB of memory in use. ENERGY: 285800 644.7429 1839.6027 1992.5189 105.5886 -0.7328 -1024.9819 0.0000 0.0000 2762.5802 6319.3185 305.1347 3556.7383 6353.4196 302.7835 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: 1130.95, 0.00395589/step Wall: 1130.95, 0.00395589/step, 2.43287 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 286000 655.8936 1852.0752 2014.2523 118.1150 0.5161 -1066.4563 0.0000 0.0000 2703.9588 6278.3547 298.6598 3574.3960 6309.7915 300.0583 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: 1131.74, 0.00395007/step Wall: 1131.74, 0.00395007/step, 2.42907 hours remaining, 111.296875 MB of memory in use. ENERGY: 286200 670.1320 1885.5704 2008.8087 122.7014 -0.1364 -1134.9241 0.0000 0.0000 2731.7819 6283.9339 301.7329 3552.1520 6316.9646 301.7825 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: 1132.53, 0.00395452/step Wall: 1132.53, 0.00395452/step, 2.43159 hours remaining, 111.296875 MB of memory in use. ENERGY: 286400 648.6584 1879.7674 2007.6390 109.9104 -0.8478 -1084.6107 0.0000 0.0000 2687.7134 6248.2301 296.8654 3560.5166 6279.0873 299.3670 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: 1133.32, 0.00395643/step Wall: 1133.32, 0.00395643/step, 2.43255 hours remaining, 111.296875 MB of memory in use. ENERGY: 286600 644.9429 1823.7624 1982.8349 97.7289 -1.0901 -1041.1180 0.0000 0.0000 2718.4129 6225.4740 300.2563 3507.0610 6259.8312 298.2142 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: 1134.11, 0.00395574/step Wall: 1134.11, 0.00395574/step, 2.4319 hours remaining, 111.296875 MB of memory in use. ENERGY: 286800 668.4420 1863.7223 1985.3938 109.2895 -1.1158 -1057.6219 0.0000 0.0000 2729.9347 6298.0445 301.5289 3568.1098 6331.8231 299.6669 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: 1134.9, 0.00395504/step Wall: 1134.9, 0.00395504/step, 2.43125 hours remaining, 111.296875 MB of memory in use. ENERGY: 287000 624.3467 1878.5315 2001.2455 105.3467 -0.0307 -1054.0772 0.0000 0.0000 2723.2686 6278.6310 300.7926 3555.3624 6311.2184 301.0628 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: 1135.69, 0.00394943/step Wall: 1135.69, 0.00394943/step, 2.42758 hours remaining, 111.296875 MB of memory in use. ENERGY: 287200 676.0116 1842.2959 1994.6229 104.4192 -0.0856 -1089.9237 0.0000 0.0000 2664.1711 6191.5114 294.2651 3527.3403 6223.3575 298.1249 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: 1136.48, 0.00395645/step Wall: 1136.48, 0.00395645/step, 2.43168 hours remaining, 111.296875 MB of memory in use. ENERGY: 287400 624.1627 1816.1684 2020.1573 103.5860 -0.9240 -1044.7861 0.0000 0.0000 2703.2133 6221.5776 298.5774 3518.3643 6255.9101 297.5573 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: 1137.27, 0.0039529/step Wall: 1137.27, 0.0039529/step, 2.42928 hours remaining, 111.296875 MB of memory in use. ENERGY: 287600 665.7931 1813.6532 2006.8931 105.0033 -1.1439 -1081.7980 0.0000 0.0000 2765.5728 6273.9737 305.4652 3508.4009 6308.9344 298.2137 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: 1138.06, 0.00395434/step Wall: 1138.06, 0.00395434/step, 2.42994 hours remaining, 111.296875 MB of memory in use. ENERGY: 287800 668.7432 1891.0383 2002.8089 105.5941 -1.8722 -1031.9341 0.0000 0.0000 2609.6326 6244.0108 288.2412 3634.3782 6273.9429 298.4737 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: 1138.85, 0.00394722/step Wall: 1138.85, 0.00394722/step, 2.42534 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 288000 641.0130 1803.6266 2003.4913 108.5577 -1.4967 -1062.0266 0.0000 0.0000 2699.1478 6192.3130 298.1284 3493.1652 6226.5410 297.6370 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: 1139.64, 0.0039612/step Wall: 1139.64, 0.0039612/step, 2.43372 hours remaining, 111.296875 MB of memory in use. ENERGY: 288200 630.6602 1793.2824 2001.0845 119.6247 -1.0549 -1013.4627 0.0000 0.0000 2666.2233 6196.3574 294.4918 3530.1340 6227.2762 295.3445 LDB: ============= START OF LOAD BALANCING ============== 1142.61 LDB: ============== END OF LOAD BALANCING =============== 1142.61 LDB: =============== DONE WITH MIGRATION ================ 1142.61 LDB: ============= START OF LOAD BALANCING ============== 1143 LDB: ============== END OF LOAD BALANCING =============== 1143 LDB: =============== DONE WITH MIGRATION ================ 1143 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: 1140.44, 0.00395943/step Wall: 1140.44, 0.00395943/step, 2.43241 hours remaining, 111.296875 MB of memory in use. ENERGY: 288400 654.0174 1823.2574 1974.7615 103.4123 -0.5686 -1041.0591 0.0000 0.0000 2674.7254 6188.5463 295.4309 3513.8209 6219.9542 295.4149 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: 1141.23, 0.00395543/step Wall: 1141.23, 0.00395543/step, 2.42973 hours remaining, 111.296875 MB of memory in use. ENERGY: 288600 644.9560 1819.0438 1975.0395 115.1065 0.0966 -1025.1722 0.0000 0.0000 2717.2294 6246.2996 300.1256 3529.0702 6278.1237 297.7987 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: 1142.02, 0.00395459/step Wall: 1142.02, 0.00395459/step, 2.429 hours remaining, 111.296875 MB of memory in use. ENERGY: 288800 668.7562 1898.3051 2005.0789 102.9284 -0.7616 -1051.5326 0.0000 0.0000 2653.4059 6276.1801 293.0761 3622.7742 6309.4525 299.5992 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: 1142.81, 0.00394809/step Wall: 1142.81, 0.00394809/step, 2.42478 hours remaining, 111.296875 MB of memory in use. ENERGY: 289000 672.9858 1838.9281 1996.6214 101.5482 -1.5359 -1039.0543 0.0000 0.0000 2713.8786 6283.3719 299.7554 3569.4933 6318.3671 300.9629 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: 1143.6, 0.00395365/step Wall: 1143.6, 0.00395365/step, 2.42798 hours remaining, 111.296875 MB of memory in use. ENERGY: 289200 701.6883 1902.1820 1990.5636 106.2728 -1.7613 -1069.2588 0.0000 0.0000 2729.6417 6359.3283 301.4965 3629.6866 6392.7228 302.3236 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: 1144.39, 0.00395289/step Wall: 1144.39, 0.00395289/step, 2.42729 hours remaining, 111.296875 MB of memory in use. ENERGY: 289400 668.5883 1897.0247 2003.5216 110.0554 0.2763 -1056.5154 0.0000 0.0000 2746.0548 6369.0057 303.3094 3622.9509 6404.1437 303.7132 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: 1145.18, 0.00395412/step Wall: 1145.18, 0.00395412/step, 2.42783 hours remaining, 111.296875 MB of memory in use. ENERGY: 289600 660.8902 1915.5924 2008.1386 106.6446 -1.3685 -1056.4323 0.0000 0.0000 2730.3058 6363.7707 301.5699 3633.4649 6398.7401 304.7303 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: 1145.97, 0.00395343/step Wall: 1145.97, 0.00395343/step, 2.42719 hours remaining, 111.296875 MB of memory in use. ENERGY: 289800 651.6430 1857.8933 2027.8358 111.0611 -1.2798 -1079.8409 0.0000 0.0000 2759.4344 6326.7468 304.7872 3567.3124 6362.8077 305.1762 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: 1146.76, 0.00395026/step Wall: 1146.76, 0.00395026/step, 2.42502 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 290000 669.3504 1876.5471 2014.8678 109.6152 0.5819 -1068.7522 0.0000 0.0000 2755.2231 6357.4333 304.3221 3602.2102 6391.0990 304.4323 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 290000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1147.61, 0.00426019/step Wall: 1147.61, 0.00426019/step, 2.61505 hours remaining, 111.296875 MB of memory in use. ENERGY: 290200 663.5577 1843.8054 1997.5233 103.6307 0.8500 -1033.3657 0.0000 0.0000 2785.3573 6361.3587 307.6505 3576.0014 6396.2700 305.1620 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: 1148.4, 0.00395568/step Wall: 1148.4, 0.00395568/step, 2.42791 hours remaining, 111.296875 MB of memory in use. ENERGY: 290400 658.3244 1826.7853 2013.1885 101.2841 0.0649 -1036.8691 0.0000 0.0000 2751.2692 6314.0474 303.8853 3562.7782 6348.1644 303.0465 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: 1149.2, 0.00395537/step Wall: 1149.2, 0.00395537/step, 2.4275 hours remaining, 111.296875 MB of memory in use. ENERGY: 290600 662.2081 1874.6563 2023.5035 96.2360 0.4309 -1087.4245 0.0000 0.0000 2766.5130 6336.1233 305.5691 3569.6103 6369.4010 304.9777 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: 1149.99, 0.0039544/step Wall: 1149.99, 0.0039544/step, 2.42669 hours remaining, 111.296875 MB of memory in use. ENERGY: 290800 631.8274 1855.9040 2036.6803 105.7657 -0.6979 -1050.2509 0.0000 0.0000 2747.2910 6326.5195 303.4459 3579.2285 6359.0501 303.6434 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: 1150.78, 0.00395056/step Wall: 1150.78, 0.00395056/step, 2.42411 hours remaining, 111.296875 MB of memory in use. ENERGY: 291000 681.7105 1878.9612 1992.0888 111.7174 -0.3936 -1028.8690 0.0000 0.0000 2717.4222 6352.6374 300.1468 3635.2153 6382.9259 303.3378 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: 1151.57, 0.00395662/step Wall: 1151.57, 0.00395662/step, 2.42761 hours remaining, 111.296875 MB of memory in use. ENERGY: 291200 689.0367 1835.8814 2002.9602 104.5807 0.5243 -1063.8349 0.0000 0.0000 2759.8065 6328.9549 304.8283 3569.1484 6364.5063 303.2999 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: 1152.36, 0.00395394/step Wall: 1152.36, 0.00395394/step, 2.42574 hours remaining, 111.296875 MB of memory in use. ENERGY: 291400 682.1622 1824.4552 1998.7663 108.8439 -0.1576 -1055.6919 0.0000 0.0000 2802.3788 6360.7570 309.5305 3558.3782 6397.5857 305.2261 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: 1153.15, 0.00395479/step Wall: 1153.15, 0.00395479/step, 2.42605 hours remaining, 111.296875 MB of memory in use. ENERGY: 291600 685.3905 1853.1785 2009.1471 104.6272 -0.8228 -1061.2882 0.0000 0.0000 2759.2274 6349.4598 304.7644 3590.2323 6383.3454 306.5060 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: 1153.94, 0.0039534/step Wall: 1153.94, 0.0039534/step, 2.42497 hours remaining, 111.296875 MB of memory in use. ENERGY: 291800 664.2866 1904.8304 2001.3492 114.7240 -0.0882 -1056.4668 0.0000 0.0000 2738.9773 6367.6124 302.5277 3628.6351 6401.8486 305.5141 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: 1154.73, 0.00394822/step Wall: 1154.73, 0.00394822/step, 2.42157 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 292000 676.4915 1875.9782 2006.7823 117.3086 0.8593 -1050.0095 0.0000 0.0000 2784.0056 6411.4160 307.5012 3627.4104 6442.8959 305.6450 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: 1155.52, 0.00395421/step Wall: 1155.52, 0.00395421/step, 2.42503 hours remaining, 111.296875 MB of memory in use. ENERGY: 292200 664.2819 1911.5073 2023.2051 108.2404 -1.0117 -1061.6383 0.0000 0.0000 2736.1635 6380.7482 302.2169 3644.5847 6414.4062 305.0581 LDB: ============= START OF LOAD BALANCING ============== 1158.48 LDB: ============== END OF LOAD BALANCING =============== 1158.48 LDB: =============== DONE WITH MIGRATION ================ 1158.48 LDB: ============= START OF LOAD BALANCING ============== 1158.88 LDB: ============== END OF LOAD BALANCING =============== 1158.88 LDB: =============== DONE WITH MIGRATION ================ 1158.88 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: 1156.31, 0.00395839/step Wall: 1156.31, 0.00395839/step, 2.42737 hours remaining, 111.296875 MB of memory in use. ENERGY: 292400 652.6064 1876.2861 2014.8409 111.2319 0.7153 -1040.0576 0.0000 0.0000 2725.4265 6341.0495 301.0309 3615.6230 6372.9240 304.6283 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: 1157.1, 0.00395465/step Wall: 1157.1, 0.00395465/step, 2.42486 hours remaining, 111.296875 MB of memory in use. ENERGY: 292600 687.8326 1829.4650 2003.0470 112.1619 0.0011 -1069.2865 0.0000 0.0000 2731.8442 6295.0652 301.7398 3563.2211 6331.1722 302.5984 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: 1157.89, 0.00394809/step Wall: 1157.89, 0.00394809/step, 2.42062 hours remaining, 111.296875 MB of memory in use. ENERGY: 292800 678.3527 1844.7635 1996.0900 103.1820 -0.1121 -1027.8060 0.0000 0.0000 2746.1370 6340.6072 303.3185 3594.4702 6377.1899 301.0388 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: 1158.68, 0.00395355/step Wall: 1158.68, 0.00395355/step, 2.42375 hours remaining, 111.296875 MB of memory in use. ENERGY: 293000 640.5943 1882.0839 2019.2465 115.0752 0.3705 -1066.3844 0.0000 0.0000 2714.8421 6305.8281 299.8619 3590.9859 6337.6869 303.8183 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: 1159.47, 0.00395671/step Wall: 1159.47, 0.00395671/step, 2.42546 hours remaining, 111.296875 MB of memory in use. ENERGY: 293200 652.6556 1857.4125 2026.5289 106.3483 0.2345 -1068.9718 0.0000 0.0000 2700.4782 6274.6862 298.2753 3574.2080 6305.3601 301.2110 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: 1160.27, 0.00395625/step Wall: 1160.27, 0.00395625/step, 2.42496 hours remaining, 111.296875 MB of memory in use. ENERGY: 293400 646.2154 1811.5627 2017.6759 109.9423 2.3077 -1067.6356 0.0000 0.0000 2723.7035 6243.7720 300.8406 3520.0685 6276.7461 298.7847 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: 1161.06, 0.00395484/step Wall: 1161.06, 0.00395484/step, 2.42388 hours remaining, 111.296875 MB of memory in use. ENERGY: 293600 663.0005 1809.8004 2003.7333 103.6308 0.4731 -1025.2662 0.0000 0.0000 2724.5077 6279.8797 300.9295 3555.3720 6313.5405 299.0179 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: 1161.85, 0.00394837/step Wall: 1161.85, 0.00394837/step, 2.4197 hours remaining, 111.296875 MB of memory in use. ENERGY: 293800 657.2264 1837.6674 1998.8049 114.4339 0.7138 -1049.1204 0.0000 0.0000 2771.0483 6330.7742 306.0700 3559.7260 6365.6496 302.0184 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: 1162.64, 0.0039525/step Wall: 1162.64, 0.0039525/step, 2.422 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 294000 679.4173 1836.2552 2025.2030 108.9715 -0.8835 -1100.2895 0.0000 0.0000 2723.6189 6272.2930 300.8313 3548.6742 6304.3886 303.1349 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: 1163.43, 0.00395328/step Wall: 1163.43, 0.00395328/step, 2.42226 hours remaining, 111.296875 MB of memory in use. ENERGY: 294200 662.6932 1776.1653 1996.4010 104.0903 0.7968 -1083.9893 0.0000 0.0000 2707.0765 6163.2338 299.0041 3456.1573 6199.9137 298.6246 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: 1164.22, 0.00395478/step Wall: 1164.22, 0.00395477/step, 2.42296 hours remaining, 111.296875 MB of memory in use. ENERGY: 294400 638.1719 1840.0088 2005.6779 99.0064 0.4490 -1069.3392 0.0000 0.0000 2744.9347 6258.9095 303.1857 3513.9748 6293.1560 296.4627 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: 1165.01, 0.00395359/step Wall: 1165.01, 0.0039536/step, 2.42202 hours remaining, 111.296875 MB of memory in use. ENERGY: 294600 667.7308 1831.0049 2002.1174 100.9488 1.0078 -1077.8365 0.0000 0.0000 2740.1206 6265.0938 302.6539 3524.9733 6297.5943 300.8616 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: 1165.8, 0.00394731/step Wall: 1165.8, 0.00394731/step, 2.41795 hours remaining, 111.296875 MB of memory in use. ENERGY: 294800 695.2420 1807.3836 2005.7856 107.0918 -0.7988 -1093.3385 0.0000 0.0000 2701.5360 6222.9016 298.3922 3521.3656 6251.9914 299.9712 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: 1166.59, 0.00395278/step Wall: 1166.59, 0.00395278/step, 2.42107 hours remaining, 111.296875 MB of memory in use. ENERGY: 295000 678.6403 1813.9804 1972.4477 111.9331 -0.5997 -1065.1570 0.0000 0.0000 2702.4915 6213.7363 298.4977 3511.2448 6247.2873 297.8538 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: 1167.38, 0.00395373/step Wall: 1167.38, 0.00395373/step, 2.42144 hours remaining, 111.296875 MB of memory in use. ENERGY: 295200 676.3773 1808.5128 2010.7802 107.3903 -0.1988 -1112.0369 0.0000 0.0000 2723.1781 6214.0030 300.7826 3490.8249 6246.7674 297.4229 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: 1168.17, 0.0039521/step Wall: 1168.17, 0.0039521/step, 2.42022 hours remaining, 111.296875 MB of memory in use. ENERGY: 295400 673.8551 1828.1649 2001.9173 108.3334 -1.4615 -1068.2020 0.0000 0.0000 2661.0618 6203.6690 293.9217 3542.6072 6235.6616 295.6077 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: 1168.96, 0.00395344/step Wall: 1168.96, 0.00395344/step, 2.42082 hours remaining, 111.296875 MB of memory in use. ENERGY: 295600 647.3897 1876.7108 1998.9434 101.1145 -1.0496 -1084.1418 0.0000 0.0000 2625.4817 6164.4487 289.9918 3538.9670 6194.8579 295.2252 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: 1169.75, 0.00394892/step Wall: 1169.75, 0.00394892/step, 2.41783 hours remaining, 111.296875 MB of memory in use. ENERGY: 295800 661.6914 1887.8741 1965.5956 113.5876 -1.3479 -1086.5018 0.0000 0.0000 2691.8078 6232.7069 297.3177 3540.8991 6264.6372 296.5212 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: 1170.54, 0.00395283/step Wall: 1170.54, 0.00395283/step, 2.42001 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 296000 650.1971 1789.2069 1976.9587 113.9681 -0.5662 -1043.6137 0.0000 0.0000 2708.3685 6194.5194 299.1468 3486.1510 6230.7324 297.4687 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: 1171.33, 0.00395586/step Wall: 1171.33, 0.00395586/step, 2.42165 hours remaining, 111.296875 MB of memory in use. ENERGY: 296200 659.1523 1787.4169 1995.8819 109.7677 0.0066 -1033.5245 0.0000 0.0000 2712.0163 6230.7173 299.5498 3518.7010 6259.7728 297.7925 LDB: ============= START OF LOAD BALANCING ============== 1174.29 LDB: ============== END OF LOAD BALANCING =============== 1174.29 LDB: =============== DONE WITH MIGRATION ================ 1174.29 LDB: ============= START OF LOAD BALANCING ============== 1174.69 LDB: ============== END OF LOAD BALANCING =============== 1174.69 LDB: =============== DONE WITH MIGRATION ================ 1174.69 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: 1172.12, 0.00395934/step Wall: 1172.12, 0.00395934/step, 2.42356 hours remaining, 111.296875 MB of memory in use. ENERGY: 296400 686.8697 1849.7812 1970.9220 109.9275 -0.1810 -1078.1080 0.0000 0.0000 2720.9890 6260.2005 300.5408 3539.2115 6292.8246 299.8314 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: 1172.91, 0.00394809/step Wall: 1172.91, 0.00394809/step, 2.41645 hours remaining, 111.296875 MB of memory in use. ENERGY: 296600 667.1399 1877.5969 1980.9989 105.5546 -0.4903 -1036.0111 0.0000 0.0000 2665.2589 6260.0478 294.3853 3594.7890 6294.1470 301.2610 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: 1173.71, 0.00395396/step Wall: 1173.71, 0.00395396/step, 2.41983 hours remaining, 111.296875 MB of memory in use. ENERGY: 296800 657.4311 1848.5589 1973.1477 97.0390 0.0264 -1052.0301 0.0000 0.0000 2695.0848 6219.2578 297.6796 3524.1730 6248.7277 299.5474 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: 1174.5, 0.00395363/step Wall: 1174.5, 0.00395363/step, 2.4194 hours remaining, 111.296875 MB of memory in use. ENERGY: 297000 658.0551 1827.5767 1992.8337 123.1436 -1.5321 -1055.2870 0.0000 0.0000 2657.0007 6201.7906 293.4731 3544.7899 6233.9648 296.1691 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: 1175.29, 0.00395535/step Wall: 1175.29, 0.00395535/step, 2.42023 hours remaining, 111.296875 MB of memory in use. ENERGY: 297200 637.8118 1835.3263 1971.1222 101.3626 -0.3031 -1047.1841 0.0000 0.0000 2667.1091 6165.2448 294.5896 3498.1356 6197.1173 294.7209 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: 1176.08, 0.00395418/step Wall: 1176.08, 0.00395418/step, 2.4193 hours remaining, 111.296875 MB of memory in use. ENERGY: 297400 633.7401 1855.3269 1986.0905 115.9782 -1.6639 -1066.5661 0.0000 0.0000 2648.0210 6170.9267 292.4813 3522.9056 6201.0625 295.3731 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: 1176.87, 0.0039484/step Wall: 1176.87, 0.0039484/step, 2.41554 hours remaining, 111.296875 MB of memory in use. ENERGY: 297600 682.3018 1802.1958 1973.3002 106.1976 -0.7548 -1084.5520 0.0000 0.0000 2674.8332 6153.5218 295.4428 3478.6886 6185.5473 294.6418 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: 1177.66, 0.00395471/step Wall: 1177.66, 0.00395471/step, 2.41918 hours remaining, 111.296875 MB of memory in use. ENERGY: 297800 674.6124 1848.0096 1983.4605 103.6373 -2.1652 -1065.8857 0.0000 0.0000 2683.7660 6225.4348 296.4294 3541.6688 6260.2979 297.4331 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: 1178.45, 0.0039536/step Wall: 1178.45, 0.0039536/step, 2.41828 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 298000 656.7579 1810.4714 1954.0630 99.9485 -0.9786 -1062.2341 0.0000 0.0000 2736.0717 6194.0998 302.2067 3458.0280 6230.1952 299.3402 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: 1179.24, 0.00397125/step Wall: 1179.24, 0.00397125/step, 2.42886 hours remaining, 111.296875 MB of memory in use. ENERGY: 298200 658.3223 1815.0175 1992.9849 104.9255 -0.0854 -1050.0227 0.0000 0.0000 2642.8303 6163.9724 291.9080 3521.1421 6197.3073 296.7409 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: 1180.03, 0.00395067/step Wall: 1180.03, 0.00395067/step, 2.41606 hours remaining, 111.296875 MB of memory in use. ENERGY: 298400 650.7683 1840.3245 2003.1636 101.4254 -0.1471 -1073.9968 0.0000 0.0000 2671.0757 6192.6134 295.0278 3521.5377 6224.0141 298.2211 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: 1180.82, 0.00395544/step Wall: 1180.82, 0.00395544/step, 2.41875 hours remaining, 111.296875 MB of memory in use. ENERGY: 298600 656.7960 1840.5479 1993.6954 108.8316 -2.1681 -1056.4443 0.0000 0.0000 2646.8260 6188.0846 292.3493 3541.2586 6219.5328 297.8170 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: 1181.62, 0.00395569/step Wall: 1181.62, 0.00395569/step, 2.41868 hours remaining, 111.296875 MB of memory in use. ENERGY: 298800 677.0246 1854.8439 1989.6764 110.4652 0.3918 -1109.2752 0.0000 0.0000 2652.1995 6175.3262 292.9428 3523.1267 6206.5925 296.2090 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: 1182.41, 0.00395249/step Wall: 1182.41, 0.00395249/step, 2.41651 hours remaining, 111.296875 MB of memory in use. ENERGY: 299000 658.6576 1863.1502 1997.6504 101.7875 -0.9383 -1060.9160 0.0000 0.0000 2622.3010 6181.6925 289.6405 3559.3915 6210.9180 294.5309 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: 1183.2, 0.00395211/step Wall: 1183.2, 0.00395211/step, 2.41606 hours remaining, 111.296875 MB of memory in use. ENERGY: 299200 629.4897 1851.2725 1971.9339 104.2098 0.7585 -1050.1776 0.0000 0.0000 2703.3136 6210.8005 298.5885 3507.4869 6245.7577 296.9699 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: 1183.99, 0.00395255/step Wall: 1183.99, 0.00395255/step, 2.41611 hours remaining, 111.296875 MB of memory in use. ENERGY: 299400 654.0743 1847.5776 1984.1854 108.6939 -1.2800 -1074.2942 0.0000 0.0000 2748.2909 6267.2479 303.5564 3518.9570 6301.4743 299.6485 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: 1184.78, 0.00394755/step Wall: 1184.78, 0.00394755/step, 2.41283 hours remaining, 111.296875 MB of memory in use. ENERGY: 299600 655.4229 1844.6977 1985.7891 114.6535 0.2292 -1066.6796 0.0000 0.0000 2716.3376 6250.4503 300.0270 3534.1128 6286.1724 298.0349 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: 1185.57, 0.00395362/step Wall: 1185.57, 0.00395362/step, 2.41632 hours remaining, 111.296875 MB of memory in use. ENERGY: 299800 648.2138 1859.6920 2011.0301 94.7021 1.1903 -1041.2590 0.0000 0.0000 2692.4851 6266.0544 297.3925 3573.5693 6299.5877 300.9112 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: 1186.36, 0.00395388/step Wall: 1186.36, 0.00395388/step, 2.41626 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 300000 657.6126 1829.9744 1978.8713 99.0979 1.6360 -1033.4403 0.0000 0.0000 2724.5343 6258.2863 300.9324 3533.7519 6291.8122 298.2933 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1187.19, 0.00416067/step Wall: 1187.19, 0.00416067/step, 2.5424 hours remaining, 111.296875 MB of memory in use. ENERGY: 300200 647.2976 1846.1213 2002.6869 117.2949 1.0005 -1096.3153 0.0000 0.0000 2672.0892 6190.1751 295.1397 3518.0858 6222.6962 298.3187 LDB: ============= START OF LOAD BALANCING ============== 1190.15 LDB: ============== END OF LOAD BALANCING =============== 1190.15 LDB: =============== DONE WITH MIGRATION ================ 1190.15 LDB: ============= START OF LOAD BALANCING ============== 1190.55 LDB: ============== END OF LOAD BALANCING =============== 1190.55 LDB: =============== DONE WITH MIGRATION ================ 1190.55 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: 1187.98, 0.00395897/step Wall: 1187.98, 0.00395897/step, 2.41893 hours remaining, 111.296875 MB of memory in use. ENERGY: 300400 643.6074 1829.9137 1990.6288 99.2299 -0.2171 -1042.0705 0.0000 0.0000 2635.1091 6156.2012 291.0551 3521.0921 6185.8135 294.9385 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: 1188.77, 0.00394754/step Wall: 1188.77, 0.00394754/step, 2.41173 hours remaining, 111.296875 MB of memory in use. ENERGY: 300600 636.5056 1850.9802 2002.8960 99.5506 -0.2838 -1064.5276 0.0000 0.0000 2661.3480 6186.4690 293.9533 3525.1210 6221.3948 292.6052 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: 1189.56, 0.00395755/step Wall: 1189.56, 0.00395755/step, 2.41762 hours remaining, 111.296875 MB of memory in use. ENERGY: 300800 651.7534 1824.8942 2000.6632 103.4694 -1.1182 -1036.9203 0.0000 0.0000 2669.7614 6212.5030 294.8826 3542.7416 6244.1682 296.2929 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: 1190.35, 0.00395408/step Wall: 1190.35, 0.00395408/step, 2.41528 hours remaining, 111.296875 MB of memory in use. ENERGY: 301000 671.8482 1823.9693 1998.8462 110.6377 -0.5209 -1033.6373 0.0000 0.0000 2649.7324 6220.8758 292.6703 3571.1434 6255.8652 296.9119 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: 1191.15, 0.00395477/step Wall: 1191.15, 0.00395477/step, 2.41549 hours remaining, 111.296875 MB of memory in use. ENERGY: 301200 670.3562 1895.2256 2009.0270 111.7857 -0.9991 -1086.1218 0.0000 0.0000 2660.3600 6259.6336 293.8442 3599.2736 6292.5141 296.4394 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: 1191.93, 0.00394714/step Wall: 1191.93, 0.00394714/step, 2.41061 hours remaining, 111.296875 MB of memory in use. ENERGY: 301400 665.8855 1910.6494 2017.3370 122.0574 -2.4254 -1059.7900 0.0000 0.0000 2715.2641 6368.9780 299.9085 3653.7139 6400.8402 302.2508 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: 1192.73, 0.00395302/step Wall: 1192.73, 0.00395302/step, 2.41397 hours remaining, 111.296875 MB of memory in use. ENERGY: 301600 664.5644 1880.1493 1956.9007 118.0314 0.0525 -1045.8470 0.0000 0.0000 2842.1980 6416.0491 313.9287 3573.8511 6446.9997 304.6045 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: 1193.52, 0.00395341/step Wall: 1193.52, 0.00395341/step, 2.414 hours remaining, 111.296875 MB of memory in use. ENERGY: 301800 703.7046 1828.4217 2004.5945 111.6096 -0.0135 -1076.3305 0.0000 0.0000 2731.8674 6303.8538 301.7424 3571.9864 6337.7102 304.4730 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: 1194.31, 0.0039529/step Wall: 1194.31, 0.0039529/step, 2.41347 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 302000 678.2334 1835.9910 1984.0309 105.4042 -0.2674 -1038.1319 0.0000 0.0000 2730.4898 6295.7500 301.5902 3565.2602 6330.0688 300.3694 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: 1195.1, 0.00395386/step Wall: 1195.1, 0.00395386/step, 2.41383 hours remaining, 111.296875 MB of memory in use. ENERGY: 302200 675.3377 1833.4940 2005.3295 118.5597 0.8703 -1053.1881 0.0000 0.0000 2687.2152 6267.6182 296.8104 3580.4030 6302.6146 299.7429 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: 1195.89, 0.00394688/step Wall: 1195.89, 0.00394688/step, 2.40935 hours remaining, 111.296875 MB of memory in use. ENERGY: 302400 703.8089 1887.1783 1996.0529 99.8426 0.0421 -1070.1838 0.0000 0.0000 2671.5041 6288.2451 295.0751 3616.7409 6320.4710 301.6329 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: 1196.68, 0.00395458/step Wall: 1196.68, 0.00395458/step, 2.41383 hours remaining, 111.296875 MB of memory in use. ENERGY: 302600 677.2124 1861.9397 2008.5159 109.3763 0.0040 -1077.4551 0.0000 0.0000 2679.9792 6259.5724 296.0112 3579.5932 6292.6586 300.4689 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: 1197.47, 0.00395481/step Wall: 1197.47, 0.00395481/step, 2.41375 hours remaining, 111.296875 MB of memory in use. ENERGY: 302800 635.3692 1862.8082 2023.6892 122.5699 0.2840 -1035.8620 0.0000 0.0000 2663.3606 6272.2191 294.1756 3608.8585 6305.1207 299.1949 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: 1198.26, 0.00395367/step Wall: 1198.26, 0.00395367/step, 2.41284 hours remaining, 111.296875 MB of memory in use. ENERGY: 303000 678.7327 1828.4072 1983.5220 102.0582 0.3883 -1051.7460 0.0000 0.0000 2774.3675 6315.7299 306.4366 3541.3624 6353.8166 301.4701 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: 1199.05, 0.00395543/step Wall: 1199.05, 0.00395543/step, 2.41369 hours remaining, 111.296875 MB of memory in use. ENERGY: 303200 715.2980 1833.9005 2008.6663 123.1691 1.0408 -1089.6541 0.0000 0.0000 2715.8606 6308.2812 299.9744 3592.4206 6343.5450 300.9508 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: 1199.84, 0.00394811/step Wall: 1199.84, 0.00394811/step, 2.409 hours remaining, 111.296875 MB of memory in use. ENERGY: 303400 655.8878 1826.8364 1977.4243 108.6709 0.1550 -1016.1912 0.0000 0.0000 2742.1571 6294.9403 302.8789 3552.7832 6328.9082 302.2925 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: 1200.63, 0.0039558/step Wall: 1200.63, 0.0039558/step, 2.41348 hours remaining, 111.296875 MB of memory in use. ENERGY: 303600 678.8208 1869.2874 2004.9366 113.5925 1.5411 -1045.8469 0.0000 0.0000 2726.4711 6348.8026 301.1463 3622.3315 6380.6395 304.6540 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: 1201.42, 0.00395553/step Wall: 1201.42, 0.00395553/step, 2.4131 hours remaining, 111.296875 MB of memory in use. ENERGY: 303800 674.5543 1834.5230 1997.9101 101.2240 0.5279 -1040.6191 0.0000 0.0000 2778.8427 6346.9628 306.9309 3568.1201 6379.5093 304.4640 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: 1202.21, 0.0039554/step Wall: 1202.21, 0.0039554/step, 2.41279 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 304000 657.1621 1815.0650 1996.8610 122.8745 2.1610 -1063.5097 0.0000 0.0000 2776.2113 6306.8253 306.6403 3530.6139 6341.6280 302.2339 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: 1203, 0.00395464/step Wall: 1203, 0.00395464/step, 2.41211 hours remaining, 111.296875 MB of memory in use. ENERGY: 304200 653.3482 1835.2420 2006.6792 117.3376 1.7149 -1021.2734 0.0000 0.0000 2737.5077 6330.5562 302.3653 3593.0485 6364.6737 301.7990 LDB: ============= START OF LOAD BALANCING ============== 1205.96 LDB: ============== END OF LOAD BALANCING =============== 1205.96 LDB: =============== DONE WITH MIGRATION ================ 1205.96 LDB: ============= START OF LOAD BALANCING ============== 1206.36 LDB: ============== END OF LOAD BALANCING =============== 1206.36 LDB: =============== DONE WITH MIGRATION ================ 1206.36 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: 1203.79, 0.00395198/step Wall: 1203.79, 0.00395198/step, 2.41027 hours remaining, 111.296875 MB of memory in use. ENERGY: 304400 688.5091 1883.6628 1992.6985 115.7198 2.6258 -1030.5504 0.0000 0.0000 2626.7597 6279.4253 290.1329 3652.6656 6309.4495 300.8612 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: 1204.59, 0.00395448/step Wall: 1204.59, 0.00395448/step, 2.41158 hours remaining, 111.296875 MB of memory in use. ENERGY: 304600 693.4454 1868.2762 1976.8421 116.9846 0.9102 -1020.9483 0.0000 0.0000 2745.3089 6380.8189 303.2270 3635.5100 6413.1422 301.8369 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: 1205.38, 0.00395457/step Wall: 1205.38, 0.00395457/step, 2.41141 hours remaining, 111.296875 MB of memory in use. ENERGY: 304800 679.0161 1846.1655 1998.4006 97.8058 1.1061 -1030.2208 0.0000 0.0000 2748.8938 6341.1673 303.6230 3592.2734 6374.7492 304.2827 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: 1206.17, 0.00395334/step Wall: 1206.17, 0.00395334/step, 2.41044 hours remaining, 111.296875 MB of memory in use. ENERGY: 305000 648.0534 1845.0896 2013.7678 104.1604 2.1145 -1027.0730 0.0000 0.0000 2755.4504 6341.5631 304.3472 3586.1127 6377.7710 303.0675 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: 1206.96, 0.00394621/step Wall: 1206.96, 0.0039462/step, 2.40587 hours remaining, 111.296875 MB of memory in use. ENERGY: 305200 701.7318 1843.9322 2001.3979 113.3946 1.3304 -1061.8924 0.0000 0.0000 2700.7033 6300.5977 298.3002 3599.8944 6334.7626 302.2719 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: 1207.75, 0.00395687/step Wall: 1207.75, 0.00395688/step, 2.41216 hours remaining, 111.296875 MB of memory in use. ENERGY: 305400 661.2479 1839.0248 2008.0831 108.0868 1.8866 -1024.7646 0.0000 0.0000 2721.5651 6315.1298 300.6044 3593.5647 6351.3403 301.3891 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: 1208.54, 0.00395427/step Wall: 1208.54, 0.00395427/step, 2.41035 hours remaining, 111.296875 MB of memory in use. ENERGY: 305600 660.3810 1885.1576 1978.8318 109.3083 2.4062 -1006.4702 0.0000 0.0000 2726.0773 6355.6919 301.1028 3629.6146 6385.9844 303.5581 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: 1209.33, 0.00395349/step Wall: 1209.33, 0.00395349/step, 2.40965 hours remaining, 111.296875 MB of memory in use. ENERGY: 305800 644.8865 1834.9432 2009.5846 113.2837 -0.7443 -1014.5305 0.0000 0.0000 2774.9254 6362.3486 306.4982 3587.4232 6397.8122 303.3001 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: 1210.12, 0.00395331/step Wall: 1210.12, 0.00395331/step, 2.40932 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 306000 647.2412 1827.2348 1998.5799 106.4319 0.0872 -1036.1833 0.0000 0.0000 2672.4067 6215.7984 295.1748 3543.3917 6250.5686 300.7845 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: 1210.91, 0.00394642/step Wall: 1210.91, 0.00394643/step, 2.40491 hours remaining, 111.296875 MB of memory in use. ENERGY: 306200 622.2350 1846.3608 1973.7136 98.3301 -0.5487 -1013.9933 0.0000 0.0000 2687.0336 6213.1311 296.7903 3526.0975 6248.1846 297.5314 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: 1211.7, 0.00395433/step Wall: 1211.7, 0.00395433/step, 2.40951 hours remaining, 111.296875 MB of memory in use. ENERGY: 306400 636.4076 1851.9502 1985.4481 116.2080 -0.9491 -1022.6622 0.0000 0.0000 2658.8182 6225.2207 293.6739 3566.4026 6258.0967 296.5280 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: 1212.49, 0.0039528/step Wall: 1212.49, 0.0039528/step, 2.40836 hours remaining, 111.296875 MB of memory in use. ENERGY: 306600 689.6550 1810.9521 1995.7408 104.3669 -1.4234 -1062.7571 0.0000 0.0000 2709.7136 6246.2479 299.2954 3536.5343 6280.1941 298.0248 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: 1213.28, 0.00395592/step Wall: 1213.28, 0.00395592/step, 2.41003 hours remaining, 111.296875 MB of memory in use. ENERGY: 306800 650.7179 1829.5163 2011.6792 113.5182 -0.7067 -1035.6834 0.0000 0.0000 2731.1689 6300.2105 301.6652 3569.0416 6331.7456 301.5728 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: 1214.07, 0.00395378/step Wall: 1214.07, 0.00395378/step, 2.40851 hours remaining, 111.296875 MB of memory in use. ENERGY: 307000 650.0194 1829.1978 2031.8518 110.6556 -0.4343 -1047.7913 0.0000 0.0000 2656.3640 6229.8631 293.4028 3573.4991 6260.8731 298.4395 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: 1214.86, 0.00394533/step Wall: 1214.86, 0.00394533/step, 2.40314 hours remaining, 111.296875 MB of memory in use. ENERGY: 307200 638.6025 1842.1771 2009.2349 111.4087 -1.1760 -1025.3563 0.0000 0.0000 2639.5238 6214.4146 291.5428 3574.8909 6243.3297 296.6635 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: 1215.65, 0.00395301/step Wall: 1215.65, 0.00395301/step, 2.4076 hours remaining, 111.296875 MB of memory in use. ENERGY: 307400 620.1849 1841.2785 2006.2796 109.4726 -0.7625 -1040.8881 0.0000 0.0000 2662.9223 6198.4872 294.1272 3535.5650 6229.9124 295.5402 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: 1216.44, 0.00395175/step Wall: 1216.44, 0.00395175/step, 2.40661 hours remaining, 111.296875 MB of memory in use. ENERGY: 307600 648.0284 1838.7741 1962.0184 104.7478 -0.2466 -1051.0227 0.0000 0.0000 2669.8448 6172.1442 294.8918 3502.2994 6206.3043 294.9942 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: 1217.23, 0.00395388/step Wall: 1217.23, 0.00395388/step, 2.40769 hours remaining, 111.296875 MB of memory in use. ENERGY: 307800 654.4436 1818.4271 2016.8552 114.4352 -0.5201 -1069.8041 0.0000 0.0000 2625.1423 6158.9791 289.9543 3533.8369 6190.9916 293.7625 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: 1218.02, 0.00395288/step Wall: 1218.02, 0.00395288/step, 2.40686 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 308000 670.5661 1841.5798 2001.3633 98.6440 -0.5128 -1044.4246 0.0000 0.0000 2636.3467 6203.5625 291.1918 3567.2158 6232.8852 295.3673 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: 1218.81, 0.00395399/step Wall: 1218.81, 0.00395399/step, 2.40732 hours remaining, 111.296875 MB of memory in use. ENERGY: 308200 648.3171 1761.6188 1976.6142 98.9627 0.0335 -1049.6436 0.0000 0.0000 2709.6290 6145.5317 299.2861 3435.9027 6179.1015 294.4028 LDB: ============= START OF LOAD BALANCING ============== 1221.78 LDB: ============== END OF LOAD BALANCING =============== 1221.78 LDB: =============== DONE WITH MIGRATION ================ 1221.78 LDB: ============= START OF LOAD BALANCING ============== 1222.17 LDB: ============== END OF LOAD BALANCING =============== 1222.17 LDB: =============== DONE WITH MIGRATION ================ 1222.17 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: 1219.61, 0.00395969/step Wall: 1219.61, 0.00395969/step, 2.41057 hours remaining, 111.296875 MB of memory in use. ENERGY: 308400 635.1181 1817.6971 1960.8966 100.8436 -1.2867 -1006.6601 0.0000 0.0000 2692.7392 6199.3479 297.4205 3506.6087 6229.7631 293.5459 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: 1220.4, 0.00395257/step Wall: 1220.4, 0.00395257/step, 2.40602 hours remaining, 111.296875 MB of memory in use. ENERGY: 308600 642.3475 1819.7722 2016.4441 107.9788 -0.3252 -1038.2303 0.0000 0.0000 2662.9891 6210.9761 294.1346 3547.9870 6240.4762 295.1383 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: 1221.19, 0.00395337/step Wall: 1221.19, 0.00395336/step, 2.40628 hours remaining, 111.296875 MB of memory in use. ENERGY: 308800 672.0081 1821.2142 1967.6108 104.1004 0.2709 -1021.1471 0.0000 0.0000 2746.3134 6290.3708 303.3380 3544.0573 6324.9420 298.1179 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: 1221.98, 0.00394676/step Wall: 1221.98, 0.00394676/step, 2.40204 hours remaining, 111.296875 MB of memory in use. ENERGY: 309000 649.4749 1848.9194 1992.2346 114.4252 0.2794 -1002.3238 0.0000 0.0000 2698.9279 6301.9376 298.1041 3603.0097 6334.6000 299.7440 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: 1222.77, 0.00395085/step Wall: 1222.77, 0.00395085/step, 2.40431 hours remaining, 111.296875 MB of memory in use. ENERGY: 309200 639.1956 1868.0513 1975.8176 112.1281 -0.7510 -1010.6634 0.0000 0.0000 2724.7887 6308.5668 300.9605 3583.7781 6341.5020 301.6676 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: 1223.56, 0.00395249/step Wall: 1223.56, 0.00395249/step, 2.40509 hours remaining, 111.296875 MB of memory in use. ENERGY: 309400 647.7443 1876.8713 1993.8326 107.6444 -1.0454 -1043.3105 0.0000 0.0000 2772.0171 6353.7538 306.1770 3581.7367 6389.7229 300.3028 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: 1224.35, 0.00395239/step Wall: 1224.35, 0.00395239/step, 2.40481 hours remaining, 111.296875 MB of memory in use. ENERGY: 309600 672.5693 1919.2677 2003.8766 117.4800 1.0854 -1036.2673 0.0000 0.0000 2691.8608 6369.8725 297.3235 3678.0117 6403.1823 304.6821 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: 1225.14, 0.00395284/step Wall: 1225.14, 0.00395283/step, 2.40486 hours remaining, 111.296875 MB of memory in use. ENERGY: 309800 635.6320 1883.4976 1979.9665 91.8172 -0.5377 -1045.8039 0.0000 0.0000 2769.7836 6314.3552 305.9303 3544.5716 6349.5888 302.1692 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: 1225.93, 0.00394699/step Wall: 1225.93, 0.003947/step, 2.40109 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 310000 666.6128 1905.2062 2008.5437 114.5224 0.4327 -1063.8492 0.0000 0.0000 2715.4996 6346.9681 299.9345 3631.4685 6381.7794 301.2024 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 310000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1226.75, 0.004116/step Wall: 1226.75, 0.00411599/step, 2.50366 hours remaining, 111.296875 MB of memory in use. ENERGY: 310200 669.8703 1888.3228 2015.1077 101.1737 -0.1163 -1065.1277 0.0000 0.0000 2748.3013 6357.5317 303.5575 3609.2305 6391.4701 302.3328 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: 1227.54, 0.00395112/step Wall: 1227.54, 0.00395113/step, 2.40316 hours remaining, 111.296875 MB of memory in use. ENERGY: 310400 649.4734 1852.9646 1999.2407 104.3108 -1.2818 -1032.9351 0.0000 0.0000 2768.3296 6340.1022 305.7697 3571.7726 6376.5975 303.5433 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: 1228.33, 0.00395053/step Wall: 1228.33, 0.00395053/step, 2.40258 hours remaining, 111.296875 MB of memory in use. ENERGY: 310600 636.0856 1820.7539 2008.7200 103.5705 0.1247 -1051.4404 0.0000 0.0000 2760.9529 6278.7671 304.9549 3517.8141 6314.3551 302.4804 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: 1229.12, 0.00395216/step Wall: 1229.12, 0.00395216/step, 2.40335 hours remaining, 111.296875 MB of memory in use. ENERGY: 310800 658.8666 1843.4235 1998.6030 111.9141 -0.9375 -1050.9103 0.0000 0.0000 2702.6591 6263.6185 298.5162 3560.9593 6297.1197 300.1832 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: 1229.91, 0.00394419/step Wall: 1229.91, 0.00394419/step, 2.39829 hours remaining, 111.296875 MB of memory in use. ENERGY: 311000 623.6873 1856.6164 2000.4372 112.0187 -1.2073 -1012.1125 0.0000 0.0000 2668.0871 6247.5269 294.6977 3579.4398 6280.3230 299.2530 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: 1230.7, 0.00394936/step Wall: 1230.7, 0.00394936/step, 2.40121 hours remaining, 111.296875 MB of memory in use. ENERGY: 311200 689.9256 1822.1728 2014.0216 104.2621 -1.8071 -1062.6318 0.0000 0.0000 2738.4066 6304.3498 302.4646 3565.9433 6340.1378 300.2971 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: 1231.49, 0.0039486/step Wall: 1231.49, 0.0039486/step, 2.40053 hours remaining, 111.296875 MB of memory in use. ENERGY: 311400 698.1947 1800.2345 2009.9650 95.1087 -1.3175 -1052.0642 0.0000 0.0000 2712.1340 6262.2553 299.5628 3550.1213 6294.0252 300.5450 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: 1232.28, 0.00395223/step Wall: 1232.28, 0.00395223/step, 2.40252 hours remaining, 111.296875 MB of memory in use. ENERGY: 311600 669.7620 1822.8339 2003.0050 113.8569 -1.4521 -1035.5431 0.0000 0.0000 2683.4379 6255.9004 296.3932 3572.4625 6289.6234 299.5360 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: 1233.07, 0.00395316/step Wall: 1233.07, 0.00395316/step, 2.40287 hours remaining, 111.296875 MB of memory in use. ENERGY: 311800 660.9676 1855.2919 1989.3751 93.3202 -0.7405 -1087.6459 0.0000 0.0000 2715.4318 6226.0002 299.9270 3510.5684 6258.3067 297.8426 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: 1233.86, 0.00394616/step Wall: 1233.86, 0.00394616/step, 2.39839 hours remaining, 111.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 312000 667.9526 1854.6773 1968.1965 112.7653 -0.0327 -1043.4469 0.0000 0.0000 2660.6993 6220.8114 293.8816 3560.1121 6252.3547 296.6543 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: 1234.65, 0.00395141/step Wall: 1234.65, 0.00395141/step, 2.40136 hours remaining, 111.296875 MB of memory in use. ENERGY: 312200 680.4496 1811.5516 1998.0947 105.8736 -0.2594 -1059.7521 0.0000 0.0000 2677.0773 6213.0353 295.6906 3535.9580 6246.5805 297.8908 LDB: ============= START OF LOAD BALANCING ============== 1237.61 LDB: ============== END OF LOAD BALANCING =============== 1237.61 LDB: =============== DONE WITH MIGRATION ================ 1237.61 LDB: ============= START OF LOAD BALANCING ============== 1238.01 LDB: ============== END OF LOAD BALANCING =============== 1238.01 LDB: =============== DONE WITH MIGRATION ================ 1238.01 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: 1235.44, 0.00395591/step Wall: 1235.44, 0.00395591/step, 2.40388 hours remaining, 111.296875 MB of memory in use. ENERGY: 312400 632.9493 1867.1307 2006.5467 102.5055 0.9815 -1021.6114 0.0000 0.0000 2648.1230 6236.6253 292.4926 3588.5023 6264.3445 298.1725 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: 1236.23, 0.00395196/step Wall: 1236.23, 0.00395196/step, 2.40126 hours remaining, 111.378906 MB of memory in use. ENERGY: 312600 646.3127 1825.0744 2007.6865 96.3305 0.1945 -1044.8776 0.0000 0.0000 2676.2966 6207.0176 295.6044 3530.7210 6239.3324 297.2052 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: 1237.02, 0.00394715/step Wall: 1237.02, 0.00394715/step, 2.39812 hours remaining, 111.378906 MB of memory in use. ENERGY: 312800 619.3752 1853.3279 1965.6165 109.2036 -1.8734 -1017.3243 0.0000 0.0000 2673.4298 6201.7553 295.2878 3528.3255 6236.0603 295.8148 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: 1237.81, 0.00395053/step Wall: 1237.81, 0.00395053/step, 2.39994 hours remaining, 111.378906 MB of memory in use. ENERGY: 313000 645.7623 1827.5546 2010.6603 118.1856 -0.7278 -1048.7707 0.0000 0.0000 2669.7971 6222.4614 294.8865 3552.6642 6257.3904 298.4934 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: 1238.6, 0.00394938/step Wall: 1238.6, 0.00394938/step, 2.39903 hours remaining, 111.378906 MB of memory in use. ENERGY: 313200 638.5278 1881.2887 1990.8701 113.2292 0.0860 -1055.6209 0.0000 0.0000 2674.2128 6242.5939 295.3743 3568.3810 6277.0637 298.0262 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: 1239.39, 0.00394987/step Wall: 1239.39, 0.00394987/step, 2.3991 hours remaining, 111.378906 MB of memory in use. ENERGY: 313400 673.5492 1840.0451 1982.3954 109.0245 -0.8926 -1044.6081 0.0000 0.0000 2738.8692 6298.3827 302.5157 3559.5135 6334.7337 299.1513 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: 1240.18, 0.00394982/step Wall: 1240.18, 0.00394982/step, 2.39886 hours remaining, 111.378906 MB of memory in use. ENERGY: 313600 642.0742 1834.9620 1988.1473 103.3583 -0.2154 -1000.2598 0.0000 0.0000 2722.9187 6290.9854 300.7540 3568.0667 6327.6144 300.4692 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: 1240.98, 0.00396527/step Wall: 1240.98, 0.00396527/step, 2.40802 hours remaining, 111.378906 MB of memory in use. ENERGY: 313800 659.9881 1885.5488 2024.8552 105.5044 -1.3032 -1059.8757 0.0000 0.0000 2641.8255 6256.5430 291.7970 3614.7175 6284.8477 302.3462 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: 1241.77, 0.00395504/step Wall: 1241.77, 0.00395504/step, 2.40159 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 314000 636.6501 1869.3676 1995.5359 108.7751 -0.6448 -1042.6759 0.0000 0.0000 2711.3198 6278.3276 299.4728 3567.0079 6311.4160 299.6263 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: 1242.56, 0.00395184/step Wall: 1242.56, 0.00395183/step, 2.39942 hours remaining, 111.378906 MB of memory in use. ENERGY: 314200 679.2294 1851.5515 1988.1361 96.0559 -2.0853 -1051.0866 0.0000 0.0000 2682.2465 6244.0475 296.2616 3561.8010 6276.5833 299.8349 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: 1243.35, 0.00394972/step Wall: 1243.35, 0.00394972/step, 2.39792 hours remaining, 111.378906 MB of memory in use. ENERGY: 314400 653.8820 1850.8329 2002.3564 107.0957 -0.0446 -1095.3489 0.0000 0.0000 2672.8666 6191.6401 295.2256 3518.7735 6223.9189 296.8252 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: 1244.14, 0.00395118/step Wall: 1244.14, 0.00395118/step, 2.39859 hours remaining, 111.378906 MB of memory in use. ENERGY: 314600 681.0320 1826.9274 1978.8982 110.4941 0.2872 -1041.9230 0.0000 0.0000 2649.0513 6204.7673 292.5951 3555.7160 6236.6316 296.9060 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: 1244.93, 0.00394629/step Wall: 1244.93, 0.00394629/step, 2.3954 hours remaining, 111.378906 MB of memory in use. ENERGY: 314800 704.1457 1765.9271 2028.6234 121.6245 0.0663 -1041.2186 0.0000 0.0000 2673.8150 6252.9836 295.3303 3579.1685 6285.8219 298.4370 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: 1245.72, 0.00394952/step Wall: 1245.72, 0.00394952/step, 2.39714 hours remaining, 111.378906 MB of memory in use. ENERGY: 315000 648.9511 1823.8234 2021.7666 93.5555 -0.1532 -1047.6083 0.0000 0.0000 2669.4908 6209.8259 294.8527 3540.3351 6243.2169 298.7969 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: 1246.51, 0.00395025/step Wall: 1246.51, 0.00395025/step, 2.39736 hours remaining, 111.378906 MB of memory in use. ENERGY: 315200 669.9028 1790.6926 1991.2561 109.9939 0.7067 -1075.6404 0.0000 0.0000 2703.2992 6190.2109 298.5869 3486.9117 6222.7524 296.1484 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: 1247.3, 0.00395129/step Wall: 1247.3, 0.00395129/step, 2.39778 hours remaining, 111.378906 MB of memory in use. ENERGY: 315400 655.0718 1833.7570 1990.7285 106.4087 0.8081 -1090.6349 0.0000 0.0000 2702.4646 6198.6038 298.4947 3496.1392 6234.0063 297.7089 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: 1248.09, 0.00394939/step Wall: 1248.09, 0.00394939/step, 2.3964 hours remaining, 111.378906 MB of memory in use. ENERGY: 315600 663.8053 1853.8282 1994.1125 112.1733 -1.0898 -1093.4033 0.0000 0.0000 2697.4766 6226.9027 297.9438 3529.4261 6258.1228 297.6582 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: 1248.87, 0.0039441/step Wall: 1248.87, 0.0039441/step, 2.39297 hours remaining, 111.378906 MB of memory in use. ENERGY: 315800 625.1406 1858.5040 1981.3600 112.5731 -1.5634 -1072.5355 0.0000 0.0000 2724.9124 6228.3912 300.9742 3503.4788 6260.9541 300.1607 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: 1249.66, 0.00394836/step Wall: 1249.66, 0.00394835/step, 2.39534 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 316000 688.7837 1830.4047 1993.2513 116.5160 -0.9495 -1065.6308 0.0000 0.0000 2682.3272 6244.7025 296.2705 3562.3753 6275.4342 300.5541 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: 1250.45, 0.00394961/step Wall: 1250.45, 0.00394962/step, 2.39588 hours remaining, 111.378906 MB of memory in use. ENERGY: 316200 639.9968 1829.2387 1990.7497 111.7441 0.3604 -1063.5027 0.0000 0.0000 2711.4643 6220.0512 299.4888 3508.5869 6254.0353 299.5718 LDB: ============= START OF LOAD BALANCING ============== 1253.41 LDB: ============== END OF LOAD BALANCING =============== 1253.41 LDB: =============== DONE WITH MIGRATION ================ 1253.41 LDB: ============= START OF LOAD BALANCING ============== 1253.81 LDB: ============== END OF LOAD BALANCING =============== 1253.81 LDB: =============== DONE WITH MIGRATION ================ 1253.81 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: 1251.25, 0.00395439/step Wall: 1251.25, 0.00395439/step, 2.39856 hours remaining, 111.378906 MB of memory in use. ENERGY: 316400 684.4080 1836.0420 1990.6293 111.7318 -0.1511 -1055.8995 0.0000 0.0000 2643.7119 6210.4724 292.0053 3566.7605 6242.1412 296.9420 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: 1252.03, 0.00394379/step Wall: 1252.03, 0.00394379/step, 2.39191 hours remaining, 111.378906 MB of memory in use. ENERGY: 316600 652.2813 1840.3228 2003.3359 129.7584 -0.3170 -1061.3875 0.0000 0.0000 2615.7982 6179.7922 288.9222 3563.9940 6212.1261 296.3436 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: 1252.82, 0.00394861/step Wall: 1252.82, 0.00394861/step, 2.39461 hours remaining, 111.378906 MB of memory in use. ENERGY: 316800 627.1314 1846.8705 1981.2985 98.2185 0.1893 -1086.7965 0.0000 0.0000 2699.5549 6166.4667 298.1734 3466.9118 6199.5252 297.7868 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: 1253.61, 0.0039484/step Wall: 1253.61, 0.0039484/step, 2.39426 hours remaining, 111.378906 MB of memory in use. ENERGY: 317000 646.3310 1856.2254 1968.4598 111.4332 0.1930 -1080.8084 0.0000 0.0000 2666.6121 6168.4460 294.5347 3501.8340 6202.3910 295.8899 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: 1254.4, 0.00394987/step Wall: 1254.4, 0.00394987/step, 2.39493 hours remaining, 111.378906 MB of memory in use. ENERGY: 317200 628.1534 1801.9283 1985.3979 105.6187 -0.2518 -1078.2339 0.0000 0.0000 2693.6394 6136.2520 297.5200 3442.6126 6169.2872 294.5993 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: 1255.19, 0.00394941/step Wall: 1255.19, 0.00394941/step, 2.39444 hours remaining, 111.378906 MB of memory in use. ENERGY: 317400 674.6503 1785.2774 2011.0487 110.4981 0.1394 -1059.9566 0.0000 0.0000 2682.5349 6204.1921 296.2935 3521.6572 6233.7825 294.9446 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: 1255.98, 0.00394584/step Wall: 1255.98, 0.00394584/step, 2.39206 hours remaining, 111.378906 MB of memory in use. ENERGY: 317600 678.4356 1807.9794 1967.8995 111.1729 -0.1150 -1063.1884 0.0000 0.0000 2711.0005 6213.1845 299.4376 3502.1840 6244.3231 296.5886 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: 1256.77, 0.00394856/step Wall: 1256.77, 0.00394855/step, 2.39348 hours remaining, 111.378906 MB of memory in use. ENERGY: 317800 644.4199 1822.7729 2009.6967 105.8141 1.1798 -1091.7505 0.0000 0.0000 2725.8959 6218.0289 301.0828 3492.1329 6251.0015 297.2696 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: 1257.56, 0.0039518/step Wall: 1257.56, 0.0039518/step, 2.39523 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 318000 623.1503 1868.2798 2007.8550 121.5041 0.4003 -1015.2500 0.0000 0.0000 2633.6111 6239.5505 290.8897 3605.9394 6272.1529 297.8974 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: 1258.35, 0.00396082/step Wall: 1258.35, 0.00396082/step, 2.40048 hours remaining, 111.378906 MB of memory in use. ENERGY: 318200 688.5718 1796.1009 2001.8500 95.7743 1.3645 -1082.3043 0.0000 0.0000 2701.9588 6203.3159 298.4389 3501.3570 6236.4671 296.8304 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: 1259.15, 0.00395495/step Wall: 1259.15, 0.00395495/step, 2.3967 hours remaining, 111.378906 MB of memory in use. ENERGY: 318400 681.6262 1817.7138 2001.5079 102.9697 -0.0723 -1086.8276 0.0000 0.0000 2691.2391 6208.1568 297.2549 3516.9177 6241.1824 297.0855 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: 1259.93, 0.00394597/step Wall: 1259.93, 0.00394597/step, 2.39104 hours remaining, 111.378906 MB of memory in use. ENERGY: 318600 656.7322 1865.6890 1983.4197 103.4819 -0.7074 -1087.7011 0.0000 0.0000 2701.3974 6222.3117 298.3769 3520.9143 6256.0816 297.6960 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: 1260.73, 0.00395054/step Wall: 1260.73, 0.00395054/step, 2.39359 hours remaining, 111.378906 MB of memory in use. ENERGY: 318800 680.5266 1783.1136 1976.9957 107.1787 -1.4291 -1037.9517 0.0000 0.0000 2689.3654 6197.7993 297.0479 3508.4338 6231.3628 295.3248 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: 1261.52, 0.00395193/step Wall: 1261.52, 0.00395193/step, 2.39421 hours remaining, 111.378906 MB of memory in use. ENERGY: 319000 636.7309 1825.9275 1973.0435 107.8105 -1.4364 -1057.1585 0.0000 0.0000 2736.8671 6221.7847 302.2946 3484.9176 6256.3405 297.4133 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: 1262.31, 0.0039494/step Wall: 1262.31, 0.00394939/step, 2.39245 hours remaining, 111.378906 MB of memory in use. ENERGY: 319200 674.1395 1858.7749 1989.6046 106.3344 -0.9129 -1066.6683 0.0000 0.0000 2693.8801 6255.1524 297.5466 3561.2723 6291.0169 299.4031 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: 1263.09, 0.00394377/step Wall: 1263.09, 0.00394378/step, 2.38884 hours remaining, 111.378906 MB of memory in use. ENERGY: 319400 637.5941 1932.2222 1986.3650 105.1578 -1.2531 -1051.2561 0.0000 0.0000 2681.7676 6290.5976 296.2087 3608.8300 6324.0311 299.2535 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: 1263.88, 0.00394868/step Wall: 1263.88, 0.00394868/step, 2.39158 hours remaining, 111.378906 MB of memory in use. ENERGY: 319600 623.1309 1856.4146 1975.2222 111.6665 0.0838 -1044.6417 0.0000 0.0000 2764.4071 6286.2834 305.3365 3521.8762 6317.4561 301.0300 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: 1264.67, 0.0039497/step Wall: 1264.67, 0.0039497/step, 2.39198 hours remaining, 111.378906 MB of memory in use. ENERGY: 319800 668.5503 1892.2792 1982.4709 108.2180 0.0562 -1060.4598 0.0000 0.0000 2659.1680 6250.2828 293.7125 3591.1148 6282.1893 299.2098 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: 1265.46, 0.00395159/step Wall: 1265.46, 0.00395159/step, 2.39291 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 320000 664.5525 1875.7385 1996.9377 102.0927 0.4139 -1064.7563 0.0000 0.0000 2691.8600 6266.8391 297.3234 3574.9791 6299.2597 298.5632 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 320000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1266.29, 0.00413401/step Wall: 1266.29, 0.00413401/step, 2.50315 hours remaining, 111.378906 MB of memory in use. ENERGY: 320200 626.3276 1862.3906 2009.9835 112.8762 -0.5822 -1057.2092 0.0000 0.0000 2677.4847 6231.2712 295.7356 3553.7865 6261.0548 298.8806 LDB: ============= START OF LOAD BALANCING ============== 1269.25 LDB: ============== END OF LOAD BALANCING =============== 1269.25 LDB: =============== DONE WITH MIGRATION ================ 1269.25 LDB: ============= START OF LOAD BALANCING ============== 1269.64 LDB: ============== END OF LOAD BALANCING =============== 1269.64 LDB: =============== DONE WITH MIGRATION ================ 1269.65 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: 1267.08, 0.00394907/step Wall: 1267.08, 0.00394907/step, 2.39094 hours remaining, 111.378906 MB of memory in use. ENERGY: 320400 620.1073 1860.3570 1961.2756 110.7193 0.0132 -1060.3462 0.0000 0.0000 2758.8212 6250.9474 304.7195 3492.1262 6284.1439 298.8548 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: 1267.87, 0.00394897/step Wall: 1267.87, 0.00394897/step, 2.39066 hours remaining, 111.378906 MB of memory in use. ENERGY: 320600 648.0813 1876.1213 1938.4435 111.2641 -0.0540 -1051.2019 0.0000 0.0000 2719.3713 6242.0255 300.3621 3522.6542 6273.8686 299.1816 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: 1268.66, 0.00395167/step Wall: 1268.66, 0.00395167/step, 2.39208 hours remaining, 111.378906 MB of memory in use. ENERGY: 320800 659.6436 1794.0478 1998.9971 107.2616 -0.9823 -1032.2975 0.0000 0.0000 2724.8008 6251.4711 300.9618 3526.6703 6283.2877 297.6128 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: 1269.45, 0.00394859/step Wall: 1269.45, 0.00394859/step, 2.38999 hours remaining, 111.378906 MB of memory in use. ENERGY: 321000 650.5616 1821.1744 2007.2266 105.6566 0.0175 -1032.2343 0.0000 0.0000 2732.8162 6285.2185 301.8472 3552.4023 6318.3186 297.5860 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: 1270.24, 0.00395014/step Wall: 1270.24, 0.00395014/step, 2.39071 hours remaining, 111.378906 MB of memory in use. ENERGY: 321200 689.4583 1812.6967 1981.6983 108.4829 -0.4743 -1094.2953 0.0000 0.0000 2752.7582 6250.3249 304.0498 3497.5667 6284.9817 299.2003 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: 1271.03, 0.00394573/step Wall: 1271.03, 0.00394573/step, 2.38782 hours remaining, 111.378906 MB of memory in use. ENERGY: 321400 667.5879 1806.2182 2022.3069 104.0434 0.6880 -1041.6738 0.0000 0.0000 2706.5419 6265.7125 298.9451 3559.1706 6298.2473 299.9300 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: 1271.82, 0.00394816/step Wall: 1271.82, 0.00394816/step, 2.38908 hours remaining, 111.378906 MB of memory in use. ENERGY: 321600 651.5370 1820.0811 1997.9193 106.0776 -0.5289 -1069.8270 0.0000 0.0000 2751.5842 6256.8433 303.9201 3505.2591 6291.1082 299.7205 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: 1272.61, 0.00394753/step Wall: 1272.61, 0.00394753/step, 2.38847 hours remaining, 111.378906 MB of memory in use. ENERGY: 321800 673.2296 1823.4288 1995.4565 103.1762 -0.4689 -1067.5187 0.0000 0.0000 2738.7526 6266.0562 302.5029 3527.3036 6298.9206 298.9098 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: 1273.4, 0.00394865/step Wall: 1273.4, 0.00394865/step, 2.38893 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 322000 642.6069 1829.6716 2029.1673 99.4942 -0.7324 -1039.4039 0.0000 0.0000 2737.5516 6298.3553 302.3702 3560.8037 6334.2801 299.6872 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: 1274.19, 0.00395017/step Wall: 1274.19, 0.00395017/step, 2.38963 hours remaining, 111.378906 MB of memory in use. ENERGY: 322200 683.0297 1879.2861 1982.8635 103.2063 -0.7791 -1098.8530 0.0000 0.0000 2708.6181 6257.3716 299.1744 3548.7536 6290.9902 302.2956 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: 1274.98, 0.0039433/step Wall: 1274.98, 0.0039433/step, 2.38526 hours remaining, 111.378906 MB of memory in use. ENERGY: 322400 652.9161 1813.8300 1960.4580 98.5779 -1.0058 -1024.1172 0.0000 0.0000 2715.8618 6216.5207 299.9745 3500.6589 6251.4826 298.9496 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: 1275.77, 0.0039468/step Wall: 1275.77, 0.0039468/step, 2.38715 hours remaining, 111.378906 MB of memory in use. ENERGY: 322600 636.3498 1868.0924 1986.9772 105.7926 -1.5978 -1049.5549 0.0000 0.0000 2690.6280 6236.6872 297.1874 3546.0592 6269.7967 297.0417 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: 1276.56, 0.0039458/step Wall: 1276.56, 0.0039458/step, 2.38634 hours remaining, 111.378906 MB of memory in use. ENERGY: 322800 691.4569 1822.9628 1987.6164 95.7656 -1.2306 -1064.2737 0.0000 0.0000 2748.1552 6280.4526 303.5414 3532.2974 6314.7763 299.0290 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: 1277.35, 0.00394688/step Wall: 1277.35, 0.00394688/step, 2.38677 hours remaining, 111.378906 MB of memory in use. ENERGY: 323000 677.6238 1841.6093 1991.0936 110.4030 0.2492 -1067.0852 0.0000 0.0000 2707.7508 6261.6445 299.0786 3553.8937 6294.4965 301.5095 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: 1278.13, 0.00394325/step Wall: 1278.13, 0.00394325/step, 2.38435 hours remaining, 111.378906 MB of memory in use. ENERGY: 323200 656.2678 1824.0040 2006.2291 116.4132 0.1879 -1035.5518 0.0000 0.0000 2720.3024 6287.8525 300.4650 3567.5501 6324.1430 300.2703 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: 1278.92, 0.00394655/step Wall: 1278.92, 0.00394655/step, 2.38613 hours remaining, 111.378906 MB of memory in use. ENERGY: 323400 643.2771 1821.4917 1988.7051 105.1976 -0.4573 -1079.0477 0.0000 0.0000 2772.9875 6252.1539 306.2842 3479.1664 6287.0346 299.7173 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: 1279.71, 0.00394822/step Wall: 1279.71, 0.00394822/step, 2.38692 hours remaining, 111.378906 MB of memory in use. ENERGY: 323600 649.3013 1813.6318 2014.3585 113.4958 -1.6152 -1072.4626 0.0000 0.0000 2694.2894 6210.9989 297.5918 3516.7096 6244.1026 297.7057 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: 1280.5, 0.00394938/step Wall: 1280.5, 0.00394938/step, 2.3874 hours remaining, 111.378906 MB of memory in use. ENERGY: 323800 642.5800 1875.6293 2001.8834 108.3788 -0.8774 -1095.6484 0.0000 0.0000 2727.5652 6259.5109 301.2672 3531.9457 6292.4705 299.2570 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: 1281.29, 0.00395031/step Wall: 1281.29, 0.00395031/step, 2.38774 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 324000 662.7995 1876.0400 1998.7473 104.1001 -0.9045 -1070.1211 0.0000 0.0000 2705.8819 6276.5431 298.8722 3570.6612 6310.3365 300.8674 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: 1282.08, 0.00394265/step Wall: 1282.08, 0.00394265/step, 2.38289 hours remaining, 111.378906 MB of memory in use. ENERGY: 324200 653.4651 1840.9178 1986.2310 100.1070 -1.7492 -1081.6012 0.0000 0.0000 2777.8583 6275.2288 306.8222 3497.3705 6314.2128 300.4098 LDB: ============= START OF LOAD BALANCING ============== 1285.04 LDB: ============== END OF LOAD BALANCING =============== 1285.04 LDB: =============== DONE WITH MIGRATION ================ 1285.04 LDB: ============= START OF LOAD BALANCING ============== 1285.44 LDB: ============== END OF LOAD BALANCING =============== 1285.44 LDB: =============== DONE WITH MIGRATION ================ 1285.44 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: 1282.87, 0.00395337/step Wall: 1282.87, 0.00395337/step, 2.38915 hours remaining, 111.378906 MB of memory in use. ENERGY: 324400 714.3770 1866.8986 1986.4473 106.1455 -0.3277 -1047.6315 0.0000 0.0000 2763.8432 6389.7524 305.2742 3625.9093 6422.1399 304.5520 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: 1283.66, 0.00394894/step Wall: 1283.66, 0.00394894/step, 2.38626 hours remaining, 111.378906 MB of memory in use. ENERGY: 324600 685.8455 1873.2574 1973.8174 119.4514 0.1890 -1023.8940 0.0000 0.0000 2771.9878 6400.6545 306.1738 3628.6667 6436.5162 305.9256 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: 1284.45, 0.00394931/step Wall: 1284.45, 0.00394931/step, 2.38626 hours remaining, 111.378906 MB of memory in use. ENERGY: 324800 681.0595 1932.3631 1992.3995 98.7328 0.0788 -1055.7146 0.0000 0.0000 2674.9175 6323.8365 295.4521 3648.9190 6356.4682 305.0336 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: 1285.24, 0.00395022/step Wall: 1285.24, 0.00395022/step, 2.38659 hours remaining, 111.378906 MB of memory in use. ENERGY: 325000 670.0983 1820.4898 1995.7760 104.7765 0.1363 -1049.6140 0.0000 0.0000 2761.3357 6302.9984 304.9972 3541.6627 6339.9381 300.6905 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: 1286.03, 0.00394338/step Wall: 1286.03, 0.00394338/step, 2.38224 hours remaining, 111.378906 MB of memory in use. ENERGY: 325200 673.1413 1844.8535 1989.1729 109.7045 0.4086 -1064.5068 0.0000 0.0000 2766.8575 6319.6316 305.6071 3552.7741 6356.2836 303.5345 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: 1286.82, 0.00394989/step Wall: 1286.82, 0.00394989/step, 2.38595 hours remaining, 111.378906 MB of memory in use. ENERGY: 325400 631.1577 1874.9964 2011.8571 110.6681 0.3321 -1070.4328 0.0000 0.0000 2736.3121 6294.8908 302.2333 3558.5787 6325.0516 302.2254 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: 1287.61, 0.00395128/step Wall: 1287.61, 0.00395128/step, 2.38657 hours remaining, 111.378906 MB of memory in use. ENERGY: 325600 648.0793 1863.2823 1989.2642 117.0773 -1.1468 -1054.6424 0.0000 0.0000 2759.3467 6321.2606 304.7775 3561.9139 6357.5081 301.5396 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: 1288.4, 0.00395168/step Wall: 1288.4, 0.00395168/step, 2.3866 hours remaining, 111.378906 MB of memory in use. ENERGY: 325800 634.4178 1871.6236 1999.1798 115.4756 -2.0207 -1040.3097 0.0000 0.0000 2736.9785 6315.3449 302.3069 3578.3664 6348.6975 303.4018 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: 1289.19, 0.00395112/step Wall: 1289.19, 0.00395112/step, 2.38604 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 326000 679.9179 1874.0758 1995.1500 118.7078 -1.1119 -1081.8431 0.0000 0.0000 2700.2745 6285.1710 298.2528 3584.8965 6316.1526 301.2755 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: 1289.98, 0.00394363/step Wall: 1289.98, 0.00394363/step, 2.3813 hours remaining, 111.378906 MB of memory in use. ENERGY: 326200 653.3921 1874.5496 2010.5493 101.2831 -0.5859 -1034.6080 0.0000 0.0000 2671.8137 6276.3940 295.1093 3604.5803 6309.1278 301.4170 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: 1290.77, 0.0039507/step Wall: 1290.77, 0.0039507/step, 2.38535 hours remaining, 111.378906 MB of memory in use. ENERGY: 326400 687.7755 1831.8536 1996.9509 103.1649 -0.4443 -1052.3016 0.0000 0.0000 2700.5923 6267.5913 298.2879 3566.9990 6302.2890 298.5368 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: 1291.56, 0.00395182/step Wall: 1291.56, 0.00395182/step, 2.3858 hours remaining, 111.378906 MB of memory in use. ENERGY: 326600 708.0268 1838.4913 1995.5599 109.9890 -0.7080 -1082.6504 0.0000 0.0000 2687.5274 6256.2360 296.8449 3568.7086 6288.6519 299.7755 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: 1292.35, 0.00395129/step Wall: 1292.35, 0.00395129/step, 2.38526 hours remaining, 111.378906 MB of memory in use. ENERGY: 326800 680.7040 1815.1197 2013.6803 114.7715 0.5886 -1054.6673 0.0000 0.0000 2655.4726 6225.6694 293.3044 3570.1968 6259.2555 298.9278 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: 1293.14, 0.00394497/step Wall: 1293.14, 0.00394497/step, 2.38123 hours remaining, 111.378906 MB of memory in use. ENERGY: 327000 657.3707 1841.4722 2015.1738 128.6630 0.2813 -1063.8905 0.0000 0.0000 2774.3734 6353.4440 306.4373 3579.0706 6388.4808 300.7709 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: 1293.93, 0.00395091/step Wall: 1293.93, 0.00395091/step, 2.3846 hours remaining, 111.378906 MB of memory in use. ENERGY: 327200 679.0886 1862.8136 1981.1006 115.6896 -1.0208 -1050.7280 0.0000 0.0000 2714.2182 6301.1619 299.7930 3586.9437 6333.7288 302.9434 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: 1294.72, 0.00395173/step Wall: 1294.72, 0.00395173/step, 2.38487 hours remaining, 111.378906 MB of memory in use. ENERGY: 327400 638.6244 1861.2978 1984.8367 106.8352 -0.0546 -1043.4237 0.0000 0.0000 2735.9490 6284.0648 302.1932 3548.1158 6315.9126 301.7544 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: 1295.51, 0.00395088/step Wall: 1295.51, 0.00395088/step, 2.38414 hours remaining, 111.378906 MB of memory in use. ENERGY: 327600 697.8438 1818.7607 1997.5022 116.4934 -0.8046 -1058.1200 0.0000 0.0000 2748.6822 6320.3577 303.5996 3571.6755 6353.8580 302.7552 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: 1296.3, 0.00395161/step Wall: 1296.3, 0.00395161/step, 2.38436 hours remaining, 111.378906 MB of memory in use. ENERGY: 327800 628.7800 1900.9744 2021.1164 107.7982 0.2632 -1084.5695 0.0000 0.0000 2763.8558 6338.2187 305.2756 3574.3629 6371.1317 303.5098 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: 1297.09, 0.00394446/step Wall: 1297.09, 0.00394446/step, 2.37982 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 328000 701.7815 1859.5175 1990.8136 102.2667 -0.6557 -1069.8527 0.0000 0.0000 2722.7775 6306.6483 300.7384 3583.8708 6337.1193 304.0390 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: 1297.88, 0.00395094/step Wall: 1297.88, 0.00395094/step, 2.38351 hours remaining, 111.378906 MB of memory in use. ENERGY: 328200 668.3952 1838.7127 2030.2163 104.8074 0.8022 -1065.8248 0.0000 0.0000 2715.2593 6292.3684 299.9080 3577.1091 6325.9224 301.9038 LDB: ============= START OF LOAD BALANCING ============== 1300.84 LDB: ============== END OF LOAD BALANCING =============== 1300.84 LDB: =============== DONE WITH MIGRATION ================ 1300.84 LDB: ============= START OF LOAD BALANCING ============== 1301.24 LDB: ============== END OF LOAD BALANCING =============== 1301.24 LDB: =============== DONE WITH MIGRATION ================ 1301.24 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: 1298.67, 0.0039622/step Wall: 1298.67, 0.0039622/step, 2.39008 hours remaining, 111.378906 MB of memory in use. ENERGY: 328400 664.7231 1809.4758 1981.7449 106.1204 -0.9844 -1035.0963 0.0000 0.0000 2720.9425 6246.9261 300.5357 3525.9836 6280.9393 300.4196 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: 1299.46, 0.00395143/step Wall: 1299.46, 0.00395143/step, 2.38337 hours remaining, 111.378906 MB of memory in use. ENERGY: 328600 612.1101 1860.1891 2001.1163 101.8916 -0.5857 -1076.1045 0.0000 0.0000 2717.4027 6216.0196 300.1447 3498.6169 6247.7100 300.3636 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: 1300.25, 0.0039503/step Wall: 1300.25, 0.0039503/step, 2.38247 hours remaining, 111.378906 MB of memory in use. ENERGY: 328800 664.6794 1847.4769 2015.7176 97.2712 -0.8811 -1043.9443 0.0000 0.0000 2652.6363 6232.9561 292.9911 3580.3198 6267.5101 298.9157 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: 1301.04, 0.00395865/step Wall: 1301.04, 0.00395865/step, 2.38729 hours remaining, 111.378906 MB of memory in use. ENERGY: 329000 686.3517 1813.7031 1985.7256 120.9414 -2.4947 -1042.2615 0.0000 0.0000 2683.0789 6245.0445 296.3535 3561.9656 6277.9555 296.3096 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: 1301.83, 0.00394955/step Wall: 1301.83, 0.00394955/step, 2.38158 hours remaining, 111.378906 MB of memory in use. ENERGY: 329200 630.2194 1893.8190 1965.9434 112.8913 -1.9440 -1051.0670 0.0000 0.0000 2669.5617 6219.4239 294.8605 3549.8621 6253.3104 296.1632 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: 1302.62, 0.00394809/step Wall: 1302.62, 0.00394809/step, 2.38048 hours remaining, 111.378906 MB of memory in use. ENERGY: 329400 621.3959 1845.3700 1982.4124 106.3760 -1.7848 -1059.9868 0.0000 0.0000 2718.2007 6211.9835 300.2328 3493.7828 6245.8373 296.4269 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: 1303.41, 0.00394948/step Wall: 1303.41, 0.00394948/step, 2.38109 hours remaining, 111.378906 MB of memory in use. ENERGY: 329600 671.6831 1823.3716 1988.8411 100.3564 -2.7382 -1068.7177 0.0000 0.0000 2689.2945 6202.0908 297.0401 3512.7963 6236.8023 296.0932 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: 1304.2, 0.00395087/step Wall: 1304.2, 0.00395087/step, 2.38172 hours remaining, 111.378906 MB of memory in use. ENERGY: 329800 594.1361 1844.6672 1984.7433 110.8696 -1.4619 -1030.0205 0.0000 0.0000 2723.3076 6226.2414 300.7969 3502.9337 6261.9010 296.8478 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: 1304.99, 0.00394494/step Wall: 1304.99, 0.00394494/step, 2.37792 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 330000 666.8881 1842.6310 1994.2215 96.7254 -2.0234 -1044.3963 0.0000 0.0000 2678.4463 6232.4926 295.8419 3554.0463 6266.4291 297.2089 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 330000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1305.82, 0.0041355/step Wall: 1305.82, 0.0041355/step, 2.49256 hours remaining, 111.378906 MB of memory in use. ENERGY: 330200 651.2982 1824.1933 1997.5106 103.1246 -3.2589 -1096.8484 0.0000 0.0000 2746.0551 6222.0744 303.3094 3476.0193 6256.5866 296.3104 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: 1306.61, 0.00395082/step Wall: 1306.61, 0.00395082/step, 2.38103 hours remaining, 111.378906 MB of memory in use. ENERGY: 330400 643.0461 1839.2571 2004.4654 111.8333 -2.5110 -1100.9819 0.0000 0.0000 2695.1209 6190.2300 297.6836 3495.1091 6227.8768 296.8153 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: 1307.4, 0.00395146/step Wall: 1307.4, 0.00395146/step, 2.38119 hours remaining, 111.378906 MB of memory in use. ENERGY: 330600 661.4804 1814.1308 1984.3027 111.8461 -3.7315 -1077.2191 0.0000 0.0000 2736.5032 6227.3126 302.2544 3490.8094 6261.1678 297.2080 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: 1308.19, 0.00394374/step Wall: 1308.19, 0.00394374/step, 2.37633 hours remaining, 111.378906 MB of memory in use. ENERGY: 330800 650.3362 1836.7526 1999.3946 114.5540 -1.2640 -1037.3112 0.0000 0.0000 2681.5847 6244.0470 296.1885 3562.4623 6277.1196 299.0051 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: 1308.98, 0.00394907/step Wall: 1308.98, 0.00394907/step, 2.37931 hours remaining, 111.378906 MB of memory in use. ENERGY: 331000 628.0744 1890.8190 1987.9692 111.4678 -2.2321 -1032.9111 0.0000 0.0000 2724.6309 6307.8182 300.9431 3583.1873 6340.9538 300.0958 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: 1309.77, 0.00395006/step Wall: 1309.77, 0.00395006/step, 2.37969 hours remaining, 111.378906 MB of memory in use. ENERGY: 331200 651.8055 1870.5004 1983.3143 103.2666 -2.1916 -1048.1596 0.0000 0.0000 2759.1092 6317.6448 304.7513 3558.5356 6348.4067 302.8934 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: 1310.56, 0.0039481/step Wall: 1310.56, 0.0039481/step, 2.37829 hours remaining, 111.378906 MB of memory in use. ENERGY: 331400 624.4589 1882.6567 1991.2138 101.8139 -1.7426 -1076.6380 0.0000 0.0000 2715.4227 6237.1853 299.9260 3521.7626 6273.2079 300.4513 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: 1311.35, 0.00394821/step Wall: 1311.35, 0.00394821/step, 2.37814 hours remaining, 111.378906 MB of memory in use. ENERGY: 331600 608.2529 1860.6170 2018.7220 105.6291 -2.3229 -1051.0549 0.0000 0.0000 2662.0742 6201.9174 294.0335 3539.8432 6236.7011 297.9250 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: 1312.14, 0.00394169/step Wall: 1312.14, 0.00394169/step, 2.37399 hours remaining, 111.378906 MB of memory in use. ENERGY: 331800 660.2712 1777.4318 2013.2248 99.9186 -1.9781 -1025.9064 0.0000 0.0000 2684.6967 6207.6586 296.5322 3522.9618 6240.1541 297.1652 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: 1312.93, 0.00394825/step Wall: 1312.93, 0.00394825/step, 2.37772 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 332000 662.0221 1838.0716 1992.4140 96.8068 -2.3609 -1029.9270 0.0000 0.0000 2666.4697 6223.4963 294.5190 3557.0266 6256.5294 297.4418 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: 1313.72, 0.00394837/step Wall: 1313.72, 0.00394837/step, 2.37758 hours remaining, 111.378906 MB of memory in use. ENERGY: 332200 660.0096 1869.0062 1991.4082 105.4786 -2.6508 -1069.2524 0.0000 0.0000 2741.2946 6295.2940 302.7836 3553.9994 6327.9302 299.7565 LDB: ============= START OF LOAD BALANCING ============== 1316.67 LDB: ============== END OF LOAD BALANCING =============== 1316.67 LDB: =============== DONE WITH MIGRATION ================ 1316.67 LDB: ============= START OF LOAD BALANCING ============== 1317.07 LDB: ============== END OF LOAD BALANCING =============== 1317.07 LDB: =============== DONE WITH MIGRATION ================ 1317.07 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: 1314.51, 0.00395319/step Wall: 1314.51, 0.00395319/step, 2.38026 hours remaining, 111.378906 MB of memory in use. ENERGY: 332400 669.9002 1853.9564 2018.5277 121.2365 -1.4845 -1071.4839 0.0000 0.0000 2715.2546 6305.9069 299.9074 3590.6523 6338.1337 301.8693 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: 1315.3, 0.00394788/step Wall: 1315.3, 0.00394788/step, 2.37684 hours remaining, 111.378906 MB of memory in use. ENERGY: 332600 663.6270 1905.6707 2027.3666 110.0069 -2.9637 -1034.1662 0.0000 0.0000 2680.8347 6350.3760 296.1057 3669.5412 6381.5495 303.1416 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: 1316.08, 0.00394335/step Wall: 1316.08, 0.00394335/step, 2.37389 hours remaining, 111.378906 MB of memory in use. ENERGY: 332800 670.4110 1859.4681 1998.7611 111.0391 -1.6833 -1030.7137 0.0000 0.0000 2730.0276 6337.3099 301.5392 3607.2823 6370.5375 301.4491 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: 1316.87, 0.00394808/step Wall: 1316.87, 0.00394808/step, 2.37653 hours remaining, 111.378906 MB of memory in use. ENERGY: 333000 656.4374 1851.1601 2021.7465 125.4929 -3.0809 -1054.6063 0.0000 0.0000 2683.8227 6280.9724 296.4357 3597.1497 6314.0641 300.0755 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: 1317.66, 0.0039487/step Wall: 1317.66, 0.0039487/step, 2.37668 hours remaining, 111.378906 MB of memory in use. ENERGY: 333200 675.5895 1875.7396 2011.4443 102.4880 -3.3800 -1072.9078 0.0000 0.0000 2746.8491 6335.8226 303.3971 3588.9736 6370.1322 301.7468 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: 1318.45, 0.00394699/step Wall: 1318.45, 0.00394699/step, 2.37543 hours remaining, 111.378906 MB of memory in use. ENERGY: 333400 663.6093 1892.4101 2010.2855 110.0836 -2.0478 -1081.3664 0.0000 0.0000 2752.7325 6345.7069 304.0470 3592.9744 6381.1296 304.0398 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: 1319.24, 0.00394987/step Wall: 1319.24, 0.00394987/step, 2.37695 hours remaining, 111.378906 MB of memory in use. ENERGY: 333600 670.4315 1868.5844 2009.8564 125.6318 -3.4596 -1105.4030 0.0000 0.0000 2774.7652 6340.4068 306.4805 3565.6416 6374.0170 303.1937 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: 1320.03, 0.00394392/step Wall: 1320.03, 0.00394392/step, 2.37315 hours remaining, 111.378906 MB of memory in use. ENERGY: 333800 659.9954 1859.4069 2011.5902 115.7792 -2.4742 -1054.5915 0.0000 0.0000 2810.4186 6400.1246 310.4186 3589.7060 6436.1772 306.1255 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: 1320.82, 0.00394911/step Wall: 1320.82, 0.0039491/step, 2.37604 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 334000 697.5057 1886.1077 1987.6985 114.2040 -3.8829 -1080.7379 0.0000 0.0000 2772.5914 6373.4865 306.2404 3600.8951 6404.5761 305.1183 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: 1321.61, 0.0039481/step Wall: 1321.61, 0.00394811/step, 2.37523 hours remaining, 111.378906 MB of memory in use. ENERGY: 334200 645.4423 1847.2700 2021.3108 117.9573 -3.8761 -1039.4491 0.0000 0.0000 2722.4213 6311.0766 300.6990 3588.6553 6347.3293 303.4365 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: 1322.4, 0.00394744/step Wall: 1322.4, 0.00394744/step, 2.3746 hours remaining, 111.378906 MB of memory in use. ENERGY: 334400 657.7084 1851.3590 1995.9551 103.4743 -3.3498 -1040.5597 0.0000 0.0000 2742.1662 6306.7534 302.8799 3564.5872 6338.1200 302.5681 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: 1323.19, 0.00394179/step Wall: 1323.19, 0.00394179/step, 2.37098 hours remaining, 111.378906 MB of memory in use. ENERGY: 334600 649.3212 1895.6567 2030.5276 103.7675 -2.0206 -1070.5780 0.0000 0.0000 2734.9968 6341.6711 302.0880 3606.6743 6374.1031 302.2421 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: 1323.98, 0.00394513/step Wall: 1323.98, 0.00394513/step, 2.37278 hours remaining, 111.378906 MB of memory in use. ENERGY: 334800 669.0886 1874.2005 2000.8626 113.2857 -2.6578 -1041.9198 0.0000 0.0000 2752.6983 6365.5581 304.0432 3612.8598 6399.7112 303.0639 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: 1324.77, 0.00394861/step Wall: 1324.77, 0.00394861/step, 2.37465 hours remaining, 111.378906 MB of memory in use. ENERGY: 335000 656.3486 1866.5181 2001.2797 112.6680 -3.9750 -1056.9639 0.0000 0.0000 2724.3772 6300.2525 300.9151 3575.8753 6336.7343 303.0512 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: 1325.56, 0.00394822/step Wall: 1325.56, 0.00394822/step, 2.3742 hours remaining, 111.378906 MB of memory in use. ENERGY: 335200 646.5134 1897.1470 2017.8749 94.1291 -3.3228 -1069.2046 0.0000 0.0000 2652.3118 6235.4488 292.9552 3583.1369 6267.0606 299.4102 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: 1326.35, 0.00394833/step Wall: 1326.35, 0.00394833/step, 2.37405 hours remaining, 111.378906 MB of memory in use. ENERGY: 335400 611.4499 1820.7395 2004.4081 111.6128 -4.0532 -1005.0191 0.0000 0.0000 2663.4242 6202.5621 294.1826 3539.1379 6234.1579 296.6113 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: 1327.14, 0.00394358/step Wall: 1327.14, 0.00394358/step, 2.37097 hours remaining, 111.378906 MB of memory in use. ENERGY: 335600 681.9172 1807.2252 2033.1716 101.4529 -3.9765 -1100.5595 0.0000 0.0000 2675.1287 6194.3597 295.4754 3519.2310 6226.3832 294.8907 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: 1327.93, 0.00394917/step Wall: 1327.93, 0.00394917/step, 2.37411 hours remaining, 111.378906 MB of memory in use. ENERGY: 335800 634.7731 1837.5860 2006.3842 107.7716 -1.9204 -1050.1785 0.0000 0.0000 2666.9181 6201.3341 294.5685 3534.4160 6233.3547 295.4191 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: 1328.72, 0.00395062/step Wall: 1328.72, 0.00395062/step, 2.37476 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 336000 654.3207 1817.9077 1982.4169 108.5924 -3.3876 -1077.8365 0.0000 0.0000 2702.0841 6184.0977 298.4527 3482.0136 6219.3970 296.1144 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: 1329.51, 0.00395118/step Wall: 1329.51, 0.00395118/step, 2.37488 hours remaining, 111.378906 MB of memory in use. ENERGY: 336200 661.0795 1811.4227 1984.9358 104.5777 -2.3433 -1057.4205 0.0000 0.0000 2685.6376 6187.8896 296.6362 3502.2520 6220.4810 294.9214 LDB: ============= START OF LOAD BALANCING ============== 1332.47 LDB: ============== END OF LOAD BALANCING =============== 1332.47 LDB: =============== DONE WITH MIGRATION ================ 1332.47 LDB: ============= START OF LOAD BALANCING ============== 1332.86 LDB: ============== END OF LOAD BALANCING =============== 1332.86 LDB: =============== DONE WITH MIGRATION ================ 1332.86 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: 1330.3, 0.00395558/step Wall: 1330.3, 0.00395558/step, 2.37731 hours remaining, 111.378906 MB of memory in use. ENERGY: 336400 653.5766 1862.7345 1998.0088 101.7327 -1.5801 -1064.1391 0.0000 0.0000 2663.7455 6214.0788 294.2181 3550.3333 6245.9360 297.4185 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: 1331.09, 0.00394551/step Wall: 1331.09, 0.00394551/step, 2.37103 hours remaining, 111.378906 MB of memory in use. ENERGY: 336600 660.5457 1843.7559 2018.2382 83.2266 -2.9727 -1096.0082 0.0000 0.0000 2673.3282 6180.1137 295.2765 3506.7856 6214.5066 294.0708 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: 1331.88, 0.00394938/step Wall: 1331.88, 0.00394938/step, 2.37314 hours remaining, 111.378906 MB of memory in use. ENERGY: 336800 651.3324 1783.0734 2014.9103 108.5573 -2.1588 -1055.1670 0.0000 0.0000 2692.3586 6192.9061 297.3785 3500.5475 6229.6392 294.6959 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: 1332.67, 0.00395007/step Wall: 1332.67, 0.00395007/step, 2.37333 hours remaining, 111.378906 MB of memory in use. ENERGY: 337000 684.1250 1804.7422 2034.4153 116.0752 -2.1495 -1084.7412 0.0000 0.0000 2705.3832 6257.8503 298.8171 3552.4671 6292.2572 295.9362 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: 1333.46, 0.00395241/step Wall: 1333.46, 0.00395241/step, 2.37452 hours remaining, 111.378906 MB of memory in use. ENERGY: 337200 659.0723 1810.8504 2009.0475 115.5346 -0.5357 -1065.9747 0.0000 0.0000 2743.0615 6271.0560 302.9788 3527.9945 6304.1795 298.2861 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: 1334.25, 0.00394868/step Wall: 1334.25, 0.00394869/step, 2.37207 hours remaining, 111.378906 MB of memory in use. ENERGY: 337400 666.3663 1847.9518 2006.3986 112.7263 -1.7093 -1054.6177 0.0000 0.0000 2689.0049 6266.1210 297.0081 3577.1160 6297.4524 299.4494 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: 1335.04, 0.0039452/step Wall: 1335.04, 0.0039452/step, 2.36975 hours remaining, 111.378906 MB of memory in use. ENERGY: 337600 663.6869 1866.8261 2017.2105 109.1305 -2.2581 -1066.0091 0.0000 0.0000 2670.0276 6258.6143 294.9120 3588.5868 6290.1602 297.6293 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: 1335.83, 0.00394998/step Wall: 1335.83, 0.00394998/step, 2.3724 hours remaining, 111.378906 MB of memory in use. ENERGY: 337800 656.2908 1885.3016 2023.7260 120.4273 -2.9532 -1094.4944 0.0000 0.0000 2721.1636 6309.4616 300.5601 3588.2980 6342.2051 301.6789 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: 1336.62, 0.00394922/step Wall: 1336.62, 0.00394922/step, 2.37173 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 338000 661.2764 1857.4210 2015.8903 102.7124 -2.6660 -1068.1287 0.0000 0.0000 2724.8618 6291.3673 300.9686 3566.5055 6324.7503 299.7560 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: 1337.41, 0.00395056/step Wall: 1337.41, 0.00395056/step, 2.37231 hours remaining, 111.378906 MB of memory in use. ENERGY: 338200 651.8696 1845.1711 2028.0822 106.1410 -2.8032 -1077.5165 0.0000 0.0000 2719.5227 6270.4669 300.3789 3550.9442 6304.7211 298.7816 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: 1338.19, 0.00394441/step Wall: 1338.19, 0.00394441/step, 2.3684 hours remaining, 111.378906 MB of memory in use. ENERGY: 338400 685.1596 1856.9942 1987.8780 103.0568 -2.8780 -1088.4897 0.0000 0.0000 2736.0532 6277.7741 302.2047 3541.7209 6309.0131 299.6981 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: 1338.99, 0.00395377/step Wall: 1338.99, 0.00395377/step, 2.3738 hours remaining, 111.378906 MB of memory in use. ENERGY: 338600 653.5836 1823.9713 2029.0126 115.1934 -2.2350 -1057.1680 0.0000 0.0000 2752.9537 6315.3116 304.0714 3562.3579 6349.9080 300.1395 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: 1339.78, 0.00395062/step Wall: 1339.78, 0.00395062/step, 2.37169 hours remaining, 111.378906 MB of memory in use. ENERGY: 338800 671.2835 1851.1139 2008.9524 107.9365 -1.9526 -1067.2300 0.0000 0.0000 2737.2906 6307.3942 302.3414 3570.1036 6341.5180 301.8206 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: 1340.57, 0.003952/step Wall: 1340.57, 0.003952/step, 2.3723 hours remaining, 111.378906 MB of memory in use. ENERGY: 339000 638.7042 1890.0782 2019.7812 101.2398 -1.0130 -1066.8303 0.0000 0.0000 2731.2944 6313.2545 301.6791 3581.9601 6344.7508 301.2550 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: 1341.36, 0.00395064/step Wall: 1341.36, 0.00395064/step, 2.37126 hours remaining, 111.378906 MB of memory in use. ENERGY: 339200 695.2593 1867.0129 2000.8647 102.7038 -3.0627 -1044.2222 0.0000 0.0000 2726.5881 6345.1438 301.1592 3618.5558 6380.4308 301.7441 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: 1342.15, 0.00394497/step Wall: 1342.15, 0.00394497/step, 2.36764 hours remaining, 111.378906 MB of memory in use. ENERGY: 339400 649.5940 1931.0285 1982.4669 113.7993 -1.7299 -1053.0109 0.0000 0.0000 2761.8790 6384.0269 305.0572 3622.1479 6415.8361 307.1992 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: 1342.94, 0.00394976/step Wall: 1342.94, 0.00394976/step, 2.37029 hours remaining, 111.378906 MB of memory in use. ENERGY: 339600 716.2149 1887.8489 2025.1605 106.9514 -1.7965 -1084.5787 0.0000 0.0000 2737.5810 6387.3815 302.3735 3649.8004 6420.6455 306.5104 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: 1343.73, 0.0039509/step Wall: 1343.73, 0.0039509/step, 2.37076 hours remaining, 111.378906 MB of memory in use. ENERGY: 339800 655.8066 1893.6947 2011.6193 103.8538 -2.9803 -1050.0955 0.0000 0.0000 2799.2497 6411.1483 309.1849 3611.8986 6443.6575 307.2783 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: 1344.52, 0.00395174/step Wall: 1344.52, 0.00395174/step, 2.37104 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 340000 660.9910 1879.8327 1994.3501 133.4629 -0.7657 -1052.1715 0.0000 0.0000 2772.9251 6388.6245 306.2773 3615.6994 6421.7723 306.3903 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 340000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1345.34, 0.00412977/step Wall: 1345.34, 0.00412977/step, 2.47763 hours remaining, 111.378906 MB of memory in use. ENERGY: 340200 670.4248 1859.5871 2016.0420 110.4639 -2.3535 -1046.9207 0.0000 0.0000 2781.6403 6388.8840 307.2399 3607.2437 6422.5419 305.1476 LDB: ============= START OF LOAD BALANCING ============== 1348.3 LDB: ============== END OF LOAD BALANCING =============== 1348.3 LDB: =============== DONE WITH MIGRATION ================ 1348.3 LDB: ============= START OF LOAD BALANCING ============== 1348.7 LDB: ============== END OF LOAD BALANCING =============== 1348.7 LDB: =============== DONE WITH MIGRATION ================ 1348.7 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: 1346.13, 0.00394914/step Wall: 1346.13, 0.00394913/step, 2.36904 hours remaining, 111.378906 MB of memory in use. ENERGY: 340400 654.5300 1870.7972 2019.2569 113.9229 -3.3976 -1058.5235 0.0000 0.0000 2730.1415 6326.7274 301.5517 3596.5859 6361.1884 305.5330 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: 1346.92, 0.00394828/step Wall: 1346.92, 0.00394829/step, 2.36832 hours remaining, 111.378906 MB of memory in use. ENERGY: 340600 691.4588 1825.5346 1963.1753 98.3760 -3.2638 -1032.1942 0.0000 0.0000 2760.5524 6303.6391 304.9107 3543.0867 6334.7997 301.9937 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: 1347.71, 0.00394933/step Wall: 1347.71, 0.00394933/step, 2.36872 hours remaining, 111.378906 MB of memory in use. ENERGY: 340800 653.7880 1880.2982 2002.0867 113.3860 -3.4169 -1025.5651 0.0000 0.0000 2685.4707 6306.0476 296.6177 3620.5769 6336.3468 301.1870 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: 1348.5, 0.00394801/step Wall: 1348.5, 0.00394801/step, 2.36771 hours remaining, 111.378906 MB of memory in use. ENERGY: 341000 663.8532 1879.5834 1981.7421 104.2892 -3.5688 -1043.9912 0.0000 0.0000 2734.5306 6316.4384 302.0365 3581.9079 6348.8344 301.4814 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: 1349.29, 0.00394991/step Wall: 1349.29, 0.00394991/step, 2.36863 hours remaining, 111.378906 MB of memory in use. ENERGY: 341200 622.8846 1865.8300 2012.2683 106.9588 -2.7081 -1033.0979 0.0000 0.0000 2690.3576 6262.4935 297.1575 3572.1358 6294.8411 301.4565 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: 1350.08, 0.00394331/step Wall: 1350.08, 0.00394331/step, 2.36445 hours remaining, 111.378906 MB of memory in use. ENERGY: 341400 658.1856 1856.3197 1991.2562 110.5575 -2.9658 -1074.2575 0.0000 0.0000 2696.5040 6235.5997 297.8364 3539.0957 6267.4998 300.3228 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: 1350.87, 0.00394929/step Wall: 1350.87, 0.00394929/step, 2.36782 hours remaining, 111.378906 MB of memory in use. ENERGY: 341600 639.5570 1840.4653 1997.5458 112.4408 -2.0468 -1070.2548 0.0000 0.0000 2733.9693 6251.6766 301.9745 3517.7073 6287.6369 297.4281 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: 1351.66, 0.00394961/step Wall: 1351.66, 0.00394961/step, 2.36779 hours remaining, 111.378906 MB of memory in use. ENERGY: 341800 636.5209 1841.5388 2012.8256 108.7062 -1.6314 -1039.4668 0.0000 0.0000 2717.7394 6276.2326 300.1819 3558.4933 6309.7328 299.2261 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: 1352.45, 0.0039486/step Wall: 1352.45, 0.0039486/step, 2.36697 hours remaining, 111.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 342000 652.6880 1851.7777 2019.1003 109.5812 0.6430 -1067.7455 0.0000 0.0000 2667.5150 6233.5597 294.6345 3566.0447 6267.8792 297.8840 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: 1353.24, 0.00394385/step Wall: 1353.24, 0.00394385/step, 2.3639 hours remaining, 111.378906 MB of memory in use. ENERGY: 342200 669.9868 1777.5412 2019.9015 108.4130 0.2256 -1014.7702 0.0000 0.0000 2735.2421 6296.5401 302.1151 3561.2979 6331.4886 297.0877 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: 1354.03, 0.0039494/step Wall: 1354.03, 0.0039494/step, 2.36701 hours remaining, 111.378906 MB of memory in use. ENERGY: 342400 696.5619 1817.4557 2009.5605 115.0227 -1.0576 -1066.4078 0.0000 0.0000 2724.6052 6295.7405 300.9402 3571.1354 6327.0271 300.1359 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: 1354.82, 0.00394989/step Wall: 1354.82, 0.00394989/step, 2.36708 hours remaining, 111.378906 MB of memory in use. ENERGY: 342600 644.4299 1851.6297 1974.8138 117.4720 -1.5126 -1033.9216 0.0000 0.0000 2708.4279 6261.3391 299.1534 3552.9112 6294.6610 300.2119 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: 1355.61, 0.00395045/step Wall: 1355.61, 0.00395045/step, 2.3672 hours remaining, 111.378906 MB of memory in use. ENERGY: 342800 642.6219 1799.5897 2005.9727 114.1177 -2.3166 -1060.7180 0.0000 0.0000 2718.6004 6217.8678 300.2770 3499.2674 6250.1878 298.2332 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: 1356.4, 0.00394961/step Wall: 1356.4, 0.00394961/step, 2.36647 hours remaining, 111.378906 MB of memory in use. ENERGY: 343000 619.0542 1880.2434 2004.9348 111.6860 -3.0061 -1048.5249 0.0000 0.0000 2717.5873 6281.9746 300.1651 3564.3874 6317.7772 300.9453 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: 1357.19, 0.00394507/step Wall: 1357.19, 0.00394507/step, 2.36354 hours remaining, 111.378906 MB of memory in use. ENERGY: 343200 658.0399 1817.4697 2007.1811 109.5029 -2.6023 -1065.6358 0.0000 0.0000 2737.4323 6261.3880 302.3570 3523.9557 6294.0828 299.9629 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: 1357.98, 0.00397647/step Wall: 1357.98, 0.00397647/step, 2.38213 hours remaining, 111.675781 MB of memory in use. ENERGY: 343400 659.9030 1793.3288 1994.4779 116.4402 -2.1989 -1006.8110 0.0000 0.0000 2713.1548 6268.2948 299.6755 3555.1400 6301.9391 299.9197 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: 1358.77, 0.00394986/step Wall: 1358.77, 0.00394986/step, 2.36597 hours remaining, 111.675781 MB of memory in use. ENERGY: 343600 646.9865 1846.2343 2020.9333 120.9072 -2.0620 -1051.5696 0.0000 0.0000 2695.9324 6277.3621 297.7732 3581.4297 6309.5739 300.7921 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: 1359.56, 0.00394984/step Wall: 1359.56, 0.00394984/step, 2.36573 hours remaining, 111.675781 MB of memory in use. ENERGY: 343800 654.2856 1817.8243 2028.2633 104.2843 -2.2614 -1101.3340 0.0000 0.0000 2776.5991 6277.6612 306.6831 3501.0621 6313.3057 300.5769 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: 1360.35, 0.0039484/step Wall: 1360.35, 0.0039484/step, 2.36466 hours remaining, 111.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 344000 649.5583 1875.5297 1998.1602 100.2522 -1.2375 -1079.0506 0.0000 0.0000 2728.8837 6272.0961 301.4128 3543.2123 6306.7676 301.0344 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: 1361.14, 0.00396127/step Wall: 1361.14, 0.00396127/step, 2.37214 hours remaining, 111.675781 MB of memory in use. ENERGY: 344200 703.5260 1875.6052 1991.3721 112.5714 -1.9863 -1045.8249 0.0000 0.0000 2670.2350 6305.4987 294.9349 3635.2636 6336.8097 302.3478 LDB: ============= START OF LOAD BALANCING ============== 1364.1 LDB: ============== END OF LOAD BALANCING =============== 1364.1 LDB: =============== DONE WITH MIGRATION ================ 1364.1 LDB: ============= START OF LOAD BALANCING ============== 1364.5 LDB: ============== END OF LOAD BALANCING =============== 1364.5 LDB: =============== DONE WITH MIGRATION ================ 1364.5 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: 1361.93, 0.0039544/step Wall: 1361.93, 0.00395441/step, 2.36781 hours remaining, 111.675781 MB of memory in use. ENERGY: 344400 671.7388 1888.0488 1970.6708 114.7754 -0.5148 -1068.8242 0.0000 0.0000 2752.6384 6328.5331 304.0366 3575.8948 6359.0569 302.2208 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: 1362.72, 0.00394652/step Wall: 1362.72, 0.00394652/step, 2.36287 hours remaining, 111.675781 MB of memory in use. ENERGY: 344600 679.0341 1912.2901 2010.8708 105.2920 -1.7663 -1085.9865 0.0000 0.0000 2737.6952 6357.4295 302.3861 3619.7343 6389.0485 305.8296 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: 1363.52, 0.00396087/step Wall: 1363.52, 0.00396087/step, 2.37124 hours remaining, 111.675781 MB of memory in use. ENERGY: 344800 654.2203 1863.0507 2033.5956 108.2636 -1.3419 -1060.8260 0.0000 0.0000 2706.6984 6303.6607 298.9624 3596.9622 6336.2066 304.6973 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: 1364.33, 0.00407912/step Wall: 1364.33, 0.00407912/step, 2.4418 hours remaining, 111.675781 MB of memory in use. ENERGY: 345000 667.0040 1893.6524 1999.4702 109.4472 -3.0442 -1071.5286 0.0000 0.0000 2765.9708 6360.9717 305.5092 3595.0010 6392.3122 303.2409 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: 1365.12, 0.00394742/step Wall: 1365.12, 0.00394742/step, 2.36275 hours remaining, 111.675781 MB of memory in use. ENERGY: 345200 653.6722 1848.3507 2005.9332 121.3452 -0.6087 -1062.6546 0.0000 0.0000 2735.3699 6301.4079 302.1292 3566.0379 6336.5108 303.8311 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: 1365.91, 0.00394395/step Wall: 1365.91, 0.00394395/step, 2.36046 hours remaining, 111.675781 MB of memory in use. ENERGY: 345400 643.5411 1857.6465 2002.3689 121.3680 -1.1068 -1074.3431 0.0000 0.0000 2751.5312 6301.0058 303.9143 3549.4746 6338.8132 303.4348 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: 1366.7, 0.00394538/step Wall: 1366.7, 0.00394538/step, 2.36109 hours remaining, 111.675781 MB of memory in use. ENERGY: 345600 644.8649 1858.8814 1977.2391 105.6093 -1.4464 -1042.1439 0.0000 0.0000 2645.2378 6188.2421 292.1739 3543.0043 6222.3967 299.7775 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: 1367.49, 0.0039452/step Wall: 1367.49, 0.0039452/step, 2.36077 hours remaining, 111.675781 MB of memory in use. ENERGY: 345800 655.2178 1843.3350 1963.3610 127.6106 -1.3164 -1079.9408 0.0000 0.0000 2670.4221 6178.6893 294.9556 3508.2672 6211.6758 295.3873 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: 1368.28, 0.00394425/step Wall: 1368.28, 0.00394425/step, 2.35998 hours remaining, 111.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 346000 630.1700 1778.1041 1998.0943 104.5467 -1.4051 -1014.8429 0.0000 0.0000 2677.1470 6171.8142 295.6983 3494.6672 6205.2634 294.6331 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: 1369.07, 0.00394791/step Wall: 1369.07, 0.00394791/step, 2.36195 hours remaining, 111.675781 MB of memory in use. ENERGY: 346200 649.5007 1809.4637 2014.4295 98.1638 -1.1706 -1061.6149 0.0000 0.0000 2657.8425 6166.6148 293.5661 3508.7723 6200.0720 293.6285 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: 1369.86, 0.00394505/step Wall: 1369.86, 0.00394505/step, 2.36001 hours remaining, 111.675781 MB of memory in use. ENERGY: 346400 615.2065 1790.1381 2015.0669 103.1603 -0.2146 -1028.1447 0.0000 0.0000 2692.9124 6188.1250 297.4397 3495.2127 6219.7506 295.3171 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: 1370.64, 0.00394539/step Wall: 1370.64, 0.00394539/step, 2.36 hours remaining, 111.675781 MB of memory in use. ENERGY: 346600 614.7769 1836.1408 2017.4406 109.1618 -1.7282 -1042.9622 0.0000 0.0000 2717.5470 6250.3766 300.1606 3532.8296 6279.9799 297.0683 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: 1371.43, 0.00394285/step Wall: 1371.43, 0.00394285/step, 2.35827 hours remaining, 111.675781 MB of memory in use. ENERGY: 346800 656.3047 1850.2541 1991.3201 93.9057 0.0074 -1036.4460 0.0000 0.0000 2673.8888 6229.2348 295.3385 3555.3460 6261.7965 298.6557 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: 1372.22, 0.00394233/step Wall: 1372.22, 0.00394232/step, 2.35773 hours remaining, 111.675781 MB of memory in use. ENERGY: 347000 642.2239 1864.4163 1979.7764 102.0234 0.2335 -1066.9077 0.0000 0.0000 2691.0317 6212.7976 297.2319 3521.7659 6243.4003 297.2995 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: 1373.01, 0.00394662/step Wall: 1373.01, 0.00394663/step, 2.36008 hours remaining, 111.675781 MB of memory in use. ENERGY: 347200 640.3663 1805.3780 1989.4924 104.2000 -1.3525 -1049.1629 0.0000 0.0000 2714.7485 6203.6697 299.8515 3488.9213 6236.1228 297.9117 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: 1373.8, 0.00394572/step Wall: 1373.8, 0.00394572/step, 2.35932 hours remaining, 111.675781 MB of memory in use. ENERGY: 347400 634.6057 1874.1837 1996.1214 100.4089 0.0911 -1036.8182 0.0000 0.0000 2689.9631 6258.5556 297.1139 3568.5925 6291.4227 296.8299 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: 1374.59, 0.00394594/step Wall: 1374.59, 0.00394594/step, 2.35923 hours remaining, 111.675781 MB of memory in use. ENERGY: 347600 670.4223 1851.7876 1978.2216 112.7782 -0.2700 -1070.5089 0.0000 0.0000 2723.5213 6265.9521 300.8205 3542.4309 6298.4115 299.9547 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: 1375.38, 0.00394484/step Wall: 1375.38, 0.00394484/step, 2.35836 hours remaining, 111.675781 MB of memory in use. ENERGY: 347800 673.3173 1859.0147 2015.2149 111.2124 -0.3710 -1069.9641 0.0000 0.0000 2687.5249 6275.9492 296.8446 3588.4243 6305.8105 301.5425 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: 1376.17, 0.00394445/step Wall: 1376.17, 0.00394445/step, 2.3579 hours remaining, 111.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 348000 649.2938 1866.6668 1975.6523 97.2966 -2.3496 -1061.0655 0.0000 0.0000 2769.8477 6295.3420 305.9374 3525.4943 6329.4589 302.0374 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: 1376.96, 0.00394575/step Wall: 1376.96, 0.00394575/step, 2.35847 hours remaining, 111.675781 MB of memory in use. ENERGY: 348200 697.7335 1854.6669 1983.3371 99.0869 -0.5680 -1085.2344 0.0000 0.0000 2743.4740 6292.4961 303.0243 3549.0221 6323.8050 302.2167 LDB: ============= START OF LOAD BALANCING ============== 1379.92 LDB: ============== END OF LOAD BALANCING =============== 1379.92 LDB: =============== DONE WITH MIGRATION ================ 1379.92 LDB: ============= START OF LOAD BALANCING ============== 1380.31 LDB: ============== END OF LOAD BALANCING =============== 1380.31 LDB: =============== DONE WITH MIGRATION ================ 1380.31 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: 1377.75, 0.00395028/step Wall: 1377.75, 0.00395028/step, 2.36095 hours remaining, 111.675781 MB of memory in use. ENERGY: 348400 633.9356 1845.5859 1991.6484 101.1862 -1.7438 -1050.3583 0.0000 0.0000 2800.0717 6320.3258 309.2757 3520.2541 6355.3965 303.1846 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: 1378.54, 0.00395736/step Wall: 1378.54, 0.00395736/step, 2.36496 hours remaining, 111.675781 MB of memory in use. ENERGY: 348600 669.0399 1868.6558 1993.4774 104.8463 -0.9671 -1034.5337 0.0000 0.0000 2736.9394 6337.4580 302.3026 3600.5186 6370.4277 306.2314 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: 1379.33, 0.00394502/step Wall: 1379.33, 0.00394502/step, 2.35737 hours remaining, 111.675781 MB of memory in use. ENERGY: 348800 689.8217 1846.9257 1996.9123 114.0977 -0.4144 -1035.1314 0.0000 0.0000 2724.6795 6336.8910 300.9484 3612.2115 6369.7146 304.0290 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: 1380.12, 0.00394423/step Wall: 1380.12, 0.00394423/step, 2.35668 hours remaining, 111.675781 MB of memory in use. ENERGY: 349000 680.2076 1800.1286 2013.0235 120.3674 -1.2084 -1045.4860 0.0000 0.0000 2806.3410 6373.3738 309.9682 3567.0328 6410.8771 304.7472 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: 1380.9, 0.00394629/step Wall: 1380.9, 0.00394628/step, 2.35769 hours remaining, 111.675781 MB of memory in use. ENERGY: 349200 694.5764 1832.5337 1998.4407 113.4307 -1.2270 -1046.3808 0.0000 0.0000 2746.6172 6337.9909 303.3715 3591.3736 6369.2834 304.1845 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: 1381.69, 0.00394493/step Wall: 1381.69, 0.00394494/step, 2.35666 hours remaining, 111.675781 MB of memory in use. ENERGY: 349400 654.0681 1883.8658 2017.1914 112.2783 -0.2162 -1036.4218 0.0000 0.0000 2731.3421 6362.1076 301.6843 3630.7655 6393.8324 305.1035 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: 1382.48, 0.00394711/step Wall: 1382.48, 0.00394711/step, 2.35774 hours remaining, 111.675781 MB of memory in use. ENERGY: 349600 665.1665 1873.5864 2004.1285 118.9776 -0.3982 -1061.0461 0.0000 0.0000 2743.2338 6343.6484 302.9978 3600.4146 6377.1734 303.5884 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: 1383.27, 0.00394656/step Wall: 1383.27, 0.00394656/step, 2.3572 hours remaining, 111.675781 MB of memory in use. ENERGY: 349800 688.1553 1782.6488 2004.4255 116.3934 -0.3852 -1081.4365 0.0000 0.0000 2726.2148 6236.0160 301.1180 3509.8012 6269.4869 301.0337 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: 1384.06, 0.00394713/step Wall: 1384.06, 0.00394713/step, 2.35731 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 350000 648.2475 1874.1676 2019.5926 117.9693 -0.7133 -1091.4603 0.0000 0.0000 2719.0920 6286.8954 300.3313 3567.8034 6319.7354 299.9989 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 350000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1384.92, 0.0043048/step Wall: 1384.92, 0.0043048/step, 2.57069 hours remaining, 111.746094 MB of memory in use. ENERGY: 350200 648.7240 1859.7878 1984.5867 116.5420 -1.6251 -1058.6103 0.0000 0.0000 2714.8085 6264.2135 299.8582 3549.4050 6296.9859 302.3833 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: 1385.71, 0.00395988/step Wall: 1385.71, 0.00395988/step, 2.36449 hours remaining, 111.746094 MB of memory in use. ENERGY: 350400 639.9672 1841.1190 1998.8917 103.4405 0.6279 -1050.9837 0.0000 0.0000 2788.2389 6321.3016 307.9688 3533.0627 6354.4224 300.1881 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: 1386.5, 0.00395019/step Wall: 1386.5, 0.00395019/step, 2.35848 hours remaining, 111.746094 MB of memory in use. ENERGY: 350600 677.9128 1844.4066 1960.8924 124.1520 -0.6996 -1050.8153 0.0000 0.0000 2762.6288 6318.4778 305.1400 3555.8490 6356.7071 302.4039 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: 1387.29, 0.00394454/step Wall: 1387.29, 0.00394454/step, 2.35489 hours remaining, 111.746094 MB of memory in use. ENERGY: 350800 672.5951 1847.2479 1980.5746 112.4255 -1.1379 -1037.5652 0.0000 0.0000 2707.1550 6281.2951 299.0128 3574.1401 6313.8476 301.4242 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: 1388.08, 0.00394572/step Wall: 1388.08, 0.00394572/step, 2.35538 hours remaining, 111.746094 MB of memory in use. ENERGY: 351000 654.6633 1775.6064 2017.7364 114.2950 -0.2782 -1054.5670 0.0000 0.0000 2754.6576 6262.1135 304.2596 3507.4559 6296.2490 300.8731 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: 1388.87, 0.00394736/step Wall: 1388.87, 0.00394736/step, 2.35614 hours remaining, 111.746094 MB of memory in use. ENERGY: 351200 644.2377 1801.7997 1989.6627 111.3652 -0.1127 -1024.8855 0.0000 0.0000 2713.8805 6235.9475 299.7557 3522.0670 6270.9735 298.3492 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: 1389.66, 0.00394881/step Wall: 1389.66, 0.00394881/step, 2.35678 hours remaining, 111.746094 MB of memory in use. ENERGY: 351400 664.7729 1865.9448 1985.9045 97.0227 1.1870 -1070.7413 0.0000 0.0000 2674.2624 6218.3530 295.3797 3544.0906 6249.3686 297.3218 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: 1390.45, 0.0039488/step Wall: 1390.45, 0.0039488/step, 2.35656 hours remaining, 111.746094 MB of memory in use. ENERGY: 351600 637.1800 1829.3893 1945.1536 109.3261 -0.3843 -1060.3983 0.0000 0.0000 2754.6823 6214.9486 304.2623 3460.2663 6249.4684 298.5065 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: 1391.24, 0.00394612/step Wall: 1391.24, 0.00394612/step, 2.35474 hours remaining, 111.746094 MB of memory in use. ENERGY: 351800 629.7090 1873.9492 1984.6301 111.2147 -0.0353 -1070.2456 0.0000 0.0000 2670.1654 6199.3874 294.9272 3529.2220 6232.5815 298.4888 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: 1392.03, 0.0039475/step Wall: 1392.03, 0.0039475/step, 2.35534 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 352000 662.7258 1847.0423 2004.5524 99.6043 -0.3776 -1101.5441 0.0000 0.0000 2726.9223 6238.9254 301.1962 3512.0031 6272.1441 299.2380 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: 1392.82, 0.00394632/step Wall: 1392.82, 0.00394632/step, 2.35442 hours remaining, 111.746094 MB of memory in use. ENERGY: 352200 675.6455 1835.3236 1981.0080 117.1147 -0.0207 -1052.5125 0.0000 0.0000 2684.7145 6241.2732 296.5342 3556.5586 6274.0910 297.9741 LDB: ============= START OF LOAD BALANCING ============== 1395.78 LDB: ============== END OF LOAD BALANCING =============== 1395.78 LDB: =============== DONE WITH MIGRATION ================ 1395.78 LDB: ============= START OF LOAD BALANCING ============== 1396.17 LDB: ============== END OF LOAD BALANCING =============== 1396.17 LDB: =============== DONE WITH MIGRATION ================ 1396.17 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: 1393.61, 0.00395336/step Wall: 1393.61, 0.00395336/step, 2.3584 hours remaining, 111.746094 MB of memory in use. ENERGY: 352400 674.3182 1819.6675 1985.8838 108.6012 -0.7334 -1096.8506 0.0000 0.0000 2710.9330 6201.8195 299.4301 3490.8865 6236.7997 297.4054 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: 1394.4, 0.00394696/step Wall: 1394.4, 0.00394696/step, 2.35436 hours remaining, 111.746094 MB of memory in use. ENERGY: 352600 656.6221 1781.5397 2007.2334 100.1512 0.0920 -1051.4659 0.0000 0.0000 2680.2060 6174.3785 296.0362 3494.1725 6210.2533 296.2335 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: 1395.19, 0.00394384/step Wall: 1395.19, 0.00394384/step, 2.35228 hours remaining, 111.746094 MB of memory in use. ENERGY: 352800 656.7598 1832.5027 2011.3935 117.8620 -1.2185 -1048.0439 0.0000 0.0000 2631.5324 6200.7881 290.6601 3569.2557 6229.6683 295.6448 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: 1395.98, 0.00394606/step Wall: 1395.98, 0.00394606/step, 2.35339 hours remaining, 111.746094 MB of memory in use. ENERGY: 353000 649.7737 1861.0886 2023.2882 113.2543 -0.1905 -1080.2456 0.0000 0.0000 2672.1225 6239.0912 295.1434 3566.9687 6272.9046 298.0215 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: 1396.77, 0.00394577/step Wall: 1396.77, 0.00394577/step, 2.35299 hours remaining, 111.746094 MB of memory in use. ENERGY: 353200 659.3435 1870.9892 2007.0672 112.8564 -0.3657 -1099.5739 0.0000 0.0000 2717.2591 6267.5758 300.1288 3550.3167 6300.3752 298.1863 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: 1397.56, 0.00394679/step Wall: 1397.56, 0.0039468/step, 2.35339 hours remaining, 111.746094 MB of memory in use. ENERGY: 353400 675.0703 1878.1573 1977.8652 106.8597 -1.2297 -1075.4206 0.0000 0.0000 2750.5808 6311.8831 303.8093 3561.3022 6344.7676 301.7841 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: 1398.35, 0.00394348/step Wall: 1398.35, 0.00394348/step, 2.35119 hours remaining, 111.746094 MB of memory in use. ENERGY: 353600 693.0622 1864.9095 1979.5091 100.2124 -2.1252 -1083.7412 0.0000 0.0000 2765.1378 6316.9647 305.4172 3551.8269 6350.9382 301.9822 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: 1399.13, 0.00394639/step Wall: 1399.13, 0.00394639/step, 2.35271 hours remaining, 111.746094 MB of memory in use. ENERGY: 353800 649.6437 1881.4437 2031.1618 110.6629 -1.4475 -1099.3096 0.0000 0.0000 2682.7340 6254.8890 296.3154 3572.1549 6287.0524 301.2797 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: 1399.92, 0.00394664/step Wall: 1399.92, 0.00394663/step, 2.35263 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 354000 645.1682 1888.7272 2019.6120 112.6788 -1.7610 -1096.1464 0.0000 0.0000 2695.9854 6264.2643 297.7791 3568.2789 6294.8005 299.5159 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: 1400.71, 0.00394829/step Wall: 1400.71, 0.0039483/step, 2.3534 hours remaining, 111.746094 MB of memory in use. ENERGY: 354200 695.2197 1855.4663 2013.7117 105.2350 -0.5383 -1116.7176 0.0000 0.0000 2696.9723 6249.3491 297.8881 3552.3768 6284.7283 300.1444 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: 1401.5, 0.00394761/step Wall: 1401.5, 0.0039476/step, 2.35277 hours remaining, 111.746094 MB of memory in use. ENERGY: 354400 674.6710 1844.5570 1996.0477 99.3445 -0.0952 -1069.8089 0.0000 0.0000 2742.5941 6287.3102 302.9272 3544.7160 6321.1855 301.4515 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: 1402.29, 0.00394498/step Wall: 1402.29, 0.00394498/step, 2.35099 hours remaining, 111.746094 MB of memory in use. ENERGY: 354600 668.9212 1836.2052 1972.7591 101.7264 -1.2383 -1040.2557 0.0000 0.0000 2752.4808 6290.5986 304.0192 3538.1178 6326.1050 300.9879 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: 1403.08, 0.00394776/step Wall: 1403.08, 0.00394777/step, 2.35243 hours remaining, 111.746094 MB of memory in use. ENERGY: 354800 689.6398 1919.1948 2001.3598 98.3743 0.2971 -1097.6046 0.0000 0.0000 2670.8746 6282.1358 295.0055 3611.2612 6315.4202 301.2925 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: 1403.87, 0.00394577/step Wall: 1403.87, 0.00394577/step, 2.35102 hours remaining, 111.746094 MB of memory in use. ENERGY: 355000 637.6772 1854.5066 1963.3243 106.7935 0.3124 -1049.6575 0.0000 0.0000 2747.2400 6260.1966 303.4403 3512.9566 6292.2852 301.8010 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: 1404.66, 0.00394851/step Wall: 1404.66, 0.00394851/step, 2.35243 hours remaining, 111.746094 MB of memory in use. ENERGY: 355200 668.0694 1841.1588 1981.2101 115.2699 -1.0365 -1064.4656 0.0000 0.0000 2695.8503 6236.0563 297.7642 3540.2061 6266.4962 299.0694 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: 1405.45, 0.00394902/step Wall: 1405.45, 0.00394902/step, 2.35252 hours remaining, 111.746094 MB of memory in use. ENERGY: 355400 631.4410 1854.8166 1958.7001 119.5895 -1.0757 -1078.1097 0.0000 0.0000 2703.7572 6189.1191 298.6375 3485.3619 6226.4324 297.0536 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: 1406.24, 0.00394421/step Wall: 1406.24, 0.00394421/step, 2.34943 hours remaining, 111.746094 MB of memory in use. ENERGY: 355600 618.3644 1781.5980 1980.8485 105.1953 0.0274 -1065.3498 0.0000 0.0000 2705.6670 6126.3509 298.8485 3420.6838 6162.0526 295.3273 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: 1407.03, 0.00394964/step Wall: 1407.03, 0.00394964/step, 2.35245 hours remaining, 111.746094 MB of memory in use. ENERGY: 355800 602.8708 1830.1388 2001.4000 112.7947 -1.8351 -1071.9075 0.0000 0.0000 2722.8550 6196.3167 300.7469 3473.4617 6230.6668 295.7353 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: 1407.82, 0.00394787/step Wall: 1407.82, 0.00394788/step, 2.35118 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 356000 649.1540 1833.0389 1992.2333 113.0561 -1.5203 -1047.9081 0.0000 0.0000 2717.5635 6255.6173 300.1625 3538.0538 6290.7182 298.4867 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: 1408.61, 0.00394948/step Wall: 1408.61, 0.00394947/step, 2.35191 hours remaining, 111.746094 MB of memory in use. ENERGY: 356200 719.5923 1817.5777 2004.8199 107.1337 -2.2144 -1064.2802 0.0000 0.0000 2729.1292 6311.7582 301.4399 3582.6290 6342.6156 300.9447 LDB: ============= START OF LOAD BALANCING ============== 1411.57 LDB: ============== END OF LOAD BALANCING =============== 1411.57 LDB: =============== DONE WITH MIGRATION ================ 1411.57 LDB: ============= START OF LOAD BALANCING ============== 1411.96 LDB: ============== END OF LOAD BALANCING =============== 1411.96 LDB: =============== DONE WITH MIGRATION ================ 1411.96 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: 1409.4, 0.00395464/step Wall: 1409.4, 0.00395465/step, 2.35477 hours remaining, 111.746094 MB of memory in use. ENERGY: 356400 677.3851 1872.8634 2029.8540 124.1299 -2.1087 -1078.5018 0.0000 0.0000 2702.0510 6325.6730 298.4491 3623.6220 6358.8239 303.2898 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: 1410.19, 0.00394453/step Wall: 1410.19, 0.00394453/step, 2.34853 hours remaining, 111.746094 MB of memory in use. ENERGY: 356600 667.4412 1855.3710 2005.7884 109.2440 -2.2698 -1067.5100 0.0000 0.0000 2751.1269 6319.1918 303.8696 3568.0649 6354.4906 303.4849 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: 1410.98, 0.00394982/step Wall: 1410.98, 0.00394982/step, 2.35146 hours remaining, 111.746094 MB of memory in use. ENERGY: 356800 680.5887 1842.2525 2037.7138 113.0984 -1.7551 -1058.0355 0.0000 0.0000 2700.0299 6313.8925 298.2258 3613.8627 6347.4654 303.5196 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: 1411.77, 0.00394905/step Wall: 1411.77, 0.00394905/step, 2.35078 hours remaining, 111.746094 MB of memory in use. ENERGY: 357000 683.8080 1859.8848 2003.0000 113.5481 -1.4811 -1040.7697 0.0000 0.0000 2732.1835 6350.1737 301.7773 3617.9901 6384.2880 302.6453 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: 1412.56, 0.0039485/step Wall: 1412.56, 0.0039485/step, 2.35024 hours remaining, 111.746094 MB of memory in use. ENERGY: 357200 638.3591 1914.2187 1995.0559 117.3570 -2.1054 -1059.8924 0.0000 0.0000 2715.0397 6318.0326 299.8837 3602.9928 6354.0604 303.7813 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: 1413.35, 0.00394414/step Wall: 1413.35, 0.00394414/step, 2.34742 hours remaining, 111.746094 MB of memory in use. ENERGY: 357400 639.7864 1833.5834 1992.7187 111.0774 -2.1214 -1021.5926 0.0000 0.0000 2754.4427 6307.8946 304.2359 3553.4519 6344.2919 301.4155 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: 1414.14, 0.00394826/step Wall: 1414.14, 0.00394826/step, 2.34965 hours remaining, 111.746094 MB of memory in use. ENERGY: 357600 639.6026 1880.8938 2022.3891 109.6895 -0.5383 -1054.3486 0.0000 0.0000 2774.0145 6371.7026 306.3976 3597.6880 6407.7099 304.9014 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: 1414.93, 0.00394812/step Wall: 1414.93, 0.00394812/step, 2.34935 hours remaining, 111.746094 MB of memory in use. ENERGY: 357800 714.2785 1934.4385 1987.9979 106.6318 -0.4142 -1077.9843 0.0000 0.0000 2735.2871 6400.2353 302.1201 3664.9482 6431.3735 306.1837 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: 1415.72, 0.00395025/step Wall: 1415.72, 0.00395025/step, 2.3504 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 358000 683.4024 1899.5971 1989.8633 113.9984 -1.1215 -1079.2309 0.0000 0.0000 2746.6468 6353.1556 303.3748 3606.5087 6385.4129 307.2196 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: 1416.51, 0.00394918/step Wall: 1416.51, 0.00394918/step, 2.34954 hours remaining, 111.746094 MB of memory in use. ENERGY: 358200 673.7976 1937.0000 1988.4676 118.3773 -1.4837 -1102.4049 0.0000 0.0000 2734.3316 6348.0856 302.0145 3613.7539 6380.3160 304.4717 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: 1417.29, 0.00394525/step Wall: 1417.29, 0.00394525/step, 2.34698 hours remaining, 111.746094 MB of memory in use. ENERGY: 358400 693.0935 1878.1799 2000.2189 112.1508 -1.5250 -1071.6047 0.0000 0.0000 2724.3006 6334.8139 300.9066 3610.5133 6366.3116 305.4360 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: 1418.08, 0.0039494/step Wall: 1418.08, 0.0039494/step, 2.34923 hours remaining, 111.746094 MB of memory in use. ENERGY: 358600 650.4272 1897.8893 1968.7570 93.8199 0.2236 -1047.6025 0.0000 0.0000 2712.1006 6275.6152 299.5591 3563.5146 6306.7551 301.0979 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: 1418.88, 0.00396307/step Wall: 1418.88, 0.00396307/step, 2.35714 hours remaining, 111.746094 MB of memory in use. ENERGY: 358800 660.8690 1855.9805 1982.6146 107.3077 -1.7684 -1072.2489 0.0000 0.0000 2774.7719 6307.5264 306.4813 3532.7545 6341.4345 302.8946 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: 1419.67, 0.00394962/step Wall: 1419.67, 0.00394962/step, 2.34892 hours remaining, 111.746094 MB of memory in use. ENERGY: 359000 603.6867 1898.0475 1957.4306 108.7744 -1.0316 -1068.2898 0.0000 0.0000 2759.3385 6257.9564 304.7766 3498.6179 6293.3127 302.1602 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: 1420.46, 0.00394957/step Wall: 1420.46, 0.00394957/step, 2.34868 hours remaining, 111.746094 MB of memory in use. ENERGY: 359200 669.5954 1826.1172 1986.6417 104.0456 -1.7214 -1057.5156 0.0000 0.0000 2666.2002 6193.3630 294.4892 3527.1629 6225.1523 298.8318 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: 1421.25, 0.00396181/step Wall: 1421.25, 0.00396181/step, 2.35574 hours remaining, 111.746094 MB of memory in use. ENERGY: 359400 660.4400 1854.2610 2016.0766 106.8691 -2.0327 -1088.4913 0.0000 0.0000 2696.7918 6243.9146 297.8682 3547.1228 6276.4389 297.3038 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: 1422.04, 0.00395372/step Wall: 1422.04, 0.00395372/step, 2.3507 hours remaining, 111.746094 MB of memory in use. ENERGY: 359600 651.0962 1846.1570 2005.3513 102.1467 -1.0182 -1057.3850 0.0000 0.0000 2680.9414 6227.2895 296.1175 3546.3481 6260.3596 298.9426 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: 1422.83, 0.00395069/step Wall: 1422.83, 0.00395069/step, 2.34869 hours remaining, 111.746094 MB of memory in use. ENERGY: 359800 666.3798 1793.0786 1994.8611 112.1483 0.7539 -1038.4193 0.0000 0.0000 2675.2670 6204.0693 295.4907 3528.8023 6236.8192 295.3037 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: 1423.62, 0.00395259/step Wall: 1423.62, 0.00395259/step, 2.3496 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 360000 650.6817 1849.8336 2000.6124 118.8105 -2.2578 -1061.5705 0.0000 0.0000 2582.0508 6138.1608 285.1947 3556.1100 6167.8552 295.2915 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 360000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1424.45, 0.00414768/step Wall: 1424.45, 0.00414768/step, 2.46534 hours remaining, 111.746094 MB of memory in use. ENERGY: 360200 643.2791 1772.7871 1984.8478 98.5263 -1.1880 -1041.3312 0.0000 0.0000 2630.2341 6087.1552 290.5167 3456.9211 6118.9523 291.8105 LDB: ============= START OF LOAD BALANCING ============== 1427.41 LDB: ============== END OF LOAD BALANCING =============== 1427.41 LDB: =============== DONE WITH MIGRATION ================ 1427.41 LDB: ============= START OF LOAD BALANCING ============== 1427.8 LDB: ============== END OF LOAD BALANCING =============== 1427.8 LDB: =============== DONE WITH MIGRATION ================ 1427.8 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: 1425.24, 0.00395066/step Wall: 1425.24, 0.00395066/step, 2.34801 hours remaining, 111.746094 MB of memory in use. ENERGY: 360400 613.0927 1825.3731 1992.7411 108.4657 -0.5852 -1091.3028 0.0000 0.0000 2666.7316 6114.5162 294.5479 3447.7846 6146.4776 291.2300 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: 1426.03, 0.00395008/step Wall: 1426.03, 0.00395008/step, 2.34744 hours remaining, 111.746094 MB of memory in use. ENERGY: 360600 640.8512 1809.6438 1988.7853 107.0137 -2.3691 -1094.2110 0.0000 0.0000 2705.4741 6155.1880 298.8271 3449.7140 6188.9805 294.0674 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: 1426.82, 0.00394917/step Wall: 1426.82, 0.00394917/step, 2.34668 hours remaining, 111.746094 MB of memory in use. ENERGY: 360800 660.3001 1819.5282 2000.2194 104.8634 -2.0564 -1090.7973 0.0000 0.0000 2676.2978 6168.3552 295.6046 3492.0573 6201.4440 294.7273 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: 1427.61, 0.00395043/step Wall: 1427.61, 0.00395042/step, 2.34721 hours remaining, 111.746094 MB of memory in use. ENERGY: 361000 635.4899 1840.1484 2003.8379 119.0876 -1.2573 -1048.9833 0.0000 0.0000 2633.1809 6181.5042 290.8422 3548.3233 6212.9492 295.9878 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: 1428.4, 0.00394436/step Wall: 1428.4, 0.00394437/step, 2.34339 hours remaining, 111.746094 MB of memory in use. ENERGY: 361200 646.0768 1874.8732 1984.6026 113.4254 -0.4397 -1068.4679 0.0000 0.0000 2672.6691 6222.7395 295.2037 3550.0704 6256.5892 296.7178 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: 1429.19, 0.00395018/step Wall: 1429.19, 0.00395018/step, 2.34662 hours remaining, 111.746094 MB of memory in use. ENERGY: 361400 649.4917 1845.2321 1991.1461 104.7956 -1.0595 -1087.6677 0.0000 0.0000 2696.5541 6198.4925 297.8419 3501.9384 6230.6971 296.3990 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: 1429.98, 0.00394928/step Wall: 1429.98, 0.00394928/step, 2.34588 hours remaining, 111.746094 MB of memory in use. ENERGY: 361600 642.7812 1804.4655 1990.0728 111.7414 -1.9918 -1093.4223 0.0000 0.0000 2748.7055 6202.3522 303.6022 3453.6467 6236.0981 298.7203 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: 1430.77, 0.00395025/step Wall: 1430.77, 0.00395025/step, 2.34623 hours remaining, 111.746094 MB of memory in use. ENERGY: 361800 684.0283 1834.7474 2005.5598 109.9585 0.3723 -1084.7243 0.0000 0.0000 2686.5826 6236.5245 296.7405 3549.9419 6270.1832 299.5358 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: 1431.56, 0.00394964/step Wall: 1431.56, 0.00394964/step, 2.34564 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 362000 648.6143 1837.2634 2003.2752 106.1991 -0.4639 -1036.0668 0.0000 0.0000 2733.7616 6292.5828 301.9516 3558.8212 6326.2101 299.5099 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: 1432.35, 0.0039441/step Wall: 1432.35, 0.0039441/step, 2.34214 hours remaining, 111.746094 MB of memory in use. ENERGY: 362200 677.8669 1790.3390 2009.1351 110.8769 -0.4503 -1034.0857 0.0000 0.0000 2671.8489 6225.5309 295.1132 3553.6820 6255.9969 299.3943 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: 1433.14, 0.00395025/step Wall: 1433.14, 0.00395025/step, 2.34557 hours remaining, 111.746094 MB of memory in use. ENERGY: 362400 652.2426 1864.2090 1970.4581 108.1911 -1.2818 -1062.3558 0.0000 0.0000 2696.6981 6228.1613 297.8578 3531.4632 6262.6043 297.9139 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: 1433.93, 0.00394996/step Wall: 1433.93, 0.00394996/step, 2.34518 hours remaining, 111.746094 MB of memory in use. ENERGY: 362600 648.3929 1822.0310 1979.0878 106.1522 0.3989 -1062.0348 0.0000 0.0000 2701.0249 6195.0529 298.3357 3494.0281 6227.0264 298.8160 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: 1434.72, 0.00395159/step Wall: 1434.72, 0.00395159/step, 2.34593 hours remaining, 111.746094 MB of memory in use. ENERGY: 362800 657.6181 1802.6772 1997.9592 114.5954 -1.3939 -1012.5960 0.0000 0.0000 2679.4085 6238.2686 295.9481 3558.8601 6273.3931 296.3696 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: 1435.51, 0.0039506/step Wall: 1435.51, 0.0039506/step, 2.34512 hours remaining, 111.746094 MB of memory in use. ENERGY: 363000 628.0058 1877.9267 1982.7288 101.8307 -0.1358 -1084.2421 0.0000 0.0000 2690.8057 6196.9198 297.2070 3506.1141 6228.2426 297.6041 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: 1436.3, 0.00394503/step Wall: 1436.3, 0.00394503/step, 2.3416 hours remaining, 111.746094 MB of memory in use. ENERGY: 363200 670.1007 1855.9868 1974.9310 99.8965 -0.7590 -1068.9226 0.0000 0.0000 2623.3400 6154.5733 289.7552 3531.2333 6188.6006 295.1302 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: 1437.09, 0.00395216/step Wall: 1437.09, 0.00395216/step, 2.34561 hours remaining, 111.746094 MB of memory in use. ENERGY: 363400 645.8855 1797.8753 2018.0379 110.3935 -0.8771 -1087.8160 0.0000 0.0000 2650.9188 6134.4179 292.8014 3483.4990 6166.9214 294.5601 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: 1437.88, 0.00395132/step Wall: 1437.88, 0.00395132/step, 2.34489 hours remaining, 111.746094 MB of memory in use. ENERGY: 363600 614.0600 1818.2048 1986.0849 102.9204 -0.1415 -1059.8578 0.0000 0.0000 2694.0855 6155.3563 297.5692 3461.2708 6186.8589 293.8601 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: 1438.67, 0.00395308/step Wall: 1438.67, 0.00395308/step, 2.34571 hours remaining, 111.746094 MB of memory in use. ENERGY: 363800 679.5958 1802.4964 1996.0243 102.0446 -0.4953 -1056.8873 0.0000 0.0000 2646.2457 6169.0241 292.2852 3522.7784 6199.4734 295.2712 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: 1439.46, 0.00395435/step Wall: 1439.46, 0.00395435/step, 2.34625 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 364000 641.1434 1816.8803 1991.8797 106.0010 -0.0877 -1075.4995 0.0000 0.0000 2745.8776 6226.1948 303.2898 3480.3172 6262.0406 297.0424 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: 1440.25, 0.00394599/step Wall: 1440.25, 0.00394599/step, 2.34107 hours remaining, 111.746094 MB of memory in use. ENERGY: 364200 652.1819 1841.2875 1999.0950 110.6262 -2.2540 -1035.0216 0.0000 0.0000 2698.4521 6264.3671 298.0516 3565.9150 6298.1817 299.0807 LDB: ============= START OF LOAD BALANCING ============== 1443.21 LDB: ============== END OF LOAD BALANCING =============== 1443.21 LDB: =============== DONE WITH MIGRATION ================ 1443.21 LDB: ============= START OF LOAD BALANCING ============== 1443.6 LDB: ============== END OF LOAD BALANCING =============== 1443.6 LDB: =============== DONE WITH MIGRATION ================ 1443.6 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: 1441.04, 0.00395781/step Wall: 1441.04, 0.00395781/step, 2.34786 hours remaining, 111.746094 MB of memory in use. ENERGY: 364400 635.5292 1859.2930 2020.9663 99.9943 -1.4869 -1048.3459 0.0000 0.0000 2739.2024 6305.1523 302.5525 3565.9498 6336.3119 300.5368 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: 1441.83, 0.00395185/step Wall: 1441.83, 0.00395185/step, 2.3441 hours remaining, 111.746094 MB of memory in use. ENERGY: 364600 653.7430 1755.0797 1999.7464 108.4032 -0.9149 -998.4012 0.0000 0.0000 2740.8399 6258.4961 302.7334 3517.6562 6291.3057 299.5644 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: 1442.62, 0.00395218/step Wall: 1442.62, 0.00395218/step, 2.34408 hours remaining, 111.746094 MB of memory in use. ENERGY: 364800 607.2884 1834.8547 1991.5060 101.9241 -2.6431 -1019.7992 0.0000 0.0000 2727.3009 6240.4317 301.2380 3513.1309 6277.4839 297.8954 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: 1443.41, 0.00394534/step Wall: 1443.41, 0.00394534/step, 2.3398 hours remaining, 111.746094 MB of memory in use. ENERGY: 365000 652.1016 1864.1981 1995.3801 106.0515 -2.6666 -1045.2449 0.0000 0.0000 2748.2895 6318.1093 303.5562 3569.8198 6351.3145 300.3900 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: 1444.2, 0.00395105/step Wall: 1444.2, 0.00395105/step, 2.34298 hours remaining, 111.746094 MB of memory in use. ENERGY: 365200 629.9309 1818.8613 2024.6109 102.8885 -1.9820 -1035.3429 0.0000 0.0000 2714.8091 6253.7757 299.8582 3538.9666 6287.2020 299.5178 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: 1444.99, 0.00395116/step Wall: 1444.99, 0.00395116/step, 2.34282 hours remaining, 111.746094 MB of memory in use. ENERGY: 365400 647.5220 1860.1745 2013.0264 105.5493 -2.3180 -1056.6036 0.0000 0.0000 2704.5636 6271.9142 298.7266 3567.3506 6305.1377 298.3317 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: 1445.78, 0.00395134/step Wall: 1445.78, 0.00395134/step, 2.34271 hours remaining, 111.746094 MB of memory in use. ENERGY: 365600 652.8110 1863.4024 2030.8460 106.7729 -1.2485 -1037.6049 0.0000 0.0000 2635.1532 6250.1321 291.0600 3614.9789 6281.1149 299.0860 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: 1446.57, 0.00395079/step Wall: 1446.57, 0.00395079/step, 2.34216 hours remaining, 111.746094 MB of memory in use. ENERGY: 365800 650.5688 1851.4302 2043.2589 102.9967 -2.7918 -1048.5607 0.0000 0.0000 2672.3092 6269.2114 295.1640 3596.9022 6299.0698 297.2067 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: 1447.36, 0.00394492/step Wall: 1447.36, 0.00394492/step, 2.33846 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 366000 674.0090 1809.5496 2016.6850 102.1490 -2.2938 -1059.0975 0.0000 0.0000 2709.3396 6250.3409 299.2541 3541.0013 6283.9603 297.6887 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: 1448.15, 0.00395203/step Wall: 1448.15, 0.00395203/step, 2.34245 hours remaining, 111.746094 MB of memory in use. ENERGY: 366200 675.1321 1873.6782 1989.8987 107.5192 -1.8407 -1100.4616 0.0000 0.0000 2695.5846 6239.5104 297.7348 3543.9258 6268.9273 298.8110 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: 1448.94, 0.00395203/step Wall: 1448.94, 0.00395203/step, 2.34224 hours remaining, 111.746094 MB of memory in use. ENERGY: 366400 677.6792 1829.1338 2044.4473 104.6784 -3.3112 -1093.8112 0.0000 0.0000 2736.4737 6295.2900 302.2511 3558.8163 6326.9593 300.6173 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: 1449.73, 0.00395183/step Wall: 1449.73, 0.00395183/step, 2.3419 hours remaining, 111.746094 MB of memory in use. ENERGY: 366600 598.3780 1899.7320 1997.1934 101.1197 -2.2587 -1025.7181 0.0000 0.0000 2758.0669 6326.5131 304.6362 3568.4462 6358.5991 302.7090 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: 1450.52, 0.00395121/step Wall: 1450.52, 0.00395121/step, 2.34131 hours remaining, 111.746094 MB of memory in use. ENERGY: 366800 681.1458 1820.2333 2019.9551 104.4452 -1.0710 -1019.0706 0.0000 0.0000 2755.2224 6360.8602 304.3220 3605.6379 6395.7977 303.6892 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: 1451.31, 0.00394542/step Wall: 1451.31, 0.00394542/step, 2.33766 hours remaining, 111.746094 MB of memory in use. ENERGY: 367000 662.5026 1832.4855 2030.8372 116.0824 -1.9964 -1065.0050 0.0000 0.0000 2686.4734 6261.3796 296.7285 3574.9063 6294.3700 301.8813 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: 1452.1, 0.00395169/step Wall: 1452.1, 0.00395169/step, 2.34115 hours remaining, 111.746094 MB of memory in use. ENERGY: 367200 640.7739 1877.8297 1995.5405 105.0371 -1.8604 -1047.2018 0.0000 0.0000 2724.0206 6294.1397 300.8757 3570.1191 6326.9750 298.3688 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: 1452.89, 0.00395151/step Wall: 1452.89, 0.00395151/step, 2.34083 hours remaining, 111.746094 MB of memory in use. ENERGY: 367400 656.2489 1835.9812 2028.4172 114.8995 -2.0696 -1053.0904 0.0000 0.0000 2691.2016 6271.5884 297.2507 3580.3868 6302.1622 299.5866 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: 1453.68, 0.00395305/step Wall: 1453.68, 0.00395305/step, 2.34152 hours remaining, 111.746094 MB of memory in use. ENERGY: 367600 632.9928 1821.1701 2023.8763 108.1853 -0.0831 -1054.5873 0.0000 0.0000 2687.3661 6218.9203 296.8271 3531.5542 6253.0156 298.0600 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: 1454.47, 0.00394699/step Wall: 1454.47, 0.00394699/step, 2.33772 hours remaining, 111.746094 MB of memory in use. ENERGY: 367800 626.8149 1776.3903 2015.7291 110.5206 -2.7493 -1002.7962 0.0000 0.0000 2698.3426 6222.2520 298.0395 3523.9095 6255.4068 294.6203 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: 1455.26, 0.00394829/step Wall: 1455.26, 0.00394829/step, 2.33827 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 368000 642.4760 1843.8779 2028.2998 118.9667 -1.9597 -1063.9015 0.0000 0.0000 2687.7635 6255.5227 296.8710 3567.7592 6288.8520 297.6743 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: 1456.05, 0.00395079/step Wall: 1456.05, 0.00395079/step, 2.33953 hours remaining, 111.746094 MB of memory in use. ENERGY: 368200 649.4306 1856.7363 2020.1364 102.4464 -2.6207 -1030.9506 0.0000 0.0000 2702.0175 6297.1960 298.4454 3595.1784 6330.3826 298.9823 LDB: ============= START OF LOAD BALANCING ============== 1459.01 LDB: ============== END OF LOAD BALANCING =============== 1459.01 LDB: =============== DONE WITH MIGRATION ================ 1459.01 LDB: ============= START OF LOAD BALANCING ============== 1459.41 LDB: ============== END OF LOAD BALANCING =============== 1459.41 LDB: =============== DONE WITH MIGRATION ================ 1459.41 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: 1456.84, 0.00395335/step Wall: 1456.84, 0.00395335/step, 2.34082 hours remaining, 111.746094 MB of memory in use. ENERGY: 368400 631.6510 1784.4499 2001.4290 109.9450 -2.7403 -1028.9681 0.0000 0.0000 2813.5656 6309.3320 310.7662 3495.7664 6347.3333 301.4263 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: 1457.63, 0.00395153/step Wall: 1457.63, 0.00395154/step, 2.33953 hours remaining, 111.746094 MB of memory in use. ENERGY: 368600 593.9044 1889.8464 1996.3436 102.6815 -3.4439 -996.1975 0.0000 0.0000 2709.1811 6292.3158 299.2366 3583.1347 6325.5548 301.5596 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: 1458.42, 0.00394292/step Wall: 1458.42, 0.00394292/step, 2.33421 hours remaining, 111.746094 MB of memory in use. ENERGY: 368800 677.2025 1816.1689 1999.5672 122.2096 -2.1213 -1067.9548 0.0000 0.0000 2755.6808 6300.7530 304.3726 3545.0721 6334.7863 300.3491 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: 1459.21, 0.00395627/step Wall: 1459.21, 0.00395627/step, 2.34189 hours remaining, 111.746094 MB of memory in use. ENERGY: 369000 680.6175 1855.0170 2010.2324 110.0481 -2.6482 -1058.6507 0.0000 0.0000 2672.3543 6266.9704 295.1690 3594.6161 6297.4894 301.2619 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: 1460, 0.00394819/step Wall: 1460, 0.00394819/step, 2.33689 hours remaining, 111.746094 MB of memory in use. ENERGY: 369200 670.7392 1868.4602 1990.4261 102.8739 -2.0068 -1037.2500 0.0000 0.0000 2727.3524 6320.5950 301.2437 3593.2426 6355.5451 302.0794 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: 1460.79, 0.00394951/step Wall: 1460.79, 0.00394951/step, 2.33745 hours remaining, 111.746094 MB of memory in use. ENERGY: 369400 662.3850 1881.2612 2004.6959 110.1722 -1.5744 -1016.9256 0.0000 0.0000 2705.0324 6345.0467 298.7784 3640.0143 6375.2959 303.0366 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: 1461.58, 0.00395118/step Wall: 1461.58, 0.00395118/step, 2.33822 hours remaining, 111.746094 MB of memory in use. ENERGY: 369600 671.5074 1896.0248 2007.1950 101.3218 -1.9182 -1060.2888 0.0000 0.0000 2769.5597 6383.4016 305.9056 3613.8419 6417.7778 303.6679 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: 1462.37, 0.0039451/step Wall: 1462.37, 0.0039451/step, 2.3344 hours remaining, 111.746094 MB of memory in use. ENERGY: 369800 671.3631 1862.3256 1972.7025 102.4452 -2.4452 -1057.2410 0.0000 0.0000 2804.3499 6353.5002 309.7483 3549.1503 6388.6492 305.6315 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: 1463.16, 0.00395033/step Wall: 1463.16, 0.00395033/step, 2.33728 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 370000 685.0136 1858.9655 1979.0503 110.1441 -0.3796 -1028.5750 0.0000 0.0000 2709.5053 6313.7242 299.2724 3604.2190 6347.1776 301.2573 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 370000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1463.99, 0.00414227/step Wall: 1463.99, 0.00414227/step, 2.45061 hours remaining, 111.746094 MB of memory in use. ENERGY: 370200 664.1559 1830.0395 2026.7982 114.7570 -2.2849 -1042.2575 0.0000 0.0000 2700.1531 6291.3614 298.2394 3591.2083 6327.4428 300.8767 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: 1464.78, 0.00394986/step Wall: 1464.78, 0.00394986/step, 2.33656 hours remaining, 111.746094 MB of memory in use. ENERGY: 370400 674.6702 1797.7665 1998.1915 105.1523 -1.9289 -1038.5304 0.0000 0.0000 2726.9168 6262.2381 301.1956 3535.3213 6297.4989 299.7846 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: 1465.57, 0.00394934/step Wall: 1465.57, 0.00394934/step, 2.33603 hours remaining, 111.746094 MB of memory in use. ENERGY: 370600 663.0266 1873.7427 1972.7099 100.4649 -2.3918 -1033.8597 0.0000 0.0000 2721.5402 6295.2327 300.6017 3573.6926 6325.9325 300.6790 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: 1466.36, 0.00394491/step Wall: 1466.36, 0.00394491/step, 2.33319 hours remaining, 111.746094 MB of memory in use. ENERGY: 370800 695.6051 1844.3556 1995.5810 106.8612 -2.5128 -1058.9342 0.0000 0.0000 2651.3172 6232.2729 292.8454 3580.9558 6266.1332 299.2822 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: 1467.15, 0.00395235/step Wall: 1467.15, 0.00395235/step, 2.33738 hours remaining, 111.746094 MB of memory in use. ENERGY: 371000 642.3964 1824.5807 1973.8875 104.1271 -0.8214 -1050.8411 0.0000 0.0000 2693.4676 6186.7969 297.5010 3493.3293 6222.3639 294.8256 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: 1467.94, 0.00395089/step Wall: 1467.94, 0.00395089/step, 2.3363 hours remaining, 111.746094 MB of memory in use. ENERGY: 371200 675.0400 1839.0775 1976.3610 103.0104 -2.0339 -1060.2010 0.0000 0.0000 2627.2036 6158.4575 290.1820 3531.2539 6189.5100 293.6575 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: 1468.73, 0.00395099/step Wall: 1468.73, 0.00395099/step, 2.33613 hours remaining, 111.746094 MB of memory in use. ENERGY: 371400 654.5985 1810.5248 1984.9180 106.9012 -2.2838 -1106.3275 0.0000 0.0000 2697.4947 6145.8259 297.9458 3448.3312 6182.5645 292.9543 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: 1469.52, 0.00394851/step Wall: 1469.52, 0.00394851/step, 2.33445 hours remaining, 111.746094 MB of memory in use. ENERGY: 371600 651.2523 1807.1866 1984.2975 112.4022 -2.1156 -1064.7152 0.0000 0.0000 2677.1824 6165.4901 295.7023 3488.3077 6197.6760 293.6834 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: 1470.31, 0.00394315/step Wall: 1470.31, 0.00394315/step, 2.33106 hours remaining, 111.746094 MB of memory in use. ENERGY: 371800 659.9656 1850.9092 1986.1533 101.6293 -0.1877 -1101.4079 0.0000 0.0000 2637.0205 6134.0822 291.2663 3497.0617 6166.4203 293.6312 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: 1471.1, 0.00395023/step Wall: 1471.1, 0.00395023/step, 2.33502 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 372000 649.8247 1809.5833 2010.8890 112.7659 -0.6647 -1074.0441 0.0000 0.0000 2586.7848 6095.1390 285.7176 3508.3541 6128.3152 290.8982 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: 1471.89, 0.00394858/step Wall: 1471.89, 0.00394858/step, 2.33383 hours remaining, 111.746094 MB of memory in use. ENERGY: 372200 653.3872 1759.4797 1991.6881 113.9812 -0.4698 -1114.6887 0.0000 0.0000 2631.7415 6035.1192 290.6832 3403.3777 6066.4907 289.9724 LDB: ============= START OF LOAD BALANCING ============== 1474.85 LDB: ============== END OF LOAD BALANCING =============== 1474.85 LDB: =============== DONE WITH MIGRATION ================ 1474.85 LDB: ============= START OF LOAD BALANCING ============== 1475.24 LDB: ============== END OF LOAD BALANCING =============== 1475.24 LDB: =============== DONE WITH MIGRATION ================ 1475.24 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: 1472.68, 0.00395494/step Wall: 1472.68, 0.00395494/step, 2.33737 hours remaining, 111.746094 MB of memory in use. ENERGY: 372400 659.8116 1854.0825 1975.3593 113.9325 -0.4350 -1108.5099 0.0000 0.0000 2599.3709 6093.6120 287.1078 3494.2411 6122.1738 288.2630 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: 1473.47, 0.00394474/step Wall: 1473.47, 0.00394474/step, 2.33112 hours remaining, 111.746094 MB of memory in use. ENERGY: 372600 627.7759 1796.1723 2016.8319 100.4235 -1.1909 -1098.1888 0.0000 0.0000 2615.6671 6057.4910 288.9077 3441.8240 6087.5744 290.9268 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: 1474.26, 0.0039496/step Wall: 1474.26, 0.0039496/step, 2.33377 hours remaining, 111.746094 MB of memory in use. ENERGY: 372800 644.7202 1832.6863 2001.7019 102.0278 -0.3394 -1088.5260 0.0000 0.0000 2640.7216 6132.9924 291.6751 3492.2708 6164.0830 291.0803 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: 1475.05, 0.00394952/step Wall: 1475.05, 0.00394952/step, 2.33351 hours remaining, 111.746094 MB of memory in use. ENERGY: 373000 662.0148 1824.3597 1981.7104 100.1461 -0.3918 -1092.8874 0.0000 0.0000 2665.7659 6140.7179 294.4413 3474.9520 6173.1763 294.0188 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: 1475.84, 0.00394974/step Wall: 1475.84, 0.00394974/step, 2.33342 hours remaining, 111.746094 MB of memory in use. ENERGY: 373200 622.0468 1820.0202 2009.8450 107.1084 -0.9743 -1067.9213 0.0000 0.0000 2690.3389 6180.4637 297.1554 3490.1248 6212.5432 295.3213 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: 1476.63, 0.00395064/step Wall: 1476.63, 0.00395064/step, 2.33373 hours remaining, 111.746094 MB of memory in use. ENERGY: 373400 643.9653 1878.1431 1985.6506 127.1601 -1.2534 -1084.2147 0.0000 0.0000 2601.5276 6150.9786 287.3460 3549.4510 6180.9751 295.5725 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: 1477.42, 0.00394542/step Wall: 1477.42, 0.00394542/step, 2.33043 hours remaining, 111.746094 MB of memory in use. ENERGY: 373600 600.5736 1847.5485 1985.9712 102.4398 -0.2105 -1085.4066 0.0000 0.0000 2675.5470 6126.4630 295.5216 3450.9160 6160.0658 293.2925 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: 1478.21, 0.00394997/step Wall: 1478.21, 0.00394997/step, 2.33289 hours remaining, 111.746094 MB of memory in use. ENERGY: 373800 615.3567 1839.0212 2012.5326 121.4196 -1.5815 -1093.0900 0.0000 0.0000 2641.4910 6135.1496 291.7600 3493.6586 6167.7675 293.6223 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: 1479, 0.00394899/step Wall: 1479, 0.00394899/step, 2.3321 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 374000 641.1306 1828.9671 2028.1146 112.0569 -2.3476 -1079.7338 0.0000 0.0000 2577.4691 6105.6568 284.6886 3528.1877 6136.1163 293.1254 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: 1479.79, 0.0039524/step Wall: 1479.79, 0.0039524/step, 2.33389 hours remaining, 111.746094 MB of memory in use. ENERGY: 374200 656.9122 1800.7287 1981.6450 112.1046 -1.2382 -1128.4902 0.0000 0.0000 2659.8702 6081.5323 293.7901 3421.6622 6118.2690 291.3355 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: 1480.58, 0.00395912/step Wall: 1480.58, 0.00395912/step, 2.33764 hours remaining, 111.746094 MB of memory in use. ENERGY: 374400 614.7809 1788.3404 1969.5117 114.6830 -1.1360 -1040.5766 0.0000 0.0000 2694.4397 6140.0431 297.6084 3445.6035 6174.3038 291.3555 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: 1481.37, 0.00394652/step Wall: 1481.37, 0.00394652/step, 2.32998 hours remaining, 111.746094 MB of memory in use. ENERGY: 374600 678.5222 1842.6898 2014.0494 98.7466 -0.7152 -1055.9273 0.0000 0.0000 2597.7965 6175.1620 286.9339 3577.3655 6203.7571 293.8776 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: 1482.16, 0.00394964/step Wall: 1482.16, 0.00394964/step, 2.33161 hours remaining, 111.746094 MB of memory in use. ENERGY: 374800 632.0313 1777.3448 2006.9811 114.0064 -0.8600 -1077.4429 0.0000 0.0000 2691.6407 6143.7014 297.2992 3452.0607 6177.0056 292.8503 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: 1482.95, 0.00395168/step Wall: 1482.95, 0.00395168/step, 2.33259 hours remaining, 111.746094 MB of memory in use. ENERGY: 375000 642.4994 1813.5578 1995.6363 95.1952 -0.4425 -1030.1159 0.0000 0.0000 2655.1739 6171.5041 293.2714 3516.3302 6201.8057 294.2067 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: 1483.74, 0.00395541/step Wall: 1483.74, 0.00395541/step, 2.33457 hours remaining, 111.746094 MB of memory in use. ENERGY: 375200 650.8084 1820.1306 1979.4262 112.0045 1.2657 -1027.8927 0.0000 0.0000 2605.2736 6141.0164 287.7597 3535.7428 6173.1170 292.0101 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: 1484.53, 0.00394735/step Wall: 1484.53, 0.00394735/step, 2.32959 hours remaining, 111.746094 MB of memory in use. ENERGY: 375400 662.5647 1803.2532 2004.5835 101.1780 -1.4932 -1035.6284 0.0000 0.0000 2652.1497 6186.6074 292.9373 3534.4577 6218.3008 293.2219 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: 1485.32, 0.00395257/step Wall: 1485.32, 0.00395257/step, 2.33246 hours remaining, 111.746094 MB of memory in use. ENERGY: 375600 639.2836 1797.5987 2008.0298 105.0661 -1.4965 -1062.2884 0.0000 0.0000 2740.6479 6226.8412 302.7122 3486.1933 6259.6101 296.0577 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: 1486.11, 0.00395326/step Wall: 1486.11, 0.00395326/step, 2.33265 hours remaining, 111.746094 MB of memory in use. ENERGY: 375800 645.8192 1808.2197 2014.4512 110.0074 -0.6534 -1107.3509 0.0000 0.0000 2698.2841 6168.7772 298.0330 3470.4931 6205.6851 297.4685 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: 1486.9, 0.00395286/step Wall: 1486.9, 0.00395286/step, 2.33219 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 376000 652.5347 1835.9367 2014.0709 105.9622 -1.3085 -1091.8572 0.0000 0.0000 2646.8389 6162.1778 292.3507 3515.3389 6193.5319 294.5400 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: 1487.69, 0.00395221/step Wall: 1487.69, 0.00395221/step, 2.33158 hours remaining, 111.746094 MB of memory in use. ENERGY: 376200 670.2591 1820.0493 1975.0245 114.7676 -0.8847 -1070.2226 0.0000 0.0000 2645.7227 6154.7160 292.2274 3508.9933 6186.9748 294.2387 LDB: ============= START OF LOAD BALANCING ============== 1490.65 LDB: ============== END OF LOAD BALANCING =============== 1490.65 LDB: =============== DONE WITH MIGRATION ================ 1490.65 LDB: ============= START OF LOAD BALANCING ============== 1491.04 LDB: ============== END OF LOAD BALANCING =============== 1491.04 LDB: =============== DONE WITH MIGRATION ================ 1491.04 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: 1488.48, 0.00394971/step Wall: 1488.48, 0.00394971/step, 2.32989 hours remaining, 111.746094 MB of memory in use. ENERGY: 376400 621.0972 1852.3393 1978.1375 106.6466 -0.5372 -1101.5942 0.0000 0.0000 2714.5093 6170.5985 299.8251 3456.0892 6204.9926 295.4183 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: 1489.27, 0.00395105/step Wall: 1489.27, 0.00395105/step, 2.33046 hours remaining, 111.746094 MB of memory in use. ENERGY: 376600 634.8726 1842.4155 1990.2123 118.2229 -1.7453 -1102.9797 0.0000 0.0000 2695.3875 6176.3858 297.7131 3480.9983 6211.8803 297.7197 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: 1490.06, 0.00395113/step Wall: 1490.06, 0.00395113/step, 2.33029 hours remaining, 111.746094 MB of memory in use. ENERGY: 376800 689.5650 1824.3656 2002.7288 106.9178 -1.8987 -1095.6035 0.0000 0.0000 2667.4482 6193.5232 294.6271 3526.0750 6224.7089 296.6143 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: 1490.85, 0.00395056/step Wall: 1490.85, 0.00395056/step, 2.32973 hours remaining, 111.746094 MB of memory in use. ENERGY: 377000 657.3986 1797.6471 2019.7134 112.5131 -0.5440 -1064.2882 0.0000 0.0000 2646.5945 6169.0344 292.3237 3522.4399 6199.1048 294.8903 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: 1491.64, 0.00395169/step Wall: 1491.64, 0.00395169/step, 2.33018 hours remaining, 111.746094 MB of memory in use. ENERGY: 377200 649.3246 1807.2366 2009.7649 101.9290 -0.2563 -1061.3961 0.0000 0.0000 2679.3018 6185.9045 295.9363 3506.6027 6214.4465 295.1248 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: 1492.43, 0.0039439/step Wall: 1492.43, 0.0039439/step, 2.32537 hours remaining, 111.746094 MB of memory in use. ENERGY: 377400 612.9953 1781.9578 2017.9058 113.8781 -1.6145 -1074.4009 0.0000 0.0000 2686.9946 6137.7162 296.7860 3450.7216 6172.2384 294.5255 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: 1493.22, 0.00395046/step Wall: 1493.22, 0.00395046/step, 2.32901 hours remaining, 111.746094 MB of memory in use. ENERGY: 377600 646.9572 1798.2124 2014.8375 97.4728 -0.3318 -1121.0155 0.0000 0.0000 2671.9943 6108.1268 295.1292 3436.1325 6138.8139 294.2826 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: 1494.01, 0.00395059/step Wall: 1494.01, 0.00395059/step, 2.32888 hours remaining, 111.746094 MB of memory in use. ENERGY: 377800 641.6670 1770.9972 1986.6765 112.0481 0.4760 -1096.3576 0.0000 0.0000 2691.0572 6106.5645 297.2348 3415.5073 6142.9587 291.7174 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: 1494.8, 0.00395197/step Wall: 1494.8, 0.00395197/step, 2.32947 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 378000 645.2607 1797.8361 1974.0632 110.9981 -0.9312 -1078.2585 0.0000 0.0000 2699.6729 6148.6414 298.1864 3448.9684 6183.5501 292.8699 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: 1495.59, 0.0039516/step Wall: 1495.59, 0.0039516/step, 2.32903 hours remaining, 111.746094 MB of memory in use. ENERGY: 378200 646.7385 1797.9894 1987.6963 113.0731 -1.2121 -1084.5604 0.0000 0.0000 2658.3397 6118.0645 293.6210 3459.7248 6154.2146 293.9982 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: 1496.38, 0.00394413/step Wall: 1496.38, 0.00394413/step, 2.32441 hours remaining, 111.746094 MB of memory in use. ENERGY: 378400 667.0293 1813.8713 1986.8174 117.5210 -0.6047 -1075.8104 0.0000 0.0000 2652.8043 6161.6281 293.0096 3508.8238 6193.3184 294.8031 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: 1497.17, 0.00395155/step Wall: 1497.17, 0.00395155/step, 2.32856 hours remaining, 111.746094 MB of memory in use. ENERGY: 378600 655.1845 1835.8601 1990.5448 120.7661 -0.3937 -1069.3670 0.0000 0.0000 2654.0403 6186.6352 293.1461 3532.5949 6219.4010 295.5337 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: 1497.96, 0.00395117/step Wall: 1497.96, 0.00395117/step, 2.32812 hours remaining, 111.746094 MB of memory in use. ENERGY: 378800 700.3369 1814.9603 2004.0743 110.9065 -2.8275 -1106.4785 0.0000 0.0000 2681.0018 6201.9737 296.1241 3520.9719 6235.1820 297.1205 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: 1498.75, 0.00396375/step Wall: 1498.75, 0.00396375/step, 2.33531 hours remaining, 111.746094 MB of memory in use. ENERGY: 379000 690.0697 1819.7217 1974.4611 103.9627 -2.1604 -1088.0466 0.0000 0.0000 2716.0123 6214.0205 299.9911 3498.0081 6245.9180 296.0437 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: 1499.54, 0.00394392/step Wall: 1499.54, 0.00394392/step, 2.32341 hours remaining, 111.746094 MB of memory in use. ENERGY: 379200 651.7155 1765.1479 2008.7254 118.8121 -0.9087 -1044.2632 0.0000 0.0000 2708.7328 6207.9618 299.1871 3499.2290 6239.0077 297.8109 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: 1500.33, 0.00394994/step Wall: 1500.33, 0.00394994/step, 2.32674 hours remaining, 111.746094 MB of memory in use. ENERGY: 379400 649.8846 1879.4615 2020.1264 117.6772 -0.4058 -1053.2037 0.0000 0.0000 2674.7208 6288.2609 295.4304 3613.5401 6319.2118 298.9249 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: 1501.12, 0.00395231/step Wall: 1501.12, 0.00395231/step, 2.32791 hours remaining, 111.746094 MB of memory in use. ENERGY: 379600 644.7269 1872.0022 1993.3352 113.7066 -0.1411 -1054.6752 0.0000 0.0000 2743.7347 6312.6892 303.0531 3568.9545 6348.1368 303.7296 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: 1501.91, 0.00395311/step Wall: 1501.91, 0.00395311/step, 2.32816 hours remaining, 111.746094 MB of memory in use. ENERGY: 379800 676.2875 1848.6733 2011.0653 119.5437 -0.7122 -1086.5560 0.0000 0.0000 2693.3061 6261.6078 297.4832 3568.3017 6292.8500 300.8808 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: 1502.7, 0.00395155/step Wall: 1502.7, 0.00395155/step, 2.32703 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 380000 645.1882 1827.9533 2016.3279 108.9263 -1.9018 -1065.4163 0.0000 0.0000 2651.0584 6182.1360 292.8168 3531.0776 6215.2304 297.6558 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 380000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1503.53, 0.0041265/step Wall: 1503.53, 0.0041265/step, 2.42982 hours remaining, 111.746094 MB of memory in use. ENERGY: 380200 662.3428 1823.3170 2021.4208 102.9243 -1.4053 -1076.4610 0.0000 0.0000 2683.9048 6216.0434 296.4448 3532.1386 6250.2612 296.1521 LDB: ============= START OF LOAD BALANCING ============== 1506.49 LDB: ============== END OF LOAD BALANCING =============== 1506.49 LDB: =============== DONE WITH MIGRATION ================ 1506.49 LDB: ============= START OF LOAD BALANCING ============== 1506.88 LDB: ============== END OF LOAD BALANCING =============== 1506.88 LDB: =============== DONE WITH MIGRATION ================ 1506.88 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: 1504.32, 0.00395532/step Wall: 1504.32, 0.00395532/step, 2.3288 hours remaining, 111.746094 MB of memory in use. ENERGY: 380400 676.5735 1866.4404 2014.5923 104.9681 0.2060 -1080.7813 0.0000 0.0000 2660.2848 6242.2839 293.8359 3581.9991 6273.3651 299.7167 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: 1505.11, 0.00395227/step Wall: 1505.11, 0.00395227/step, 2.32679 hours remaining, 111.746094 MB of memory in use. ENERGY: 380600 680.3261 1885.0808 1971.3661 106.4663 -1.4751 -1087.6172 0.0000 0.0000 2687.6291 6241.7761 296.8561 3554.1470 6271.3435 297.7564 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: 1505.9, 0.00395065/step Wall: 1505.9, 0.00395065/step, 2.32562 hours remaining, 111.746094 MB of memory in use. ENERGY: 380800 660.5956 1857.2980 1998.2990 101.4056 -1.0786 -1081.8797 0.0000 0.0000 2753.7094 6288.3493 304.1549 3534.6399 6323.0213 301.2346 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: 1506.69, 0.00395142/step Wall: 1506.69, 0.00395142/step, 2.32585 hours remaining, 111.746094 MB of memory in use. ENERGY: 381000 643.1681 1833.0341 2000.2784 105.7060 -0.9854 -1045.4365 0.0000 0.0000 2718.4499 6254.2147 300.2604 3535.7648 6288.7889 297.9747 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: 1507.48, 0.00394601/step Wall: 1507.48, 0.00394601/step, 2.32245 hours remaining, 111.746094 MB of memory in use. ENERGY: 381200 618.9743 1829.4207 1992.4858 107.5672 0.7787 -1032.3087 0.0000 0.0000 2738.0364 6254.9543 302.4237 3516.9180 6287.3885 299.1510 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: 1508.27, 0.00395254/step Wall: 1508.27, 0.00395254/step, 2.32607 hours remaining, 111.746094 MB of memory in use. ENERGY: 381400 660.3555 1875.4535 2001.2053 89.4211 -0.6833 -1081.4595 0.0000 0.0000 2691.4626 6235.7553 297.2795 3544.2927 6267.5041 300.6555 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: 1509.06, 0.00395312/step Wall: 1509.06, 0.00395312/step, 2.32619 hours remaining, 111.746094 MB of memory in use. ENERGY: 381600 663.5739 1801.0032 1984.7294 99.4837 -1.0639 -1056.4541 0.0000 0.0000 2800.4179 6291.6902 309.3140 3491.2723 6323.3385 300.5291 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: 1509.85, 0.003952/step Wall: 1509.85, 0.003952/step, 2.32532 hours remaining, 111.746094 MB of memory in use. ENERGY: 381800 632.4309 1811.6840 2011.2187 112.9490 -1.4685 -1045.3586 0.0000 0.0000 2697.0095 6218.4648 297.8922 3521.4553 6252.9707 299.5307 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: 1510.64, 0.00395182/step Wall: 1510.64, 0.00395182/step, 2.32498 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 382000 655.4198 1869.1719 2018.7253 110.1583 -1.0600 -1079.4012 0.0000 0.0000 2641.5214 6214.5355 291.7634 3573.0141 6243.3389 298.8384 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: 1511.43, 0.00394576/step Wall: 1511.43, 0.00394576/step, 2.3212 hours remaining, 111.746094 MB of memory in use. ENERGY: 382200 661.6161 1835.7112 1993.5652 100.7490 -0.8046 -1051.7203 0.0000 0.0000 2670.9387 6210.0552 295.0126 3539.1165 6241.2850 296.7094 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: 1512.22, 0.00395274/step Wall: 1512.22, 0.00395274/step, 2.32509 hours remaining, 111.746094 MB of memory in use. ENERGY: 382400 638.3028 1838.3959 1986.6890 104.5263 -1.9886 -1066.3551 0.0000 0.0000 2658.1365 6157.7069 293.5986 3499.5704 6194.0138 295.9650 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: 1513.01, 0.00395226/step Wall: 1513.01, 0.00395226/step, 2.32459 hours remaining, 111.746094 MB of memory in use. ENERGY: 382600 652.1538 1884.8406 1977.9744 112.2566 -1.9629 -1066.3956 0.0000 0.0000 2671.7912 6230.6582 295.1068 3558.8670 6261.4646 297.2759 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: 1513.8, 0.00395162/step Wall: 1513.8, 0.00395162/step, 2.32399 hours remaining, 111.746094 MB of memory in use. ENERGY: 382800 664.6490 1904.4630 2000.6679 110.1025 -3.1431 -1114.4367 0.0000 0.0000 2705.8735 6268.1762 298.8713 3562.3027 6301.7414 299.3250 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: 1514.59, 0.00394626/step Wall: 1514.59, 0.00394626/step, 2.32062 hours remaining, 111.746094 MB of memory in use. ENERGY: 383000 651.8367 1839.1759 2002.9523 127.1414 -2.5902 -1078.9121 0.0000 0.0000 2665.4584 6205.0624 294.4073 3539.6040 6237.4639 300.1165 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: 1515.38, 0.00395154/step Wall: 1515.38, 0.00395154/step, 2.3235 hours remaining, 111.746094 MB of memory in use. ENERGY: 383200 661.7032 1875.4890 2004.8466 106.9034 -0.6737 -1091.6343 0.0000 0.0000 2709.8129 6266.4472 299.3064 3556.6343 6297.8713 299.7781 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: 1516.17, 0.00395196/step Wall: 1516.17, 0.00395196/step, 2.32353 hours remaining, 111.746094 MB of memory in use. ENERGY: 383400 677.6748 1927.2893 2001.8298 107.2676 -0.3037 -1099.6727 0.0000 0.0000 2692.4413 6306.5264 297.3876 3614.0851 6338.1082 303.0618 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: 1516.96, 0.00395356/step Wall: 1516.96, 0.00395356/step, 2.32425 hours remaining, 111.746094 MB of memory in use. ENERGY: 383600 651.5854 1874.2663 2018.7023 115.1336 -0.7146 -1039.3995 0.0000 0.0000 2673.5512 6293.1247 295.3012 3619.5735 6325.5316 301.9800 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: 1517.75, 0.00395381/step Wall: 1517.75, 0.00395381/step, 2.32418 hours remaining, 111.746094 MB of memory in use. ENERGY: 383800 677.9042 1865.8900 1963.9399 108.9355 -1.1669 -1100.8957 0.0000 0.0000 2744.2466 6258.8538 303.1097 3514.6071 6291.9174 299.0128 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: 1518.54, 0.00394593/step Wall: 1518.54, 0.00394593/step, 2.31933 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 384000 677.8773 1855.3042 2007.5577 105.2980 -1.2653 -1101.8371 0.0000 0.0000 2783.7696 6326.7045 307.4751 3542.9349 6359.7464 302.2491 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: 1519.33, 0.00395288/step Wall: 1519.33, 0.00395288/step, 2.3232 hours remaining, 111.746094 MB of memory in use. ENERGY: 384200 683.8134 1836.6036 2006.2903 111.4389 -2.1768 -1087.5022 0.0000 0.0000 2776.5080 6324.9752 306.6730 3548.4673 6360.3268 305.0862 LDB: ============= START OF LOAD BALANCING ============== 1522.29 LDB: ============== END OF LOAD BALANCING =============== 1522.29 LDB: =============== DONE WITH MIGRATION ================ 1522.29 LDB: ============= START OF LOAD BALANCING ============== 1522.69 LDB: ============== END OF LOAD BALANCING =============== 1522.69 LDB: =============== DONE WITH MIGRATION ================ 1522.69 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: 1520.12, 0.00395767/step Wall: 1520.12, 0.00395767/step, 2.32579 hours remaining, 111.746094 MB of memory in use. ENERGY: 384400 691.4436 1832.1466 2026.2366 108.8707 1.3084 -1087.5241 0.0000 0.0000 2765.8493 6338.3312 305.4958 3572.4819 6371.7988 302.9129 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: 1520.92, 0.0039519/step Wall: 1520.92, 0.0039519/step, 2.32218 hours remaining, 111.746094 MB of memory in use. ENERGY: 384600 660.6889 1795.1894 2022.1747 108.0841 -1.3826 -1040.0506 0.0000 0.0000 2774.1654 6318.8693 306.4143 3544.7039 6351.2325 301.9471 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: 1521.71, 0.00395331/step Wall: 1521.71, 0.00395331/step, 2.32279 hours remaining, 111.746094 MB of memory in use. ENERGY: 384800 667.7818 1848.8141 2047.8702 107.7971 -1.6104 -1056.9236 0.0000 0.0000 2722.4515 6336.1807 300.7024 3613.7292 6368.5032 303.0715 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: 1522.49, 0.00394464/step Wall: 1522.49, 0.00394464/step, 2.31747 hours remaining, 111.746094 MB of memory in use. ENERGY: 385000 680.2409 1837.2629 2040.7290 124.8709 -1.3104 -1061.4649 0.0000 0.0000 2705.6247 6325.9530 298.8438 3620.3284 6359.3551 303.7440 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: 1523.29, 0.00395337/step Wall: 1523.29, 0.00395337/step, 2.32238 hours remaining, 111.746094 MB of memory in use. ENERGY: 385200 695.7071 1833.4025 2033.9915 114.4593 -1.4052 -1088.0534 0.0000 0.0000 2753.6443 6341.7461 304.1477 3588.1018 6376.2700 304.1596 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: 1524.08, 0.00395231/step Wall: 1524.08, 0.00395231/step, 2.32155 hours remaining, 111.746094 MB of memory in use. ENERGY: 385400 651.8625 1801.3617 2049.3963 98.6102 -0.3037 -1071.2879 0.0000 0.0000 2749.1639 6278.8030 303.6528 3529.6391 6313.9348 303.0080 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: 1524.87, 0.00395293/step Wall: 1524.87, 0.00395293/step, 2.32168 hours remaining, 111.746094 MB of memory in use. ENERGY: 385600 665.3863 1873.0658 2011.9487 112.4753 -0.9917 -1091.7188 0.0000 0.0000 2719.2831 6289.4488 300.3524 3570.1657 6319.7547 300.8279 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: 1525.66, 0.00395339/step Wall: 1525.66, 0.00395339/step, 2.32174 hours remaining, 111.746094 MB of memory in use. ENERGY: 385800 635.2734 1874.3738 2021.9517 101.6461 -2.6645 -1084.7960 0.0000 0.0000 2730.6300 6276.4146 301.6057 3545.7846 6307.5139 299.5214 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: 1526.45, 0.00394546/step Wall: 1526.45, 0.00394547/step, 2.31686 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 386000 681.9967 1864.1966 2011.8606 97.8359 -1.2901 -1084.5050 0.0000 0.0000 2734.8655 6304.9602 302.0735 3570.0946 6338.7635 300.4440 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: 1527.24, 0.00395194/step Wall: 1527.24, 0.00395194/step, 2.32045 hours remaining, 111.746094 MB of memory in use. ENERGY: 386200 638.4544 1844.2864 2039.0746 119.4539 -1.0986 -1076.3658 0.0000 0.0000 2691.1678 6254.9727 297.2470 3563.8049 6285.5453 300.6137 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: 1528.03, 0.00395/step Wall: 1528.03, 0.00395/step, 2.31909 hours remaining, 111.746094 MB of memory in use. ENERGY: 386400 650.6898 1848.4675 2017.4224 106.0632 -1.8764 -1061.7694 0.0000 0.0000 2714.0545 6273.0516 299.7749 3558.9971 6305.6839 299.4122 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: 1528.82, 0.00395161/step Wall: 1528.82, 0.00395161/step, 2.31981 hours remaining, 111.746094 MB of memory in use. ENERGY: 386600 662.9672 1877.8240 2021.7370 110.2329 -2.0858 -1062.9908 0.0000 0.0000 2704.5127 6312.1972 298.7210 3607.6844 6341.6844 301.7587 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: 1529.61, 0.00394361/step Wall: 1529.61, 0.00394361/step, 2.3149 hours remaining, 111.746094 MB of memory in use. ENERGY: 386800 665.8355 1831.3849 2044.6960 129.5771 -1.3053 -1063.8246 0.0000 0.0000 2705.6625 6312.0260 298.8480 3606.3636 6344.2242 301.9490 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: 1530.4, 0.0039519/step Wall: 1530.4, 0.0039519/step, 2.31954 hours remaining, 111.746094 MB of memory in use. ENERGY: 387000 655.8044 1844.8543 2032.0334 108.2252 1.0355 -1031.0150 0.0000 0.0000 2732.5317 6343.4695 301.8157 3610.9378 6373.5739 303.9909 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: 1531.19, 0.00395334/step Wall: 1531.19, 0.00395334/step, 2.32017 hours remaining, 111.746094 MB of memory in use. ENERGY: 387200 716.1490 1817.5196 2041.6383 109.9903 -1.0942 -1069.3772 0.0000 0.0000 2700.6621 6315.4880 298.2957 3614.8259 6347.7904 303.4016 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: 1531.98, 0.00395223/step Wall: 1531.98, 0.00395223/step, 2.3193 hours remaining, 111.746094 MB of memory in use. ENERGY: 387400 639.6736 1885.2932 2005.2039 97.7125 -1.9292 -1055.8186 0.0000 0.0000 2744.6864 6314.8220 303.1583 3570.1356 6346.3963 301.7328 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: 1532.77, 0.0039527/step Wall: 1532.77, 0.0039527/step, 2.31935 hours remaining, 111.746094 MB of memory in use. ENERGY: 387600 656.0482 1836.3545 2018.9541 100.8992 -0.7953 -1091.0208 0.0000 0.0000 2718.4590 6238.8989 300.2614 3520.4399 6271.7057 300.0430 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: 1533.56, 0.00394565/step Wall: 1533.56, 0.00394565/step, 2.315 hours remaining, 111.746094 MB of memory in use. ENERGY: 387800 660.6978 1841.3510 1981.3288 98.2112 -0.7949 -1092.5897 0.0000 0.0000 2712.8293 6201.0334 299.6396 3488.2041 6236.0968 297.6879 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: 1534.35, 0.00395167/step Wall: 1534.35, 0.00395167/step, 2.31832 hours remaining, 111.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 388000 622.3731 1849.1417 2006.4628 102.2286 -1.6599 -1077.3915 0.0000 0.0000 2710.9271 6212.0819 299.4294 3501.1548 6244.8915 298.7867 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: 1535.14, 0.00395356/step Wall: 1535.14, 0.00395356/step, 2.3192 hours remaining, 111.746094 MB of memory in use. ENERGY: 388200 632.9282 1846.1951 1998.3918 103.0934 -1.6001 -1070.1749 0.0000 0.0000 2707.5712 6216.4046 299.0588 3508.8335 6251.2179 296.1827 LDB: ============= START OF LOAD BALANCING ============== 1538.1 LDB: ============== END OF LOAD BALANCING =============== 1538.1 LDB: =============== DONE WITH MIGRATION ================ 1538.1 LDB: ============= START OF LOAD BALANCING ============== 1538.49 LDB: ============== END OF LOAD BALANCING =============== 1538.49 LDB: =============== DONE WITH MIGRATION ================ 1538.49 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: 1535.93, 0.00395673/step Wall: 1535.93, 0.00395673/step, 2.32084 hours remaining, 111.746094 MB of memory in use. ENERGY: 388400 651.9742 1820.1250 1977.0011 102.3712 -0.9993 -1074.1120 0.0000 0.0000 2726.5719 6202.9321 301.1575 3476.3602 6238.3755 296.1030 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: 1536.72, 0.0039515/step Wall: 1536.72, 0.00395149/step, 2.31755 hours remaining, 111.746094 MB of memory in use. ENERGY: 388600 631.6633 1888.4464 1980.3295 118.0755 -1.2694 -1115.0804 0.0000 0.0000 2676.6087 6178.7736 295.6389 3502.1649 6210.9177 296.5627 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: 1537.51, 0.00394502/step Wall: 1537.51, 0.00394503/step, 2.31354 hours remaining, 111.746094 MB of memory in use. ENERGY: 388800 617.5171 1800.7817 1996.8345 121.8936 -0.4959 -1052.4470 0.0000 0.0000 2655.7728 6139.8568 293.3375 3484.0840 6172.0839 295.6577 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: 1538.3, 0.00395175/step Wall: 1538.3, 0.00395175/step, 2.31726 hours remaining, 111.746094 MB of memory in use. ENERGY: 389000 649.7567 1776.9085 1978.2953 102.2789 -0.5543 -1054.5086 0.0000 0.0000 2691.3647 6143.5412 297.2687 3452.1765 6177.4912 294.7501 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: 1539.09, 0.00395626/step Wall: 1539.09, 0.00395626/step, 2.31969 hours remaining, 111.746094 MB of memory in use. ENERGY: 389200 663.3420 1811.2321 2004.6378 113.9716 -0.6235 -1096.4361 0.0000 0.0000 2630.8293 6126.9532 290.5824 3496.1239 6157.4200 292.9686 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: 1539.88, 0.00395101/step Wall: 1539.88, 0.00395101/step, 2.31639 hours remaining, 111.746094 MB of memory in use. ENERGY: 389400 617.7995 1813.8965 1991.5701 104.3835 -2.1276 -1068.6205 0.0000 0.0000 2691.8204 6148.7220 297.3191 3456.9015 6183.2661 292.4332 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: 1540.67, 0.00395651/step Wall: 1540.67, 0.00395651/step, 2.31939 hours remaining, 111.746094 MB of memory in use. ENERGY: 389600 667.1911 1776.4291 1966.2484 108.4085 0.0358 -1020.8102 0.0000 0.0000 2703.6326 6201.1352 298.6238 3497.5026 6236.5045 296.4129 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: 1541.46, 0.00394922/step Wall: 1541.46, 0.00394922/step, 2.3149 hours remaining, 111.746094 MB of memory in use. ENERGY: 389800 650.8781 1835.5988 1967.1784 106.3719 -1.5266 -1081.9776 0.0000 0.0000 2671.1339 6147.6569 295.0342 3476.5230 6181.5086 294.4872 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: 1542.25, 0.00395569/step Wall: 1542.25, 0.00395569/step, 2.31848 hours remaining, 111.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 390000 617.1922 1825.6863 1992.7211 105.9183 0.3598 -1044.0473 0.0000 0.0000 2700.3582 6198.1886 298.2621 3497.8304 6229.7990 294.4865 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 390000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1543.08, 0.00413958/step Wall: 1543.08, 0.00413958/step, 2.42602 hours remaining, 111.843750 MB of memory in use. ENERGY: 390200 645.2654 1871.1142 1975.1364 99.0595 -1.7029 -1060.4266 0.0000 0.0000 2714.1032 6242.5492 299.7803 3528.4460 6274.5995 297.0592 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: 1543.87, 0.00395184/step Wall: 1543.87, 0.00395184/step, 2.31578 hours remaining, 111.843750 MB of memory in use. ENERGY: 390400 659.7734 1810.2824 1962.3964 105.4639 0.2785 -1057.7852 0.0000 0.0000 2707.2873 6187.6966 299.0274 3480.4093 6221.3231 295.1849 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: 1544.66, 0.00394911/step Wall: 1544.66, 0.00394911/step, 2.31396 hours remaining, 111.843750 MB of memory in use. ENERGY: 390600 621.1301 1739.5494 2021.8735 113.3713 0.1987 -1025.9316 0.0000 0.0000 2681.0628 6151.2542 296.1309 3470.1913 6184.6832 296.0879 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: 1545.45, 0.00394542/step Wall: 1545.45, 0.00394542/step, 2.31157 hours remaining, 111.843750 MB of memory in use. ENERGY: 390800 629.4311 1851.7989 1977.6365 109.6318 0.5850 -1058.8541 0.0000 0.0000 2645.8084 6156.0376 292.2369 3510.2292 6189.0152 294.3716 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: 1546.24, 0.00394992/step Wall: 1546.24, 0.00394992/step, 2.314 hours remaining, 111.843750 MB of memory in use. ENERGY: 391000 631.0736 1802.2957 1972.8932 111.3538 -0.8516 -1051.6368 0.0000 0.0000 2675.4435 6140.5715 295.5102 3465.1279 6172.2997 292.6013 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: 1547.03, 0.00395153/step Wall: 1547.03, 0.00395153/step, 2.31472 hours remaining, 111.843750 MB of memory in use. ENERGY: 391200 624.9286 1845.9912 2002.3200 107.8448 -1.3131 -1049.5703 0.0000 0.0000 2653.9436 6184.1450 293.1355 3530.2013 6217.2143 294.0874 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: 1547.82, 0.0039505/step Wall: 1547.82, 0.0039505/step, 2.3139 hours remaining, 111.843750 MB of memory in use. ENERGY: 391400 649.9938 1873.4074 1987.6796 113.0201 -1.5233 -1079.7781 0.0000 0.0000 2658.1479 6200.9472 293.5998 3542.7993 6232.2464 297.3316 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: 1548.61, 0.00394432/step Wall: 1548.61, 0.00394432/step, 2.31006 hours remaining, 111.843750 MB of memory in use. ENERGY: 391600 659.8277 1774.3563 1993.8129 104.4229 -0.5278 -1065.0349 0.0000 0.0000 2704.6136 6171.4708 298.7321 3466.8572 6206.2502 294.1228 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: 1549.4, 0.00395195/step Wall: 1549.4, 0.00395195/step, 2.3143 hours remaining, 111.843750 MB of memory in use. ENERGY: 391800 675.4916 1820.9653 2007.3176 114.8919 -1.3005 -1060.9068 0.0000 0.0000 2637.0646 6193.5238 291.2711 3556.4592 6223.3682 296.4244 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: 1550.19, 0.00395186/step Wall: 1550.19, 0.00395186/step, 2.31403 hours remaining, 111.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 392000 661.2753 1849.7620 2018.4582 102.3748 0.0224 -1017.0038 0.0000 0.0000 2652.2593 6267.1481 292.9494 3614.8888 6296.2550 297.7658 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: 1550.98, 0.00395244/step Wall: 1550.98, 0.00395243/step, 2.31415 hours remaining, 111.843750 MB of memory in use. ENERGY: 392200 674.8090 1830.1728 2051.4346 97.1901 -1.4472 -1087.3097 0.0000 0.0000 2736.6084 6301.4581 302.2660 3564.8496 6335.5889 300.2113 LDB: ============= START OF LOAD BALANCING ============== 1553.94 LDB: ============== END OF LOAD BALANCING =============== 1553.94 LDB: =============== DONE WITH MIGRATION ================ 1553.94 LDB: ============= START OF LOAD BALANCING ============== 1554.34 LDB: ============== END OF LOAD BALANCING =============== 1554.34 LDB: =============== DONE WITH MIGRATION ================ 1554.34 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: 1551.77, 0.00395567/step Wall: 1551.77, 0.00395568/step, 2.31583 hours remaining, 111.843750 MB of memory in use. ENERGY: 392400 621.9909 1829.9680 2010.4877 112.6907 -0.7909 -1058.7345 0.0000 0.0000 2792.5544 6308.1662 308.4454 3515.6119 6346.0789 300.4008 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: 1552.56, 0.00394306/step Wall: 1552.56, 0.00394306/step, 2.30822 hours remaining, 111.843750 MB of memory in use. ENERGY: 392600 676.0752 1857.6702 2019.7663 117.3760 -0.2836 -1070.8553 0.0000 0.0000 2696.7825 6296.5313 297.8671 3599.7488 6327.5934 302.4586 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: 1553.35, 0.00395059/step Wall: 1553.35, 0.00395059/step, 2.31241 hours remaining, 111.843750 MB of memory in use. ENERGY: 392800 638.7998 1862.6483 2048.6334 107.7553 0.8886 -1064.3836 0.0000 0.0000 2689.9033 6284.2451 297.1073 3594.3418 6318.5056 300.6409 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: 1554.14, 0.00395095/step Wall: 1554.14, 0.00395095/step, 2.3124 hours remaining, 111.843750 MB of memory in use. ENERGY: 393000 674.7383 1887.9014 2016.7350 108.6626 -0.0248 -1099.6174 0.0000 0.0000 2713.6722 6302.0673 299.7327 3588.3950 6333.0985 300.8000 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: 1554.93, 0.00395059/step Wall: 1554.93, 0.00395059/step, 2.31197 hours remaining, 111.843750 MB of memory in use. ENERGY: 393200 610.3044 1875.4137 2003.5660 116.0793 -0.6600 -1019.3987 0.0000 0.0000 2712.7921 6298.0968 299.6354 3585.3048 6329.2373 300.5434 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: 1555.72, 0.00395105/step Wall: 1555.72, 0.00395105/step, 2.31202 hours remaining, 111.843750 MB of memory in use. ENERGY: 393400 643.3671 1850.6154 2014.4330 110.0750 -0.5524 -1057.9862 0.0000 0.0000 2730.3601 6290.3121 301.5759 3559.9519 6326.6793 301.7399 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: 1556.51, 0.00394352/step Wall: 1556.51, 0.00394352/step, 2.3074 hours remaining, 111.843750 MB of memory in use. ENERGY: 393600 660.5484 1813.3521 2066.3418 102.3705 0.2873 -1104.8318 0.0000 0.0000 2730.5674 6268.6357 301.5988 3538.0682 6304.0759 300.7539 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: 1557.3, 0.00395205/step Wall: 1557.3, 0.00395205/step, 2.31217 hours remaining, 111.843750 MB of memory in use. ENERGY: 393800 674.5050 1837.8662 2015.9143 106.7082 0.0242 -1102.9457 0.0000 0.0000 2738.6141 6270.6863 302.4876 3532.0722 6306.5428 299.7179 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: 1558.09, 0.00395283/step Wall: 1558.09, 0.00395282/step, 2.3124 hours remaining, 111.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 394000 647.3463 1891.8693 1997.5279 119.2905 0.6631 -1069.8907 0.0000 0.0000 2765.1163 6351.9226 305.4148 3586.8063 6385.9579 302.5686 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: 1558.88, 0.00395167/step Wall: 1558.88, 0.00395167/step, 2.31151 hours remaining, 111.843750 MB of memory in use. ENERGY: 394200 656.5712 1857.2462 2021.8899 112.7040 -1.6370 -1083.9740 0.0000 0.0000 2786.2798 6349.0802 307.7524 3562.8003 6383.7526 305.4281 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: 1559.67, 0.00394608/step Wall: 1559.67, 0.00394608/step, 2.30802 hours remaining, 111.843750 MB of memory in use. ENERGY: 394400 674.4107 1874.3362 2019.5672 115.0510 -1.0728 -1043.4367 0.0000 0.0000 2751.6922 6390.5478 303.9321 3638.8556 6425.1633 305.3346 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: 1560.46, 0.00395202/step Wall: 1560.46, 0.00395202/step, 2.31127 hours remaining, 111.843750 MB of memory in use. ENERGY: 394600 684.3209 1841.4607 1980.3988 111.6499 -1.9866 -1100.2188 0.0000 0.0000 2767.7824 6283.4073 305.7093 3515.6249 6316.6480 303.9504 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: 1561.25, 0.00395241/step Wall: 1561.25, 0.00395241/step, 2.31128 hours remaining, 111.843750 MB of memory in use. ENERGY: 394800 683.9924 1797.5642 2011.4570 113.6177 0.2312 -1051.2307 0.0000 0.0000 2711.6174 6267.2492 299.5057 3555.6318 6299.2513 302.9975 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: 1562.04, 0.00395132/step Wall: 1562.04, 0.00395132/step, 2.31043 hours remaining, 111.843750 MB of memory in use. ENERGY: 395000 656.7457 1840.5989 2050.6199 107.0991 0.5919 -1114.5744 0.0000 0.0000 2734.9587 6276.0400 302.0838 3541.0813 6311.3694 301.1960 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: 1562.83, 0.00395025/step Wall: 1562.83, 0.00395025/step, 2.30958 hours remaining, 111.843750 MB of memory in use. ENERGY: 395200 643.0896 1899.8085 2025.5233 112.9407 0.5163 -1095.5093 0.0000 0.0000 2697.6947 6284.0638 297.9679 3586.3691 6315.1014 301.9814 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: 1563.62, 0.00394503/step Wall: 1563.62, 0.00394503/step, 2.30631 hours remaining, 111.843750 MB of memory in use. ENERGY: 395400 685.3345 1905.3648 2008.2947 112.9184 0.2287 -1113.8295 0.0000 0.0000 2710.1902 6308.5018 299.3481 3598.3116 6340.6176 302.3932 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: 1564.41, 0.00395182/step Wall: 1564.41, 0.00395182/step, 2.31006 hours remaining, 111.843750 MB of memory in use. ENERGY: 395600 650.4247 1817.4125 2018.9372 120.1963 0.2676 -1079.3303 0.0000 0.0000 2757.0962 6285.0043 304.5290 3527.9081 6317.8068 300.9796 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: 1565.2, 0.00395301/step Wall: 1565.2, 0.00395301/step, 2.31053 hours remaining, 111.843750 MB of memory in use. ENERGY: 395800 673.1396 1853.0153 1997.7190 95.4082 0.9425 -1060.1927 0.0000 0.0000 2725.5134 6285.5452 301.0406 3560.0318 6317.3937 300.7560 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: 1565.99, 0.00394965/step Wall: 1565.99, 0.00394965/step, 2.30835 hours remaining, 111.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 396000 646.7600 1830.4597 2014.8915 113.9836 -0.2373 -1070.6774 0.0000 0.0000 2739.6776 6274.8578 302.6050 3535.1802 6312.2880 301.1130 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: 1566.78, 0.00395151/step Wall: 1566.78, 0.00395151/step, 2.30922 hours remaining, 111.843750 MB of memory in use. ENERGY: 396200 662.4055 1859.4867 2014.3763 111.4765 -0.0600 -1099.2920 0.0000 0.0000 2736.4170 6284.8101 302.2449 3548.3931 6317.5905 300.1385 LDB: ============= START OF LOAD BALANCING ============== 1569.74 LDB: ============== END OF LOAD BALANCING =============== 1569.74 LDB: =============== DONE WITH MIGRATION ================ 1569.74 LDB: ============= START OF LOAD BALANCING ============== 1570.14 LDB: ============== END OF LOAD BALANCING =============== 1570.14 LDB: =============== DONE WITH MIGRATION ================ 1570.14 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: 1567.57, 0.00395028/step Wall: 1567.57, 0.00395028/step, 2.30828 hours remaining, 111.843750 MB of memory in use. ENERGY: 396400 672.0909 1849.1957 2002.7978 115.6717 0.6114 -1097.4942 0.0000 0.0000 2758.3928 6301.2660 304.6722 3542.8732 6335.4141 301.4692 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: 1568.36, 0.00395154/step Wall: 1568.36, 0.00395154/step, 2.30879 hours remaining, 111.843750 MB of memory in use. ENERGY: 396600 679.7805 1801.3329 2005.7054 113.1592 0.4673 -1054.8639 0.0000 0.0000 2730.6887 6276.2700 301.6122 3545.5813 6310.3526 302.2307 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: 1569.15, 0.00395153/step Wall: 1569.15, 0.00395152/step, 2.30857 hours remaining, 111.843750 MB of memory in use. ENERGY: 396800 639.8905 1846.2578 2003.8273 104.8425 -0.0898 -1055.7014 0.0000 0.0000 2728.6037 6267.6306 301.3819 3539.0269 6302.7705 300.0368 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: 1569.94, 0.00395039/step Wall: 1569.94, 0.0039504/step, 2.30769 hours remaining, 111.843750 MB of memory in use. ENERGY: 397000 659.6594 1854.3981 2020.8760 111.6546 -0.0734 -1090.4766 0.0000 0.0000 2698.4795 6254.5177 298.0546 3556.0382 6287.1284 300.3140 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: 1570.73, 0.00395215/step Wall: 1570.73, 0.00395215/step, 2.30849 hours remaining, 111.843750 MB of memory in use. ENERGY: 397200 699.0482 1836.7561 1975.3649 106.7546 1.2761 -1098.1530 0.0000 0.0000 2708.1466 6229.1936 299.1223 3521.0470 6261.1230 298.7234 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: 1571.52, 0.00394766/step Wall: 1571.52, 0.00394766/step, 2.30566 hours remaining, 111.843750 MB of memory in use. ENERGY: 397400 644.1855 1812.6732 2026.4660 112.9903 0.8986 -1087.4331 0.0000 0.0000 2694.0244 6203.8049 297.5625 3509.7805 6235.8254 297.5447 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: 1572.31, 0.00395277/step Wall: 1572.31, 0.00395277/step, 2.30842 hours remaining, 111.843750 MB of memory in use. ENERGY: 397600 645.2065 1781.5237 1998.7039 107.2942 2.0254 -1018.3465 0.0000 0.0000 2681.6726 6198.0796 296.1982 3516.4071 6232.0150 297.7833 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: 1573.1, 0.00395284/step Wall: 1573.1, 0.00395284/step, 2.30824 hours remaining, 111.843750 MB of memory in use. ENERGY: 397800 612.9683 1855.1002 1991.1750 99.1777 3.7956 -1083.2612 0.0000 0.0000 2696.8155 6175.7710 297.8708 3478.9555 6205.5580 295.7198 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: 1573.89, 0.0039526/step Wall: 1573.89, 0.0039526/step, 2.30788 hours remaining, 111.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 398000 638.4739 1832.3009 1984.2143 109.2761 1.8584 -1069.6413 0.0000 0.0000 2673.5099 6169.9923 295.2966 3496.4824 6200.3416 296.6686 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: 1574.68, 0.00394546/step Wall: 1574.68, 0.00394546/step, 2.30349 hours remaining, 111.843750 MB of memory in use. ENERGY: 398200 678.1142 1858.5029 1990.2544 112.7167 3.0017 -1094.1652 0.0000 0.0000 2703.8900 6252.3146 298.6522 3548.4246 6284.7986 297.5998 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: 1575.47, 0.00395105/step Wall: 1575.47, 0.00395105/step, 2.30654 hours remaining, 111.843750 MB of memory in use. ENERGY: 398400 678.9742 1861.3022 1991.1805 108.7999 2.3747 -1120.6507 0.0000 0.0000 2719.1026 6241.0834 300.3325 3521.9809 6273.7130 299.9550 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: 1576.26, 0.00395205/step Wall: 1576.26, 0.00395205/step, 2.3069 hours remaining, 111.843750 MB of memory in use. ENERGY: 398600 645.9952 1843.1739 2014.0549 111.4002 -0.3653 -1105.1280 0.0000 0.0000 2742.0853 6251.2162 302.8710 3509.1309 6286.1340 299.4432 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: 1577.05, 0.00395382/step Wall: 1577.05, 0.00395382/step, 2.30771 hours remaining, 111.843750 MB of memory in use. ENERGY: 398800 647.8786 1856.1906 2011.6473 112.4987 1.8103 -1076.9342 0.0000 0.0000 2655.5582 6208.6495 293.3138 3553.0913 6240.1959 299.1276 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: 1577.84, 0.0039499/step Wall: 1577.84, 0.0039499/step, 2.30521 hours remaining, 111.843750 MB of memory in use. ENERGY: 399000 619.9725 1830.4946 2007.9467 113.0984 0.6730 -1061.5025 0.0000 0.0000 2740.0524 6250.7352 302.6464 3510.6827 6285.2459 298.2421 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: 1578.63, 0.00394389/step Wall: 1578.63, 0.00394389/step, 2.30148 hours remaining, 111.843750 MB of memory in use. ENERGY: 399200 623.9892 1820.4720 1992.5460 118.5532 0.8946 -1035.3589 0.0000 0.0000 2756.0768 6277.1730 304.4164 3521.0962 6312.0172 300.3567 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: 1579.43, 0.00396474/step Wall: 1579.43, 0.00396474/step, 2.31343 hours remaining, 111.843750 MB of memory in use. ENERGY: 399400 701.5792 1848.0572 1985.7488 104.7366 -0.1406 -1093.3549 0.0000 0.0000 2689.8552 6236.4816 297.1020 3546.6264 6270.1703 299.1226 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: 1580.22, 0.00395226/step Wall: 1580.22, 0.00395226/step, 2.30592 hours remaining, 111.843750 MB of memory in use. ENERGY: 399600 689.6417 1887.3748 2004.0238 120.0222 -0.8726 -1074.5081 0.0000 0.0000 2695.2482 6320.9300 297.6977 3625.6818 6352.9006 300.6867 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: 1581.01, 0.00395159/step Wall: 1581.01, 0.00395159/step, 2.30532 hours remaining, 111.843750 MB of memory in use. ENERGY: 399800 662.1625 1817.1050 1959.8089 98.3712 0.9487 -1065.3888 0.0000 0.0000 2807.7613 6280.7686 310.1251 3473.0074 6317.3574 303.6868 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: 1581.8, 0.00395295/step Wall: 1581.8, 0.00395295/step, 2.30588 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 400000 633.8392 1867.8479 2004.6356 98.4774 1.5558 -1048.4502 0.0000 0.0000 2685.6933 6243.5989 296.6423 3557.9056 6273.8292 298.4378 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1582.62, 0.00410697/step Wall: 1582.62, 0.00410697/step, 2.39551 hours remaining, 111.902344 MB of memory in use. ENERGY: 400200 680.2787 1868.7484 1995.3767 104.4875 0.1906 -1068.9266 0.0000 0.0000 2669.6052 6249.7605 294.8653 3580.1553 6279.9735 298.5092 LDB: ============= START OF LOAD BALANCING ============== 1585.58 LDB: ============== END OF LOAD BALANCING =============== 1585.58 LDB: =============== DONE WITH MIGRATION ================ 1585.58 LDB: ============= START OF LOAD BALANCING ============== 1585.97 LDB: ============== END OF LOAD BALANCING =============== 1585.97 LDB: =============== DONE WITH MIGRATION ================ 1585.97 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: 1583.41, 0.00395438/step Wall: 1583.41, 0.00395438/step, 2.30628 hours remaining, 111.902344 MB of memory in use. ENERGY: 400400 678.3614 1828.8699 1975.6396 109.8955 -0.1160 -1039.9828 0.0000 0.0000 2733.7250 6286.3925 301.9475 3552.6675 6316.6495 299.8415 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: 1584.2, 0.00394806/step Wall: 1584.2, 0.00394806/step, 2.30238 hours remaining, 111.902344 MB of memory in use. ENERGY: 400600 657.4499 1830.9382 1983.0028 99.4193 -1.7328 -1057.0374 0.0000 0.0000 2763.5535 6275.5935 305.2422 3512.0400 6309.1049 300.6715 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: 1584.99, 0.0039473/step Wall: 1584.99, 0.0039473/step, 2.30171 hours remaining, 111.902344 MB of memory in use. ENERGY: 400800 648.1290 1880.6254 2002.2833 104.9265 -0.0486 -1104.5079 0.0000 0.0000 2746.4064 6277.8141 303.3482 3531.4077 6309.7395 302.4618 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: 1585.78, 0.00394879/step Wall: 1585.78, 0.00394879/step, 2.30237 hours remaining, 111.902344 MB of memory in use. ENERGY: 401000 665.9627 1788.2426 1988.7492 110.0437 0.1540 -1079.6442 0.0000 0.0000 2707.2684 6180.7764 299.0253 3473.5080 6214.0353 300.0628 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: 1586.57, 0.00394415/step Wall: 1586.57, 0.00394415/step, 2.29944 hours remaining, 111.902344 MB of memory in use. ENERGY: 401200 622.6175 1801.4197 1974.1887 107.1448 0.9882 -1066.3320 0.0000 0.0000 2751.8999 6191.9268 303.9550 3440.0269 6227.7317 296.2945 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: 1587.36, 0.00394819/step Wall: 1587.36, 0.00394819/step, 2.30157 hours remaining, 111.902344 MB of memory in use. ENERGY: 401400 660.9327 1797.9904 2005.7201 101.1973 0.1073 -1070.8726 0.0000 0.0000 2721.8536 6216.9288 300.6363 3495.0752 6249.8099 297.2936 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: 1588.15, 0.00394862/step Wall: 1588.15, 0.00394862/step, 2.30161 hours remaining, 111.902344 MB of memory in use. ENERGY: 401600 664.5764 1858.9470 1987.3081 107.2205 -1.1273 -1067.7629 0.0000 0.0000 2657.9004 6207.0622 293.5725 3549.1618 6237.3198 296.2622 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: 1588.94, 0.00394817/step Wall: 1588.94, 0.00394817/step, 2.30113 hours remaining, 111.902344 MB of memory in use. ENERGY: 401800 678.5995 1824.8471 2007.3581 106.6638 -0.8703 -1077.5322 0.0000 0.0000 2717.1201 6256.1862 300.1135 3539.0661 6286.9393 298.6316 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: 1589.73, 0.00394454/step Wall: 1589.73, 0.00394454/step, 2.29879 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 402000 661.7012 1848.3428 1994.2015 111.0665 0.3840 -1070.1270 0.0000 0.0000 2651.1061 6196.6750 292.8221 3545.5689 6228.9743 296.9777 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: 1590.52, 0.00395052/step Wall: 1590.52, 0.00395052/step, 2.30206 hours remaining, 111.902344 MB of memory in use. ENERGY: 402200 660.3648 1832.6641 1993.1260 101.8258 2.0350 -1073.1270 0.0000 0.0000 2665.2497 6182.1384 294.3843 3516.8887 6214.0364 296.5196 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: 1591.31, 0.00395194/step Wall: 1591.31, 0.00395194/step, 2.30266 hours remaining, 111.902344 MB of memory in use. ENERGY: 402400 666.9972 1833.1968 1992.1532 105.1301 1.2811 -1099.1456 0.0000 0.0000 2703.4980 6203.1109 298.6089 3499.6129 6236.4394 297.8473 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: 1592.1, 0.00395122/step Wall: 1592.1, 0.00395122/step, 2.30202 hours remaining, 111.902344 MB of memory in use. ENERGY: 402600 600.2660 1835.4050 2000.5317 103.2868 0.9895 -1035.3889 0.0000 0.0000 2664.4951 6169.5851 294.3009 3505.0901 6204.4401 296.6619 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: 1592.89, 0.00394879/step Wall: 1592.89, 0.00394879/step, 2.30039 hours remaining, 111.902344 MB of memory in use. ENERGY: 402800 668.3975 1790.6756 1986.5223 110.7709 1.2134 -1047.4552 0.0000 0.0000 2672.4514 6182.5759 295.1797 3510.1245 6216.9482 295.0002 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: 1593.67, 0.003944/step Wall: 1593.67, 0.003944/step, 2.29738 hours remaining, 111.902344 MB of memory in use. ENERGY: 403000 674.7650 1825.8867 1985.1210 105.2858 0.0734 -1122.3494 0.0000 0.0000 2725.7889 6194.5713 301.0710 3468.7825 6230.9961 295.4342 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: 1594.46, 0.00395043/step Wall: 1594.46, 0.00395043/step, 2.30091 hours remaining, 111.902344 MB of memory in use. ENERGY: 403200 689.7185 1784.8076 2006.7507 102.7724 1.3071 -1058.1109 0.0000 0.0000 2697.4090 6224.6544 297.9363 3527.2454 6255.1990 297.5049 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: 1595.25, 0.00394966/step Wall: 1595.25, 0.00394966/step, 2.30024 hours remaining, 111.902344 MB of memory in use. ENERGY: 403400 620.0185 1831.1517 1969.4431 106.1692 -0.5492 -1038.7249 0.0000 0.0000 2757.8424 6245.3509 304.6114 3487.5085 6282.1690 297.3821 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: 1596.04, 0.0039491/step Wall: 1596.04, 0.0039491/step, 2.29969 hours remaining, 111.902344 MB of memory in use. ENERGY: 403600 665.0732 1844.6149 2006.6130 105.9773 0.3697 -1085.2680 0.0000 0.0000 2738.0273 6275.4074 302.4227 3537.3802 6309.9881 300.3520 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: 1596.83, 0.00394762/step Wall: 1596.83, 0.00394762/step, 2.29861 hours remaining, 111.902344 MB of memory in use. ENERGY: 403800 676.1565 1836.1125 2000.8967 105.7520 0.7771 -1079.0979 0.0000 0.0000 2748.0195 6288.6164 303.5264 3540.5969 6326.2988 302.5325 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: 1597.62, 0.00394431/step Wall: 1597.62, 0.00394431/step, 2.29647 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 404000 661.5726 1846.1900 2003.2331 101.6700 1.0275 -1068.2155 0.0000 0.0000 2711.7955 6257.2732 299.5254 3545.4777 6290.1905 300.2644 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: 1598.41, 0.00394967/step Wall: 1598.41, 0.00394967/step, 2.29937 hours remaining, 111.902344 MB of memory in use. ENERGY: 404200 632.0549 1814.8734 2005.6246 108.1568 0.3877 -1032.2978 0.0000 0.0000 2710.3693 6239.1690 299.3678 3528.7996 6274.1920 299.3066 LDB: ============= START OF LOAD BALANCING ============== 1601.37 LDB: ============== END OF LOAD BALANCING =============== 1601.37 LDB: =============== DONE WITH MIGRATION ================ 1601.37 LDB: ============= START OF LOAD BALANCING ============== 1601.77 LDB: ============== END OF LOAD BALANCING =============== 1601.77 LDB: =============== DONE WITH MIGRATION ================ 1601.77 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: 1599.2, 0.00395431/step Wall: 1599.2, 0.00395431/step, 2.30185 hours remaining, 111.902344 MB of memory in use. ENERGY: 404400 710.1352 1847.8216 1990.3842 96.8138 0.0147 -1098.0009 0.0000 0.0000 2700.6037 6247.7724 298.2892 3547.1687 6279.3446 298.9403 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: 1599.99, 0.00394863/step Wall: 1599.99, 0.00394863/step, 2.29832 hours remaining, 111.902344 MB of memory in use. ENERGY: 404600 657.1753 1858.7569 2001.2522 111.3463 -0.8973 -1092.0353 0.0000 0.0000 2746.2379 6281.8359 303.3296 3535.5980 6314.0894 299.3823 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: 1600.79, 0.00396122/step Wall: 1600.79, 0.00396122/step, 2.30543 hours remaining, 111.902344 MB of memory in use. ENERGY: 404800 668.7653 1827.0958 2034.7046 109.3103 0.2804 -1096.3280 0.0000 0.0000 2729.4471 6273.2756 301.4750 3543.8285 6305.7245 299.9623 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: 1601.58, 0.00394863/step Wall: 1601.58, 0.00394863/step, 2.29789 hours remaining, 111.902344 MB of memory in use. ENERGY: 405000 662.8298 1833.4172 1977.8831 102.7404 -0.1816 -1055.9650 0.0000 0.0000 2726.6165 6247.3405 301.1624 3520.7239 6282.4932 299.0906 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: 1602.37, 0.00395158/step Wall: 1602.37, 0.00395158/step, 2.29938 hours remaining, 111.902344 MB of memory in use. ENERGY: 405200 678.3270 1829.5167 2046.5431 106.6717 -1.2581 -1081.5545 0.0000 0.0000 2646.6779 6224.9237 292.3329 3578.2458 6257.8538 297.4176 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: 1603.16, 0.00394898/step Wall: 1603.16, 0.00394898/step, 2.29765 hours remaining, 111.902344 MB of memory in use. ENERGY: 405400 647.7778 1805.3325 2041.1901 111.7709 0.3803 -1084.3826 0.0000 0.0000 2677.2244 6199.2934 295.7069 3522.0691 6232.6320 296.6395 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: 1603.94, 0.00394786/step Wall: 1603.94, 0.00394786/step, 2.29678 hours remaining, 111.902344 MB of memory in use. ENERGY: 405600 671.2317 1878.8030 1968.4367 99.3888 0.9116 -1085.5254 0.0000 0.0000 2661.4574 6194.7037 293.9654 3533.2464 6227.2085 297.7609 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: 1604.73, 0.00394426/step Wall: 1604.73, 0.00394426/step, 2.29446 hours remaining, 111.902344 MB of memory in use. ENERGY: 405800 662.5305 1838.2387 2022.6579 102.2983 -0.6413 -1089.6947 0.0000 0.0000 2705.6636 6241.0530 298.8481 3535.3895 6272.3356 297.6692 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: 1605.52, 0.0039502/step Wall: 1605.52, 0.0039502/step, 2.2977 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 406000 653.1284 1852.5129 1993.9369 98.2079 0.3322 -1052.8003 0.0000 0.0000 2667.3557 6212.6738 294.6169 3545.3181 6245.1883 298.1900 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: 1606.31, 0.00395108/step Wall: 1606.31, 0.00395108/step, 2.29799 hours remaining, 111.902344 MB of memory in use. ENERGY: 406200 674.6332 1836.4087 2021.6606 98.9600 -1.0113 -1068.7922 0.0000 0.0000 2686.6642 6248.5231 296.7495 3561.8589 6281.5231 296.7130 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: 1607.1, 0.00395033/step Wall: 1607.1, 0.00395033/step, 2.29734 hours remaining, 111.902344 MB of memory in use. ENERGY: 406400 666.6924 1852.0270 2014.1403 100.9845 0.1512 -1091.9787 0.0000 0.0000 2745.3614 6287.3781 303.2328 3542.0167 6321.7036 299.6267 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: 1607.89, 0.00394915/step Wall: 1607.89, 0.00394915/step, 2.29643 hours remaining, 111.902344 MB of memory in use. ENERGY: 406600 675.1879 1837.0226 1981.9257 112.2004 0.1617 -1092.9472 0.0000 0.0000 2704.5448 6218.0960 298.7245 3513.5512 6248.6619 301.2966 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: 1608.68, 0.00394397/step Wall: 1608.68, 0.00394397/step, 2.2932 hours remaining, 111.902344 MB of memory in use. ENERGY: 406800 669.1353 1839.3273 1985.7691 102.0033 -1.1054 -1032.7421 0.0000 0.0000 2633.5333 6195.9207 290.8811 3562.3875 6226.1439 297.1831 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: 1609.47, 0.00394918/step Wall: 1609.47, 0.00394918/step, 2.29601 hours remaining, 111.902344 MB of memory in use. ENERGY: 407000 682.8446 1806.4275 2004.8164 97.2894 -1.0722 -1032.7007 0.0000 0.0000 2677.6724 6235.2773 295.7564 3557.6050 6269.1418 295.0904 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: 1610.26, 0.0039497/step Wall: 1610.26, 0.0039497/step, 2.29609 hours remaining, 111.902344 MB of memory in use. ENERGY: 407200 656.1109 1854.7744 1968.6896 108.1510 -0.3054 -1074.7971 0.0000 0.0000 2751.4072 6264.0306 303.9006 3512.6234 6295.2418 299.5594 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: 1611.05, 0.00395091/step Wall: 1611.05, 0.00395091/step, 2.29658 hours remaining, 111.902344 MB of memory in use. ENERGY: 407400 644.8906 1803.9473 2000.0076 108.8708 -1.1791 -1074.9259 0.0000 0.0000 2800.7843 6282.3956 309.3544 3481.6113 6319.4730 302.6317 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: 1611.84, 0.00394901/step Wall: 1611.84, 0.00394901/step, 2.29525 hours remaining, 111.902344 MB of memory in use. ENERGY: 407600 634.3239 1844.7638 1994.6769 115.8342 -1.7456 -1042.7146 0.0000 0.0000 2743.2750 6288.4137 303.0024 3545.1387 6323.2602 301.8833 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: 1612.63, 0.00394378/step Wall: 1612.63, 0.00394378/step, 2.29199 hours remaining, 111.902344 MB of memory in use. ENERGY: 407800 662.2277 1852.6221 2013.3594 112.7260 -1.5880 -1054.2003 0.0000 0.0000 2691.8709 6277.0177 297.3246 3585.1469 6308.1302 300.4443 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: 1613.42, 0.00394895/step Wall: 1613.42, 0.00394895/step, 2.29478 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 408000 625.3246 1801.3588 2015.9404 109.7689 -0.3376 -1048.4145 0.0000 0.0000 2797.6059 6301.2464 309.0034 3503.6404 6337.9975 300.2397 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: 1614.21, 0.00394894/step Wall: 1614.21, 0.00394894/step, 2.29455 hours remaining, 111.902344 MB of memory in use. ENERGY: 408200 666.9902 1879.8359 1996.5328 98.1016 -0.8774 -1060.6168 0.0000 0.0000 2698.8375 6278.8038 298.0941 3579.9663 6310.0231 301.0920 LDB: ============= START OF LOAD BALANCING ============== 1617.17 LDB: ============== END OF LOAD BALANCING =============== 1617.17 LDB: =============== DONE WITH MIGRATION ================ 1617.17 LDB: ============= START OF LOAD BALANCING ============== 1617.57 LDB: ============== END OF LOAD BALANCING =============== 1617.57 LDB: =============== DONE WITH MIGRATION ================ 1617.57 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: 1615, 0.00395422/step Wall: 1615, 0.00395422/step, 2.2974 hours remaining, 111.902344 MB of memory in use. ENERGY: 408400 681.7293 1822.1997 2014.7547 112.2264 -0.5127 -1046.0158 0.0000 0.0000 2684.0592 6268.4407 296.4618 3584.3816 6301.0714 300.4287 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: 1615.79, 0.00394946/step Wall: 1615.79, 0.00394946/step, 2.29441 hours remaining, 111.902344 MB of memory in use. ENERGY: 408600 696.0760 1851.3999 2020.1080 100.7464 0.2917 -1073.4332 0.0000 0.0000 2751.2351 6346.4239 303.8816 3595.1888 6381.6216 302.4845 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: 1616.58, 0.00394577/step Wall: 1616.58, 0.00394577/step, 2.29205 hours remaining, 111.902344 MB of memory in use. ENERGY: 408800 642.9168 1862.1352 1998.6054 114.9896 -0.7060 -1074.2906 0.0000 0.0000 2769.4875 6313.1378 305.8976 3543.6504 6346.7350 304.5791 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: 1617.37, 0.00394943/step Wall: 1617.37, 0.00394943/step, 2.29396 hours remaining, 111.902344 MB of memory in use. ENERGY: 409000 687.3147 1885.3966 2005.6943 105.0635 -0.6030 -1057.6796 0.0000 0.0000 2756.1598 6381.3462 304.4255 3625.1864 6411.7170 304.8904 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: 1618.16, 0.00394817/step Wall: 1618.16, 0.00394817/step, 2.29301 hours remaining, 111.902344 MB of memory in use. ENERGY: 409200 674.6549 1898.7950 1998.6624 104.2366 -0.3205 -1066.7137 0.0000 0.0000 2712.3817 6321.6964 299.5901 3609.3146 6355.1484 305.0840 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: 1618.95, 0.0039555/step Wall: 1618.95, 0.0039555/step, 2.29705 hours remaining, 111.902344 MB of memory in use. ENERGY: 409400 706.1657 1829.7859 1974.8346 99.5807 -0.5174 -1036.9862 0.0000 0.0000 2737.8010 6310.6643 302.3977 3572.8633 6343.1110 304.6734 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: 1619.74, 0.00394531/step Wall: 1619.74, 0.00394531/step, 2.29091 hours remaining, 111.902344 MB of memory in use. ENERGY: 409600 642.4649 1844.2552 2002.6601 103.3456 -1.2374 -1033.7254 0.0000 0.0000 2748.2952 6306.0582 303.5569 3557.7630 6341.2721 302.9396 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: 1620.53, 0.00394864/step Wall: 1620.53, 0.00394864/step, 2.29262 hours remaining, 111.902344 MB of memory in use. ENERGY: 409800 680.8532 1873.5964 2000.9219 94.9882 -0.4477 -1039.9526 0.0000 0.0000 2662.7850 6272.7444 294.1120 3609.9594 6303.8935 300.9299 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: 1621.32, 0.00395063/step Wall: 1621.32, 0.00395063/step, 2.29356 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 410000 644.7996 1862.9229 1987.2243 111.1135 -2.0291 -1047.9704 0.0000 0.0000 2697.0064 6253.0673 297.8919 3556.0609 6285.5442 299.4973 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 410000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1622.15, 0.00415684/step Wall: 1622.15, 0.00415684/step, 2.41305 hours remaining, 111.902344 MB of memory in use. ENERGY: 410200 633.9587 1838.9424 1986.0045 112.7938 -0.8071 -1051.0720 0.0000 0.0000 2704.9889 6224.8091 298.7736 3519.8202 6256.5591 297.6950 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: 1622.94, 0.00395263/step Wall: 1622.94, 0.00395263/step, 2.29428 hours remaining, 111.902344 MB of memory in use. ENERGY: 410400 659.6420 1868.5808 1970.8385 105.0631 -0.1837 -1085.2078 0.0000 0.0000 2659.1631 6177.8962 293.7120 3518.7330 6210.0142 296.9218 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: 1623.73, 0.00394517/step Wall: 1623.73, 0.00394517/step, 2.28974 hours remaining, 111.902344 MB of memory in use. ENERGY: 410600 635.0458 1849.9137 1999.1179 106.2272 -0.3031 -1079.1856 0.0000 0.0000 2679.5666 6190.3824 295.9656 3510.8158 6222.9547 296.3546 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: 1624.52, 0.00395219/step Wall: 1624.52, 0.00395219/step, 2.29359 hours remaining, 111.902344 MB of memory in use. ENERGY: 410800 666.3078 1813.3374 2001.8601 96.2614 -0.3346 -1095.0746 0.0000 0.0000 2701.8930 6184.2505 298.4316 3482.3575 6217.3542 296.1234 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: 1625.31, 0.00395231/step Wall: 1625.31, 0.00395231/step, 2.29343 hours remaining, 111.902344 MB of memory in use. ENERGY: 411000 653.9264 1816.1984 2005.5737 102.2454 -0.4543 -1057.6753 0.0000 0.0000 2679.8163 6199.6307 295.9932 3519.8144 6229.0432 295.3742 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: 1626.1, 0.00395141/step Wall: 1626.1, 0.00395141/step, 2.29269 hours remaining, 111.902344 MB of memory in use. ENERGY: 411200 649.8427 1789.6221 1988.1941 102.2391 -0.6558 -1080.2556 0.0000 0.0000 2733.7304 6182.7170 301.9481 3448.9866 6216.4063 298.1659 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: 1626.89, 0.00394853/step Wall: 1626.89, 0.00394853/step, 2.29081 hours remaining, 111.902344 MB of memory in use. ENERGY: 411400 660.9262 1766.1189 1990.3454 112.2173 -1.5102 -1046.1665 0.0000 0.0000 2680.3330 6162.2642 296.0502 3481.9311 6196.1554 294.9588 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: 1627.68, 0.0039453/step Wall: 1627.68, 0.0039453/step, 2.28871 hours remaining, 111.902344 MB of memory in use. ENERGY: 411600 672.3384 1813.9334 2005.3705 110.1586 -1.0714 -1092.9769 0.0000 0.0000 2674.2189 6181.9714 295.3749 3507.7526 6213.0770 297.2136 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: 1628.47, 0.00394919/step Wall: 1628.47, 0.00394919/step, 2.29075 hours remaining, 111.902344 MB of memory in use. ENERGY: 411800 643.6061 1838.4455 2015.6821 109.0017 -0.1721 -1055.4342 0.0000 0.0000 2638.0001 6189.1292 291.3745 3551.1291 6217.2516 295.0764 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: 1629.26, 0.00395032/step Wall: 1629.26, 0.00395032/step, 2.29119 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 412000 632.8081 1810.3237 2018.3641 105.4984 0.0544 -1057.9335 0.0000 0.0000 2623.9194 6133.0346 289.8192 3509.1152 6166.7833 295.1813 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: 1630.05, 0.00395183/step Wall: 1630.05, 0.00395183/step, 2.29184 hours remaining, 111.902344 MB of memory in use. ENERGY: 412200 670.0514 1815.2679 1988.8617 99.7080 -0.2860 -1083.5888 0.0000 0.0000 2634.1802 6124.1944 290.9525 3490.0143 6160.9427 293.8523 LDB: ============= START OF LOAD BALANCING ============== 1633.01 LDB: ============== END OF LOAD BALANCING =============== 1633.01 LDB: =============== DONE WITH MIGRATION ================ 1633.01 LDB: ============= START OF LOAD BALANCING ============== 1633.41 LDB: ============== END OF LOAD BALANCING =============== 1633.41 LDB: =============== DONE WITH MIGRATION ================ 1633.41 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: 1630.84, 0.00395524/step Wall: 1630.84, 0.00395524/step, 2.2936 hours remaining, 111.902344 MB of memory in use. ENERGY: 412400 658.2816 1832.1262 1992.8203 96.4193 -1.6600 -1101.4351 0.0000 0.0000 2709.5063 6186.0585 299.2725 3476.5522 6217.0717 293.0582 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: 1631.63, 0.00394624/step Wall: 1631.63, 0.00394624/step, 2.28816 hours remaining, 111.902344 MB of memory in use. ENERGY: 412600 653.5494 1811.8242 1975.5573 95.9303 -1.0335 -1072.1876 0.0000 0.0000 2711.2675 6174.9076 299.4670 3463.6400 6211.8551 297.4737 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: 1632.42, 0.00395072/step Wall: 1632.42, 0.00395072/step, 2.29054 hours remaining, 111.902344 MB of memory in use. ENERGY: 412800 638.1794 1879.8909 1962.5615 111.8471 -0.2467 -1042.5222 0.0000 0.0000 2687.0077 6236.7177 296.7875 3549.7100 6271.5224 297.4830 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: 1633.21, 0.00395153/step Wall: 1633.21, 0.00395153/step, 2.29079 hours remaining, 111.902344 MB of memory in use. ENERGY: 413000 642.1284 1841.5862 1975.4745 91.2514 -1.0987 -1037.1359 0.0000 0.0000 2743.3029 6255.5087 303.0054 3512.2058 6290.7080 297.2506 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: 1634, 0.00395052/step Wall: 1634, 0.00395052/step, 2.28998 hours remaining, 111.902344 MB of memory in use. ENERGY: 413200 651.0124 1879.3250 1991.0125 107.9700 -1.9373 -1044.8009 0.0000 0.0000 2645.3651 6227.9469 292.1879 3582.5817 6257.9507 297.6356 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: 1634.79, 0.00394457/step Wall: 1634.79, 0.00394457/step, 2.28632 hours remaining, 111.902344 MB of memory in use. ENERGY: 413400 663.6188 1885.9505 1984.8375 100.3741 -1.9926 -1117.6959 0.0000 0.0000 2693.5536 6208.6461 297.5105 3515.0924 6240.5654 296.8912 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: 1635.58, 0.00395036/step Wall: 1635.58, 0.00395036/step, 2.28945 hours remaining, 111.902344 MB of memory in use. ENERGY: 413600 640.2522 1849.0385 1983.7251 117.6271 -1.9794 -1065.1231 0.0000 0.0000 2706.3607 6229.9011 298.9251 3523.5403 6264.3908 297.2623 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: 1636.37, 0.00395287/step Wall: 1636.37, 0.00395287/step, 2.29069 hours remaining, 111.902344 MB of memory in use. ENERGY: 413800 672.3072 1819.4599 1976.0305 105.4877 -2.4508 -1046.7084 0.0000 0.0000 2703.1181 6227.2442 298.5669 3524.1261 6258.5454 297.2152 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: 1637.16, 0.00395026/step Wall: 1637.16, 0.00395026/step, 2.28896 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 414000 630.9226 1878.1058 1987.8191 105.9715 -1.5650 -1038.0025 0.0000 0.0000 2690.4342 6253.6856 297.1660 3563.2514 6283.6917 299.2327 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: 1637.95, 0.00395079/step Wall: 1637.95, 0.00395079/step, 2.28905 hours remaining, 111.902344 MB of memory in use. ENERGY: 414200 673.1049 1797.1935 2034.6811 120.1321 -1.3376 -1049.2777 0.0000 0.0000 2693.7022 6268.1986 297.5269 3574.4963 6302.4814 299.8003 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: 1638.74, 0.00394492/step Wall: 1638.74, 0.00394492/step, 2.28542 hours remaining, 111.902344 MB of memory in use. ENERGY: 414400 656.8008 1871.4630 1990.2292 109.3264 -0.4014 -1091.3965 0.0000 0.0000 2715.4162 6251.4377 299.9253 3536.0215 6284.8051 300.3474 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: 1639.53, 0.00395139/step Wall: 1639.53, 0.00395139/step, 2.28896 hours remaining, 111.902344 MB of memory in use. ENERGY: 414600 655.2478 1829.0123 1973.4800 97.5523 -0.7438 -1019.6487 0.0000 0.0000 2730.8181 6265.7181 301.6265 3534.9000 6301.4069 300.8323 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: 1640.32, 0.00394886/step Wall: 1640.32, 0.00394886/step, 2.28727 hours remaining, 111.902344 MB of memory in use. ENERGY: 414800 668.9666 1847.9040 2025.2226 112.3009 -1.0382 -1063.9129 0.0000 0.0000 2711.5998 6301.0428 299.5038 3589.4430 6334.3166 301.1304 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: 1641.11, 0.00395157/step Wall: 1641.11, 0.00395157/step, 2.28861 hours remaining, 111.902344 MB of memory in use. ENERGY: 415000 650.6235 1870.0450 2016.4094 112.3657 -0.9249 -1035.5078 0.0000 0.0000 2693.2530 6306.2639 297.4773 3613.0109 6338.2543 302.6314 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: 1641.9, 0.00395072/step Wall: 1641.9, 0.00395073/step, 2.28791 hours remaining, 111.902344 MB of memory in use. ENERGY: 415200 634.1219 1861.9180 1998.2229 108.2696 -0.5952 -1026.6192 0.0000 0.0000 2724.5505 6299.8685 300.9342 3575.3180 6334.9287 300.5200 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: 1642.69, 0.00394542/step Wall: 1642.69, 0.00394542/step, 2.28462 hours remaining, 111.902344 MB of memory in use. ENERGY: 415400 630.1527 1879.5068 2003.0907 111.3086 0.5963 -1056.5953 0.0000 0.0000 2693.6698 6261.7297 297.5233 3568.0599 6295.4931 299.5466 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: 1643.48, 0.00395117/step Wall: 1643.48, 0.00395117/step, 2.28773 hours remaining, 111.902344 MB of memory in use. ENERGY: 415600 646.1944 1862.7496 1986.6530 103.8759 0.3729 -1033.2603 0.0000 0.0000 2691.5468 6258.1323 297.2888 3566.5855 6291.0066 298.9203 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: 1644.27, 0.00395108/step Wall: 1644.27, 0.00395108/step, 2.28746 hours remaining, 111.902344 MB of memory in use. ENERGY: 415800 654.1226 1847.6401 1969.3173 103.0146 -0.8617 -1051.4013 0.0000 0.0000 2729.8222 6251.6537 301.5165 3521.8315 6283.0082 298.8139 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: 1645.06, 0.00395202/step Wall: 1645.06, 0.00395202/step, 2.28778 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 416000 671.8402 1857.3410 1976.9777 103.4559 -0.5232 -1053.9714 0.0000 0.0000 2712.4107 6267.5308 299.5933 3555.1201 6297.0897 299.4141 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: 1645.85, 0.00394795/step Wall: 1645.85, 0.00394795/step, 2.2852 hours remaining, 111.902344 MB of memory in use. ENERGY: 416200 686.6892 1756.4147 1995.5433 107.0174 0.1961 -1050.6126 0.0000 0.0000 2731.5034 6226.7514 301.7022 3495.2480 6259.9950 298.8523 LDB: ============= START OF LOAD BALANCING ============== 1648.81 LDB: ============== END OF LOAD BALANCING =============== 1648.81 LDB: =============== DONE WITH MIGRATION ================ 1648.81 LDB: ============= START OF LOAD BALANCING ============== 1649.21 LDB: ============== END OF LOAD BALANCING =============== 1649.21 LDB: =============== DONE WITH MIGRATION ================ 1649.21 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: 1646.64, 0.00395219/step Wall: 1646.64, 0.00395219/step, 2.28744 hours remaining, 111.902344 MB of memory in use. ENERGY: 416400 667.8852 1864.2487 1969.3624 109.3588 -1.8384 -1060.8105 0.0000 0.0000 2712.2801 6260.4862 299.5789 3548.2061 6294.4965 298.4538 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: 1647.43, 0.00395132/step Wall: 1647.43, 0.00395132/step, 2.28672 hours remaining, 111.902344 MB of memory in use. ENERGY: 416600 630.3120 1874.8192 1981.9192 104.1812 -0.2582 -1015.6758 0.0000 0.0000 2697.3781 6272.6757 297.9329 3575.2975 6301.8509 301.1788 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: 1648.22, 0.00395082/step Wall: 1648.22, 0.00395082/step, 2.28621 hours remaining, 111.902344 MB of memory in use. ENERGY: 416800 645.7267 1858.3843 1986.5786 107.3166 -0.8224 -1031.8997 0.0000 0.0000 2677.7345 6243.0187 295.7632 3565.2842 6273.9226 299.6106 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: 1649.01, 0.0039508/step Wall: 1649.01, 0.0039508/step, 2.28598 hours remaining, 111.902344 MB of memory in use. ENERGY: 417000 657.8417 1815.0058 1980.0327 104.7420 -0.0666 -1061.6600 0.0000 0.0000 2750.7834 6246.6791 303.8317 3495.8957 6280.3510 298.3191 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: 1649.8, 0.00394507/step Wall: 1649.8, 0.00394507/step, 2.28244 hours remaining, 111.902344 MB of memory in use. ENERGY: 417200 665.9056 1859.2861 1982.4704 115.5134 0.4446 -1087.7384 0.0000 0.0000 2734.8763 6270.7580 302.0747 3535.8817 6301.3676 300.5305 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: 1650.59, 0.00395054/step Wall: 1650.59, 0.00395053/step, 2.28538 hours remaining, 111.902344 MB of memory in use. ENERGY: 417400 652.0506 1872.5536 1982.1644 108.0480 -0.0029 -1052.2968 0.0000 0.0000 2717.2332 6279.7500 300.1260 3562.5168 6312.0696 301.8621 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: 1651.38, 0.00395233/step Wall: 1651.38, 0.00395233/step, 2.2862 hours remaining, 111.902344 MB of memory in use. ENERGY: 417600 652.1563 1866.1477 2017.2558 110.4607 -1.4504 -1077.2423 0.0000 0.0000 2745.1834 6312.5111 303.2132 3567.3278 6349.9163 302.0356 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: 1652.17, 0.00394914/step Wall: 1652.17, 0.00394914/step, 2.28414 hours remaining, 111.902344 MB of memory in use. ENERGY: 417800 641.1787 1851.3539 2008.6946 102.2215 0.5251 -1054.0071 0.0000 0.0000 2724.3838 6274.3505 300.9158 3549.9667 6308.2103 301.4854 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: 1652.96, 0.00394972/step Wall: 1652.96, 0.00394972/step, 2.28425 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 418000 632.3653 1856.1711 1981.4531 114.3449 -0.1339 -1063.9379 0.0000 0.0000 2731.5169 6251.7794 301.7036 3520.2625 6285.3477 299.5358 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: 1653.75, 0.00394583/step Wall: 1653.75, 0.00394583/step, 2.28179 hours remaining, 111.902344 MB of memory in use. ENERGY: 418200 676.0315 1891.7712 1996.8006 103.6154 0.6477 -1074.6698 0.0000 0.0000 2692.5018 6286.6984 297.3943 3594.1967 6318.2317 300.8035 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: 1654.54, 0.0039502/step Wall: 1654.54, 0.0039502/step, 2.28409 hours remaining, 111.902344 MB of memory in use. ENERGY: 418400 642.8893 1837.5424 1989.4855 103.6141 -0.7107 -1028.8091 0.0000 0.0000 2722.2802 6266.2916 300.6834 3544.0115 6300.7302 301.2863 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: 1655.33, 0.00394997/step Wall: 1655.33, 0.00394997/step, 2.28374 hours remaining, 111.902344 MB of memory in use. ENERGY: 418600 695.2761 1827.7379 1991.2722 114.9830 -1.6146 -1058.2708 0.0000 0.0000 2712.3263 6281.7101 299.5840 3569.3837 6314.5654 301.3597 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: 1656.12, 0.00395271/step Wall: 1656.12, 0.00395271/step, 2.28511 hours remaining, 111.902344 MB of memory in use. ENERGY: 418800 657.3873 1827.8546 1982.5322 117.7597 -0.8184 -1058.4511 0.0000 0.0000 2774.7116 6300.9761 306.4746 3526.2644 6334.2764 301.4347 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: 1656.91, 0.00394992/step Wall: 1656.91, 0.00394992/step, 2.28328 hours remaining, 111.902344 MB of memory in use. ENERGY: 419000 648.6176 1878.1081 2009.5844 108.5145 0.1578 -1064.4247 0.0000 0.0000 2733.0620 6313.6198 301.8743 3580.5578 6348.8214 302.4796 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: 1657.7, 0.00394481/step Wall: 1657.7, 0.00394481/step, 2.2801 hours remaining, 111.902344 MB of memory in use. ENERGY: 419200 684.7267 1902.6368 2014.4203 102.7564 -1.6847 -1080.6859 0.0000 0.0000 2734.1242 6356.2939 301.9916 3622.1697 6389.3785 303.1456 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: 1658.49, 0.00394868/step Wall: 1658.49, 0.00394868/step, 2.28212 hours remaining, 111.902344 MB of memory in use. ENERGY: 419400 678.0993 1832.1796 2006.7200 111.2635 -0.3482 -1052.4955 0.0000 0.0000 2772.9272 6348.3460 306.2775 3575.4188 6381.9471 307.5964 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: 1659.28, 0.00395291/step Wall: 1659.28, 0.0039529/step, 2.28434 hours remaining, 111.902344 MB of memory in use. ENERGY: 419600 674.5268 1880.9460 1975.5074 121.6101 -2.0458 -1049.4268 0.0000 0.0000 2726.7744 6327.8921 301.1798 3601.1177 6362.4295 305.8740 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: 1660.07, 0.00395133/step Wall: 1660.07, 0.00395133/step, 2.28321 hours remaining, 111.902344 MB of memory in use. ENERGY: 419800 666.1532 1857.6687 1996.3000 109.4002 -1.3237 -1044.4261 0.0000 0.0000 2748.1135 6331.8858 303.5368 3583.7722 6364.8750 302.6060 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: 1660.86, 0.00395854/step Wall: 1660.86, 0.00395854/step, 2.28716 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 420000 669.9205 1838.2620 1988.5478 110.4009 -0.2979 -1020.5434 0.0000 0.0000 2720.9293 6307.2193 300.5342 3586.2900 6338.8407 301.7460 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 420000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1661.69, 0.0041337/step Wall: 1661.69, 0.0041337/step, 2.38813 hours remaining, 111.902344 MB of memory in use. ENERGY: 420200 653.7124 1836.2388 2015.4378 100.9153 -0.0837 -1066.4134 0.0000 0.0000 2787.4151 6327.2224 307.8778 3539.8072 6360.7856 302.3725 LDB: ============= START OF LOAD BALANCING ============== 1664.65 LDB: ============== END OF LOAD BALANCING =============== 1664.65 LDB: =============== DONE WITH MIGRATION ================ 1664.65 LDB: ============= START OF LOAD BALANCING ============== 1665.04 LDB: ============== END OF LOAD BALANCING =============== 1665.04 LDB: =============== DONE WITH MIGRATION ================ 1665.04 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: 1662.48, 0.00395782/step Wall: 1662.48, 0.00395782/step, 2.2863 hours remaining, 111.902344 MB of memory in use. ENERGY: 420400 659.8299 1872.5598 1989.5699 107.2875 -1.0720 -1067.1382 0.0000 0.0000 2786.2557 6347.2925 307.7497 3561.0369 6385.1798 304.2052 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: 1663.27, 0.00395072/step Wall: 1663.27, 0.00395072/step, 2.28198 hours remaining, 111.902344 MB of memory in use. ENERGY: 420600 668.8927 1868.8492 1993.3429 110.8796 -0.4833 -1072.5517 0.0000 0.0000 2772.5207 6341.4502 306.2326 3568.9295 6375.1232 303.9870 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: 1664.08, 0.00403669/step Wall: 1664.08, 0.00403669/step, 2.33142 hours remaining, 111.902344 MB of memory in use. ENERGY: 420800 667.2931 1872.2271 2015.5079 100.1724 -0.6829 -1072.3260 0.0000 0.0000 2734.6286 6316.8204 302.0473 3582.1918 6349.1983 303.5140 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: 1664.87, 0.00394722/step Wall: 1664.87, 0.00394722/step, 2.27952 hours remaining, 111.902344 MB of memory in use. ENERGY: 421000 642.7410 1848.6982 2031.9896 113.8839 -0.7400 -1051.2191 0.0000 0.0000 2749.6712 6335.0248 303.7088 3585.3536 6364.4232 304.0829 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: 1665.66, 0.00394595/step Wall: 1665.66, 0.00394595/step, 2.27857 hours remaining, 111.902344 MB of memory in use. ENERGY: 421200 683.4138 1867.0320 1984.0377 97.8727 -1.8928 -1063.9207 0.0000 0.0000 2801.3649 6367.9076 309.4186 3566.5428 6402.8833 303.4949 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: 1666.45, 0.00394533/step Wall: 1666.45, 0.00394533/step, 2.27799 hours remaining, 111.902344 MB of memory in use. ENERGY: 421400 698.2257 1865.1966 2005.7266 117.5717 -1.5863 -1065.0174 0.0000 0.0000 2791.1104 6411.2273 308.2859 3620.1169 6447.0209 307.3325 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: 1667.23, 0.00394351/step Wall: 1667.23, 0.00394351/step, 2.27672 hours remaining, 111.902344 MB of memory in use. ENERGY: 421600 671.7159 1888.0976 1992.7970 114.8249 -1.1128 -1040.2609 0.0000 0.0000 2720.4670 6346.5287 300.4832 3626.0617 6379.6568 306.8247 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: 1668.02, 0.00394509/step Wall: 1668.02, 0.00394509/step, 2.27742 hours remaining, 111.902344 MB of memory in use. ENERGY: 421800 673.4089 1883.0959 2016.8893 106.6738 -2.0759 -1083.0647 0.0000 0.0000 2780.0542 6374.9815 307.0647 3594.9273 6406.2867 304.3656 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: 1668.81, 0.00394722/step Wall: 1668.81, 0.00394722/step, 2.27842 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 422000 660.4060 1898.3969 1995.8423 102.2076 -1.3824 -1036.8008 0.0000 0.0000 2762.0224 6380.6922 305.0731 3618.6697 6414.4283 306.9766 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: 1669.6, 0.00394704/step Wall: 1669.6, 0.00394704/step, 2.2781 hours remaining, 111.902344 MB of memory in use. ENERGY: 422200 660.1193 1849.8171 2010.1856 115.2610 -1.0992 -1071.3537 0.0000 0.0000 2830.8532 6393.7834 312.6756 3562.9302 6428.2262 307.6070 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: 1670.39, 0.00394701/step Wall: 1670.39, 0.00394701/step, 2.27786 hours remaining, 111.902344 MB of memory in use. ENERGY: 422400 619.4718 1916.7609 2007.6928 114.9779 0.8237 -1118.5831 0.0000 0.0000 2721.3914 6262.5353 300.5853 3541.1440 6296.0577 304.0227 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: 1671.18, 0.00394645/step Wall: 1671.18, 0.00394645/step, 2.27732 hours remaining, 111.902344 MB of memory in use. ENERGY: 422600 654.1832 1791.6423 1994.0803 111.8126 0.8939 -1089.6030 0.0000 0.0000 2723.7253 6186.7345 300.8430 3463.0092 6222.2295 298.7697 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: 1671.97, 0.0039456/step Wall: 1671.97, 0.0039456/step, 2.27661 hours remaining, 111.902344 MB of memory in use. ENERGY: 422800 650.6940 1872.1023 1986.8760 102.2650 -0.9678 -1064.0390 0.0000 0.0000 2672.8888 6219.8193 295.2280 3546.9305 6252.3587 298.2501 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: 1672.76, 0.00394781/step Wall: 1672.76, 0.00394781/step, 2.27766 hours remaining, 111.902344 MB of memory in use. ENERGY: 423000 654.3573 1814.7292 2006.4220 109.5060 0.9381 -1093.6531 0.0000 0.0000 2710.7634 6203.0629 299.4114 3492.2995 6236.6232 297.6824 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: 1673.55, 0.00394787/step Wall: 1673.55, 0.00394787/step, 2.27748 hours remaining, 111.902344 MB of memory in use. ENERGY: 423200 663.0204 1808.9862 1957.5727 105.9452 -0.6212 -1070.5992 0.0000 0.0000 2653.4282 6117.7323 293.0785 3464.3041 6150.3018 294.7466 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: 1674.34, 0.00394558/step Wall: 1674.34, 0.00394558/step, 2.27594 hours remaining, 111.902344 MB of memory in use. ENERGY: 423400 633.8790 1794.5150 2012.8802 115.6342 -0.0385 -1059.0949 0.0000 0.0000 2647.3100 6145.0850 292.4028 3497.7751 6176.9324 293.8807 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: 1675.13, 0.00394723/step Wall: 1675.13, 0.00394723/step, 2.27667 hours remaining, 111.902344 MB of memory in use. ENERGY: 423600 648.5537 1796.4145 1984.7667 106.9308 -0.3226 -1070.9979 0.0000 0.0000 2678.4573 6143.8026 295.8431 3465.3453 6177.3855 293.2123 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: 1675.92, 0.00394587/step Wall: 1675.92, 0.00394587/step, 2.27567 hours remaining, 111.902344 MB of memory in use. ENERGY: 423800 645.4723 1788.2958 2038.2236 119.2127 -0.0431 -1106.7900 0.0000 0.0000 2640.3187 6124.6899 291.6306 3484.3712 6154.8025 292.4469 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: 1676.71, 0.00394566/step Wall: 1676.71, 0.00394566/step, 2.27533 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 424000 636.8314 1803.2260 1997.1146 112.3196 -1.5102 -1073.2073 0.0000 0.0000 2687.3225 6162.0967 296.8223 3474.7742 6194.7122 293.9474 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: 1677.5, 0.00394618/step Wall: 1677.5, 0.00394618/step, 2.27541 hours remaining, 111.902344 MB of memory in use. ENERGY: 424200 651.6553 1803.8576 2003.6382 107.0675 -1.1263 -1076.5195 0.0000 0.0000 2708.8477 6197.4205 299.1998 3488.5728 6232.4164 297.4368 LDB: ============= START OF LOAD BALANCING ============== 1680.45 LDB: ============== END OF LOAD BALANCING =============== 1680.45 LDB: =============== DONE WITH MIGRATION ================ 1680.45 LDB: ============= START OF LOAD BALANCING ============== 1680.85 LDB: ============== END OF LOAD BALANCING =============== 1680.85 LDB: =============== DONE WITH MIGRATION ================ 1680.85 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: 1678.29, 0.00394868/step Wall: 1678.29, 0.00394868/step, 2.27664 hours remaining, 111.902344 MB of memory in use. ENERGY: 424400 648.9137 1807.8293 1999.7936 110.3670 0.0288 -1039.1545 0.0000 0.0000 2687.4020 6215.1799 296.8310 3527.7779 6247.9909 297.7089 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: 1679.07, 0.00394565/step Wall: 1679.07, 0.00394565/step, 2.27467 hours remaining, 111.902344 MB of memory in use. ENERGY: 424600 669.9504 1795.3290 1952.6356 111.2434 0.2675 -1045.2874 0.0000 0.0000 2716.5024 6200.6410 300.0453 3484.1386 6234.7978 296.3977 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: 1679.86, 0.00394498/step Wall: 1679.86, 0.00394498/step, 2.27406 hours remaining, 111.902344 MB of memory in use. ENERGY: 424800 634.9389 1850.0176 1971.6682 116.1674 -0.3995 -1041.4020 0.0000 0.0000 2612.8284 6143.8190 288.5942 3530.9906 6173.8510 294.3381 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: 1680.65, 0.00394537/step Wall: 1680.65, 0.00394537/step, 2.27407 hours remaining, 111.902344 MB of memory in use. ENERGY: 425000 636.4472 1841.8327 1993.1445 111.0436 0.6568 -1068.7467 0.0000 0.0000 2654.5509 6168.9289 293.2025 3514.3780 6199.8120 294.3355 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: 1681.44, 0.00394466/step Wall: 1681.44, 0.00394466/step, 2.27344 hours remaining, 111.902344 MB of memory in use. ENERGY: 425200 661.1886 1802.9669 2002.9924 102.6416 -1.3859 -1062.8382 0.0000 0.0000 2707.0987 6212.6641 299.0066 3505.5654 6246.7632 295.3362 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: 1682.23, 0.00394503/step Wall: 1682.23, 0.00394503/step, 2.27343 hours remaining, 111.902344 MB of memory in use. ENERGY: 425400 650.5203 1837.7399 1995.7859 110.6733 -0.6333 -1111.4698 0.0000 0.0000 2708.3758 6190.9920 299.1477 3482.6162 6225.8217 297.4170 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: 1683.02, 0.00394549/step Wall: 1683.02, 0.00394549/step, 2.27348 hours remaining, 111.902344 MB of memory in use. ENERGY: 425600 624.5915 1819.2727 2016.4449 110.0159 0.2998 -1085.9154 0.0000 0.0000 2721.5711 6206.2805 300.6051 3484.7093 6240.8189 297.8988 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: 1683.81, 0.00394458/step Wall: 1683.81, 0.00394458/step, 2.27273 hours remaining, 111.902344 MB of memory in use. ENERGY: 425800 651.6092 1789.9470 2034.9281 117.1854 -0.8193 -1070.5402 0.0000 0.0000 2695.6931 6218.0035 297.7468 3522.3103 6251.2543 295.3890 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: 1684.6, 0.00394685/step Wall: 1684.6, 0.00394685/step, 2.27383 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 426000 645.6557 1853.1517 1998.0060 100.4904 0.0637 -1051.6664 0.0000 0.0000 2702.8812 6248.5824 298.5408 3545.7012 6280.7603 297.7977 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: 1685.39, 0.00394489/step Wall: 1685.39, 0.00394489/step, 2.27248 hours remaining, 111.902344 MB of memory in use. ENERGY: 426200 680.3225 1795.1737 2004.0922 100.4424 -0.3046 -1076.9094 0.0000 0.0000 2704.2793 6207.0960 298.6952 3502.8168 6237.5312 297.6643 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: 1686.18, 0.00394477/step Wall: 1686.18, 0.00394477/step, 2.27219 hours remaining, 111.902344 MB of memory in use. ENERGY: 426400 640.5102 1792.2919 1991.5470 109.1422 -0.2524 -1077.2823 0.0000 0.0000 2731.6383 6187.5949 301.7171 3455.9566 6224.3773 296.2654 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: 1686.96, 0.00394485/step Wall: 1686.96, 0.00394485/step, 2.27201 hours remaining, 111.902344 MB of memory in use. ENERGY: 426600 673.9137 1794.3940 2006.9777 101.6848 0.3516 -1040.8347 0.0000 0.0000 2647.8735 6184.3605 292.4650 3536.4870 6214.8498 295.4423 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: 1687.75, 0.00394558/step Wall: 1687.75, 0.00394557/step, 2.27221 hours remaining, 111.902344 MB of memory in use. ENERGY: 426800 660.1348 1788.2998 2020.0327 115.4363 -0.9692 -1079.8256 0.0000 0.0000 2710.9717 6214.0805 299.4344 3503.1087 6248.7674 296.6868 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: 1688.54, 0.00394689/step Wall: 1688.54, 0.0039469/step, 2.27275 hours remaining, 111.902344 MB of memory in use. ENERGY: 427000 670.2373 1851.5584 1980.1097 113.6591 -0.8123 -1063.7260 0.0000 0.0000 2682.6869 6233.7131 296.3102 3551.0261 6261.5631 298.0589 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: 1689.33, 0.00394449/step Wall: 1689.33, 0.00394449/step, 2.27115 hours remaining, 111.902344 MB of memory in use. ENERGY: 427200 657.9022 1824.5492 2032.4148 104.4403 -1.0343 -1058.7223 0.0000 0.0000 2738.1206 6297.6704 302.4330 3559.5498 6331.0313 300.2965 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: 1690.12, 0.00394464/step Wall: 1690.12, 0.00394464/step, 2.27102 hours remaining, 111.902344 MB of memory in use. ENERGY: 427400 672.4903 1857.5385 1999.7005 98.0330 -2.0018 -1048.7119 0.0000 0.0000 2735.7773 6312.8260 302.1742 3577.0486 6344.9054 303.0174 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: 1690.91, 0.00394541/step Wall: 1690.91, 0.00394541/step, 2.27124 hours remaining, 111.902344 MB of memory in use. ENERGY: 427600 636.7213 1885.6167 2001.2368 104.9446 -1.2652 -1073.2153 0.0000 0.0000 2793.5331 6347.5720 308.5535 3554.0389 6381.2830 305.3271 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: 1691.7, 0.00394486/step Wall: 1691.7, 0.00394485/step, 2.2707 hours remaining, 111.902344 MB of memory in use. ENERGY: 427800 671.6003 1860.1545 2003.5998 128.2216 -1.1678 -1063.0016 0.0000 0.0000 2694.7012 6294.1079 297.6373 3599.4067 6329.4782 304.8512 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: 1692.49, 0.00394597/step Wall: 1692.49, 0.00394598/step, 2.27113 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 428000 682.0670 1830.1355 1998.9711 111.4580 -2.0541 -1069.3187 0.0000 0.0000 2721.6688 6272.9277 300.6159 3551.2588 6305.8727 302.1879 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: 1693.28, 0.00394544/step Wall: 1693.28, 0.00394544/step, 2.2706 hours remaining, 111.902344 MB of memory in use. ENERGY: 428200 644.5010 1811.1235 2033.5658 116.9466 -0.7532 -1074.0532 0.0000 0.0000 2731.0973 6262.4279 301.6573 3531.3306 6296.0630 301.0662 LDB: ============= START OF LOAD BALANCING ============== 1696.24 LDB: ============== END OF LOAD BALANCING =============== 1696.24 LDB: =============== DONE WITH MIGRATION ================ 1696.24 LDB: ============= START OF LOAD BALANCING ============== 1696.63 LDB: ============== END OF LOAD BALANCING =============== 1696.63 LDB: =============== DONE WITH MIGRATION ================ 1696.63 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: 1694.07, 0.00395012/step Wall: 1694.07, 0.00395012/step, 2.27307 hours remaining, 111.902344 MB of memory in use. ENERGY: 428400 668.6370 1836.4773 2004.4450 109.6687 -1.2136 -1054.1002 0.0000 0.0000 2657.1088 6221.0230 293.4851 3563.9142 6253.9691 298.5417 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: 1694.86, 0.00394553/step Wall: 1694.86, 0.00394553/step, 2.27022 hours remaining, 111.902344 MB of memory in use. ENERGY: 428600 625.5648 1835.0563 2006.7185 111.0256 -1.6985 -1036.5452 0.0000 0.0000 2630.9900 6171.1115 290.6002 3540.1215 6203.4026 295.8957 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: 1695.65, 0.00394498/step Wall: 1695.65, 0.00394498/step, 2.26968 hours remaining, 111.902344 MB of memory in use. ENERGY: 428800 680.6214 1827.0090 1982.1001 100.4372 0.5879 -1051.2944 0.0000 0.0000 2661.3232 6200.7844 293.9506 3539.4612 6230.5297 294.8304 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: 1696.43, 0.00394621/step Wall: 1696.43, 0.00394621/step, 2.27017 hours remaining, 111.902344 MB of memory in use. ENERGY: 429000 672.9025 1881.9981 1988.6791 130.1145 0.0885 -1041.7056 0.0000 0.0000 2619.2703 6251.3473 289.3057 3632.0770 6280.0422 297.4731 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: 1697.22, 0.00394379/step Wall: 1697.22, 0.00394379/step, 2.26855 hours remaining, 111.902344 MB of memory in use. ENERGY: 429200 663.7953 1874.4980 2008.4080 112.1048 0.7232 -1073.1680 0.0000 0.0000 2738.1825 6324.5438 302.4399 3586.3613 6356.2845 301.6194 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: 1698.01, 0.00394336/step Wall: 1698.01, 0.00394336/step, 2.26809 hours remaining, 111.902344 MB of memory in use. ENERGY: 429400 648.7169 1860.6919 1959.5256 111.5671 -0.9853 -1059.0306 0.0000 0.0000 2755.0669 6275.5525 304.3048 3520.4856 6306.7113 302.2407 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: 1698.8, 0.00394498/step Wall: 1698.8, 0.00394498/step, 2.2688 hours remaining, 111.902344 MB of memory in use. ENERGY: 429600 641.0748 1863.4709 1962.6066 118.8568 0.8493 -1068.0666 0.0000 0.0000 2731.5420 6250.3338 301.7064 3518.7918 6285.2952 299.7948 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: 1699.59, 0.00394916/step Wall: 1699.59, 0.00394916/step, 2.27098 hours remaining, 111.902344 MB of memory in use. ENERGY: 429800 675.5850 1841.1329 1968.4959 114.8171 0.7146 -1043.4131 0.0000 0.0000 2712.6532 6269.9856 299.6201 3557.3324 6306.0391 299.7239 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: 1700.38, 0.00394521/step Wall: 1700.38, 0.00394521/step, 2.2685 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 430000 670.0646 1833.2364 1987.2630 102.3670 0.6947 -1023.2091 0.0000 0.0000 2692.0007 6262.4173 297.3390 3570.4166 6293.1558 300.7050 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 430000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1701.24, 0.00432469/step Wall: 1701.24, 0.00432469/step, 2.48646 hours remaining, 111.902344 MB of memory in use. ENERGY: 430200 653.6881 1832.3180 1977.3066 100.9362 -0.1540 -1085.1755 0.0000 0.0000 2719.6613 6198.5807 300.3942 3478.9194 6231.0708 298.8300 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: 1702.04, 0.00395623/step Wall: 1702.04, 0.00395623/step, 2.2744 hours remaining, 111.902344 MB of memory in use. ENERGY: 430400 707.3978 1791.8328 1969.7825 103.6501 1.8704 -1078.1775 0.0000 0.0000 2749.7345 6246.0905 303.7158 3496.3560 6280.5214 298.4683 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: 1702.82, 0.00394258/step Wall: 1702.82, 0.00394258/step, 2.26632 hours remaining, 111.902344 MB of memory in use. ENERGY: 430600 653.4027 1842.3353 1974.1249 98.9451 0.8510 -1033.1312 0.0000 0.0000 2705.0733 6241.6011 298.7829 3536.5278 6277.9311 299.7012 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: 1703.61, 0.00394896/step Wall: 1703.61, 0.00394897/step, 2.26978 hours remaining, 111.902344 MB of memory in use. ENERGY: 430800 620.5225 1810.9790 1988.9945 108.3701 0.6417 -1043.1876 0.0000 0.0000 2734.0726 6220.3929 301.9859 3486.3202 6254.3961 300.6471 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: 1704.4, 0.00394845/step Wall: 1704.4, 0.00394845/step, 2.26926 hours remaining, 111.902344 MB of memory in use. ENERGY: 431000 667.2396 1810.1698 1992.0775 109.6211 0.3716 -1080.1066 0.0000 0.0000 2748.4959 6247.8689 303.5790 3499.3730 6284.2704 299.2617 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: 1705.19, 0.00395057/step Wall: 1705.19, 0.00395057/step, 2.27026 hours remaining, 111.902344 MB of memory in use. ENERGY: 431200 651.1218 1837.0053 1988.2787 104.2349 -0.1752 -1088.0747 0.0000 0.0000 2760.7511 6253.1419 304.9326 3492.3908 6288.3232 298.6825 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: 1705.98, 0.00394513/step Wall: 1705.98, 0.00394513/step, 2.26692 hours remaining, 111.902344 MB of memory in use. ENERGY: 431400 613.7503 1856.5681 1987.2381 93.4901 0.4566 -1029.9554 0.0000 0.0000 2717.2176 6238.7654 300.1242 3521.5479 6272.3951 299.2891 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: 1706.77, 0.00394451/step Wall: 1706.77, 0.00394451/step, 2.26634 hours remaining, 111.902344 MB of memory in use. ENERGY: 431600 619.5152 1846.7003 2014.8035 119.8243 0.6415 -1063.7382 0.0000 0.0000 2710.6575 6248.4041 299.3997 3537.7466 6280.9882 298.7627 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: 1707.56, 0.00394838/step Wall: 1707.56, 0.00394838/step, 2.26835 hours remaining, 111.902344 MB of memory in use. ENERGY: 431800 614.7267 1813.3736 2005.3091 104.1658 -0.1732 -1043.0706 0.0000 0.0000 2748.7780 6243.1093 303.6102 3494.3314 6277.5207 300.3605 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: 1708.35, 0.00394776/step Wall: 1708.35, 0.00394776/step, 2.26777 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 432000 627.0413 1930.7385 2026.7819 117.2155 0.2026 -1083.6567 0.0000 0.0000 2696.6850 6315.0080 297.8564 3618.3230 6348.7415 300.4778 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: 1709.14, 0.00395009/step Wall: 1709.14, 0.00395009/step, 2.26889 hours remaining, 111.902344 MB of memory in use. ENERGY: 432200 665.8917 1880.2444 2006.7386 118.3348 -0.8100 -1091.1907 0.0000 0.0000 2745.5429 6324.7517 303.2529 3579.2088 6356.3955 303.4491 LDB: ============= START OF LOAD BALANCING ============== 1712.1 LDB: ============== END OF LOAD BALANCING =============== 1712.1 LDB: =============== DONE WITH MIGRATION ================ 1712.1 LDB: ============= START OF LOAD BALANCING ============== 1712.5 LDB: ============== END OF LOAD BALANCING =============== 1712.5 LDB: =============== DONE WITH MIGRATION ================ 1712.5 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: 1709.93, 0.0039482/step Wall: 1709.93, 0.0039482/step, 2.26758 hours remaining, 111.902344 MB of memory in use. ENERGY: 432400 664.6493 1855.2161 1995.1084 103.5995 0.5015 -1066.8514 0.0000 0.0000 2776.0332 6328.2566 306.6206 3552.2234 6363.4556 305.5066 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: 1710.72, 0.00394803/step Wall: 1710.72, 0.00394803/step, 2.26727 hours remaining, 111.902344 MB of memory in use. ENERGY: 432600 656.1154 1851.1320 1977.3747 111.1694 -0.7581 -1073.8898 0.0000 0.0000 2738.5120 6259.6556 302.4763 3521.1436 6292.0752 301.4888 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: 1711.51, 0.00395023/step Wall: 1711.51, 0.00395023/step, 2.26831 hours remaining, 111.902344 MB of memory in use. ENERGY: 432800 650.5151 1866.7124 1990.9100 113.0654 0.9296 -1037.1234 0.0000 0.0000 2697.6811 6282.6902 297.9664 3585.0092 6314.2208 299.7571 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: 1712.3, 0.00395101/step Wall: 1712.3, 0.00395101/step, 2.26854 hours remaining, 111.902344 MB of memory in use. ENERGY: 433000 639.7359 1854.8365 2000.7502 102.5432 -0.7135 -1093.1130 0.0000 0.0000 2774.6564 6278.6957 306.4685 3504.0393 6310.4900 302.9669 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: 1713.09, 0.00395105/step Wall: 1713.09, 0.00395105/step, 2.26834 hours remaining, 111.902344 MB of memory in use. ENERGY: 433200 618.3976 1928.4661 1994.1518 100.2558 0.4087 -1073.2652 0.0000 0.0000 2674.9133 6243.3281 295.4516 3568.4148 6273.1064 301.3926 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: 1713.88, 0.00394256/step Wall: 1713.88, 0.00394256/step, 2.26325 hours remaining, 111.902344 MB of memory in use. ENERGY: 433400 670.6710 1814.1411 1984.0323 105.1815 0.5623 -1055.5581 0.0000 0.0000 2690.1492 6209.1792 297.1345 3519.0300 6243.6084 298.4382 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: 1714.67, 0.00395105/step Wall: 1714.67, 0.00395105/step, 2.2679 hours remaining, 111.902344 MB of memory in use. ENERGY: 433600 645.4594 1778.4896 2022.9963 115.1581 0.3824 -1091.0037 0.0000 0.0000 2750.6335 6222.1157 303.8151 3471.4822 6257.5945 298.3369 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: 1715.46, 0.00395067/step Wall: 1715.46, 0.00395067/step, 2.26747 hours remaining, 111.902344 MB of memory in use. ENERGY: 433800 672.5551 1848.3783 1997.9806 110.9597 0.7803 -1074.8429 0.0000 0.0000 2700.6113 6256.4225 298.2900 3555.8112 6290.3492 297.1577 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: 1716.25, 0.00394896/step Wall: 1716.25, 0.00394896/step, 2.26626 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 434000 645.3788 1840.6699 1992.8839 98.9053 0.1557 -1064.7551 0.0000 0.0000 2766.5829 6279.8215 305.5768 3513.2386 6314.1923 301.7791 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: 1717.04, 0.00394994/step Wall: 1717.04, 0.00394994/step, 2.26661 hours remaining, 111.902344 MB of memory in use. ENERGY: 434200 675.0074 1792.2188 1978.1175 88.1060 -0.0112 -1048.6013 0.0000 0.0000 2780.9485 6265.7857 307.1635 3484.8372 6301.2638 300.5784 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: 1717.83, 0.00394336/step Wall: 1717.83, 0.00394336/step, 2.26261 hours remaining, 111.902344 MB of memory in use. ENERGY: 434400 615.9528 1818.4070 2000.1166 106.0056 0.4445 -1027.6828 0.0000 0.0000 2760.4265 6273.6701 304.8968 3513.2437 6307.8793 301.3194 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: 1718.62, 0.00394937/step Wall: 1718.62, 0.00394937/step, 2.26584 hours remaining, 111.902344 MB of memory in use. ENERGY: 434600 642.5531 1833.9270 2001.1011 118.4464 -1.6847 -1041.5041 0.0000 0.0000 2734.6216 6287.4605 302.0466 3552.8389 6323.1314 302.3476 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: 1719.41, 0.00394867/step Wall: 1719.41, 0.00394867/step, 2.26522 hours remaining, 111.902344 MB of memory in use. ENERGY: 434800 639.6822 1839.8470 1992.4049 116.2543 -0.9201 -1070.3405 0.0000 0.0000 2750.9689 6267.8966 303.8522 3516.9278 6300.4109 300.9505 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: 1720.2, 0.00394673/step Wall: 1720.2, 0.00394673/step, 2.26389 hours remaining, 111.902344 MB of memory in use. ENERGY: 435000 652.7746 1847.8064 1991.1097 102.0220 -0.8300 -1050.0979 0.0000 0.0000 2737.8397 6280.6246 302.4020 3542.7848 6315.9870 299.8328 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: 1720.99, 0.0039476/step Wall: 1720.99, 0.0039476/step, 2.26417 hours remaining, 111.902344 MB of memory in use. ENERGY: 435200 653.3185 1910.0821 2005.2211 106.9084 -0.4950 -1082.4183 0.0000 0.0000 2646.6435 6239.2603 292.3291 3592.6168 6272.2812 299.6977 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: 1721.78, 0.00395055/step Wall: 1721.78, 0.00395055/step, 2.26564 hours remaining, 111.902344 MB of memory in use. ENERGY: 435400 652.4194 1784.3213 2004.3346 102.4219 -0.6265 -1095.9710 0.0000 0.0000 2724.4215 6171.3211 300.9199 3446.8996 6206.8959 297.2100 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: 1722.57, 0.00395259/step Wall: 1722.57, 0.00395259/step, 2.26659 hours remaining, 111.902344 MB of memory in use. ENERGY: 435600 644.7125 1849.9356 1998.9373 119.5974 -0.7879 -1068.9760 0.0000 0.0000 2660.0031 6203.4220 293.8048 3543.4189 6234.6051 296.2114 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: 1723.36, 0.00394989/step Wall: 1723.36, 0.00394989/step, 2.26483 hours remaining, 111.902344 MB of memory in use. ENERGY: 435800 652.4340 1839.9640 1965.0287 118.0262 -1.1335 -1076.6473 0.0000 0.0000 2712.7664 6210.4384 299.6326 3497.6721 6241.0377 296.4977 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: 1724.15, 0.00394725/step Wall: 1724.15, 0.00394725/step, 2.26309 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 436000 658.2577 1862.6252 1984.7538 108.2581 0.6265 -1053.4775 0.0000 0.0000 2663.1118 6224.1556 294.1481 3561.0438 6253.3201 298.2327 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: 1724.93, 0.00394027/step Wall: 1724.93, 0.00394027/step, 2.25887 hours remaining, 111.902344 MB of memory in use. ENERGY: 436200 656.9106 1855.7506 2010.1857 98.5803 0.4682 -1071.3828 0.0000 0.0000 2645.4606 6195.9731 292.1985 3550.5125 6229.3922 297.7763 LDB: ============= START OF LOAD BALANCING ============== 1727.89 LDB: ============== END OF LOAD BALANCING =============== 1727.89 LDB: =============== DONE WITH MIGRATION ================ 1727.9 LDB: ============= START OF LOAD BALANCING ============== 1728.29 LDB: ============== END OF LOAD BALANCING =============== 1728.29 LDB: =============== DONE WITH MIGRATION ================ 1728.29 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: 1725.73, 0.0039532/step Wall: 1725.73, 0.0039532/step, 2.26606 hours remaining, 111.902344 MB of memory in use. ENERGY: 436400 642.4679 1841.2716 1981.9660 105.9259 -0.3030 -1052.0020 0.0000 0.0000 2682.3268 6201.6532 296.2705 3519.3264 6234.4155 297.5837 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: 1726.52, 0.00394801/step Wall: 1726.52, 0.00394801/step, 2.26287 hours remaining, 111.902344 MB of memory in use. ENERGY: 436600 624.5798 1877.9665 2000.8018 113.0757 0.1907 -1075.2889 0.0000 0.0000 2599.9620 6141.2874 287.1730 3541.3255 6172.0278 296.5617 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: 1727.31, 0.00395075/step Wall: 1727.31, 0.00395075/step, 2.26422 hours remaining, 111.902344 MB of memory in use. ENERGY: 436800 689.6135 1769.6870 2018.1775 119.8774 -0.1042 -1076.4611 0.0000 0.0000 2643.2800 6164.0701 291.9576 3520.7901 6195.7161 294.2051 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: 1728.09, 0.00394683/step Wall: 1728.09, 0.00394683/step, 2.26175 hours remaining, 111.902344 MB of memory in use. ENERGY: 437000 627.4341 1815.4939 2009.5053 107.5265 0.6051 -1071.7842 0.0000 0.0000 2656.3316 6145.1123 293.3992 3488.7808 6177.9285 295.0666 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: 1728.88, 0.00394118/step Wall: 1728.88, 0.00394118/step, 2.2583 hours remaining, 111.902344 MB of memory in use. ENERGY: 437200 685.4401 1809.1323 2040.3684 115.9771 -0.2736 -1110.1958 0.0000 0.0000 2655.8240 6196.2726 293.3432 3540.4486 6227.2341 296.2791 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: 1729.67, 0.00395314/step Wall: 1729.67, 0.00395314/step, 2.26493 hours remaining, 111.902344 MB of memory in use. ENERGY: 437400 633.4357 1849.9092 1996.7801 113.0225 1.3389 -1056.8583 0.0000 0.0000 2657.6064 6195.2346 293.5400 3537.6282 6226.6293 297.7943 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: 1730.46, 0.00394964/step Wall: 1730.46, 0.00394964/step, 2.26271 hours remaining, 111.902344 MB of memory in use. ENERGY: 437600 674.4677 1836.9702 1990.4658 96.6047 0.7556 -1063.1783 0.0000 0.0000 2647.0957 6183.1815 292.3791 3536.0858 6215.8749 295.2116 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: 1731.25, 0.00395401/step Wall: 1731.25, 0.00395401/step, 2.26499 hours remaining, 111.902344 MB of memory in use. ENERGY: 437800 675.6979 1856.7159 2012.7222 98.9492 0.4667 -1083.4271 0.0000 0.0000 2680.1085 6241.2334 296.0255 3561.1248 6273.5997 297.7054 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: 1732.04, 0.00394647/step Wall: 1732.04, 0.00394647/step, 2.26045 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 438000 650.0362 1795.9786 2004.8793 100.9432 -0.9541 -1024.5242 0.0000 0.0000 2695.3430 6221.7020 297.7081 3526.3591 6251.5738 299.1863 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: 1732.83, 0.00394222/step Wall: 1732.83, 0.00394222/step, 2.2578 hours remaining, 111.902344 MB of memory in use. ENERGY: 438200 629.1540 1763.7746 1992.9080 105.4708 0.7079 -1051.5811 0.0000 0.0000 2711.8279 6152.2621 299.5289 3440.4342 6186.2653 295.4213 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: 1733.62, 0.0039484/step Wall: 1733.62, 0.0039484/step, 2.26111 hours remaining, 111.902344 MB of memory in use. ENERGY: 438400 613.8974 1829.6936 2014.4709 120.2887 -0.4261 -1052.9937 0.0000 0.0000 2624.5773 6149.5081 289.8919 3524.9308 6179.3403 292.7335 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: 1734.41, 0.00394592/step Wall: 1734.41, 0.00394592/step, 2.25948 hours remaining, 111.902344 MB of memory in use. ENERGY: 438600 651.4350 1770.3235 1981.3662 120.6475 0.4185 -1073.6208 0.0000 0.0000 2700.5152 6151.0852 298.2794 3450.5700 6183.1962 294.1683 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: 1735.2, 0.00394836/step Wall: 1735.2, 0.00394836/step, 2.26066 hours remaining, 111.902344 MB of memory in use. ENERGY: 438800 651.2697 1745.7205 1990.7201 112.4063 -0.1098 -1047.0347 0.0000 0.0000 2696.0676 6149.0398 297.7882 3452.9722 6183.6576 296.0686 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: 1735.99, 0.00393963/step Wall: 1735.99, 0.00393963/step, 2.25544 hours remaining, 111.902344 MB of memory in use. ENERGY: 439000 651.0426 1803.4089 1996.0293 91.4867 -0.2061 -1071.0002 0.0000 0.0000 2625.7158 6096.4770 290.0176 3470.7612 6126.2053 292.3143 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: 1736.78, 0.00394794/step Wall: 1736.78, 0.00394794/step, 2.25998 hours remaining, 111.902344 MB of memory in use. ENERGY: 439200 671.4169 1795.4469 1970.4552 114.8801 0.1763 -1079.3001 0.0000 0.0000 2670.3507 6143.4261 294.9477 3473.0754 6177.0897 292.8933 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: 1737.57, 0.00394918/step Wall: 1737.57, 0.00394918/step, 2.26047 hours remaining, 111.902344 MB of memory in use. ENERGY: 439400 632.6584 1786.9999 2009.0021 100.6188 0.7994 -1083.0981 0.0000 0.0000 2660.1351 6107.1155 293.8193 3446.9805 6139.2194 292.7905 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: 1738.36, 0.00395684/step Wall: 1738.36, 0.00395684/step, 2.26463 hours remaining, 111.902344 MB of memory in use. ENERGY: 439600 632.8273 1765.0612 1977.2990 107.9978 1.3364 -1084.0994 0.0000 0.0000 2735.1809 6135.6031 302.1083 3400.4222 6173.1942 293.4160 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: 1739.15, 0.00394764/step Wall: 1739.15, 0.00394764/step, 2.25915 hours remaining, 111.902344 MB of memory in use. ENERGY: 439800 630.3241 1837.8903 2002.1481 111.7537 0.8455 -1083.5203 0.0000 0.0000 2604.6338 6104.0752 287.6891 3499.4414 6135.3351 292.7771 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: 1739.94, 0.00394237/step Wall: 1739.94, 0.00394237/step, 2.25591 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 440000 638.3526 1821.8857 1979.1297 103.9819 2.1736 -1059.5600 0.0000 0.0000 2652.2662 6138.2296 292.9502 3485.9635 6170.3241 292.8725 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 440000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1740.76, 0.00411806/step Wall: 1740.76, 0.00411806/step, 2.35622 hours remaining, 111.902344 MB of memory in use. ENERGY: 440200 640.8681 1834.9027 1955.0928 106.1278 2.0950 -1014.1982 0.0000 0.0000 2626.3403 6151.2286 290.0866 3524.8882 6184.9073 294.8448 LDB: ============= START OF LOAD BALANCING ============== 1743.72 LDB: ============== END OF LOAD BALANCING =============== 1743.72 LDB: =============== DONE WITH MIGRATION ================ 1743.72 LDB: ============= START OF LOAD BALANCING ============== 1744.12 LDB: ============== END OF LOAD BALANCING =============== 1744.12 LDB: =============== DONE WITH MIGRATION ================ 1744.12 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: 1741.55, 0.00395123/step Wall: 1741.55, 0.00395123/step, 2.26055 hours remaining, 111.902344 MB of memory in use. ENERGY: 440400 669.6593 1792.5473 2015.1733 107.2432 1.7500 -1064.7014 0.0000 0.0000 2648.8023 6170.4739 292.5676 3521.6716 6204.0857 296.1969 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: 1742.34, 0.00394656/step Wall: 1742.34, 0.00394656/step, 2.25765 hours remaining, 111.902344 MB of memory in use. ENERGY: 440600 647.2748 1832.6021 1971.4318 103.8960 1.3931 -1049.8783 0.0000 0.0000 2685.0985 6191.8181 296.5766 3506.7196 6224.5684 295.0525 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: 1743.13, 0.00394543/step Wall: 1743.13, 0.00394543/step, 2.25679 hours remaining, 111.902344 MB of memory in use. ENERGY: 440800 636.0327 1781.1119 1984.3193 107.3286 0.7564 -1014.2776 0.0000 0.0000 2699.7402 6195.0115 298.1938 3495.2713 6227.2706 295.4226 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: 1743.92, 0.00393989/step Wall: 1743.92, 0.00393989/step, 2.2534 hours remaining, 111.902344 MB of memory in use. ENERGY: 441000 632.9716 1804.4485 2001.6327 111.6566 1.1936 -1063.4253 0.0000 0.0000 2716.4200 6204.8977 300.0362 3488.4777 6237.5938 296.0508 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: 1744.71, 0.00394752/step Wall: 1744.71, 0.00394752/step, 2.25754 hours remaining, 111.902344 MB of memory in use. ENERGY: 441200 644.3990 1813.6427 1981.5547 110.8522 0.3037 -1059.3252 0.0000 0.0000 2680.2991 6171.7261 296.0465 3491.4270 6203.9671 295.6692 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: 1745.5, 0.00394816/step Wall: 1745.5, 0.00394816/step, 2.25769 hours remaining, 111.902344 MB of memory in use. ENERGY: 441400 652.5975 1859.0279 1984.4104 107.9965 0.6243 -1088.8428 0.0000 0.0000 2714.0124 6229.8262 299.7702 3515.8137 6265.0957 296.2925 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: 1746.29, 0.00394745/step Wall: 1746.29, 0.00394745/step, 2.25707 hours remaining, 111.902344 MB of memory in use. ENERGY: 441600 665.9679 1823.2221 1970.8081 112.6955 0.2797 -1024.2736 0.0000 0.0000 2650.8873 6199.5869 292.7979 3548.6997 6231.8217 297.6593 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: 1747.08, 0.00394794/step Wall: 1747.08, 0.00394794/step, 2.25712 hours remaining, 111.902344 MB of memory in use. ENERGY: 441800 644.9596 1822.9791 1983.6860 98.7878 1.7067 -1065.3540 0.0000 0.0000 2731.7880 6218.5533 301.7336 3486.7653 6251.8316 297.8117 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: 1747.86, 0.00394102/step Wall: 1747.86, 0.00394102/step, 2.25295 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 442000 660.6871 1859.9210 1989.5303 106.3160 1.2176 -1062.9480 0.0000 0.0000 2778.9701 6333.6941 306.9450 3554.7241 6369.9956 299.8616 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: 1748.65, 0.00394624/step Wall: 1748.65, 0.00394624/step, 2.25572 hours remaining, 111.902344 MB of memory in use. ENERGY: 442200 675.7343 1859.5654 1974.7500 107.0898 1.0569 -1044.9450 0.0000 0.0000 2730.6613 6303.9128 301.6091 3573.2515 6338.7786 302.0399 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: 1749.44, 0.00394978/step Wall: 1749.44, 0.00394978/step, 2.25752 hours remaining, 111.902344 MB of memory in use. ENERGY: 442400 661.2585 1882.9906 1978.7223 113.8173 0.9113 -1038.3584 0.0000 0.0000 2683.8673 6283.2090 296.4406 3599.3416 6312.4831 299.8547 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: 1750.23, 0.00394922/step Wall: 1750.23, 0.00394922/step, 2.25698 hours remaining, 111.902344 MB of memory in use. ENERGY: 442600 673.0754 1869.4534 2016.4278 110.9391 0.7264 -1069.5591 0.0000 0.0000 2686.9227 6287.9859 296.7781 3601.0631 6319.7290 299.4966 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: 1751.02, 0.00394373/step Wall: 1751.02, 0.00394373/step, 2.25362 hours remaining, 111.902344 MB of memory in use. ENERGY: 442800 683.3833 1866.3759 2002.0763 98.1104 0.3093 -1057.7879 0.0000 0.0000 2703.0279 6295.4952 298.5570 3592.4673 6325.3135 302.2094 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: 1751.81, 0.00394865/step Wall: 1751.81, 0.00394865/step, 2.25621 hours remaining, 111.902344 MB of memory in use. ENERGY: 443000 666.1038 1927.3485 1991.7324 112.0164 1.1942 -1062.9881 0.0000 0.0000 2697.3170 6332.7243 297.9262 3635.4073 6362.8203 302.4983 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: 1752.6, 0.0039491/step Wall: 1752.6, 0.0039491/step, 2.25625 hours remaining, 111.902344 MB of memory in use. ENERGY: 443200 645.6314 1864.5712 1962.8541 120.4599 0.7530 -1062.7371 0.0000 0.0000 2762.4474 6293.9799 305.1200 3531.5325 6328.7293 300.1463 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: 1753.39, 0.00394974/step Wall: 1753.39, 0.00394974/step, 2.2564 hours remaining, 111.902344 MB of memory in use. ENERGY: 443400 645.9066 1840.7629 1978.6346 113.7508 -0.1010 -1039.4838 0.0000 0.0000 2763.1721 6302.6421 305.2001 3539.4700 6337.4557 303.6358 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: 1754.18, 0.00395002/step Wall: 1754.18, 0.00395002/step, 2.25634 hours remaining, 111.902344 MB of memory in use. ENERGY: 443600 637.2969 1848.3295 1994.3283 107.2117 -0.1946 -1063.9819 0.0000 0.0000 2770.4354 6293.4254 306.0023 3522.9900 6329.2365 302.1798 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: 1754.97, 0.00394367/step Wall: 1754.97, 0.00394367/step, 2.25249 hours remaining, 111.902344 MB of memory in use. ENERGY: 443800 681.6164 1875.6007 2006.4324 107.5431 1.0094 -1107.4806 0.0000 0.0000 2742.3515 6307.0730 302.9004 3564.7215 6339.8661 300.7592 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: 1755.76, 0.00394891/step Wall: 1755.76, 0.00394891/step, 2.25527 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 444000 637.2531 1814.5102 1964.5088 119.7027 -0.3582 -1050.5188 0.0000 0.0000 2752.3457 6237.4435 304.0043 3485.0978 6275.8582 300.9189 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: 1756.55, 0.00394725/step Wall: 1756.55, 0.00394725/step, 2.2541 hours remaining, 111.902344 MB of memory in use. ENERGY: 444200 686.9543 1838.8810 2029.7226 93.2509 -1.1278 -1097.6788 0.0000 0.0000 2653.3096 6203.3117 293.0654 3550.0021 6232.4656 297.8856 LDB: ============= START OF LOAD BALANCING ============== 1759.51 LDB: ============== END OF LOAD BALANCING =============== 1759.51 LDB: =============== DONE WITH MIGRATION ================ 1759.51 LDB: ============= START OF LOAD BALANCING ============== 1759.9 LDB: ============== END OF LOAD BALANCING =============== 1759.9 LDB: =============== DONE WITH MIGRATION ================ 1759.9 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: 1757.34, 0.00395225/step Wall: 1757.34, 0.00395225/step, 2.25674 hours remaining, 111.902344 MB of memory in use. ENERGY: 444400 612.1695 1808.3482 1982.2029 107.3999 -0.1452 -1059.7432 0.0000 0.0000 2750.2155 6200.4477 303.7690 3450.2321 6239.3021 296.7035 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: 1758.13, 0.00394824/step Wall: 1758.13, 0.00394824/step, 2.25423 hours remaining, 111.902344 MB of memory in use. ENERGY: 444600 658.7712 1843.6211 1984.3227 113.1299 -0.7303 -1070.3911 0.0000 0.0000 2662.9941 6191.7175 294.1351 3528.7234 6221.7529 296.9447 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: 1758.92, 0.00394138/step Wall: 1758.92, 0.00394138/step, 2.25009 hours remaining, 111.902344 MB of memory in use. ENERGY: 444800 640.5871 1824.2496 1975.1957 112.7921 -1.7862 -1065.1425 0.0000 0.0000 2667.5675 6153.4633 294.6403 3485.8958 6189.2814 295.8380 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: 1759.71, 0.00394775/step Wall: 1759.71, 0.00394775/step, 2.25351 hours remaining, 111.902344 MB of memory in use. ENERGY: 445000 654.1074 1833.0138 1980.0139 108.4845 -1.3876 -1060.1748 0.0000 0.0000 2691.6919 6205.7492 297.3049 3514.0572 6239.7793 296.4283 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: 1760.5, 0.00394954/step Wall: 1760.5, 0.00394954/step, 2.25431 hours remaining, 111.902344 MB of memory in use. ENERGY: 445200 604.2835 1858.5379 1971.4823 105.2531 -0.7557 -1051.9045 0.0000 0.0000 2731.7451 6218.6417 301.7289 3486.8966 6255.3054 296.3555 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: 1761.29, 0.00394832/step Wall: 1761.29, 0.00394832/step, 2.2534 hours remaining, 111.902344 MB of memory in use. ENERGY: 445400 639.8517 1842.4071 1958.6477 121.8037 -0.4666 -1088.0851 0.0000 0.0000 2745.3740 6219.5325 303.2342 3474.1585 6251.7951 297.4730 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: 1762.08, 0.00394352/step Wall: 1762.08, 0.00394352/step, 2.25044 hours remaining, 111.902344 MB of memory in use. ENERGY: 445600 667.8647 1861.8698 1981.8353 103.5022 -0.5901 -1082.7149 0.0000 0.0000 2725.8258 6257.5927 301.0751 3531.7669 6289.4650 299.5829 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: 1762.86, 0.00394643/step Wall: 1762.86, 0.00394643/step, 2.25188 hours remaining, 111.902344 MB of memory in use. ENERGY: 445800 687.4530 1838.7352 1966.8642 105.8540 -1.2821 -1075.8463 0.0000 0.0000 2749.0720 6270.8500 303.6427 3521.7780 6302.7103 300.3690 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: 1763.65, 0.00394812/step Wall: 1763.65, 0.00394812/step, 2.25262 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 446000 641.2881 1835.4464 1990.6392 102.9088 -0.9117 -1053.3026 0.0000 0.0000 2768.2700 6284.3381 305.7631 3516.0681 6318.1603 300.4679 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: 1764.44, 0.00394863/step Wall: 1764.44, 0.00394863/step, 2.25269 hours remaining, 111.902344 MB of memory in use. ENERGY: 446200 651.1791 1886.1014 1985.8584 108.8165 0.1069 -1032.4514 0.0000 0.0000 2675.4576 6275.0686 295.5117 3599.6110 6308.8931 299.9481 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: 1765.23, 0.00394949/step Wall: 1765.23, 0.00394949/step, 2.25296 hours remaining, 111.902344 MB of memory in use. ENERGY: 446400 620.1419 1848.8608 2006.9439 97.0973 0.3720 -1062.4263 0.0000 0.0000 2707.6728 6218.6624 299.0700 3510.9896 6254.2407 298.2910 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: 1766.02, 0.00394167/step Wall: 1766.02, 0.00394167/step, 2.24829 hours remaining, 111.902344 MB of memory in use. ENERGY: 446600 631.4693 1880.5725 1984.2985 112.9045 0.5637 -1075.8839 0.0000 0.0000 2680.2196 6214.1442 296.0377 3533.9246 6248.3088 296.7405 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: 1766.81, 0.00394508/step Wall: 1766.81, 0.00394508/step, 2.25001 hours remaining, 111.902344 MB of memory in use. ENERGY: 446800 629.3460 1838.7758 1975.6265 105.6605 0.9575 -1044.4276 0.0000 0.0000 2665.8623 6171.8010 294.4519 3505.9388 6205.6537 296.5016 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: 1767.6, 0.00394668/step Wall: 1767.6, 0.00394668/step, 2.25071 hours remaining, 111.902344 MB of memory in use. ENERGY: 447000 613.3195 1799.0393 2001.3301 107.9895 0.5890 -1020.6635 0.0000 0.0000 2612.2134 6113.8174 288.5262 3501.6040 6148.3303 294.8413 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: 1768.39, 0.00394761/step Wall: 1768.39, 0.00394761/step, 2.25102 hours remaining, 111.902344 MB of memory in use. ENERGY: 447200 653.5107 1829.0454 1994.5204 103.8420 -0.1221 -1055.5845 0.0000 0.0000 2646.1041 6171.3159 292.2696 3525.2119 6204.0362 292.9824 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: 1769.18, 0.003948/step Wall: 1769.18, 0.003948/step, 2.25102 hours remaining, 111.902344 MB of memory in use. ENERGY: 447400 643.6134 1764.8329 2008.1023 113.4359 -0.1244 -1053.7208 0.0000 0.0000 2692.3849 6168.5241 297.3814 3476.1392 6204.0076 295.2581 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: 1769.97, 0.00394117/step Wall: 1769.97, 0.00394117/step, 2.2469 hours remaining, 111.902344 MB of memory in use. ENERGY: 447600 657.5807 1839.7681 2010.7005 120.1069 -0.0344 -1092.0745 0.0000 0.0000 2662.8156 6198.8629 294.1154 3536.0472 6230.1232 296.0135 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: 1770.76, 0.00394879/step Wall: 1770.76, 0.00394879/step, 2.25103 hours remaining, 111.902344 MB of memory in use. ENERGY: 447800 643.5963 1800.6658 1987.6586 94.9028 0.3088 -1080.8038 0.0000 0.0000 2712.6373 6158.9657 299.6183 3446.3284 6191.8133 294.9938 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: 1771.55, 0.00395081/step Wall: 1771.55, 0.00395081/step, 2.25196 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 448000 630.3289 1841.8023 2019.1622 113.3797 0.1390 -1101.5116 0.0000 0.0000 2674.5095 6177.8100 295.4070 3503.3005 6208.9193 294.9943 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: 1772.34, 0.00394891/step Wall: 1772.34, 0.00394891/step, 2.25066 hours remaining, 111.902344 MB of memory in use. ENERGY: 448200 664.2255 1859.2315 1995.8505 106.6471 -0.4074 -1057.5245 0.0000 0.0000 2682.7904 6250.8131 296.3217 3568.0227 6284.0447 297.9049 LDB: ============= START OF LOAD BALANCING ============== 1775.3 LDB: ============== END OF LOAD BALANCING =============== 1775.3 LDB: =============== DONE WITH MIGRATION ================ 1775.3 LDB: ============= START OF LOAD BALANCING ============== 1775.69 LDB: ============== END OF LOAD BALANCING =============== 1775.69 LDB: =============== DONE WITH MIGRATION ================ 1775.69 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: 1773.13, 0.00395342/step Wall: 1773.13, 0.00395342/step, 2.25301 hours remaining, 111.902344 MB of memory in use. ENERGY: 448400 636.6012 1812.9817 1993.0972 109.0520 -1.2137 -1081.4769 0.0000 0.0000 2763.0817 6232.1232 305.1901 3469.0415 6267.3394 298.4097 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: 1773.92, 0.00394176/step Wall: 1773.92, 0.00394176/step, 2.24615 hours remaining, 111.902344 MB of memory in use. ENERGY: 448600 622.8036 1848.5914 1997.8849 102.5801 -0.5536 -1033.4316 0.0000 0.0000 2757.1940 6295.0688 304.5398 3537.8748 6330.6126 299.3466 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: 1774.71, 0.00394834/step Wall: 1774.71, 0.00394834/step, 2.24967 hours remaining, 111.902344 MB of memory in use. ENERGY: 448800 642.5582 1875.2903 2022.2210 106.7490 0.1268 -1077.9344 0.0000 0.0000 2748.4150 6317.4259 303.5701 3569.0109 6350.2958 302.2156 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: 1775.5, 0.00394958/step Wall: 1775.5, 0.00394958/step, 2.25017 hours remaining, 111.902344 MB of memory in use. ENERGY: 449000 655.4083 1871.8818 2004.8825 98.1176 -0.0101 -1039.8211 0.0000 0.0000 2758.3660 6348.8250 304.6692 3590.4589 6385.5213 304.7411 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: 1776.29, 0.00394782/step Wall: 1776.29, 0.00394782/step, 2.24894 hours remaining, 111.902344 MB of memory in use. ENERGY: 449200 689.4618 1824.5216 1953.6768 114.9432 -0.9640 -1024.9682 0.0000 0.0000 2767.7869 6324.4580 305.7098 3556.6711 6358.0209 303.6936 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: 1777.07, 0.00394453/step Wall: 1777.07, 0.00394453/step, 2.24685 hours remaining, 111.902344 MB of memory in use. ENERGY: 449400 645.7734 1807.1583 2004.5186 105.3624 -0.1818 -1030.3006 0.0000 0.0000 2782.7503 6315.0806 307.3625 3532.3303 6349.8894 301.5496 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: 1777.86, 0.0039488/step Wall: 1777.86, 0.0039488/step, 2.24906 hours remaining, 111.902344 MB of memory in use. ENERGY: 449600 678.1098 1876.6896 2011.9213 111.8499 -0.9387 -1064.2839 0.0000 0.0000 2686.9962 6300.3441 296.7862 3613.3479 6330.5356 301.5935 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: 1778.66, 0.00395841/step Wall: 1778.66, 0.00395841/step, 2.25432 hours remaining, 111.902344 MB of memory in use. ENERGY: 449800 675.1909 1844.2100 1983.6960 107.4787 -0.3459 -1029.6657 0.0000 0.0000 2682.4238 6262.9877 296.2812 3580.5639 6296.0223 301.7329 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: 1779.45, 0.00394933/step Wall: 1779.45, 0.00394933/step, 2.24892 hours remaining, 111.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 450000 676.5938 1808.8702 2016.8772 110.5734 -1.5818 -1060.1274 0.0000 0.0000 2726.7463 6277.9518 301.1767 3551.2055 6310.9255 299.2307 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 450000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1780.27, 0.00412381/step Wall: 1780.27, 0.00412381/step, 2.34805 hours remaining, 111.902344 MB of memory in use. ENERGY: 450200 667.1517 1885.0056 1991.7797 106.8625 -1.3234 -1076.7453 0.0000 0.0000 2699.4234 6272.1542 298.1588 3572.7308 6303.7699 300.3859 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: 1781.06, 0.00395839/step Wall: 1781.06, 0.00395839/step, 2.25365 hours remaining, 111.906250 MB of memory in use. ENERGY: 450400 663.7877 1840.7402 1983.7149 103.6772 -0.0251 -1093.0486 0.0000 0.0000 2761.4339 6260.2803 305.0081 3498.8464 6295.7358 300.1694 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: 1781.85, 0.00395095/step Wall: 1781.85, 0.00395095/step, 2.24919 hours remaining, 111.906250 MB of memory in use. ENERGY: 450600 665.5338 1866.2450 1978.5123 113.6135 -0.4479 -1070.6690 0.0000 0.0000 2711.8230 6264.6107 299.5284 3552.7877 6297.2716 301.5142 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: 1782.64, 0.00395171/step Wall: 1782.64, 0.00395171/step, 2.2494 hours remaining, 111.906250 MB of memory in use. ENERGY: 450800 681.6366 1822.0130 2015.2899 118.2018 -0.4072 -1071.0012 0.0000 0.0000 2756.8019 6322.5349 304.4964 3565.7330 6357.1138 301.5643 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: 1783.43, 0.00394933/step Wall: 1783.43, 0.00394933/step, 2.24783 hours remaining, 111.906250 MB of memory in use. ENERGY: 451000 691.0948 1852.1429 2020.1547 101.5322 -0.9167 -1055.4810 0.0000 0.0000 2687.6955 6296.2224 296.8635 3608.5269 6327.9017 301.0750 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: 1784.22, 0.00394832/step Wall: 1784.22, 0.00394832/step, 2.24703 hours remaining, 111.906250 MB of memory in use. ENERGY: 451200 673.8954 1848.6977 2022.2352 110.2365 -0.3889 -1048.6194 0.0000 0.0000 2693.4658 6299.5222 297.5008 3606.0564 6330.1095 302.9252 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: 1785.01, 0.00394322/step Wall: 1785.01, 0.00394322/step, 2.24391 hours remaining, 111.906250 MB of memory in use. ENERGY: 451400 667.7868 1891.5138 1988.2430 103.7109 -1.9182 -1053.1423 0.0000 0.0000 2755.3432 6351.5373 304.3353 3596.1940 6383.1016 303.7102 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: 1785.8, 0.00394978/step Wall: 1785.8, 0.00394978/step, 2.24742 hours remaining, 111.906250 MB of memory in use. ENERGY: 451600 630.8909 1835.5598 1961.0047 107.6506 -0.1273 -1030.0474 0.0000 0.0000 2839.0233 6343.9546 313.5780 3504.9313 6381.4999 304.1416 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: 1786.59, 0.00394966/step Wall: 1786.59, 0.00394966/step, 2.24714 hours remaining, 111.906250 MB of memory in use. ENERGY: 451800 644.9966 1931.1585 1970.6998 102.4608 -0.2395 -1072.6855 0.0000 0.0000 2783.9505 6360.3412 307.4951 3576.3907 6393.5739 304.9990 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: 1787.38, 0.00394841/step Wall: 1787.38, 0.00394841/step, 2.24621 hours remaining, 111.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 452000 649.2043 1873.7707 2000.9768 100.0847 -0.8542 -1056.5722 0.0000 0.0000 2759.3786 6325.9885 304.7810 3566.6100 6359.1236 304.7154 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: 1788.17, 0.00394886/step Wall: 1788.17, 0.00394886/step, 2.24624 hours remaining, 111.906250 MB of memory in use. ENERGY: 452200 655.7991 1864.2735 1994.0975 104.4345 -1.5812 -1071.8412 0.0000 0.0000 2771.9954 6317.1777 306.1746 3545.1823 6352.6055 303.2575 LDB: ============= START OF LOAD BALANCING ============== 1791.13 LDB: ============== END OF LOAD BALANCING =============== 1791.13 LDB: =============== DONE WITH MIGRATION ================ 1791.13 LDB: ============= START OF LOAD BALANCING ============== 1791.52 LDB: ============== END OF LOAD BALANCING =============== 1791.52 LDB: =============== DONE WITH MIGRATION ================ 1791.52 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: 1788.96, 0.00394863/step Wall: 1788.96, 0.00394863/step, 2.24589 hours remaining, 111.906250 MB of memory in use. ENERGY: 452400 694.9583 1835.1973 1986.9650 108.9762 -0.4420 -1082.9684 0.0000 0.0000 2765.8615 6308.5479 305.4971 3542.6864 6341.9746 304.1121 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: 1789.75, 0.00394928/step Wall: 1789.75, 0.00394928/step, 2.24604 hours remaining, 111.906250 MB of memory in use. ENERGY: 452600 628.7816 1807.3012 1995.7200 106.1542 0.4897 -1091.2026 0.0000 0.0000 2740.8239 6188.0679 302.7316 3447.2440 6223.5546 300.0865 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: 1790.54, 0.00394784/step Wall: 1790.54, 0.00394784/step, 2.245 hours remaining, 111.906250 MB of memory in use. ENERGY: 452800 655.5740 1798.8539 2002.8063 128.8844 0.7504 -1083.7541 0.0000 0.0000 2658.6511 6161.7661 293.6554 3503.1149 6193.5380 296.2009 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: 1791.33, 0.00394807/step Wall: 1791.33, 0.00394807/step, 2.24491 hours remaining, 111.906250 MB of memory in use. ENERGY: 453000 659.4641 1842.3713 1996.0703 103.2968 -0.3734 -1077.1855 0.0000 0.0000 2706.1143 6229.7580 298.8979 3523.6437 6261.6495 296.5271 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: 1792.12, 0.00394297/step Wall: 1792.12, 0.00394297/step, 2.2418 hours remaining, 111.906250 MB of memory in use. ENERGY: 453200 660.8059 1838.1828 1991.9458 105.2238 -1.4720 -1107.6131 0.0000 0.0000 2719.6928 6206.7660 300.3976 3487.0732 6240.6093 299.3842 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: 1792.91, 0.0039484/step Wall: 1792.91, 0.0039484/step, 2.24467 hours remaining, 111.906250 MB of memory in use. ENERGY: 453400 664.8494 1899.7629 2002.0719 107.2899 0.1193 -1111.8597 0.0000 0.0000 2629.4577 6191.6914 290.4309 3562.2337 6221.3721 296.2376 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: 1793.7, 0.00394883/step Wall: 1793.7, 0.00394882/step, 2.24468 hours remaining, 111.906250 MB of memory in use. ENERGY: 453600 645.6049 1877.3920 1994.5827 99.6716 -0.9703 -1056.5658 0.0000 0.0000 2605.0742 6164.7893 287.7377 3559.7151 6196.6123 294.1911 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: 1794.49, 0.00394716/step Wall: 1794.49, 0.00394717/step, 2.24352 hours remaining, 111.906250 MB of memory in use. ENERGY: 453800 647.4926 1794.4045 1997.8146 100.1098 0.5500 -1040.2981 0.0000 0.0000 2692.9837 6193.0570 297.4475 3500.0734 6226.8538 296.7309 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: 1795.28, 0.00394754/step Wall: 1795.28, 0.00394754/step, 2.24352 hours remaining, 111.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 454000 650.4814 1787.6266 2006.2382 98.9403 -0.5450 -1044.2611 0.0000 0.0000 2654.2539 6152.7343 293.1697 3498.4804 6184.1275 293.8790 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: 1796.06, 0.0039413/step Wall: 1796.06, 0.0039413/step, 2.23975 hours remaining, 111.906250 MB of memory in use. ENERGY: 454200 674.1303 1806.8960 2007.2844 106.5618 -0.8911 -1048.7048 0.0000 0.0000 2698.5384 6243.8150 298.0611 3545.2766 6275.7008 296.9961 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: 1796.85, 0.00394637/step Wall: 1796.85, 0.00394637/step, 2.24242 hours remaining, 111.906250 MB of memory in use. ENERGY: 454400 639.9107 1838.1956 1996.6863 106.6799 -0.0484 -1074.9106 0.0000 0.0000 2732.7816 6239.2951 301.8433 3506.5135 6272.1903 299.8554 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: 1797.64, 0.00394663/step Wall: 1797.64, 0.00394663/step, 2.24234 hours remaining, 111.906250 MB of memory in use. ENERGY: 454600 644.5068 1832.3870 1973.1082 103.9758 0.7174 -1050.1449 0.0000 0.0000 2710.6601 6215.2103 299.4000 3504.5502 6248.8109 298.3956 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: 1798.43, 0.00394683/step Wall: 1798.43, 0.00394683/step, 2.24224 hours remaining, 111.906250 MB of memory in use. ENERGY: 454800 633.9646 1821.1125 2003.1672 106.0173 -0.5466 -1061.0070 0.0000 0.0000 2726.0328 6228.7408 301.0979 3502.7080 6260.9373 297.0128 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: 1799.22, 0.00394636/step Wall: 1799.22, 0.00394636/step, 2.24175 hours remaining, 111.906250 MB of memory in use. ENERGY: 455000 651.0252 1819.0095 2001.9994 96.5612 -0.0024 -1058.9143 0.0000 0.0000 2695.0179 6204.6965 297.6722 3509.6786 6237.7153 296.6006 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: 1800.01, 0.0039418/step Wall: 1800.01, 0.0039418/step, 2.23894 hours remaining, 111.906250 MB of memory in use. ENERGY: 455200 675.0620 1776.1204 1993.8273 113.0306 -0.9780 -1064.7243 0.0000 0.0000 2730.3240 6222.6621 301.5719 3492.3380 6258.1575 298.3468 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: 1800.8, 0.00394603/step Wall: 1800.8, 0.00394603/step, 2.24113 hours remaining, 111.906250 MB of memory in use. ENERGY: 455400 682.5485 1777.6087 1993.0366 121.7551 -0.3939 -1119.1645 0.0000 0.0000 2791.2662 6246.6567 308.3031 3455.3906 6279.8764 299.1957 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: 1801.59, 0.00394476/step Wall: 1801.59, 0.00394476/step, 2.24019 hours remaining, 111.906250 MB of memory in use. ENERGY: 455600 656.5639 1853.4896 2004.6771 119.0266 -1.0297 -1042.1247 0.0000 0.0000 2661.3469 6251.9496 293.9532 3590.6027 6285.4412 299.0255 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: 1802.38, 0.00394431/step Wall: 1802.38, 0.00394431/step, 2.23971 hours remaining, 111.906250 MB of memory in use. ENERGY: 455800 683.6498 1875.1055 1986.3035 122.8093 0.3565 -1083.5928 0.0000 0.0000 2703.5015 6288.1332 298.6093 3584.6317 6320.1713 299.0247 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: 1803.17, 0.00394275/step Wall: 1803.17, 0.00394275/step, 2.23861 hours remaining, 111.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 456000 652.9509 1846.6263 1974.7844 109.6908 -0.9863 -1048.1001 0.0000 0.0000 2732.5467 6267.5127 301.8174 3534.9660 6297.2059 299.9576 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: 1803.95, 0.00394154/step Wall: 1803.95, 0.00394154/step, 2.2377 hours remaining, 111.906250 MB of memory in use. ENERGY: 456200 604.6648 1869.8307 1978.4239 122.8376 0.7386 -1047.7179 0.0000 0.0000 2758.2185 6286.9963 304.6529 3528.7778 6319.1478 301.5610 LDB: ============= START OF LOAD BALANCING ============== 1806.91 LDB: ============== END OF LOAD BALANCING =============== 1806.91 LDB: =============== DONE WITH MIGRATION ================ 1806.91 LDB: ============= START OF LOAD BALANCING ============== 1807.31 LDB: ============== END OF LOAD BALANCING =============== 1807.31 LDB: =============== DONE WITH MIGRATION ================ 1807.31 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: 1804.74, 0.00394937/step Wall: 1804.74, 0.00394937/step, 2.24193 hours remaining, 111.906250 MB of memory in use. ENERGY: 456400 686.1501 1875.2046 1993.0650 110.6224 -0.0292 -1070.2431 0.0000 0.0000 2693.6892 6288.4590 297.5255 3594.7698 6319.5572 302.2589 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: 1805.53, 0.00394657/step Wall: 1805.53, 0.00394657/step, 2.24011 hours remaining, 111.906250 MB of memory in use. ENERGY: 456600 636.0382 1826.6251 1990.2121 102.6185 -0.1896 -1040.3883 0.0000 0.0000 2684.5270 6199.4431 296.5135 3514.9161 6231.4282 299.5720 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: 1806.32, 0.00394565/step Wall: 1806.32, 0.00394565/step, 2.23938 hours remaining, 111.906250 MB of memory in use. ENERGY: 456800 678.9423 1800.0557 1964.5318 106.9677 0.0075 -1037.9022 0.0000 0.0000 2700.6726 6213.2754 298.2968 3512.6029 6243.8036 296.9366 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: 1807.11, 0.00394269/step Wall: 1807.11, 0.00394269/step, 2.23748 hours remaining, 111.906250 MB of memory in use. ENERGY: 457000 649.3053 1837.7238 1994.7351 114.1660 -0.1368 -1043.6762 0.0000 0.0000 2657.6032 6209.7205 293.5397 3552.1173 6242.5714 296.6796 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: 1807.9, 0.00394381/step Wall: 1807.9, 0.00394381/step, 2.23789 hours remaining, 111.906250 MB of memory in use. ENERGY: 457200 623.1598 1834.6678 2005.6881 117.7567 0.5436 -1061.0041 0.0000 0.0000 2728.9743 6249.7862 301.4228 3520.8120 6285.8076 298.6666 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: 1808.69, 0.00394519/step Wall: 1808.69, 0.00394519/step, 2.23846 hours remaining, 111.906250 MB of memory in use. ENERGY: 457400 642.0754 1806.7289 1990.9460 103.0706 -0.6024 -1023.2052 0.0000 0.0000 2707.3873 6226.4006 299.0385 3519.0133 6259.0324 299.9387 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: 1809.48, 0.00394488/step Wall: 1809.48, 0.00394488/step, 2.23806 hours remaining, 111.906250 MB of memory in use. ENERGY: 457600 649.7945 1808.7635 2017.0209 93.1830 0.7105 -1062.8319 0.0000 0.0000 2713.5443 6220.1849 299.7185 3506.6405 6252.1151 299.0890 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: 1810.27, 0.00394377/step Wall: 1810.27, 0.00394377/step, 2.23721 hours remaining, 112.027344 MB of memory in use. ENERGY: 457800 647.8962 1823.6556 1966.1481 108.9776 -0.5606 -1070.1695 0.0000 0.0000 2755.4662 6231.4135 304.3489 3475.9473 6264.6978 299.3528 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: 1811.06, 0.00394327/step Wall: 1811.06, 0.00394327/step, 2.23671 hours remaining, 112.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 458000 648.0238 1863.9862 1993.9511 103.4808 0.5602 -1090.6323 0.0000 0.0000 2691.0201 6210.3899 297.2307 3519.3698 6242.1071 297.7292 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: 1811.84, 0.00394389/step Wall: 1811.84, 0.00394389/step, 2.23684 hours remaining, 112.027344 MB of memory in use. ENERGY: 458200 676.3419 1803.9990 2012.2615 112.7182 1.3779 -1063.1651 0.0000 0.0000 2696.3169 6239.8502 297.8157 3543.5334 6269.6712 298.2884 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: 1812.63, 0.00394748/step Wall: 1812.63, 0.00394748/step, 2.23866 hours remaining, 112.027344 MB of memory in use. ENERGY: 458400 690.5294 1862.6529 2004.3063 115.0647 0.4178 -1066.3153 0.0000 0.0000 2720.2382 6326.8941 300.4579 3606.6558 6359.8074 300.3242 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: 1813.42, 0.00394876/step Wall: 1813.42, 0.00394876/step, 2.23917 hours remaining, 112.027344 MB of memory in use. ENERGY: 458600 674.1824 1891.7544 1986.5210 100.0298 0.3116 -1084.1323 0.0000 0.0000 2747.6544 6316.3211 303.4861 3568.6667 6349.8568 302.7408 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: 1814.21, 0.00394843/step Wall: 1814.21, 0.00394843/step, 2.23876 hours remaining, 112.027344 MB of memory in use. ENERGY: 458800 663.0661 1885.8492 2006.0226 105.5513 0.0771 -1056.6568 0.0000 0.0000 2711.3516 6315.2611 299.4763 3603.9094 6346.6821 303.0935 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: 1815, 0.00394145/step Wall: 1815, 0.00394145/step, 2.23459 hours remaining, 112.027344 MB of memory in use. ENERGY: 459000 669.4331 1890.6673 2006.2141 110.9753 0.3377 -1083.2890 0.0000 0.0000 2734.7407 6329.0792 302.0597 3594.3385 6365.4829 303.0219 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: 1815.79, 0.00394873/step Wall: 1815.79, 0.00394873/step, 2.23849 hours remaining, 112.027344 MB of memory in use. ENERGY: 459200 664.3007 1855.7850 2007.0968 112.2141 -0.5750 -1060.3412 0.0000 0.0000 2801.7104 6380.1908 309.4567 3578.4804 6414.3052 305.7758 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: 1816.58, 0.00394688/step Wall: 1816.58, 0.00394688/step, 2.23722 hours remaining, 112.027344 MB of memory in use. ENERGY: 459400 649.2315 1875.9004 2003.9440 107.1144 -0.7820 -1071.3171 0.0000 0.0000 2747.0546 6311.1457 303.4198 3564.0911 6344.0493 304.8548 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: 1817.37, 0.00394831/step Wall: 1817.37, 0.00394832/step, 2.23782 hours remaining, 112.027344 MB of memory in use. ENERGY: 459600 668.0958 1823.3009 1991.1414 94.6566 0.3258 -1067.5825 0.0000 0.0000 2796.8308 6306.7689 308.9178 3509.9380 6339.1592 303.1107 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: 1818.16, 0.00393998/step Wall: 1818.16, 0.00393998/step, 2.23287 hours remaining, 112.027344 MB of memory in use. ENERGY: 459800 639.2135 1896.9149 1978.6277 97.0948 -1.8251 -1048.7645 0.0000 0.0000 2664.8770 6226.1383 294.3431 3561.2614 6258.1749 302.2205 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: 1818.95, 0.0039528/step Wall: 1818.95, 0.0039528/step, 2.23992 hours remaining, 112.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 460000 663.3922 1856.4568 1981.2960 99.3725 1.0195 -1059.7843 0.0000 0.0000 2743.2425 6284.9953 302.9988 3541.7528 6317.9826 300.5441 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 460000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1819.77, 0.0041126/step Wall: 1819.77, 0.0041126/step, 2.33024 hours remaining, 112.027344 MB of memory in use. ENERGY: 460200 643.1759 1849.9661 1989.2960 102.5495 -0.5374 -1052.2358 0.0000 0.0000 2745.2584 6277.4727 303.2214 3532.2143 6312.1155 300.6235 LDB: ============= START OF LOAD BALANCING ============== 1822.73 LDB: ============== END OF LOAD BALANCING =============== 1822.73 LDB: =============== DONE WITH MIGRATION ================ 1822.73 LDB: ============= START OF LOAD BALANCING ============== 1823.13 LDB: ============== END OF LOAD BALANCING =============== 1823.13 LDB: =============== DONE WITH MIGRATION ================ 1823.13 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: 1820.56, 0.00395475/step Wall: 1820.56, 0.00395475/step, 2.24058 hours remaining, 112.027344 MB of memory in use. ENERGY: 460400 661.0178 1854.9454 1997.6891 113.5850 1.2366 -1046.4020 0.0000 0.0000 2632.9035 6214.9754 290.8115 3582.0719 6247.3984 298.4469 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: 1821.35, 0.00395072/step Wall: 1821.35, 0.00395072/step, 2.23808 hours remaining, 112.027344 MB of memory in use. ENERGY: 460600 656.7886 1879.4222 2008.8878 95.1181 -0.4128 -1018.7164 0.0000 0.0000 2652.0942 6273.1817 292.9312 3621.0875 6305.1641 299.1984 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: 1822.14, 0.00394241/step Wall: 1822.14, 0.00394241/step, 2.23316 hours remaining, 112.027344 MB of memory in use. ENERGY: 460800 673.9208 1853.8133 1973.2495 108.8856 0.5885 -1037.0778 0.0000 0.0000 2724.4919 6297.8717 300.9277 3573.3799 6330.1666 301.7663 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: 1822.93, 0.00394881/step Wall: 1822.93, 0.00394881/step, 2.23656 hours remaining, 112.027344 MB of memory in use. ENERGY: 461000 667.2706 1851.4073 2002.2617 114.8296 1.1433 -1016.4122 0.0000 0.0000 2673.5055 6294.0058 295.2961 3620.5003 6326.4580 301.9700 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: 1823.72, 0.00394864/step Wall: 1823.72, 0.00394864/step, 2.23625 hours remaining, 112.027344 MB of memory in use. ENERGY: 461200 670.1882 1816.5142 1996.8366 117.6385 0.0741 -1065.7428 0.0000 0.0000 2714.2686 6249.7773 299.7985 3535.5087 6285.1582 298.7452 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: 1824.51, 0.00394868/step Wall: 1824.51, 0.00394868/step, 2.23605 hours remaining, 112.027344 MB of memory in use. ENERGY: 461400 626.4001 1863.3558 1988.0704 122.0835 1.3926 -1040.9347 0.0000 0.0000 2745.3787 6305.7465 303.2347 3560.3677 6337.8027 300.5912 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: 1825.3, 0.0039494/step Wall: 1825.3, 0.0039494/step, 2.23624 hours remaining, 112.027344 MB of memory in use. ENERGY: 461600 660.8273 1853.3977 2014.6739 112.4523 0.2083 -1067.5349 0.0000 0.0000 2760.1688 6334.1935 304.8683 3574.0246 6368.3572 303.9875 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: 1826.09, 0.00394303/step Wall: 1826.09, 0.00394303/step, 2.23241 hours remaining, 112.027344 MB of memory in use. ENERGY: 461800 661.9016 1878.1190 1983.0924 116.0884 -0.4456 -1081.7889 0.0000 0.0000 2748.0303 6304.9972 303.5276 3556.9668 6339.5754 304.7237 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: 1826.88, 0.00394974/step Wall: 1826.88, 0.00394974/step, 2.23599 hours remaining, 112.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 462000 655.4218 1834.6872 1987.6346 109.7141 -0.1015 -1068.7469 0.0000 0.0000 2780.0555 6298.6648 307.0649 3518.6093 6333.5716 302.2663 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: 1827.67, 0.00394893/step Wall: 1827.67, 0.00394893/step, 2.23531 hours remaining, 112.027344 MB of memory in use. ENERGY: 462200 658.9474 1850.8095 1993.5328 115.6551 -0.9663 -1032.7756 0.0000 0.0000 2729.5973 6314.8002 301.4916 3585.2029 6346.8989 300.4698 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: 1828.46, 0.00394947/step Wall: 1828.46, 0.00394947/step, 2.2354 hours remaining, 112.027344 MB of memory in use. ENERGY: 462400 682.1514 1870.6717 1985.9718 106.0157 -1.9587 -1058.8389 0.0000 0.0000 2714.4154 6298.4285 299.8147 3584.0131 6327.3179 302.0908 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: 1829.25, 0.00394992/step Wall: 1829.25, 0.00394992/step, 2.23544 hours remaining, 112.027344 MB of memory in use. ENERGY: 462600 644.8573 1849.4747 1987.0875 103.6249 -2.2335 -1023.1066 0.0000 0.0000 2690.4720 6250.1764 297.1701 3559.7044 6286.2856 302.0987 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: 1830.04, 0.00394284/step Wall: 1830.04, 0.00394284/step, 2.23121 hours remaining, 112.027344 MB of memory in use. ENERGY: 462800 634.6623 1913.2811 1964.6789 102.4601 -1.2387 -1062.0733 0.0000 0.0000 2694.5472 6246.3175 297.6202 3551.7703 6279.4463 299.3466 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: 1830.83, 0.00394932/step Wall: 1830.83, 0.00394932/step, 2.23466 hours remaining, 112.027344 MB of memory in use. ENERGY: 463000 664.8641 1796.5886 1977.5024 110.2796 2.1819 -1028.9090 0.0000 0.0000 2713.8684 6236.3759 299.7543 3522.5075 6269.1528 298.4325 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: 1831.62, 0.00395067/step Wall: 1831.62, 0.00395067/step, 2.2352 hours remaining, 112.027344 MB of memory in use. ENERGY: 463200 671.1510 1872.5144 2004.4040 111.7781 0.0570 -1039.2674 0.0000 0.0000 2686.1808 6306.8179 296.6962 3620.6371 6337.0557 298.7891 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: 1832.41, 0.00394982/step Wall: 1832.41, 0.00394982/step, 2.2345 hours remaining, 112.027344 MB of memory in use. ENERGY: 463400 649.4878 1911.5573 1995.5052 104.3807 0.6774 -1070.9403 0.0000 0.0000 2754.3089 6344.9772 304.2211 3590.6682 6378.0821 302.8400 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: 1833.19, 0.00394307/step Wall: 1833.19, 0.00394307/step, 2.23047 hours remaining, 112.027344 MB of memory in use. ENERGY: 463600 684.1092 1840.9505 1950.6320 110.5613 1.6437 -1052.9925 0.0000 0.0000 2806.8425 6341.7468 310.0236 3534.9043 6378.7007 304.6018 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: 1833.99, 0.00395069/step Wall: 1833.99, 0.00395069/step, 2.23455 hours remaining, 112.027344 MB of memory in use. ENERGY: 463800 648.3501 1887.3222 1983.6243 102.5126 1.9055 -1032.0661 0.0000 0.0000 2713.7973 6305.4460 299.7465 3591.6487 6338.5333 303.6906 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: 1834.78, 0.00395221/step Wall: 1834.78, 0.00395221/step, 2.23519 hours remaining, 112.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 464000 648.7196 1864.7576 1977.3470 123.2280 1.3509 -1089.7504 0.0000 0.0000 2744.4480 6270.1006 303.1319 3525.6526 6304.9145 300.8513 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: 1835.57, 0.0039512/step Wall: 1835.57, 0.0039512/step, 2.2344 hours remaining, 112.027344 MB of memory in use. ENERGY: 464200 664.0577 1864.5891 1952.9528 86.4584 2.0268 -1041.8804 0.0000 0.0000 2739.0706 6267.2749 302.5380 3528.2044 6304.6155 299.4284 LDB: ============= START OF LOAD BALANCING ============== 1838.52 LDB: ============== END OF LOAD BALANCING =============== 1838.52 LDB: =============== DONE WITH MIGRATION ================ 1838.52 LDB: ============= START OF LOAD BALANCING ============== 1838.92 LDB: ============== END OF LOAD BALANCING =============== 1838.92 LDB: =============== DONE WITH MIGRATION ================ 1838.92 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: 1836.36, 0.00395648/step Wall: 1836.36, 0.00395648/step, 2.23717 hours remaining, 112.027344 MB of memory in use. ENERGY: 464400 658.7978 1898.0479 1992.1624 96.5101 0.5626 -1049.2896 0.0000 0.0000 2686.9578 6283.7490 296.7820 3596.7912 6313.6762 301.1488 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: 1837.15, 0.00394489/step Wall: 1837.15, 0.00394489/step, 2.2304 hours remaining, 112.027344 MB of memory in use. ENERGY: 464600 673.5294 1871.9796 1982.5994 107.0012 -0.2480 -1068.1626 0.0000 0.0000 2724.7482 6291.4473 300.9560 3566.6991 6324.9899 301.1064 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: 1837.94, 0.00394891/step Wall: 1837.94, 0.00394891/step, 2.23245 hours remaining, 112.027344 MB of memory in use. ENERGY: 464800 665.4691 1885.0147 1994.2068 106.5579 0.7914 -1071.8961 0.0000 0.0000 2720.2447 6300.3885 300.4586 3580.1438 6335.6632 300.5895 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: 1838.73, 0.00394959/step Wall: 1838.73, 0.00394959/step, 2.23262 hours remaining, 112.027344 MB of memory in use. ENERGY: 465000 659.9235 1858.8353 1966.4001 121.7649 -0.7453 -1031.1372 0.0000 0.0000 2731.7886 6306.8298 301.7337 3575.0412 6339.4794 301.5177 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: 1839.52, 0.00394892/step Wall: 1839.52, 0.00394892/step, 2.23202 hours remaining, 112.027344 MB of memory in use. ENERGY: 465200 678.8903 1883.1926 1990.8522 107.0557 -0.6561 -1080.3641 0.0000 0.0000 2768.4476 6347.4183 305.7828 3578.9706 6379.7597 302.7898 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: 1840.31, 0.00394805/step Wall: 1840.31, 0.00394805/step, 2.23131 hours remaining, 112.027344 MB of memory in use. ENERGY: 465400 679.6444 1865.3211 1978.7884 95.2780 0.0281 -1069.2632 0.0000 0.0000 2745.0270 6294.8239 303.1959 3549.7969 6327.7169 304.3847 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: 1841.1, 0.003958/step Wall: 1841.1, 0.003958/step, 2.23671 hours remaining, 112.027344 MB of memory in use. ENERGY: 465600 686.7466 1853.9408 2003.6041 117.6160 -1.3421 -1074.3464 0.0000 0.0000 2713.3681 6299.5872 299.6991 3586.2192 6330.4771 301.5221 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: 1841.89, 0.00395437/step Wall: 1841.89, 0.00395437/step, 2.23444 hours remaining, 112.027344 MB of memory in use. ENERGY: 465800 638.9792 1843.1576 2000.3152 106.4913 -0.5299 -1032.1635 0.0000 0.0000 2738.9280 6295.1779 302.5222 3556.2499 6328.0913 301.5039 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: 1842.68, 0.00395376/step Wall: 1842.68, 0.00395376/step, 2.23388 hours remaining, 112.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 466000 691.6764 1824.4236 2007.1062 107.4678 -1.0264 -1053.8649 0.0000 0.0000 2654.7057 6230.4884 293.2196 3575.7827 6261.3535 300.4424 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: 1843.47, 0.00395151/step Wall: 1843.47, 0.00395151/step, 2.23238 hours remaining, 112.027344 MB of memory in use. ENERGY: 466200 656.2763 1856.8709 1971.1249 100.6959 0.0462 -1055.9248 0.0000 0.0000 2696.3281 6225.4175 297.8169 3529.0894 6261.7531 296.8419 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: 1844.26, 0.00395025/step Wall: 1844.26, 0.00395025/step, 2.23145 hours remaining, 112.027344 MB of memory in use. ENERGY: 466400 673.9758 1769.0611 1996.3556 107.7059 0.4426 -1086.5641 0.0000 0.0000 2713.1539 6174.1309 299.6754 3460.9769 6208.9889 296.1288 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: 1845.05, 0.00394316/step Wall: 1845.05, 0.00394316/step, 2.22723 hours remaining, 112.027344 MB of memory in use. ENERGY: 466600 636.3116 1894.1559 1974.2417 105.6089 0.6746 -1097.9343 0.0000 0.0000 2655.0220 6168.0804 293.2546 3513.0584 6197.4308 294.5326 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: 1845.84, 0.00394843/step Wall: 1845.84, 0.00394843/step, 2.22999 hours remaining, 112.027344 MB of memory in use. ENERGY: 466800 655.0615 1836.1109 1989.9336 99.1353 -1.5227 -1077.0980 0.0000 0.0000 2673.2336 6174.8541 295.2661 3501.6205 6206.1097 295.4385 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: 1846.63, 0.00395023/step Wall: 1846.63, 0.00395023/step, 2.23078 hours remaining, 112.027344 MB of memory in use. ENERGY: 467000 635.1964 1818.1194 1991.1532 112.2311 -0.7543 -1053.6483 0.0000 0.0000 2689.7509 6192.0485 297.0905 3502.2975 6223.7819 295.0702 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: 1847.42, 0.00394971/step Wall: 1847.42, 0.00394971/step, 2.23027 hours remaining, 112.027344 MB of memory in use. ENERGY: 467200 605.3367 1841.3684 1991.3068 113.5493 -0.2783 -1061.0987 0.0000 0.0000 2711.3791 6201.5633 299.4794 3490.1842 6235.8489 296.9101 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: 1848.21, 0.00394304/step Wall: 1848.21, 0.00394304/step, 2.22628 hours remaining, 112.027344 MB of memory in use. ENERGY: 467400 668.5817 1811.6215 2003.4441 111.5166 -0.7113 -1099.7383 0.0000 0.0000 2744.0295 6238.7439 303.0857 3494.7144 6275.3832 297.2823 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: 1849, 0.00394747/step Wall: 1849, 0.00394746/step, 2.22856 hours remaining, 112.027344 MB of memory in use. ENERGY: 467600 668.8588 1845.0370 2012.0855 103.5405 -0.9110 -1066.6177 0.0000 0.0000 2698.8205 6260.8136 298.0922 3561.9931 6291.8916 299.1684 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: 1849.78, 0.00394777/step Wall: 1849.78, 0.00394778/step, 2.22852 hours remaining, 112.027344 MB of memory in use. ENERGY: 467800 651.7951 1823.6413 2009.4179 108.8858 -0.3371 -1070.7780 0.0000 0.0000 2743.6346 6266.2596 303.0421 3522.6250 6299.9318 300.2335 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: 1850.57, 0.00394735/step Wall: 1850.57, 0.00394735/step, 2.22806 hours remaining, 112.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 468000 649.2083 1790.3130 1997.3174 106.6532 -0.9013 -1057.9902 0.0000 0.0000 2718.3578 6202.9583 300.2502 3484.6005 6236.3115 296.8668 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: 1851.36, 0.00394901/step Wall: 1851.36, 0.00394901/step, 2.22878 hours remaining, 112.027344 MB of memory in use. ENERGY: 468200 650.3884 1848.5380 1990.0994 93.7840 0.1088 -1054.1399 0.0000 0.0000 2694.5319 6223.3106 297.6185 3528.7788 6255.8596 296.1702 LDB: ============= START OF LOAD BALANCING ============== 1854.32 LDB: ============== END OF LOAD BALANCING =============== 1854.32 LDB: =============== DONE WITH MIGRATION ================ 1854.32 LDB: ============= START OF LOAD BALANCING ============== 1854.72 LDB: ============== END OF LOAD BALANCING =============== 1854.72 LDB: =============== DONE WITH MIGRATION ================ 1854.72 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: 1852.15, 0.00394774/step Wall: 1852.15, 0.00394774/step, 2.22784 hours remaining, 112.027344 MB of memory in use. ENERGY: 468400 663.0508 1827.4306 1978.6051 118.6058 -0.0080 -1069.1871 0.0000 0.0000 2725.2067 6243.7039 301.0067 3518.4972 6278.3420 298.6230 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: 1852.94, 0.00394802/step Wall: 1852.94, 0.00394801/step, 2.22778 hours remaining, 112.027344 MB of memory in use. ENERGY: 468600 668.0074 1842.8633 1994.6143 109.3335 0.2632 -1080.6378 0.0000 0.0000 2679.5908 6214.0347 295.9683 3534.4439 6245.4904 297.8421 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: 1853.73, 0.00394905/step Wall: 1853.73, 0.00394906/step, 2.22814 hours remaining, 112.027344 MB of memory in use. ENERGY: 468800 639.9290 1862.1428 2001.7700 102.7291 -0.3521 -1068.5795 0.0000 0.0000 2716.6322 6254.2715 300.0596 3537.6393 6286.0493 299.0348 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: 1854.52, 0.00394913/step Wall: 1854.52, 0.00394913/step, 2.22797 hours remaining, 112.027344 MB of memory in use. ENERGY: 469000 641.9194 1861.2628 1978.3182 109.9483 -0.4114 -1067.8136 0.0000 0.0000 2698.9641 6222.1877 298.1081 3523.2237 6253.3522 298.9364 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: 1855.31, 0.00395069/step Wall: 1855.31, 0.00395069/step, 2.22863 hours remaining, 112.027344 MB of memory in use. ENERGY: 469200 639.1741 1876.3613 1972.5740 96.9598 -0.9604 -1021.4561 0.0000 0.0000 2650.7045 6213.3572 292.7777 3562.6527 6244.9890 296.5613 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: 1856.1, 0.00394425/step Wall: 1856.1, 0.00394425/step, 2.22478 hours remaining, 112.027344 MB of memory in use. ENERGY: 469400 646.4125 1866.3040 1960.3707 102.8280 -1.8930 -1037.5110 0.0000 0.0000 2685.9019 6222.4131 296.6653 3536.5112 6251.8966 296.6578 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: 1856.89, 0.00394794/step Wall: 1856.89, 0.00394793/step, 2.22663 hours remaining, 112.027344 MB of memory in use. ENERGY: 469600 652.7465 1881.7349 1979.7728 101.8082 -1.6558 -1044.1733 0.0000 0.0000 2729.3810 6299.6142 301.4677 3570.2332 6334.0351 300.0959 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: 1857.68, 0.00395115/step Wall: 1857.68, 0.00395115/step, 2.22823 hours remaining, 112.027344 MB of memory in use. ENERGY: 469800 624.1238 1854.0950 1960.9965 110.2064 -0.7972 -1045.7769 0.0000 0.0000 2807.7877 6310.6352 310.1280 3502.8475 6348.4972 301.7802 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: 1858.47, 0.00395818/step Wall: 1858.47, 0.00395818/step, 2.23198 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 470000 684.3324 1843.4053 1948.2452 107.5161 -0.1529 -1029.0596 0.0000 0.0000 2724.9301 6279.2166 300.9761 3554.2865 6313.2400 301.8007 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 470000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1859.32, 0.00424727/step Wall: 1859.32, 0.00424727/step, 2.39475 hours remaining, 112.167969 MB of memory in use. ENERGY: 470200 650.3552 1872.3330 1972.3855 105.4515 -1.3155 -1024.4172 0.0000 0.0000 2704.9370 6279.7295 298.7678 3574.7924 6313.4486 300.5144 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: 1860.11, 0.00394618/step Wall: 1860.11, 0.00394618/step, 2.22477 hours remaining, 112.167969 MB of memory in use. ENERGY: 470400 673.3740 1843.3417 1992.5298 103.1490 -0.9034 -1068.8607 0.0000 0.0000 2749.8839 6292.5142 303.7323 3542.6303 6326.8283 301.4356 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: 1860.9, 0.00394757/step Wall: 1860.9, 0.00394757/step, 2.22533 hours remaining, 112.167969 MB of memory in use. ENERGY: 470600 637.4593 1816.1779 1974.8699 94.2254 -1.5796 -1028.0851 0.0000 0.0000 2755.1901 6248.2579 304.3184 3493.0678 6282.4153 300.1154 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: 1861.69, 0.00394965/step Wall: 1861.69, 0.00394965/step, 2.22629 hours remaining, 112.167969 MB of memory in use. ENERGY: 470800 670.3520 1823.8149 1958.5361 105.6056 -0.4144 -1057.4945 0.0000 0.0000 2701.2704 6201.6701 298.3628 3500.3996 6235.2471 297.6582 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: 1862.48, 0.00394848/step Wall: 1862.48, 0.00394848/step, 2.22541 hours remaining, 112.167969 MB of memory in use. ENERGY: 471000 656.6723 1853.5518 1971.5272 103.0670 -0.8970 -1050.0694 0.0000 0.0000 2660.0900 6193.9419 293.8143 3533.8519 6224.4218 297.6345 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: 1863.27, 0.00394507/step Wall: 1863.27, 0.00394507/step, 2.22327 hours remaining, 112.167969 MB of memory in use. ENERGY: 471200 604.1042 1828.1331 1969.8488 98.9516 -0.6762 -1049.9106 0.0000 0.0000 2717.2305 6167.6814 300.1257 3450.4509 6204.0437 296.8030 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: 1864.06, 0.00394769/step Wall: 1864.06, 0.00394769/step, 2.22453 hours remaining, 112.167969 MB of memory in use. ENERGY: 471400 652.3480 1797.8993 1993.2191 110.9044 -0.3672 -1052.3851 0.0000 0.0000 2662.0369 6163.6554 294.0294 3501.6185 6196.3415 294.2874 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: 1864.85, 0.00394808/step Wall: 1864.85, 0.00394808/step, 2.22452 hours remaining, 112.167969 MB of memory in use. ENERGY: 471600 674.5437 1774.2904 2001.1224 110.4101 0.7915 -1061.6877 0.0000 0.0000 2694.3119 6193.7823 297.5943 3499.4703 6223.6331 295.6821 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: 1865.64, 0.00395024/step Wall: 1865.64, 0.00395024/step, 2.22552 hours remaining, 112.167969 MB of memory in use. ENERGY: 471800 669.6173 1815.0339 2014.1920 107.1640 -0.7472 -1072.2523 0.0000 0.0000 2687.5234 6220.5312 296.8444 3533.0078 6253.3632 297.8661 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: 1866.43, 0.00394947/step Wall: 1866.43, 0.00394947/step, 2.22487 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 472000 670.9330 1835.9096 1991.1796 107.6859 0.1856 -1059.9582 0.0000 0.0000 2780.3399 6326.2755 307.0963 3545.9356 6359.7109 300.3483 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: 1867.22, 0.00394658/step Wall: 1867.22, 0.00394657/step, 2.22302 hours remaining, 112.167969 MB of memory in use. ENERGY: 472200 670.2781 1870.9452 2000.8769 115.9344 -0.8867 -1080.6977 0.0000 0.0000 2779.3286 6355.7788 306.9846 3576.4502 6389.4527 304.2338 LDB: ============= START OF LOAD BALANCING ============== 1870.18 LDB: ============== END OF LOAD BALANCING =============== 1870.18 LDB: =============== DONE WITH MIGRATION ================ 1870.18 LDB: ============= START OF LOAD BALANCING ============== 1870.57 LDB: ============== END OF LOAD BALANCING =============== 1870.57 LDB: =============== DONE WITH MIGRATION ================ 1870.57 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: 1868.01, 0.003955/step Wall: 1868.01, 0.00395501/step, 2.22755 hours remaining, 112.167969 MB of memory in use. ENERGY: 472400 675.2204 1858.8610 2006.8825 112.3157 1.9312 -1076.8753 0.0000 0.0000 2739.3628 6317.6982 302.5703 3578.3354 6352.3103 304.3007 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: 1868.8, 0.00395081/step Wall: 1868.8, 0.00395081/step, 2.22496 hours remaining, 112.167969 MB of memory in use. ENERGY: 472600 621.0466 1866.1186 1979.5733 104.2056 1.1156 -1052.0801 0.0000 0.0000 2782.5136 6302.4932 307.3364 3519.9796 6339.8507 303.1693 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: 1869.59, 0.00395023/step Wall: 1869.59, 0.00395023/step, 2.22442 hours remaining, 112.167969 MB of memory in use. ENERGY: 472800 659.1237 1887.4891 1951.6532 106.9493 0.2458 -1052.4034 0.0000 0.0000 2761.7974 6314.8552 305.0482 3553.0578 6347.4094 303.0985 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: 1870.38, 0.00394878/step Wall: 1870.38, 0.00394878/step, 2.22338 hours remaining, 112.167969 MB of memory in use. ENERGY: 473000 659.8499 1882.9830 1998.2580 107.9117 -0.5402 -1066.0038 0.0000 0.0000 2693.4758 6275.9343 297.5019 3582.4585 6308.8628 301.7888 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: 1871.17, 0.00394794/step Wall: 1871.17, 0.00394794/step, 2.22269 hours remaining, 112.167969 MB of memory in use. ENERGY: 473200 666.5787 1872.1684 1981.9038 94.6488 -0.1411 -1077.7992 0.0000 0.0000 2760.5405 6297.8999 304.9094 3537.3594 6330.0984 298.5955 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: 1871.96, 0.00394953/step Wall: 1871.96, 0.00394953/step, 2.22336 hours remaining, 112.167969 MB of memory in use. ENERGY: 473400 677.7997 1860.8297 1997.1110 110.7930 0.4785 -1075.9810 0.0000 0.0000 2691.8804 6262.9113 297.3257 3571.0309 6297.1838 302.7424 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: 1872.75, 0.00395012/step Wall: 1872.75, 0.00395012/step, 2.22348 hours remaining, 112.167969 MB of memory in use. ENERGY: 473600 630.3399 1852.4015 2018.7944 115.0342 0.2340 -1062.4234 0.0000 0.0000 2749.5911 6303.9717 303.7000 3554.3806 6341.2119 301.3495 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: 1873.54, 0.00394955/step Wall: 1873.54, 0.00394955/step, 2.22294 hours remaining, 112.167969 MB of memory in use. ENERGY: 473800 656.6258 1883.2829 1961.1366 104.8918 0.1856 -1023.1388 0.0000 0.0000 2724.4617 6307.4455 300.9244 3582.9839 6341.2751 303.8411 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: 1874.33, 0.00394976/step Wall: 1874.33, 0.00394976/step, 2.22284 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 474000 680.1554 1826.0406 1992.4105 108.2851 0.6973 -1082.1736 0.0000 0.0000 2761.4805 6286.8959 305.0132 3525.4153 6321.0161 300.5690 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: 1875.12, 0.00394747/step Wall: 1875.12, 0.00394747/step, 2.22133 hours remaining, 112.167969 MB of memory in use. ENERGY: 474200 646.2289 1846.5406 2018.1482 108.7523 1.1933 -1058.6986 0.0000 0.0000 2736.5595 6298.7243 302.2606 3562.1648 6332.2984 299.3057 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: 1875.91, 0.00394895/step Wall: 1875.91, 0.00394895/step, 2.22194 hours remaining, 112.167969 MB of memory in use. ENERGY: 474400 646.0390 1832.2648 2008.8367 115.8310 0.6384 -1055.8384 0.0000 0.0000 2714.7793 6262.5509 299.8549 3547.7715 6292.5662 301.3598 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: 1876.7, 0.00395104/step Wall: 1876.7, 0.00395104/step, 2.2229 hours remaining, 112.167969 MB of memory in use. ENERGY: 474600 653.4270 1800.0471 2025.8538 104.9150 -0.0511 -1047.6789 0.0000 0.0000 2674.3483 6210.8612 295.3892 3536.5129 6244.5800 296.8535 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: 1877.49, 0.00395119/step Wall: 1877.49, 0.00395119/step, 2.22276 hours remaining, 112.167969 MB of memory in use. ENERGY: 474800 661.4891 1829.0862 1962.4175 109.8403 0.2550 -1059.7412 0.0000 0.0000 2755.4524 6258.7992 304.3474 3503.3468 6290.4256 299.4538 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: 1878.28, 0.00394588/step Wall: 1878.28, 0.00394588/step, 2.21956 hours remaining, 112.167969 MB of memory in use. ENERGY: 475000 656.2834 1824.3546 1979.9066 108.0817 0.0407 -1102.8187 0.0000 0.0000 2749.4726 6215.3209 303.6869 3465.8483 6250.0582 300.7078 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: 1879.07, 0.00395083/step Wall: 1879.07, 0.00395083/step, 2.22212 hours remaining, 112.167969 MB of memory in use. ENERGY: 475200 658.4267 1841.8485 1978.1574 106.8722 1.0612 -1081.1048 0.0000 0.0000 2696.2999 6201.5611 297.8138 3505.2613 6233.4938 297.5864 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: 1879.86, 0.00395151/step Wall: 1879.86, 0.00395151/step, 2.22228 hours remaining, 112.167969 MB of memory in use. ENERGY: 475400 643.7220 1834.8933 1984.8412 107.2905 1.2314 -1057.3941 0.0000 0.0000 2750.8080 6265.3923 303.8344 3514.5843 6298.3640 297.1743 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: 1880.65, 0.00395068/step Wall: 1880.65, 0.00395068/step, 2.2216 hours remaining, 112.167969 MB of memory in use. ENERGY: 475600 606.5331 1849.9732 1967.9473 116.0761 1.2904 -1041.7061 0.0000 0.0000 2753.3019 6253.4157 304.1099 3500.1138 6285.5654 299.4793 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: 1881.44, 0.00395224/step Wall: 1881.44, 0.00395224/step, 2.22226 hours remaining, 112.167969 MB of memory in use. ENERGY: 475800 682.6537 1815.4596 1982.0288 114.2233 1.7341 -1015.6780 0.0000 0.0000 2707.4138 6287.8354 299.0414 3580.4216 6317.8179 300.5292 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: 1882.23, 0.00394731/step Wall: 1882.23, 0.00394731/step, 2.21927 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 476000 656.5473 1831.0771 1990.9745 119.6470 2.1812 -1037.3838 0.0000 0.0000 2679.4524 6242.4958 295.9530 3563.0434 6274.6423 298.6739 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: 1883.02, 0.00395116/step Wall: 1883.02, 0.00395116/step, 2.22121 hours remaining, 112.167969 MB of memory in use. ENERGY: 476200 682.2170 1844.0128 2002.9344 119.4965 0.5057 -1083.4438 0.0000 0.0000 2683.0360 6248.7587 296.3488 3565.7227 6278.5244 298.2089 LDB: ============= START OF LOAD BALANCING ============== 1885.98 LDB: ============== END OF LOAD BALANCING =============== 1885.98 LDB: =============== DONE WITH MIGRATION ================ 1885.98 LDB: ============= START OF LOAD BALANCING ============== 1886.37 LDB: ============== END OF LOAD BALANCING =============== 1886.37 LDB: =============== DONE WITH MIGRATION ================ 1886.37 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: 1883.81, 0.00395357/step Wall: 1883.81, 0.00395357/step, 2.22234 hours remaining, 112.167969 MB of memory in use. ENERGY: 476400 660.5868 1877.1065 1981.7601 125.6000 1.3135 -1096.0219 0.0000 0.0000 2728.6331 6278.9780 301.3851 3550.3449 6313.6613 301.2123 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: 1884.6, 0.00394994/step Wall: 1884.6, 0.00394994/step, 2.22009 hours remaining, 112.167969 MB of memory in use. ENERGY: 476600 684.5930 1816.3139 1998.9266 103.9834 2.6864 -1062.6798 0.0000 0.0000 2701.1441 6244.9675 298.3489 3543.8234 6277.8742 300.3785 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: 1885.39, 0.00394868/step Wall: 1885.39, 0.00394868/step, 2.21916 hours remaining, 112.167969 MB of memory in use. ENERGY: 476800 620.6998 1824.6796 2017.2278 98.0948 0.6620 -1075.9076 0.0000 0.0000 2714.0962 6199.5525 299.7795 3485.4563 6233.6245 296.9955 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: 1886.18, 0.00394642/step Wall: 1886.18, 0.00394642/step, 2.21767 hours remaining, 112.167969 MB of memory in use. ENERGY: 477000 663.3263 1852.0202 1973.8577 116.5825 2.8422 -1079.1418 0.0000 0.0000 2725.4234 6254.9104 301.0306 3529.4871 6286.1572 298.4357 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: 1886.97, 0.00395035/step Wall: 1886.97, 0.00395035/step, 2.21966 hours remaining, 112.167969 MB of memory in use. ENERGY: 477200 635.2939 1847.8049 1997.4519 115.9386 -0.4486 -1035.7475 0.0000 0.0000 2688.0110 6248.3042 296.8983 3560.2932 6279.0672 299.1235 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: 1887.76, 0.00395069/step Wall: 1887.76, 0.00395069/step, 2.21963 hours remaining, 112.167969 MB of memory in use. ENERGY: 477400 647.7827 1842.2918 2016.4051 95.5541 1.5645 -1019.1058 0.0000 0.0000 2685.1447 6269.6370 296.5817 3584.4923 6302.7641 298.7097 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: 1888.55, 0.00395098/step Wall: 1888.55, 0.00395098/step, 2.21957 hours remaining, 112.167969 MB of memory in use. ENERGY: 477600 670.0949 1843.0449 2026.6042 102.9883 0.8463 -1080.5944 0.0000 0.0000 2682.9477 6245.9319 296.3390 3562.9842 6279.6231 298.5802 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: 1889.34, 0.00395233/step Wall: 1889.34, 0.00395233/step, 2.22011 hours remaining, 112.167969 MB of memory in use. ENERGY: 477800 627.8594 1872.6785 1991.1248 106.6209 0.4560 -1080.1788 0.0000 0.0000 2719.3472 6237.9079 300.3595 3518.5607 6270.6199 296.4847 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: 1890.13, 0.00394931/step Wall: 1890.13, 0.00394931/step, 2.2182 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 478000 670.0945 1894.9371 1987.2092 111.4189 -0.1914 -1114.8485 0.0000 0.0000 2710.5281 6259.1478 299.3854 3548.6197 6294.5668 299.1382 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: 1890.92, 0.00395266/step Wall: 1890.92, 0.00395266/step, 2.21986 hours remaining, 112.167969 MB of memory in use. ENERGY: 478200 634.4902 1857.6742 2017.2520 89.0449 -0.1481 -1091.5032 0.0000 0.0000 2695.4627 6202.2726 297.7214 3506.8099 6235.7680 298.0810 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: 1891.71, 0.00395357/step Wall: 1891.71, 0.00395356/step, 2.22015 hours remaining, 112.167969 MB of memory in use. ENERGY: 478400 641.7813 1866.9303 1968.6813 110.1203 1.0296 -1078.1629 0.0000 0.0000 2711.7138 6222.0937 299.5163 3510.3799 6255.5574 297.4799 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: 1892.5, 0.00395219/step Wall: 1892.5, 0.0039522/step, 2.21916 hours remaining, 112.167969 MB of memory in use. ENERGY: 478600 691.2916 1837.8610 1993.2858 126.7784 0.4142 -1078.6813 0.0000 0.0000 2695.1484 6266.0981 297.6866 3570.9497 6297.9199 299.6337 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: 1893.29, 0.00394738/step Wall: 1893.29, 0.00394738/step, 2.21624 hours remaining, 112.167969 MB of memory in use. ENERGY: 478800 669.4931 1886.1790 1997.1892 105.1737 1.8704 -1094.5584 0.0000 0.0000 2671.4982 6236.8453 295.0744 3565.3471 6267.1429 300.1222 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: 1894.08, 0.00395228/step Wall: 1894.08, 0.00395228/step, 2.21877 hours remaining, 112.167969 MB of memory in use. ENERGY: 479000 622.0893 1843.3997 1995.1971 108.3015 -0.4695 -1037.9235 0.0000 0.0000 2709.7907 6240.3853 299.3039 3530.5946 6272.2011 298.0522 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: 1894.87, 0.00395153/step Wall: 1894.87, 0.00395153/step, 2.21813 hours remaining, 112.167969 MB of memory in use. ENERGY: 479200 623.9892 1829.0371 2016.9627 98.8464 1.9926 -1058.1038 0.0000 0.0000 2720.9558 6233.6800 300.5371 3512.7242 6270.0880 298.1936 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: 1895.66, 0.00395322/step Wall: 1895.66, 0.00395322/step, 2.21886 hours remaining, 112.167969 MB of memory in use. ENERGY: 479400 666.8806 1814.7305 2016.6083 112.1071 1.9897 -1071.6397 0.0000 0.0000 2677.7747 6218.4512 295.7677 3540.6765 6252.0805 296.7194 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: 1896.45, 0.00395022/step Wall: 1896.45, 0.00395022/step, 2.21695 hours remaining, 112.167969 MB of memory in use. ENERGY: 479600 621.7096 1833.2892 1995.1723 116.8915 1.6553 -1029.3676 0.0000 0.0000 2718.9282 6258.2787 300.3132 3539.3504 6291.7020 298.0355 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: 1897.24, 0.00394719/step Wall: 1897.24, 0.00394719/step, 2.21503 hours remaining, 112.167969 MB of memory in use. ENERGY: 479800 648.7399 1831.8468 2042.6925 96.0582 0.3306 -1049.9173 0.0000 0.0000 2744.8654 6314.6160 303.1780 3569.7507 6350.1263 301.3179 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: 1898.03, 0.00395072/step Wall: 1898.03, 0.00395072/step, 2.2168 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 480000 646.3412 1928.4619 1998.9183 109.4560 1.4820 -1057.3541 0.0000 0.0000 2757.6942 6384.9996 304.5950 3627.3054 6419.1605 303.1758 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 480000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1898.86, 0.00414806/step Wall: 1898.86, 0.00414806/step, 2.32729 hours remaining, 112.167969 MB of memory in use. ENERGY: 480200 633.8325 1888.1355 2013.6553 112.1328 2.7655 -1068.1923 0.0000 0.0000 2746.4884 6328.8177 303.3573 3582.3293 6362.3180 304.9709 LDB: ============= START OF LOAD BALANCING ============== 1901.82 LDB: ============== END OF LOAD BALANCING =============== 1901.82 LDB: =============== DONE WITH MIGRATION ================ 1901.82 LDB: ============= START OF LOAD BALANCING ============== 1902.22 LDB: ============== END OF LOAD BALANCING =============== 1902.22 LDB: =============== DONE WITH MIGRATION ================ 1902.22 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: 1899.65, 0.00395977/step Wall: 1899.65, 0.00395977/step, 2.22143 hours remaining, 112.167969 MB of memory in use. ENERGY: 480400 661.5063 1841.8017 1968.3285 116.6726 0.4268 -1038.6266 0.0000 0.0000 2820.7083 6370.8176 311.5551 3550.1094 6405.0753 303.5020 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: 1900.44, 0.00395368/step Wall: 1900.44, 0.00395368/step, 2.21779 hours remaining, 112.167969 MB of memory in use. ENERGY: 480600 685.3994 1839.6455 2014.4827 120.9384 0.0119 -1029.3626 0.0000 0.0000 2771.5858 6402.7011 306.1294 3631.1153 6436.0896 303.7435 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: 1901.24, 0.0039649/step Wall: 1901.24, 0.0039649/step, 2.22387 hours remaining, 112.167969 MB of memory in use. ENERGY: 480800 705.7835 1858.4837 2031.9289 123.2422 -0.1625 -1047.0046 0.0000 0.0000 2768.9930 6441.2643 305.8430 3672.2713 6474.6921 306.5053 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: 1902.03, 0.0039584/step Wall: 1902.03, 0.0039584/step, 2.22 hours remaining, 112.167969 MB of memory in use. ENERGY: 481000 706.2998 1913.0933 2014.5094 102.5939 0.5327 -1044.9212 0.0000 0.0000 2737.6631 6429.7711 302.3825 3692.1080 6462.7021 307.1276 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: 1902.82, 0.0039543/step Wall: 1902.82, 0.0039543/step, 2.21748 hours remaining, 112.167969 MB of memory in use. ENERGY: 481200 721.4661 1883.9158 2028.2316 97.8984 0.9788 -1049.0576 0.0000 0.0000 2745.1760 6428.6092 303.2123 3683.4332 6462.0146 306.3950 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: 1903.61, 0.00395496/step Wall: 1903.61, 0.00395496/step, 2.21764 hours remaining, 112.167969 MB of memory in use. ENERGY: 481400 678.1846 1880.3228 2034.0801 121.7353 0.3525 -1042.7500 0.0000 0.0000 2770.0295 6441.9549 305.9575 3671.9254 6477.7346 306.1982 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: 1904.4, 0.00395427/step Wall: 1904.4, 0.00395427/step, 2.21702 hours remaining, 112.167969 MB of memory in use. ENERGY: 481600 683.6101 1905.4281 2016.9834 97.8805 0.4430 -1032.0884 0.0000 0.0000 2757.0991 6429.3557 304.5293 3672.2567 6461.4356 309.0386 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: 1905.19, 0.00394814/step Wall: 1905.19, 0.00394814/step, 2.21337 hours remaining, 112.167969 MB of memory in use. ENERGY: 481800 643.1571 1892.3770 2022.5884 112.2471 -0.7948 -1051.8505 0.0000 0.0000 2748.1128 6365.8372 303.5367 3617.7243 6398.9505 306.0222 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: 1905.98, 0.00395222/step Wall: 1905.98, 0.00395222/step, 2.21544 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 482000 691.4351 1851.4537 2005.2521 109.8367 0.0303 -1051.5056 0.0000 0.0000 2765.5198 6372.0222 305.4594 3606.5024 6406.2081 303.6900 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: 1906.77, 0.00395462/step Wall: 1906.77, 0.00395462/step, 2.21656 hours remaining, 112.167969 MB of memory in use. ENERGY: 482200 626.4644 1878.1551 1974.8882 116.7078 -0.3885 -1029.4717 0.0000 0.0000 2805.4760 6371.8313 309.8726 3566.3554 6407.1342 305.2314 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: 1907.56, 0.00395384/step Wall: 1907.56, 0.00395384/step, 2.21591 hours remaining, 112.167969 MB of memory in use. ENERGY: 482400 665.0413 1868.5435 2021.4035 103.1630 0.1819 -1016.5099 0.0000 0.0000 2791.1573 6432.9805 308.2911 3641.8232 6467.7360 306.5212 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: 1908.35, 0.00394533/step Wall: 1908.35, 0.00394533/step, 2.21092 hours remaining, 112.167969 MB of memory in use. ENERGY: 482600 637.5088 1936.6629 1993.6981 103.6011 -0.5670 -1050.6078 0.0000 0.0000 2790.1114 6410.4074 308.1756 3620.2960 6446.2187 306.8768 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: 1909.14, 0.00395326/step Wall: 1909.14, 0.00395326/step, 2.21514 hours remaining, 112.167969 MB of memory in use. ENERGY: 482800 647.9008 1916.7054 2000.6745 100.7633 -0.0983 -1062.3992 0.0000 0.0000 2734.2561 6337.8025 302.0062 3603.5465 6370.8928 305.5548 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: 1909.93, 0.00395284/step Wall: 1909.93, 0.00395284/step, 2.21469 hours remaining, 112.167969 MB of memory in use. ENERGY: 483000 667.7610 1905.6405 2010.5271 110.8893 3.1293 -1045.2291 0.0000 0.0000 2685.7394 6338.4575 296.6474 3652.7181 6371.4594 303.3852 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: 1910.72, 0.003952/step Wall: 1910.72, 0.003952/step, 2.214 hours remaining, 112.167969 MB of memory in use. ENERGY: 483200 645.2721 1857.6811 2000.3643 102.1684 1.1199 -1050.3890 0.0000 0.0000 2749.3898 6305.6065 303.6778 3556.2167 6341.0832 301.9435 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: 1911.51, 0.00395288/step Wall: 1911.51, 0.00395288/step, 2.21427 hours remaining, 112.167969 MB of memory in use. ENERGY: 483400 648.3737 1824.9378 1995.3195 114.3796 0.3966 -1042.8915 0.0000 0.0000 2745.9640 6286.4797 303.2994 3540.5157 6319.4902 302.5131 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: 1912.3, 0.00394684/step Wall: 1912.3, 0.00394684/step, 2.21067 hours remaining, 112.167969 MB of memory in use. ENERGY: 483600 663.3396 1871.2538 1996.6952 106.1257 2.2721 -1087.8571 0.0000 0.0000 2724.4816 6276.3109 300.9266 3551.8293 6313.1691 300.9348 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: 1913.09, 0.00395326/step Wall: 1913.09, 0.00395326/step, 2.21405 hours remaining, 112.167969 MB of memory in use. ENERGY: 483800 659.2850 1867.4382 1998.5838 100.7454 0.2983 -1055.5252 0.0000 0.0000 2719.3564 6290.1820 300.3605 3570.8256 6324.8447 301.4404 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: 1913.88, 0.003951/step Wall: 1913.88, 0.003951/step, 2.21256 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 484000 643.0418 1845.4499 2009.8637 120.3409 1.3033 -1044.3401 0.0000 0.0000 2684.5516 6260.2111 296.5162 3575.6594 6293.5811 298.9841 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: 1914.67, 0.00395245/step Wall: 1914.67, 0.00395245/step, 2.21315 hours remaining, 112.167969 MB of memory in use. ENERGY: 484200 652.7214 1807.0551 2024.3914 97.0325 0.8494 -1015.0623 0.0000 0.0000 2728.2787 6295.2662 301.3460 3566.9875 6329.1266 299.2631 LDB: ============= START OF LOAD BALANCING ============== 1917.63 LDB: ============== END OF LOAD BALANCING =============== 1917.63 LDB: =============== DONE WITH MIGRATION ================ 1917.63 LDB: ============= START OF LOAD BALANCING ============== 1918.03 LDB: ============== END OF LOAD BALANCING =============== 1918.03 LDB: =============== DONE WITH MIGRATION ================ 1918.03 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: 1915.47, 0.00395923/step Wall: 1915.47, 0.00395923/step, 2.21673 hours remaining, 112.167969 MB of memory in use. ENERGY: 484400 657.4456 1778.1672 2026.6450 106.0557 1.1001 -1049.9478 0.0000 0.0000 2759.4751 6278.9411 304.7917 3519.4659 6314.7107 301.7269 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: 1916.26, 0.0039481/step Wall: 1916.26, 0.0039481/step, 2.21028 hours remaining, 112.167969 MB of memory in use. ENERGY: 484600 636.8995 1840.2089 2009.8841 117.1067 0.8042 -1068.8438 0.0000 0.0000 2744.7915 6280.8511 303.1699 3536.0597 6314.3165 300.1198 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: 1917.05, 0.00395605/step Wall: 1917.05, 0.00395605/step, 2.21451 hours remaining, 112.167969 MB of memory in use. ENERGY: 484800 632.3882 1829.8133 2017.3270 111.3096 -0.0142 -1044.7790 0.0000 0.0000 2732.9836 6279.0287 301.8657 3546.0450 6312.7864 299.5657 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: 1917.84, 0.00395423/step Wall: 1917.84, 0.00395423/step, 2.21327 hours remaining, 112.167969 MB of memory in use. ENERGY: 485000 664.6907 1859.5813 2004.7044 107.1585 1.8618 -1092.3551 0.0000 0.0000 2753.4850 6299.1265 304.1301 3545.6415 6332.4044 299.4042 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: 1918.63, 0.00395414/step Wall: 1918.63, 0.00395414/step, 2.213 hours remaining, 112.167969 MB of memory in use. ENERGY: 485200 676.7912 1828.5447 2041.3102 106.7550 0.0842 -1094.4655 0.0000 0.0000 2729.5840 6288.6038 301.4902 3559.0198 6323.7863 299.6374 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: 1919.42, 0.00395359/step Wall: 1919.42, 0.00395359/step, 2.21247 hours remaining, 112.167969 MB of memory in use. ENERGY: 485400 677.2050 1873.3320 2011.5057 108.2343 1.2628 -1111.4678 0.0000 0.0000 2710.9241 6270.9961 299.4291 3560.0719 6303.2069 299.9474 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: 1920.21, 0.00394844/step Wall: 1920.21, 0.00394843/step, 2.20937 hours remaining, 112.167969 MB of memory in use. ENERGY: 485600 656.6382 1838.8419 2020.5881 105.9956 2.2011 -1096.5836 0.0000 0.0000 2721.7849 6249.4663 300.6287 3527.6813 6282.8790 300.2812 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: 1921, 0.00395313/step Wall: 1921, 0.00395313/step, 2.21178 hours remaining, 112.167969 MB of memory in use. ENERGY: 485800 666.1080 1808.3569 1974.5989 108.8403 0.6160 -1053.2990 0.0000 0.0000 2724.1676 6229.3887 300.8919 3505.2211 6263.2855 298.8949 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: 1921.79, 0.00395224/step Wall: 1921.79, 0.00395224/step, 2.21106 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 486000 663.1245 1900.6097 1985.7426 102.6073 1.2070 -1073.9023 0.0000 0.0000 2716.8676 6296.2565 300.0856 3579.3889 6328.2753 299.9559 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: 1922.58, 0.00395166/step Wall: 1922.58, 0.00395166/step, 2.21051 hours remaining, 112.167969 MB of memory in use. ENERGY: 486200 657.0428 1865.1217 2006.9190 109.8535 0.9183 -1080.0542 0.0000 0.0000 2769.7620 6329.5631 305.9279 3559.8011 6364.0104 303.2790 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: 1923.37, 0.00394517/step Wall: 1923.37, 0.00394517/step, 2.20667 hours remaining, 112.167969 MB of memory in use. ENERGY: 486400 656.2080 1793.3901 2013.1538 121.9050 1.1548 -1046.2988 0.0000 0.0000 2751.9567 6291.4696 303.9613 3539.5128 6326.2397 302.9955 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: 1924.16, 0.00395073/step Wall: 1924.16, 0.00395073/step, 2.20956 hours remaining, 112.167969 MB of memory in use. ENERGY: 486600 646.9490 1797.6302 2006.9253 114.6409 2.1121 -1063.8126 0.0000 0.0000 2746.4525 6250.8974 303.3533 3504.4449 6285.9903 301.4074 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: 1924.95, 0.00394981/step Wall: 1924.95, 0.00394981/step, 2.20882 hours remaining, 112.167969 MB of memory in use. ENERGY: 486800 696.4965 1795.5767 1992.7380 104.5605 0.6040 -1089.3326 0.0000 0.0000 2770.9165 6271.5595 306.0554 3500.6431 6308.0594 301.0073 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: 1925.74, 0.00395301/step Wall: 1925.74, 0.00395301/step, 2.21039 hours remaining, 112.167969 MB of memory in use. ENERGY: 487000 633.1635 1850.8589 2003.5683 111.1873 0.5052 -1085.3228 0.0000 0.0000 2706.2905 6220.2510 298.9173 3513.9605 6253.0182 298.6408 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: 1926.53, 0.00395224/step Wall: 1926.53, 0.00395223/step, 2.20974 hours remaining, 112.167969 MB of memory in use. ENERGY: 487200 656.0941 1833.6807 1982.5148 94.4010 0.6542 -1072.1790 0.0000 0.0000 2705.2709 6200.4366 298.8047 3495.1658 6232.6147 297.4914 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: 1927.32, 0.003945/step Wall: 1927.32, 0.003945/step, 2.20547 hours remaining, 112.167969 MB of memory in use. ENERGY: 487400 656.4587 1840.6484 1983.6599 107.1130 1.0275 -1057.3897 0.0000 0.0000 2701.6284 6233.1462 298.4024 3531.5178 6266.7667 299.1113 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: 1928.11, 0.00395103/step Wall: 1928.11, 0.00395103/step, 2.20863 hours remaining, 112.167969 MB of memory in use. ENERGY: 487600 668.2479 1848.5749 1992.6665 110.0361 1.3438 -1027.3412 0.0000 0.0000 2703.1077 6296.6357 298.5658 3593.5280 6327.2257 299.3193 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: 1928.9, 0.00395113/step Wall: 1928.9, 0.00395113/step, 2.20846 hours remaining, 112.167969 MB of memory in use. ENERGY: 487800 654.9375 1889.5671 1978.3933 107.5522 2.5976 -1062.8103 0.0000 0.0000 2699.7506 6269.9878 298.1950 3570.2373 6302.5161 302.4267 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: 1929.69, 0.00395521/step Wall: 1929.69, 0.00395521/step, 2.21052 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 488000 621.1072 1828.1648 2001.4964 111.1527 0.9313 -1066.5403 0.0000 0.0000 2720.5057 6216.8178 300.4874 3496.3121 6248.9865 297.6113 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: 1930.48, 0.00394982/step Wall: 1930.48, 0.00394982/step, 2.20729 hours remaining, 112.167969 MB of memory in use. ENERGY: 488200 659.1758 1824.7744 2000.0630 115.5344 1.0444 -1072.0089 0.0000 0.0000 2660.8423 6189.4252 293.8974 3528.5830 6218.8177 297.2225 LDB: ============= START OF LOAD BALANCING ============== 1933.44 LDB: ============== END OF LOAD BALANCING =============== 1933.44 LDB: =============== DONE WITH MIGRATION ================ 1933.44 LDB: ============= START OF LOAD BALANCING ============== 1933.84 LDB: ============== END OF LOAD BALANCING =============== 1933.84 LDB: =============== DONE WITH MIGRATION ================ 1933.84 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: 1931.27, 0.00395415/step Wall: 1931.27, 0.00395415/step, 2.20949 hours remaining, 112.167969 MB of memory in use. ENERGY: 488400 620.9646 1803.9763 2022.2601 120.2419 2.7626 -1063.8356 0.0000 0.0000 2726.7285 6233.0985 301.1748 3506.3699 6266.0533 296.4372 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: 1932.06, 0.00395026/step Wall: 1932.06, 0.00395027/step, 2.2071 hours remaining, 112.167969 MB of memory in use. ENERGY: 488600 641.1967 1799.4179 1990.8429 105.6589 1.9434 -1037.1224 0.0000 0.0000 2658.1975 6160.1350 293.6053 3501.9375 6191.2697 296.0714 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: 1932.85, 0.00395023/step Wall: 1932.85, 0.00395023/step, 2.20686 hours remaining, 112.167969 MB of memory in use. ENERGY: 488800 643.1943 1843.8168 2012.2963 106.7794 2.6404 -1074.2281 0.0000 0.0000 2632.8373 6167.3363 290.8042 3534.4990 6198.7766 293.7003 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: 1933.64, 0.0039518/step Wall: 1933.64, 0.0039518/step, 2.20752 hours remaining, 112.167969 MB of memory in use. ENERGY: 489000 676.3264 1812.5367 1971.5973 112.7377 0.9029 -1079.0559 0.0000 0.0000 2685.2693 6180.3144 296.5955 3495.0451 6211.1090 295.4817 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: 1934.43, 0.00395034/step Wall: 1934.43, 0.00395034/step, 2.20649 hours remaining, 112.167969 MB of memory in use. ENERGY: 489200 649.9295 1866.9002 2020.6158 102.3063 0.8480 -1067.9265 0.0000 0.0000 2644.9055 6217.5788 292.1372 3572.6733 6250.8458 297.1571 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: 1935.22, 0.00394763/step Wall: 1935.22, 0.00394763/step, 2.20475 hours remaining, 112.167969 MB of memory in use. ENERGY: 489400 650.0144 1824.4129 1991.8086 104.5292 1.1206 -1059.5445 0.0000 0.0000 2698.9773 6211.3186 298.1096 3512.3412 6246.3375 296.0131 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: 1936.01, 0.00394971/step Wall: 1936.01, 0.00394971/step, 2.20569 hours remaining, 112.167969 MB of memory in use. ENERGY: 489600 647.3757 1832.5590 1997.1869 106.0884 0.2238 -1054.0389 0.0000 0.0000 2640.9479 6170.3428 291.7001 3529.3948 6201.7209 294.3464 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: 1936.8, 0.00394969/step Wall: 1936.8, 0.00394969/step, 2.20546 hours remaining, 112.167969 MB of memory in use. ENERGY: 489800 651.9994 1796.8270 1999.4314 101.2855 1.0166 -1058.5880 0.0000 0.0000 2725.7580 6217.7299 301.0676 3491.9719 6252.1004 297.4275 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: 1937.59, 0.00395128/step Wall: 1937.59, 0.00395127/step, 2.20613 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 490000 678.4636 1834.1023 1984.2593 93.7575 1.0217 -1039.4727 0.0000 0.0000 2666.0811 6218.2127 294.4761 3552.1317 6251.0327 296.8837 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 490000 WRITING COORDINATES TO DCD FILE MD.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: 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: 1938.76, 0.00583079/step Wall: 1938.76, 0.0058308/step, 3.25521 hours remaining, 112.167969 MB of memory in use. ENERGY: 490200 645.2607 1809.4083 2005.0570 110.7577 1.1088 -1029.2935 0.0000 0.0000 2691.9548 6234.2538 297.3339 3542.2990 6267.6628 297.0642 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: 1939.55, 0.00395015/step Wall: 1939.55, 0.00395015/step, 2.20506 hours remaining, 112.167969 MB of memory in use. ENERGY: 490400 653.9290 1829.9012 1990.8373 99.5437 0.9813 -1084.6466 0.0000 0.0000 2686.4171 6176.9631 296.7223 3490.5460 6208.3699 296.1856 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: 1940.34, 0.00394512/step Wall: 1940.34, 0.00394512/step, 2.20203 hours remaining, 112.167969 MB of memory in use. ENERGY: 490600 664.3141 1812.7099 2007.6983 104.7902 0.1636 -1036.6958 0.0000 0.0000 2678.4882 6231.4686 295.8465 3552.9804 6262.2704 297.4501 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: 1941.13, 0.00394946/step Wall: 1941.13, 0.00394946/step, 2.20423 hours remaining, 112.167969 MB of memory in use. ENERGY: 490800 654.9049 1845.6371 1981.1216 100.8391 -0.2712 -1067.1281 0.0000 0.0000 2720.2841 6235.3876 300.4630 3515.1034 6267.0858 297.4601 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: 1941.92, 0.00394873/step Wall: 1941.92, 0.00394873/step, 2.20361 hours remaining, 112.167969 MB of memory in use. ENERGY: 491000 600.2798 1892.7166 2000.5486 99.7969 -0.5537 -1081.9020 0.0000 0.0000 2673.3846 6184.2709 295.2828 3510.8863 6216.4882 297.1056 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: 1942.71, 0.00394917/step Wall: 1942.71, 0.00394917/step, 2.20364 hours remaining, 112.167969 MB of memory in use. ENERGY: 491200 648.1100 1825.7201 1991.7766 103.9514 0.1500 -1070.3541 0.0000 0.0000 2682.8071 6182.1610 296.3235 3499.3540 6214.8484 293.8409 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: 1943.5, 0.00394852/step Wall: 1943.5, 0.00394852/step, 2.20306 hours remaining, 112.167969 MB of memory in use. ENERGY: 491400 658.1411 1818.9510 1993.6750 125.2948 0.9330 -1070.2764 0.0000 0.0000 2718.1294 6244.8479 300.2250 3526.7185 6278.6750 296.6455 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: 1944.29, 0.00394653/step Wall: 1944.29, 0.00394653/step, 2.20172 hours remaining, 112.167969 MB of memory in use. ENERGY: 491600 644.6234 1816.1620 2015.5081 120.2328 1.1448 -1060.4556 0.0000 0.0000 2632.3452 6169.5607 290.7499 3537.2155 6198.2395 295.6340 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: 1945.08, 0.00395116/step Wall: 1945.08, 0.00395116/step, 2.20409 hours remaining, 112.167969 MB of memory in use. ENERGY: 491800 642.3982 1857.4767 2004.5224 113.1181 0.5348 -1081.7027 0.0000 0.0000 2673.1864 6209.5339 295.2609 3536.3474 6244.7400 295.5989 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: 1945.87, 0.00394889/step Wall: 1945.87, 0.00394889/step, 2.2026 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 492000 642.6895 1835.5581 2020.3528 106.1397 0.0624 -1094.8409 0.0000 0.0000 2720.2056 6230.1671 300.4543 3509.9615 6262.2181 299.8097 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: 1946.66, 0.00394923/step Wall: 1946.66, 0.00394923/step, 2.20258 hours remaining, 112.167969 MB of memory in use. ENERGY: 492200 645.8144 1834.6414 2004.5736 111.1905 0.1330 -1066.1947 0.0000 0.0000 2658.3160 6188.4743 293.6184 3530.1583 6218.5766 300.2236 LDB: ============= START OF LOAD BALANCING ============== 1949.62 LDB: ============== END OF LOAD BALANCING =============== 1949.62 LDB: =============== DONE WITH MIGRATION ================ 1949.62 LDB: ============= START OF LOAD BALANCING ============== 1950.01 LDB: ============== END OF LOAD BALANCING =============== 1950.01 LDB: =============== DONE WITH MIGRATION ================ 1950.01 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: 1947.45, 0.00395187/step Wall: 1947.45, 0.00395187/step, 2.20383 hours remaining, 112.167969 MB of memory in use. ENERGY: 492400 625.4723 1849.4123 2023.1116 114.7345 0.7502 -1075.8002 0.0000 0.0000 2699.0238 6236.7044 298.1147 3537.6806 6266.7134 297.4611 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: 1948.24, 0.00395019/step Wall: 1948.24, 0.00395019/step, 2.20267 hours remaining, 112.167969 MB of memory in use. ENERGY: 492600 661.4966 1845.8231 1984.7723 94.1103 -0.8656 -1063.0239 0.0000 0.0000 2704.0193 6226.3322 298.6665 3522.3129 6260.6980 298.1405 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: 1949.03, 0.00395007/step Wall: 1949.03, 0.00395007/step, 2.20239 hours remaining, 112.167969 MB of memory in use. ENERGY: 492800 641.8346 1834.9261 2006.8807 107.0609 0.9726 -1070.6618 0.0000 0.0000 2724.3788 6245.3919 300.9152 3521.0131 6277.0812 298.2695 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: 1949.82, 0.00395028/step Wall: 1949.82, 0.00395028/step, 2.20228 hours remaining, 112.167969 MB of memory in use. ENERGY: 493000 596.1342 1849.5814 2041.0334 107.1292 0.5098 -1051.9225 0.0000 0.0000 2657.0516 6199.5172 293.4787 3542.4656 6234.4479 297.6346 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: 1950.61, 0.00395008/step Wall: 1950.61, 0.00395008/step, 2.20195 hours remaining, 112.167969 MB of memory in use. ENERGY: 493200 675.1806 1823.2829 2013.2856 116.6881 -0.2978 -1059.5214 0.0000 0.0000 2637.2332 6205.8512 291.2898 3568.6181 6238.5776 295.5514 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: 1951.4, 0.0039491/step Wall: 1951.4, 0.0039491/step, 2.20118 hours remaining, 112.167969 MB of memory in use. ENERGY: 493400 646.8312 1826.8460 2018.5136 108.7660 0.9188 -1037.6273 0.0000 0.0000 2677.3357 6241.5839 295.7192 3564.2482 6273.0925 297.1731 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: 1952.19, 0.00395168/step Wall: 1952.19, 0.00395168/step, 2.2024 hours remaining, 112.167969 MB of memory in use. ENERGY: 493600 655.9541 1803.4771 1983.7255 99.6516 0.3297 -1027.0582 0.0000 0.0000 2746.6578 6262.7377 303.3760 3516.0798 6296.2447 298.4608 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: 1952.98, 0.00394911/step Wall: 1952.98, 0.00394911/step, 2.20075 hours remaining, 112.167969 MB of memory in use. ENERGY: 493800 658.6778 1838.0150 2002.1391 98.9162 0.4484 -1067.8606 0.0000 0.0000 2701.0460 6231.3819 298.3381 3530.3360 6267.1376 297.7510 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: 1953.77, 0.00395039/step Wall: 1953.77, 0.00395039/step, 2.20125 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 494000 657.9768 1800.3430 2009.3642 108.0319 -0.1052 -1080.0076 0.0000 0.0000 2674.0078 6169.6111 295.3516 3495.6033 6203.6088 296.8813 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: 1954.56, 0.00395219/step Wall: 1954.56, 0.00395219/step, 2.20203 hours remaining, 112.167969 MB of memory in use. ENERGY: 494200 665.7803 1835.7595 1986.7183 106.3037 -0.2055 -1078.9972 0.0000 0.0000 2738.6876 6254.0466 302.4957 3515.3590 6289.3123 297.7847 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: 1955.35, 0.00394708/step Wall: 1955.35, 0.00394708/step, 2.19896 hours remaining, 112.167969 MB of memory in use. ENERGY: 494400 674.7242 1852.2672 2017.2987 116.5845 -0.0347 -1072.1134 0.0000 0.0000 2700.3823 6289.1088 298.2648 3588.7265 6322.0095 298.6899 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: 1956.14, 0.00394882/step Wall: 1956.14, 0.00394882/step, 2.19971 hours remaining, 112.167969 MB of memory in use. ENERGY: 494600 666.6433 1803.0568 2020.6749 106.2134 0.6605 -1064.2691 0.0000 0.0000 2704.7534 6237.7332 298.7475 3532.9798 6273.2925 298.2654 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: 1956.93, 0.0039475/step Wall: 1956.93, 0.0039475/step, 2.19875 hours remaining, 112.167969 MB of memory in use. ENERGY: 494800 684.8138 1841.3276 2026.9216 103.2309 -0.2334 -1053.5624 0.0000 0.0000 2605.2851 6207.7833 287.7610 3602.4982 6238.7579 298.1818 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: 1957.72, 0.00394988/step Wall: 1957.72, 0.00394988/step, 2.19986 hours remaining, 112.167969 MB of memory in use. ENERGY: 495000 653.2002 1839.4829 1989.3282 110.5922 -0.1432 -1082.9371 0.0000 0.0000 2711.7106 6221.2338 299.5160 3509.5232 6256.2538 296.2867 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: 1958.51, 0.00394876/step Wall: 1958.51, 0.00394876/step, 2.19902 hours remaining, 112.167969 MB of memory in use. ENERGY: 495200 656.7268 1815.6043 1987.8211 109.3586 1.2927 -1052.6509 0.0000 0.0000 2727.8029 6245.9555 301.2934 3518.1526 6279.5312 299.4954 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: 1959.29, 0.00394606/step Wall: 1959.29, 0.00394606/step, 2.1973 hours remaining, 112.167969 MB of memory in use. ENERGY: 495400 660.5917 1819.3921 1975.8424 97.6158 1.2935 -1075.1470 0.0000 0.0000 2745.6077 6225.1961 303.2600 3479.5885 6255.8397 297.4077 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: 1960.08, 0.00394807/step Wall: 1960.08, 0.00394808/step, 2.1982 hours remaining, 112.167969 MB of memory in use. ENERGY: 495600 665.7894 1871.4338 2013.3834 114.4852 -0.9163 -1074.4556 0.0000 0.0000 2673.4258 6263.1456 295.2873 3589.7199 6295.1485 299.1231 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: 1960.87, 0.00395048/step Wall: 1960.87, 0.00395048/step, 2.19932 hours remaining, 112.167969 MB of memory in use. ENERGY: 495800 670.8529 1848.8040 1996.5857 110.1513 -0.2199 -1099.1518 0.0000 0.0000 2756.4890 6283.5111 304.4619 3527.0221 6316.7174 300.7699 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: 1961.67, 0.00395738/step Wall: 1961.67, 0.00395739/step, 2.20295 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 496000 658.9633 1836.2407 2027.1976 111.0121 0.9805 -1026.1855 0.0000 0.0000 2699.8286 6308.0374 298.2036 3608.2087 6335.9185 300.3686 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: 1962.46, 0.00395059/step Wall: 1962.46, 0.00395059/step, 2.19894 hours remaining, 112.167969 MB of memory in use. ENERGY: 496200 659.5140 1836.5884 2028.9017 113.8760 2.4318 -1078.5276 0.0000 0.0000 2734.1407 6296.9250 301.9935 3562.7843 6329.1196 302.0832 LDB: ============= START OF LOAD BALANCING ============== 1965.42 LDB: ============== END OF LOAD BALANCING =============== 1965.42 LDB: =============== DONE WITH MIGRATION ================ 1965.42 LDB: ============= START OF LOAD BALANCING ============== 1965.81 LDB: ============== END OF LOAD BALANCING =============== 1965.81 LDB: =============== DONE WITH MIGRATION ================ 1965.81 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: 1963.25, 0.00395635/step Wall: 1963.25, 0.00395635/step, 2.20193 hours remaining, 112.167969 MB of memory in use. ENERGY: 496400 685.4441 1822.0027 2011.8232 110.6503 0.7148 -1079.2569 0.0000 0.0000 2731.0985 6282.4767 301.6574 3551.3782 6315.4606 301.5090 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: 1964.04, 0.00395464/step Wall: 1964.04, 0.00395464/step, 2.20076 hours remaining, 112.167969 MB of memory in use. ENERGY: 496600 638.2102 1816.7656 1990.4199 106.3269 1.0391 -1029.9159 0.0000 0.0000 2755.9993 6278.8451 304.4078 3522.8458 6312.5677 299.0864 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: 1964.89, 0.00426067/step Wall: 1964.89, 0.00426067/step, 2.37082 hours remaining, 112.167969 MB of memory in use. ENERGY: 496800 664.1173 1865.4968 1998.6711 105.3922 -0.6971 -1057.7559 0.0000 0.0000 2733.1913 6308.4157 301.8886 3575.2244 6344.0758 301.5624 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: 1965.68, 0.00394868/step Wall: 1965.68, 0.00394869/step, 2.19701 hours remaining, 112.167969 MB of memory in use. ENERGY: 497000 653.1670 1856.1780 2036.3174 93.7244 -0.0732 -1026.8318 0.0000 0.0000 2710.1873 6322.6692 299.3477 3612.4818 6355.5411 302.5831 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: 1966.47, 0.00394868/step Wall: 1966.47, 0.00394868/step, 2.19678 hours remaining, 112.167969 MB of memory in use. ENERGY: 497200 626.8302 1802.5506 2020.7145 118.4476 -0.1997 -1030.2244 0.0000 0.0000 2735.4612 6273.5799 302.1393 3538.1187 6307.4168 300.7947 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: 1967.26, 0.00395065/step Wall: 1967.26, 0.00395065/step, 2.19766 hours remaining, 112.167969 MB of memory in use. ENERGY: 497400 664.4679 1874.0451 2033.7591 111.9447 -0.3694 -1067.9907 0.0000 0.0000 2686.3959 6302.2526 296.7199 3615.8567 6332.8652 300.0741 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: 1968.05, 0.00395169/step Wall: 1968.05, 0.00395169/step, 2.19802 hours remaining, 112.167969 MB of memory in use. ENERGY: 497600 661.5130 1860.6523 1989.6796 111.4572 1.1090 -1053.0827 0.0000 0.0000 2785.3902 6356.7187 307.6541 3571.3284 6392.3299 303.4078 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: 1968.84, 0.00395369/step Wall: 1968.84, 0.00395369/step, 2.19891 hours remaining, 112.167969 MB of memory in use. ENERGY: 497800 650.1240 1894.5397 1993.5369 104.5801 1.9323 -1053.7891 0.0000 0.0000 2740.6037 6331.5277 302.7073 3590.9240 6366.1425 303.7655 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: 1969.63, 0.00395129/step Wall: 1969.63, 0.00395129/step, 2.19736 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 498000 623.9848 1862.3967 2016.3964 116.9447 2.2808 -1102.8863 0.0000 0.0000 2803.2915 6322.4086 309.6314 3519.1171 6358.2920 303.6759 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: 1970.42, 0.00394793/step Wall: 1970.42, 0.00394792/step, 2.19526 hours remaining, 112.167969 MB of memory in use. ENERGY: 498200 648.5154 1845.5398 2034.2416 115.2665 1.6693 -1084.8461 0.0000 0.0000 2745.4356 6305.8222 303.2410 3560.3866 6338.9220 303.1692 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: 1971.21, 0.00395259/step Wall: 1971.21, 0.00395259/step, 2.19764 hours remaining, 112.167969 MB of memory in use. ENERGY: 498400 693.0214 1803.6950 1999.4806 111.5652 2.2030 -1072.3191 0.0000 0.0000 2742.7978 6280.4439 302.9497 3537.6461 6314.5397 301.5234 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: 1972, 0.00395031/step Wall: 1972, 0.00395031/step, 2.19615 hours remaining, 112.167969 MB of memory in use. ENERGY: 498600 655.2713 1866.6278 2008.3304 111.6439 3.0172 -1042.5772 0.0000 0.0000 2678.5834 6280.8968 295.8570 3602.3134 6313.5044 301.0780 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: 1972.79, 0.00395192/step Wall: 1972.79, 0.00395192/step, 2.19683 hours remaining, 112.167969 MB of memory in use. ENERGY: 498800 665.4604 1877.6873 1984.4119 97.0558 1.7399 -1076.4978 0.0000 0.0000 2738.9633 6288.8207 302.5261 3549.8574 6322.3443 300.5079 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: 1973.58, 0.0039516/step Wall: 1973.58, 0.0039516/step, 2.19643 hours remaining, 112.167969 MB of memory in use. ENERGY: 499000 664.8200 1871.5766 2055.9473 97.5621 2.2406 -1043.4992 0.0000 0.0000 2688.9821 6337.6294 297.0056 3648.6474 6369.8505 301.6935 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: 1974.37, 0.00394579/step Wall: 1974.37, 0.00394579/step, 2.19298 hours remaining, 112.167969 MB of memory in use. ENERGY: 499200 654.6870 1790.5913 2019.8811 101.6200 0.9552 -1034.2645 0.0000 0.0000 2689.3285 6222.7986 297.0438 3533.4701 6255.7083 299.4916 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: 1975.16, 0.00395216/step Wall: 1975.16, 0.00395216/step, 2.1963 hours remaining, 112.167969 MB of memory in use. ENERGY: 499400 608.7111 1811.5367 2038.4623 103.2892 1.4887 -1040.7026 0.0000 0.0000 2674.0842 6196.8696 295.3601 3522.7854 6228.7389 295.5572 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: 1975.95, 0.00395109/step Wall: 1975.95, 0.00395109/step, 2.19549 hours remaining, 112.167969 MB of memory in use. ENERGY: 499600 624.7162 1818.8842 2018.9845 107.3868 1.3296 -1052.6522 0.0000 0.0000 2681.2721 6199.9211 296.1540 3518.6490 6232.8066 297.6448 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: 1976.74, 0.00395159/step Wall: 1976.74, 0.00395159/step, 2.19555 hours remaining, 112.167969 MB of memory in use. ENERGY: 499800 612.6545 1820.3165 1989.8485 118.8306 1.5081 -1051.0787 0.0000 0.0000 2674.4533 6166.5327 295.4008 3492.0795 6197.3451 296.6509 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: 1977.53, 0.00395156/step Wall: 1977.53, 0.00395156/step, 2.19531 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 500000 652.9788 1822.1712 2012.1707 101.2481 2.1869 -1037.3236 0.0000 0.0000 2702.1265 6255.5587 298.4574 3553.4322 6288.4282 296.4835 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.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 PRESSURE: 500200 0 0 0 0 0 0 0 0 0 GPRESSURE: 500200 0 0 0 0 0 0 0 0 0 PRESSAVG: 500200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 500200 0 0 0 0 0 0 0 0 0 TIMING: 500200 CPU: 1978.38, 0.00425213/step Wall: 1978.38, 0.00425213/step, 2.36206 hours remaining, 112.167969 MB of memory in use. ENERGY: 500200 658.1116 1845.3263 1984.3298 106.4165 1.5468 -1017.7623 0.0000 0.0000 2716.7730 6294.7418 300.0751 3577.9688 6326.9165 299.0546 LDB: ============= START OF LOAD BALANCING ============== 1981.34 LDB: ============== END OF LOAD BALANCING =============== 1981.34 LDB: =============== DONE WITH MIGRATION ================ 1981.34 LDB: ============= START OF LOAD BALANCING ============== 1981.74 LDB: ============== END OF LOAD BALANCING =============== 1981.74 LDB: =============== DONE WITH MIGRATION ================ 1981.74 PRESSURE: 500400 0 0 0 0 0 0 0 0 0 GPRESSURE: 500400 0 0 0 0 0 0 0 0 0 PRESSAVG: 500400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 500400 0 0 0 0 0 0 0 0 0 TIMING: 500400 CPU: 1979.18, 0.0039664/step Wall: 1979.18, 0.0039664/step, 2.20312 hours remaining, 112.167969 MB of memory in use. ENERGY: 500400 660.5766 1840.2048 2029.4811 119.5666 1.3598 -1085.4230 0.0000 0.0000 2687.6156 6253.3816 296.8546 3565.7660 6286.8898 298.0033 PRESSURE: 500600 0 0 0 0 0 0 0 0 0 GPRESSURE: 500600 0 0 0 0 0 0 0 0 0 PRESSAVG: 500600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 500600 0 0 0 0 0 0 0 0 0 TIMING: 500600 CPU: 1979.97, 0.00394803/step Wall: 1979.97, 0.00394803/step, 2.19269 hours remaining, 112.167969 MB of memory in use. ENERGY: 500600 647.6253 1828.7829 2012.9888 112.1354 0.8125 -1054.7318 0.0000 0.0000 2725.8190 6273.4320 301.0743 3547.6131 6304.2324 298.7155 PRESSURE: 500800 0 0 0 0 0 0 0 0 0 GPRESSURE: 500800 0 0 0 0 0 0 0 0 0 PRESSAVG: 500800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 500800 0 0 0 0 0 0 0 0 0 TIMING: 500800 CPU: 1980.75, 0.00394643/step Wall: 1980.75, 0.00394643/step, 2.19158 hours remaining, 112.167969 MB of memory in use. ENERGY: 500800 660.5323 1828.8309 1992.6918 111.3445 2.5328 -1068.9757 0.0000 0.0000 2717.1875 6244.1440 300.1209 3526.9566 6278.0899 296.8884 PRESSURE: 501000 0 0 0 0 0 0 0 0 0 GPRESSURE: 501000 0 0 0 0 0 0 0 0 0 PRESSAVG: 501000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 501000 0 0 0 0 0 0 0 0 0 TIMING: 501000 CPU: 1981.54, 0.00394742/step Wall: 1981.54, 0.00394742/step, 2.19192 hours remaining, 112.167969 MB of memory in use. ENERGY: 501000 636.1419 1859.7802 2029.2958 115.0709 2.4163 -1088.6597 0.0000 0.0000 2664.3113 6218.3569 294.2806 3554.0455 6251.9860 297.9716 PRESSURE: 501200 0 0 0 0 0 0 0 0 0 GPRESSURE: 501200 0 0 0 0 0 0 0 0 0 PRESSAVG: 501200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 501200 0 0 0 0 0 0 0 0 0 TIMING: 501200 CPU: 1982.33, 0.00394581/step Wall: 1982.33, 0.00394581/step, 2.1908 hours remaining, 112.167969 MB of memory in use. ENERGY: 501200 623.5034 1897.5466 2048.1560 124.9553 0.8232 -1073.7871 0.0000 0.0000 2696.1690 6317.3663 297.7994 3621.1974 6352.2996 300.0736 PRESSURE: 501400 0 0 0 0 0 0 0 0 0 GPRESSURE: 501400 0 0 0 0 0 0 0 0 0 PRESSAVG: 501400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 501400 0 0 0 0 0 0 0 0 0 TIMING: 501400 CPU: 1983.12, 0.00394641/step Wall: 1983.12, 0.00394641/step, 2.19091 hours remaining, 112.167969 MB of memory in use. ENERGY: 501400 648.0142 1859.3352 2036.0119 133.7487 1.1450 -1062.0808 0.0000 0.0000 2738.5492 6354.7234 302.4804 3616.1742 6388.6865 301.1940 PRESSURE: 501600 0 0 0 0 0 0 0 0 0 GPRESSURE: 501600 0 0 0 0 0 0 0 0 0 PRESSAVG: 501600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 501600 0 0 0 0 0 0 0 0 0 TIMING: 501600 CPU: 1983.91, 0.00394417/step Wall: 1983.91, 0.00394417/step, 2.18945 hours remaining, 112.167969 MB of memory in use. ENERGY: 501600 672.9902 1833.2571 2044.2778 117.3559 0.8094 -1078.0356 0.0000 0.0000 2701.6935 6292.3482 298.4096 3590.6547 6326.8675 302.4675 PRESSURE: 501800 0 0 0 0 0 0 0 0 0 GPRESSURE: 501800 0 0 0 0 0 0 0 0 0 PRESSAVG: 501800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 501800 0 0 0 0 0 0 0 0 0 TIMING: 501800 CPU: 1984.7, 0.00394596/step Wall: 1984.7, 0.00394596/step, 2.19023 hours remaining, 112.167969 MB of memory in use. ENERGY: 501800 646.3933 1844.3463 2019.4079 92.3761 0.3774 -1075.7550 0.0000 0.0000 2716.1019 6243.2479 300.0010 3527.1461 6278.3859 299.8620 PRESSURE: 502000 0 0 0 0 0 0 0 0 0 GPRESSURE: 502000 0 0 0 0 0 0 0 0 0 PRESSAVG: 502000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 502000 0 0 0 0 0 0 0 0 0 TIMING: 502000 CPU: 1985.49, 0.00394721/step Wall: 1985.49, 0.00394722/step, 2.1907 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 502000 646.2512 1877.9633 2010.7375 97.0805 0.3609 -1082.7056 0.0000 0.0000 2712.1309 6261.8187 299.5624 3549.6878 6293.5443 299.0262 PRESSURE: 502200 0 0 0 0 0 0 0 0 0 GPRESSURE: 502200 0 0 0 0 0 0 0 0 0 PRESSAVG: 502200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 502200 0 0 0 0 0 0 0 0 0 TIMING: 502200 CPU: 1986.28, 0.00394696/step Wall: 1986.28, 0.00394696/step, 2.19034 hours remaining, 112.167969 MB of memory in use. ENERGY: 502200 697.1347 1869.9676 1974.5856 108.0507 0.5614 -1106.0467 0.0000 0.0000 2731.4970 6275.7503 301.7014 3544.2533 6306.5378 299.5099 PRESSURE: 502400 0 0 0 0 0 0 0 0 0 GPRESSURE: 502400 0 0 0 0 0 0 0 0 0 PRESSAVG: 502400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 502400 0 0 0 0 0 0 0 0 0 TIMING: 502400 CPU: 1987.07, 0.00394707/step Wall: 1987.07, 0.00394707/step, 2.19019 hours remaining, 112.167969 MB of memory in use. ENERGY: 502400 671.0712 1855.6942 2017.3958 120.5201 0.6542 -1116.0759 0.0000 0.0000 2714.5417 6263.8012 299.8287 3549.2595 6296.2937 301.6430 PRESSURE: 502600 0 0 0 0 0 0 0 0 0 GPRESSURE: 502600 0 0 0 0 0 0 0 0 0 PRESSAVG: 502600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 502600 0 0 0 0 0 0 0 0 0 TIMING: 502600 CPU: 1987.86, 0.00394524/step Wall: 1987.86, 0.00394524/step, 2.18895 hours remaining, 112.167969 MB of memory in use. ENERGY: 502600 652.4423 1862.2965 1994.4522 98.3352 0.2696 -1068.3598 0.0000 0.0000 2708.1016 6247.5374 299.1174 3539.4358 6283.8993 299.7745 PRESSURE: 502800 0 0 0 0 0 0 0 0 0 GPRESSURE: 502800 0 0 0 0 0 0 0 0 0 PRESSAVG: 502800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 502800 0 0 0 0 0 0 0 0 0 TIMING: 502800 CPU: 1988.65, 0.00394514/step Wall: 1988.65, 0.00394513/step, 2.18867 hours remaining, 112.167969 MB of memory in use. ENERGY: 502800 657.4023 1823.5076 2023.5058 105.7735 0.8069 -1078.7043 0.0000 0.0000 2716.4143 6248.7061 300.0355 3532.2918 6285.2164 298.2310 PRESSURE: 503000 0 0 0 0 0 0 0 0 0 GPRESSURE: 503000 0 0 0 0 0 0 0 0 0 PRESSAVG: 503000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 503000 0 0 0 0 0 0 0 0 0 TIMING: 503000 CPU: 1989.44, 0.00394719/step Wall: 1989.44, 0.00394719/step, 2.18959 hours remaining, 112.167969 MB of memory in use. ENERGY: 503000 676.1602 1868.7556 2001.5655 110.1980 1.9833 -1087.7203 0.0000 0.0000 2694.7199 6265.6623 297.6393 3570.9423 6296.7893 299.1959 PRESSURE: 503200 0 0 0 0 0 0 0 0 0 GPRESSURE: 503200 0 0 0 0 0 0 0 0 0 PRESSAVG: 503200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 503200 0 0 0 0 0 0 0 0 0 TIMING: 503200 CPU: 1990.23, 0.00394745/step Wall: 1990.23, 0.00394745/step, 2.18952 hours remaining, 112.167969 MB of memory in use. ENERGY: 503200 662.1912 1835.0847 1999.6112 100.9436 0.7733 -1082.4195 0.0000 0.0000 2698.5671 6214.7516 298.0643 3516.1845 6248.0050 298.2115 PRESSURE: 503400 0 0 0 0 0 0 0 0 0 GPRESSURE: 503400 0 0 0 0 0 0 0 0 0 PRESSAVG: 503400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 503400 0 0 0 0 0 0 0 0 0 TIMING: 503400 CPU: 1991.02, 0.00394977/step Wall: 1991.02, 0.00394977/step, 2.19059 hours remaining, 112.167969 MB of memory in use. ENERGY: 503400 649.4012 1901.9087 1991.2775 99.4044 0.2284 -1085.3729 0.0000 0.0000 2711.1017 6267.9490 299.4487 3556.8473 6300.3357 299.5687 PRESSURE: 503600 0 0 0 0 0 0 0 0 0 GPRESSURE: 503600 0 0 0 0 0 0 0 0 0 PRESSAVG: 503600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 503600 0 0 0 0 0 0 0 0 0 TIMING: 503600 CPU: 1991.81, 0.00394596/step Wall: 1991.81, 0.00394596/step, 2.18826 hours remaining, 112.167969 MB of memory in use. ENERGY: 503600 691.0265 1851.7538 1997.6780 110.2719 0.9314 -1082.2217 0.0000 0.0000 2752.9303 6322.3701 304.0688 3569.4399 6352.8665 301.3488 PRESSURE: 503800 0 0 0 0 0 0 0 0 0 GPRESSURE: 503800 0 0 0 0 0 0 0 0 0 PRESSAVG: 503800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 503800 0 0 0 0 0 0 0 0 0 TIMING: 503800 CPU: 1992.59, 0.00394653/step Wall: 1992.59, 0.00394653/step, 2.18835 hours remaining, 112.167969 MB of memory in use. ENERGY: 503800 683.1220 1867.1820 2002.8262 99.1582 2.8868 -1070.3453 0.0000 0.0000 2715.9266 6300.7566 299.9817 3584.8300 6336.9951 302.0844 PRESSURE: 504000 0 0 0 0 0 0 0 0 0 GPRESSURE: 504000 0 0 0 0 0 0 0 0 0 PRESSAVG: 504000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 504000 0 0 0 0 0 0 0 0 0 TIMING: 504000 CPU: 1993.38, 0.00394683/step Wall: 1993.38, 0.00394683/step, 2.1883 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 504000 628.8465 1835.0772 2008.2740 109.2228 2.3020 -1051.4609 0.0000 0.0000 2781.9330 6314.1946 307.2723 3532.2616 6353.7788 301.4228 PRESSURE: 504200 0 0 0 0 0 0 0 0 0 GPRESSURE: 504200 0 0 0 0 0 0 0 0 0 PRESSAVG: 504200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 504200 0 0 0 0 0 0 0 0 0 TIMING: 504200 CPU: 1994.17, 0.00394787/step Wall: 1994.17, 0.00394787/step, 2.18866 hours remaining, 112.167969 MB of memory in use. ENERGY: 504200 656.1732 1847.9841 2020.9921 117.9995 2.3421 -1085.8691 0.0000 0.0000 2758.3212 6317.9430 304.6643 3559.6218 6353.1359 302.1405 LDB: ============= START OF LOAD BALANCING ============== 1997.13 LDB: ============== END OF LOAD BALANCING =============== 1997.13 LDB: =============== DONE WITH MIGRATION ================ 1997.13 LDB: ============= START OF LOAD BALANCING ============== 1997.53 LDB: ============== END OF LOAD BALANCING =============== 1997.53 LDB: =============== DONE WITH MIGRATION ================ 1997.53 PRESSURE: 504400 0 0 0 0 0 0 0 0 0 GPRESSURE: 504400 0 0 0 0 0 0 0 0 0 PRESSAVG: 504400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 504400 0 0 0 0 0 0 0 0 0 TIMING: 504400 CPU: 1994.96, 0.00395097/step Wall: 1994.96, 0.00395097/step, 2.19015 hours remaining, 112.167969 MB of memory in use. ENERGY: 504400 687.0995 1872.6262 2023.4720 115.9608 2.2749 -1081.2486 0.0000 0.0000 2680.2841 6300.4690 296.0448 3620.1849 6332.0961 302.2762 PRESSURE: 504600 0 0 0 0 0 0 0 0 0 GPRESSURE: 504600 0 0 0 0 0 0 0 0 0 PRESSAVG: 504600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 504600 0 0 0 0 0 0 0 0 0 TIMING: 504600 CPU: 1995.75, 0.00394618/step Wall: 1995.75, 0.00394618/step, 2.18728 hours remaining, 112.167969 MB of memory in use. ENERGY: 504600 639.7125 1856.8204 2030.2879 103.4356 1.9799 -1072.6419 0.0000 0.0000 2719.8195 6279.4139 300.4116 3559.5944 6312.3911 301.3950 PRESSURE: 504800 0 0 0 0 0 0 0 0 0 GPRESSURE: 504800 0 0 0 0 0 0 0 0 0 PRESSAVG: 504800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 504800 0 0 0 0 0 0 0 0 0 TIMING: 504800 CPU: 1996.54, 0.00394476/step Wall: 1996.54, 0.00394476/step, 2.18628 hours remaining, 112.167969 MB of memory in use. ENERGY: 504800 654.0420 1895.2245 2017.7736 109.7685 1.2155 -1053.0970 0.0000 0.0000 2673.5380 6298.4650 295.2997 3624.9270 6333.0345 302.0241 PRESSURE: 505000 0 0 0 0 0 0 0 0 0 GPRESSURE: 505000 0 0 0 0 0 0 0 0 0 PRESSAVG: 505000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 505000 0 0 0 0 0 0 0 0 0 TIMING: 505000 CPU: 1997.33, 0.00394636/step Wall: 1997.33, 0.00394636/step, 2.18694 hours remaining, 112.167969 MB of memory in use. ENERGY: 505000 663.1899 1828.7037 2028.9791 89.3998 2.4348 -1062.0763 0.0000 0.0000 2729.0295 6279.6604 301.4289 3550.6310 6315.9629 299.8598 PRESSURE: 505200 0 0 0 0 0 0 0 0 0 GPRESSURE: 505200 0 0 0 0 0 0 0 0 0 PRESSAVG: 505200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 505200 0 0 0 0 0 0 0 0 0 TIMING: 505200 CPU: 1998.12, 0.00394516/step Wall: 1998.12, 0.00394516/step, 2.18605 hours remaining, 112.167969 MB of memory in use. ENERGY: 505200 646.4458 1835.1079 1993.4750 110.0994 2.2450 -1040.1251 0.0000 0.0000 2674.4278 6221.6757 295.3980 3547.2480 6251.6408 298.0475 PRESSURE: 505400 0 0 0 0 0 0 0 0 0 GPRESSURE: 505400 0 0 0 0 0 0 0 0 0 PRESSAVG: 505400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 505400 0 0 0 0 0 0 0 0 0 TIMING: 505400 CPU: 1998.91, 0.00394536/step Wall: 1998.91, 0.00394537/step, 2.18595 hours remaining, 112.167969 MB of memory in use. ENERGY: 505400 627.9231 1919.4627 1983.7946 101.0071 2.3949 -1056.7911 0.0000 0.0000 2662.9820 6240.7734 294.1338 3577.7913 6270.5947 297.9530 PRESSURE: 505600 0 0 0 0 0 0 0 0 0 GPRESSURE: 505600 0 0 0 0 0 0 0 0 0 PRESSAVG: 505600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 505600 0 0 0 0 0 0 0 0 0 TIMING: 505600 CPU: 1999.7, 0.00394601/step Wall: 1999.7, 0.00394601/step, 2.18609 hours remaining, 112.167969 MB of memory in use. ENERGY: 505600 644.6769 1881.4279 2006.0765 110.0779 2.2599 -1035.1531 0.0000 0.0000 2673.7908 6283.1569 295.3276 3609.3661 6315.9879 299.6879 PRESSURE: 505800 0 0 0 0 0 0 0 0 0 GPRESSURE: 505800 0 0 0 0 0 0 0 0 0 PRESSAVG: 505800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 505800 0 0 0 0 0 0 0 0 0 TIMING: 505800 CPU: 2000.49, 0.00394526/step Wall: 2000.49, 0.00394526/step, 2.18546 hours remaining, 112.167969 MB of memory in use. ENERGY: 505800 694.8937 1821.9041 1996.9533 104.9863 2.4563 -1062.4645 0.0000 0.0000 2704.1000 6262.8294 298.6754 3558.7293 6291.8017 300.1608 PRESSURE: 506000 0 0 0 0 0 0 0 0 0 GPRESSURE: 506000 0 0 0 0 0 0 0 0 0 PRESSAVG: 506000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 506000 0 0 0 0 0 0 0 0 0 TIMING: 506000 CPU: 2001.28, 0.00394607/step Wall: 2001.28, 0.00394607/step, 2.18568 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 506000 649.3174 1789.3440 2012.3314 99.6596 1.1711 -1062.6313 0.0000 0.0000 2728.6573 6217.8494 301.3878 3489.1921 6253.8433 299.8718 PRESSURE: 506200 0 0 0 0 0 0 0 0 0 GPRESSURE: 506200 0 0 0 0 0 0 0 0 0 PRESSAVG: 506200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 506200 0 0 0 0 0 0 0 0 0 TIMING: 506200 CPU: 2002.07, 0.0039473/step Wall: 2002.07, 0.0039473/step, 2.18615 hours remaining, 112.167969 MB of memory in use. ENERGY: 506200 647.4922 1824.3469 1998.3524 108.2988 1.7230 -1080.7178 0.0000 0.0000 2678.2495 6177.7449 295.8201 3499.4954 6208.7628 296.9490 PRESSURE: 506400 0 0 0 0 0 0 0 0 0 GPRESSURE: 506400 0 0 0 0 0 0 0 0 0 PRESSAVG: 506400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 506400 0 0 0 0 0 0 0 0 0 TIMING: 506400 CPU: 2002.86, 0.00394451/step Wall: 2002.86, 0.00394451/step, 2.18438 hours remaining, 112.167969 MB of memory in use. ENERGY: 506400 628.9619 1849.9054 2049.8589 110.4230 3.5477 -1069.2650 0.0000 0.0000 2629.7241 6203.1560 290.4604 3573.4319 6233.6071 294.7009 PRESSURE: 506600 0 0 0 0 0 0 0 0 0 GPRESSURE: 506600 0 0 0 0 0 0 0 0 0 PRESSAVG: 506600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 506600 0 0 0 0 0 0 0 0 0 TIMING: 506600 CPU: 2003.64, 0.00394484/step Wall: 2003.64, 0.00394483/step, 2.18434 hours remaining, 112.167969 MB of memory in use. ENERGY: 506600 631.9497 1837.1150 1976.8650 116.5405 1.7616 -1058.8549 0.0000 0.0000 2679.2818 6184.6586 295.9341 3505.3769 6216.9420 293.5070 PRESSURE: 506800 0 0 0 0 0 0 0 0 0 GPRESSURE: 506800 0 0 0 0 0 0 0 0 0 PRESSAVG: 506800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 506800 0 0 0 0 0 0 0 0 0 TIMING: 506800 CPU: 2004.43, 0.00394334/step Wall: 2004.43, 0.00394335/step, 2.1833 hours remaining, 112.167969 MB of memory in use. ENERGY: 506800 681.1547 1837.4210 1998.3469 100.7250 2.0524 -1065.8081 0.0000 0.0000 2601.1584 6155.0504 287.3052 3553.8919 6186.2096 294.0612 PRESSURE: 507000 0 0 0 0 0 0 0 0 0 GPRESSURE: 507000 0 0 0 0 0 0 0 0 0 PRESSAVG: 507000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 507000 0 0 0 0 0 0 0 0 0 TIMING: 507000 CPU: 2005.22, 0.00394498/step Wall: 2005.22, 0.00394498/step, 2.18399 hours remaining, 112.167969 MB of memory in use. ENERGY: 507000 628.5687 1820.8921 2025.7315 96.7458 2.0830 -1067.2368 0.0000 0.0000 2661.5873 6168.3715 293.9797 3506.7842 6201.6617 293.0595 PRESSURE: 507200 0 0 0 0 0 0 0 0 0 GPRESSURE: 507200 0 0 0 0 0 0 0 0 0 PRESSAVG: 507200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 507200 0 0 0 0 0 0 0 0 0 TIMING: 507200 CPU: 2006.01, 0.00394595/step Wall: 2006.01, 0.00394594/step, 2.1843 hours remaining, 112.167969 MB of memory in use. ENERGY: 507200 629.7300 1840.6032 2024.5477 101.8873 2.1602 -1016.3676 0.0000 0.0000 2651.9845 6234.5453 292.9191 3582.5608 6268.3673 295.8084 PRESSURE: 507400 0 0 0 0 0 0 0 0 0 GPRESSURE: 507400 0 0 0 0 0 0 0 0 0 PRESSAVG: 507400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 507400 0 0 0 0 0 0 0 0 0 TIMING: 507400 CPU: 2006.8, 0.00394423/step Wall: 2006.8, 0.00394424/step, 2.18314 hours remaining, 112.167969 MB of memory in use. ENERGY: 507400 645.2474 1821.2913 2020.9078 108.5213 1.8712 -1066.6105 0.0000 0.0000 2686.4178 6217.6464 296.7223 3531.2285 6252.9662 296.6597 PRESSURE: 507600 0 0 0 0 0 0 0 0 0 GPRESSURE: 507600 0 0 0 0 0 0 0 0 0 PRESSAVG: 507600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 507600 0 0 0 0 0 0 0 0 0 TIMING: 507600 CPU: 2007.59, 0.00394641/step Wall: 2007.59, 0.00394641/step, 2.18412 hours remaining, 112.167969 MB of memory in use. ENERGY: 507600 671.4522 1830.7766 2025.1067 99.7829 2.0937 -1067.3574 0.0000 0.0000 2729.3158 6291.1704 301.4605 3561.8547 6326.4659 299.5079 PRESSURE: 507800 0 0 0 0 0 0 0 0 0 GPRESSURE: 507800 0 0 0 0 0 0 0 0 0 PRESSAVG: 507800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 507800 0 0 0 0 0 0 0 0 0 TIMING: 507800 CPU: 2008.38, 0.00394553/step Wall: 2008.38, 0.00394553/step, 2.18341 hours remaining, 112.167969 MB of memory in use. ENERGY: 507800 662.7495 1827.7976 2027.0573 121.0151 1.8214 -1045.5681 0.0000 0.0000 2672.1202 6266.9930 295.1431 3594.8729 6299.1497 300.0182 PRESSURE: 508000 0 0 0 0 0 0 0 0 0 GPRESSURE: 508000 0 0 0 0 0 0 0 0 0 PRESSAVG: 508000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 508000 0 0 0 0 0 0 0 0 0 TIMING: 508000 CPU: 2009.17, 0.00395157/step Wall: 2009.17, 0.00395157/step, 2.18653 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 508000 657.2985 1878.0352 2001.4586 119.7959 0.9951 -1084.5916 0.0000 0.0000 2646.5412 6219.5328 292.3178 3572.9917 6250.6143 297.8745 PRESSURE: 508200 0 0 0 0 0 0 0 0 0 GPRESSURE: 508200 0 0 0 0 0 0 0 0 0 PRESSAVG: 508200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 508200 0 0 0 0 0 0 0 0 0 TIMING: 508200 CPU: 2009.96, 0.00394631/step Wall: 2009.96, 0.00394631/step, 2.1834 hours remaining, 112.167969 MB of memory in use. ENERGY: 508200 659.5735 1792.2211 2020.1899 113.5380 1.6476 -1054.8582 0.0000 0.0000 2716.6448 6248.9567 300.0610 3532.3119 6282.8147 299.3191 LDB: ============= START OF LOAD BALANCING ============== 2012.92 LDB: ============== END OF LOAD BALANCING =============== 2012.92 LDB: =============== DONE WITH MIGRATION ================ 2012.92 LDB: ============= START OF LOAD BALANCING ============== 2013.31 LDB: ============== END OF LOAD BALANCING =============== 2013.31 LDB: =============== DONE WITH MIGRATION ================ 2013.31 PRESSURE: 508400 0 0 0 0 0 0 0 0 0 GPRESSURE: 508400 0 0 0 0 0 0 0 0 0 PRESSAVG: 508400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 508400 0 0 0 0 0 0 0 0 0 TIMING: 508400 CPU: 2010.75, 0.00395065/step Wall: 2010.75, 0.00395065/step, 2.18559 hours remaining, 112.167969 MB of memory in use. ENERGY: 508400 624.0802 1813.1540 2005.3905 112.5382 1.0605 -1092.2850 0.0000 0.0000 2770.6738 6234.6121 306.0286 3463.9383 6269.2757 299.8894 PRESSURE: 508600 0 0 0 0 0 0 0 0 0 GPRESSURE: 508600 0 0 0 0 0 0 0 0 0 PRESSAVG: 508600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 508600 0 0 0 0 0 0 0 0 0 TIMING: 508600 CPU: 2011.54, 0.00394673/step Wall: 2011.54, 0.00394673/step, 2.1832 hours remaining, 112.167969 MB of memory in use. ENERGY: 508600 629.8237 1769.5192 2008.4415 101.9186 0.5533 -1056.3205 0.0000 0.0000 2698.9823 6152.9181 298.1101 3453.9358 6186.4763 296.1291 PRESSURE: 508800 0 0 0 0 0 0 0 0 0 GPRESSURE: 508800 0 0 0 0 0 0 0 0 0 PRESSAVG: 508800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 508800 0 0 0 0 0 0 0 0 0 TIMING: 508800 CPU: 2012.33, 0.00394235/step Wall: 2012.33, 0.00394235/step, 2.18056 hours remaining, 112.167969 MB of memory in use. ENERGY: 508800 645.2017 1831.3658 1983.4360 93.5256 0.8463 -1060.1533 0.0000 0.0000 2659.6483 6153.8704 293.7656 3494.2222 6185.1248 294.4249 PRESSURE: 509000 0 0 0 0 0 0 0 0 0 GPRESSURE: 509000 0 0 0 0 0 0 0 0 0 PRESSAVG: 509000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 509000 0 0 0 0 0 0 0 0 0 TIMING: 509000 CPU: 2013.11, 0.00394435/step Wall: 2013.11, 0.00394435/step, 2.18144 hours remaining, 112.167969 MB of memory in use. ENERGY: 509000 649.6538 1817.3241 1992.3646 111.3625 1.1086 -1062.5656 0.0000 0.0000 2652.6870 6161.9350 292.9967 3509.2480 6192.3979 293.9558 PRESSURE: 509200 0 0 0 0 0 0 0 0 0 GPRESSURE: 509200 0 0 0 0 0 0 0 0 0 PRESSAVG: 509200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 509200 0 0 0 0 0 0 0 0 0 TIMING: 509200 CPU: 2013.9, 0.00394303/step Wall: 2013.9, 0.00394303/step, 2.1805 hours remaining, 112.167969 MB of memory in use. ENERGY: 509200 645.7319 1806.2125 1971.6698 106.5228 1.7643 -1065.9305 0.0000 0.0000 2683.9962 6149.9668 296.4549 3465.9706 6185.2942 294.5889 PRESSURE: 509400 0 0 0 0 0 0 0 0 0 GPRESSURE: 509400 0 0 0 0 0 0 0 0 0 PRESSAVG: 509400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 509400 0 0 0 0 0 0 0 0 0 TIMING: 509400 CPU: 2014.69, 0.00394416/step Wall: 2014.69, 0.00394416/step, 2.1809 hours remaining, 112.167969 MB of memory in use. ENERGY: 509400 638.7759 1813.2390 2019.6578 115.5189 1.7436 -1061.2386 0.0000 0.0000 2690.3645 6218.0611 297.1583 3527.6966 6250.9590 294.8109 PRESSURE: 509600 0 0 0 0 0 0 0 0 0 GPRESSURE: 509600 0 0 0 0 0 0 0 0 0 PRESSAVG: 509600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 509600 0 0 0 0 0 0 0 0 0 TIMING: 509600 CPU: 2015.48, 0.00394248/step Wall: 2015.48, 0.00394248/step, 2.17975 hours remaining, 112.167969 MB of memory in use. ENERGY: 509600 650.8188 1879.3724 2024.5267 117.2420 1.9557 -1070.6073 0.0000 0.0000 2657.6681 6260.9765 293.5468 3603.3084 6293.7631 298.0555 PRESSURE: 509800 0 0 0 0 0 0 0 0 0 GPRESSURE: 509800 0 0 0 0 0 0 0 0 0 PRESSAVG: 509800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 509800 0 0 0 0 0 0 0 0 0 TIMING: 509800 CPU: 2016.27, 0.00394192/step Wall: 2016.27, 0.00394192/step, 2.17923 hours remaining, 112.167969 MB of memory in use. ENERGY: 509800 633.1814 1874.6815 2030.7331 101.5965 1.0058 -1100.7921 0.0000 0.0000 2742.7328 6283.1390 302.9425 3540.4062 6317.7303 299.0588 PRESSURE: 510000 0 0 0 0 0 0 0 0 0 GPRESSURE: 510000 0 0 0 0 0 0 0 0 0 PRESSAVG: 510000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 510000 0 0 0 0 0 0 0 0 0 TIMING: 510000 CPU: 2017.06, 0.00394458/step Wall: 2017.06, 0.00394458/step, 2.18048 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 510000 669.0876 1848.6565 2018.6326 99.1338 1.8451 -1073.6992 0.0000 0.0000 2705.2737 6268.9300 298.8050 3563.6564 6300.8119 300.0859 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 510000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 510000 WRITING COORDINATES TO RESTART FILE AT STEP 510000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 510000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 510200 0 0 0 0 0 0 0 0 0 GPRESSURE: 510200 0 0 0 0 0 0 0 0 0 PRESSAVG: 510200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 510200 0 0 0 0 0 0 0 0 0 TIMING: 510200 CPU: 2017.89, 0.00414856/step Wall: 2017.89, 0.00414856/step, 2.293 hours remaining, 112.167969 MB of memory in use. ENERGY: 510200 655.7779 1838.6774 2017.8168 115.4923 0.0356 -1088.9736 0.0000 0.0000 2696.7280 6235.5543 297.8611 3538.8263 6268.1146 300.8691 PRESSURE: 510400 0 0 0 0 0 0 0 0 0 GPRESSURE: 510400 0 0 0 0 0 0 0 0 0 PRESSAVG: 510400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 510400 0 0 0 0 0 0 0 0 0 TIMING: 510400 CPU: 2018.68, 0.00395531/step Wall: 2018.68, 0.00395531/step, 2.18597 hours remaining, 112.167969 MB of memory in use. ENERGY: 510400 663.5697 1863.6135 2038.3475 113.4691 1.5531 -1104.8666 0.0000 0.0000 2676.9155 6252.6019 295.6728 3575.6863 6285.2012 299.2469 PRESSURE: 510600 0 0 0 0 0 0 0 0 0 GPRESSURE: 510600 0 0 0 0 0 0 0 0 0 PRESSAVG: 510600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 510600 0 0 0 0 0 0 0 0 0 TIMING: 510600 CPU: 2019.47, 0.00394192/step Wall: 2019.47, 0.00394192/step, 2.17835 hours remaining, 112.167969 MB of memory in use. ENERGY: 510600 609.2928 1869.8212 2026.2131 110.1917 1.2526 -1054.9269 0.0000 0.0000 2674.4400 6236.2845 295.3993 3561.8445 6268.5151 300.2305 PRESSURE: 510800 0 0 0 0 0 0 0 0 0 GPRESSURE: 510800 0 0 0 0 0 0 0 0 0 PRESSAVG: 510800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 510800 0 0 0 0 0 0 0 0 0 TIMING: 510800 CPU: 2020.26, 0.00394332/step Wall: 2020.26, 0.00394332/step, 2.1789 hours remaining, 112.167969 MB of memory in use. ENERGY: 510800 647.7255 1803.1294 2022.4072 102.6225 0.0023 -1055.7377 0.0000 0.0000 2689.3047 6209.4539 297.0412 3520.1492 6244.5124 298.2456 PRESSURE: 511000 0 0 0 0 0 0 0 0 0 GPRESSURE: 511000 0 0 0 0 0 0 0 0 0 PRESSAVG: 511000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 511000 0 0 0 0 0 0 0 0 0 TIMING: 511000 CPU: 2021.05, 0.00395201/step Wall: 2021.05, 0.00395201/step, 2.18349 hours remaining, 112.167969 MB of memory in use. ENERGY: 511000 675.6161 1809.1197 2034.1768 104.7462 1.7317 -1070.3994 0.0000 0.0000 2642.7368 6197.7278 291.8976 3554.9911 6229.1637 295.6349 PRESSURE: 511200 0 0 0 0 0 0 0 0 0 GPRESSURE: 511200 0 0 0 0 0 0 0 0 0 PRESSAVG: 511200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 511200 0 0 0 0 0 0 0 0 0 TIMING: 511200 CPU: 2021.84, 0.00394914/step Wall: 2021.84, 0.00394914/step, 2.18168 hours remaining, 112.167969 MB of memory in use. ENERGY: 511200 655.0210 1844.0296 1998.4589 101.2301 1.0067 -1079.3411 0.0000 0.0000 2686.4480 6206.8532 296.7257 3520.4052 6241.7821 296.6702 PRESSURE: 511400 0 0 0 0 0 0 0 0 0 GPRESSURE: 511400 0 0 0 0 0 0 0 0 0 PRESSAVG: 511400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 511400 0 0 0 0 0 0 0 0 0 TIMING: 511400 CPU: 2022.63, 0.0039516/step Wall: 2022.63, 0.0039516/step, 2.18282 hours remaining, 112.167969 MB of memory in use. ENERGY: 511400 629.9620 1791.1734 1998.0886 101.7243 1.7165 -1044.8919 0.0000 0.0000 2672.5352 6150.3079 295.1890 3477.7728 6181.8619 293.6049 PRESSURE: 511600 0 0 0 0 0 0 0 0 0 GPRESSURE: 511600 0 0 0 0 0 0 0 0 0 PRESSAVG: 511600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 511600 0 0 0 0 0 0 0 0 0 TIMING: 511600 CPU: 2023.42, 0.00395028/step Wall: 2023.42, 0.00395028/step, 2.18187 hours remaining, 112.167969 MB of memory in use. ENERGY: 511600 652.5375 1852.9406 1993.3332 107.6168 1.2524 -1076.8673 0.0000 0.0000 2689.4000 6220.2132 297.0517 3530.8132 6253.2115 294.9174 PRESSURE: 511800 0 0 0 0 0 0 0 0 0 GPRESSURE: 511800 0 0 0 0 0 0 0 0 0 PRESSAVG: 511800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 511800 0 0 0 0 0 0 0 0 0 TIMING: 511800 CPU: 2024.21, 0.00394732/step Wall: 2024.21, 0.00394732/step, 2.18001 hours remaining, 112.167969 MB of memory in use. ENERGY: 511800 655.4271 1769.2819 2003.4779 107.5402 2.1016 -1049.8112 0.0000 0.0000 2706.2136 6194.2311 298.9088 3488.0175 6229.2046 296.0314 PRESSURE: 512000 0 0 0 0 0 0 0 0 0 GPRESSURE: 512000 0 0 0 0 0 0 0 0 0 PRESSAVG: 512000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 512000 0 0 0 0 0 0 0 0 0 TIMING: 512000 CPU: 2024.99, 0.00394642/step Wall: 2024.99, 0.00394642/step, 2.1793 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 512000 644.2351 1822.1664 2003.8618 114.7605 1.7939 -1067.0939 0.0000 0.0000 2687.7193 6207.4430 296.8661 3519.7237 6237.2770 295.2448 PRESSURE: 512200 0 0 0 0 0 0 0 0 0 GPRESSURE: 512200 0 0 0 0 0 0 0 0 0 PRESSAVG: 512200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 512200 0 0 0 0 0 0 0 0 0 TIMING: 512200 CPU: 2025.78, 0.00394405/step Wall: 2025.78, 0.00394405/step, 2.17777 hours remaining, 112.167969 MB of memory in use. ENERGY: 512200 669.3199 1842.2819 1982.3551 111.9448 2.2414 -1063.5697 0.0000 0.0000 2667.5397 6212.1130 294.6372 3544.5734 6242.5086 296.3539 LDB: ============= START OF LOAD BALANCING ============== 2028.74 LDB: ============== END OF LOAD BALANCING =============== 2028.74 LDB: =============== DONE WITH MIGRATION ================ 2028.74 LDB: ============= START OF LOAD BALANCING ============== 2029.14 LDB: ============== END OF LOAD BALANCING =============== 2029.14 LDB: =============== DONE WITH MIGRATION ================ 2029.14 PRESSURE: 512400 0 0 0 0 0 0 0 0 0 GPRESSURE: 512400 0 0 0 0 0 0 0 0 0 PRESSAVG: 512400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 512400 0 0 0 0 0 0 0 0 0 TIMING: 512400 CPU: 2026.57, 0.00394385/step Wall: 2026.57, 0.00394385/step, 2.17744 hours remaining, 112.167969 MB of memory in use. ENERGY: 512400 653.7111 1806.5097 1999.1606 102.1304 1.1752 -1035.2835 0.0000 0.0000 2742.1970 6269.6005 302.8833 3527.4035 6300.2202 300.2982 PRESSURE: 512600 0 0 0 0 0 0 0 0 0 GPRESSURE: 512600 0 0 0 0 0 0 0 0 0 PRESSAVG: 512600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 512600 0 0 0 0 0 0 0 0 0 TIMING: 512600 CPU: 2027.36, 0.0039433/step Wall: 2027.36, 0.0039433/step, 2.17692 hours remaining, 112.167969 MB of memory in use. ENERGY: 512600 673.6603 1845.9897 2005.4147 111.4969 -0.2508 -1065.8226 0.0000 0.0000 2730.3099 6300.7980 301.5703 3570.4882 6332.5582 302.3028 PRESSURE: 512800 0 0 0 0 0 0 0 0 0 GPRESSURE: 512800 0 0 0 0 0 0 0 0 0 PRESSAVG: 512800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 512800 0 0 0 0 0 0 0 0 0 TIMING: 512800 CPU: 2028.15, 0.00394374/step Wall: 2028.15, 0.00394374/step, 2.17694 hours remaining, 112.167969 MB of memory in use. ENERGY: 512800 671.6159 1849.1016 2012.6997 114.1063 1.2793 -1073.3143 0.0000 0.0000 2785.1999 6360.6883 307.6331 3575.4884 6393.2090 304.3982 PRESSURE: 513000 0 0 0 0 0 0 0 0 0 GPRESSURE: 513000 0 0 0 0 0 0 0 0 0 PRESSAVG: 513000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 513000 0 0 0 0 0 0 0 0 0 TIMING: 513000 CPU: 2028.94, 0.00397059/step Wall: 2028.94, 0.00397059/step, 2.19154 hours remaining, 112.167969 MB of memory in use. ENERGY: 513000 664.9369 1874.9078 2006.8399 101.2989 1.7767 -1085.9026 0.0000 0.0000 2687.6108 6251.4684 296.8541 3563.8576 6284.0454 302.4509 PRESSURE: 513200 0 0 0 0 0 0 0 0 0 GPRESSURE: 513200 0 0 0 0 0 0 0 0 0 PRESSAVG: 513200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 513200 0 0 0 0 0 0 0 0 0 TIMING: 513200 CPU: 2029.73, 0.00394758/step Wall: 2029.73, 0.00394758/step, 2.17862 hours remaining, 112.167969 MB of memory in use. ENERGY: 513200 649.4402 1834.2334 2025.1392 105.7788 1.1592 -1069.8440 0.0000 0.0000 2747.5939 6293.5009 303.4794 3545.9070 6329.0886 299.2627 PRESSURE: 513400 0 0 0 0 0 0 0 0 0 GPRESSURE: 513400 0 0 0 0 0 0 0 0 0 PRESSAVG: 513400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 513400 0 0 0 0 0 0 0 0 0 TIMING: 513400 CPU: 2030.52, 0.00393992/step Wall: 2030.52, 0.00393992/step, 2.17418 hours remaining, 112.167969 MB of memory in use. ENERGY: 513400 671.3799 1806.6963 2046.6751 111.6106 0.6347 -1084.3741 0.0000 0.0000 2779.9482 6332.5707 307.0530 3552.6225 6367.5715 302.3403 PRESSURE: 513600 0 0 0 0 0 0 0 0 0 GPRESSURE: 513600 0 0 0 0 0 0 0 0 0 PRESSAVG: 513600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 513600 0 0 0 0 0 0 0 0 0 TIMING: 513600 CPU: 2031.31, 0.00394525/step Wall: 2031.31, 0.00394525/step, 2.1769 hours remaining, 112.167969 MB of memory in use. ENERGY: 513600 663.7267 1872.3658 2014.7099 111.1987 1.6834 -1063.5405 0.0000 0.0000 2763.5162 6363.6602 305.2381 3600.1440 6397.4749 304.4740 PRESSURE: 513800 0 0 0 0 0 0 0 0 0 GPRESSURE: 513800 0 0 0 0 0 0 0 0 0 PRESSAVG: 513800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 513800 0 0 0 0 0 0 0 0 0 TIMING: 513800 CPU: 2032.1, 0.00394547/step Wall: 2032.1, 0.00394547/step, 2.1768 hours remaining, 112.167969 MB of memory in use. ENERGY: 513800 654.5491 1902.3924 2039.5807 103.3194 0.3486 -1056.6843 0.0000 0.0000 2701.5252 6345.0310 298.3910 3643.5058 6377.1058 305.3749 PRESSURE: 514000 0 0 0 0 0 0 0 0 0 GPRESSURE: 514000 0 0 0 0 0 0 0 0 0 PRESSAVG: 514000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 514000 0 0 0 0 0 0 0 0 0 TIMING: 514000 CPU: 2032.89, 0.00394293/step Wall: 2032.89, 0.00394293/step, 2.17518 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 514000 637.1066 1907.5708 2033.2924 111.7410 0.0949 -1080.4538 0.0000 0.0000 2783.1715 6392.5235 307.4090 3609.3520 6424.2965 304.8685 PRESSURE: 514200 0 0 0 0 0 0 0 0 0 GPRESSURE: 514200 0 0 0 0 0 0 0 0 0 PRESSAVG: 514200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 514200 0 0 0 0 0 0 0 0 0 TIMING: 514200 CPU: 2033.68, 0.00394408/step Wall: 2033.68, 0.00394408/step, 2.1756 hours remaining, 112.167969 MB of memory in use. ENERGY: 514200 667.5953 1880.2506 2010.0293 115.7657 0.1041 -1074.9040 0.0000 0.0000 2780.0806 6378.9217 307.0676 3598.8411 6409.3065 307.1821 PRESSURE: 514400 0 0 0 0 0 0 0 0 0 GPRESSURE: 514400 0 0 0 0 0 0 0 0 0 PRESSAVG: 514400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 514400 0 0 0 0 0 0 0 0 0 TIMING: 514400 CPU: 2034.46, 0.00393848/step Wall: 2034.46, 0.00393848/step, 2.17229 hours remaining, 112.167969 MB of memory in use. ENERGY: 514400 655.9872 1846.9482 2054.8760 128.2772 1.7692 -1033.1929 0.0000 0.0000 2774.7928 6429.4577 306.4836 3654.6649 6459.9075 307.2186 PRESSURE: 514600 0 0 0 0 0 0 0 0 0 GPRESSURE: 514600 0 0 0 0 0 0 0 0 0 PRESSAVG: 514600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 514600 0 0 0 0 0 0 0 0 0 TIMING: 514600 CPU: 2035.25, 0.00394452/step Wall: 2035.25, 0.00394452/step, 2.17541 hours remaining, 112.167969 MB of memory in use. ENERGY: 514600 681.2502 1857.6109 2010.3840 107.5838 0.9246 -1042.2045 0.0000 0.0000 2792.5863 6408.1352 308.4489 3615.5490 6442.9582 308.2493 PRESSURE: 514800 0 0 0 0 0 0 0 0 0 GPRESSURE: 514800 0 0 0 0 0 0 0 0 0 PRESSAVG: 514800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 514800 0 0 0 0 0 0 0 0 0 TIMING: 514800 CPU: 2036.04, 0.00394414/step Wall: 2036.04, 0.00394414/step, 2.17497 hours remaining, 112.167969 MB of memory in use. ENERGY: 514800 681.1973 1862.3617 1989.6008 103.7014 0.3151 -1074.8471 0.0000 0.0000 2765.7188 6328.0479 305.4813 3562.3292 6362.8038 305.1860 PRESSURE: 515000 0 0 0 0 0 0 0 0 0 GPRESSURE: 515000 0 0 0 0 0 0 0 0 0 PRESSAVG: 515000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 515000 0 0 0 0 0 0 0 0 0 TIMING: 515000 CPU: 2036.83, 0.00394365/step Wall: 2036.83, 0.00394365/step, 2.17449 hours remaining, 112.167969 MB of memory in use. ENERGY: 515000 686.1251 1845.0282 2035.4517 111.3960 0.8859 -1119.1964 0.0000 0.0000 2703.9576 6263.6480 298.6596 3559.6904 6296.9599 304.2435 PRESSURE: 515200 0 0 0 0 0 0 0 0 0 GPRESSURE: 515200 0 0 0 0 0 0 0 0 0 PRESSAVG: 515200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 515200 0 0 0 0 0 0 0 0 0 TIMING: 515200 CPU: 2037.62, 0.0039415/step Wall: 2037.62, 0.0039415/step, 2.17308 hours remaining, 112.167969 MB of memory in use. ENERGY: 515200 708.2232 1833.2905 1986.0342 102.6748 -0.0614 -1077.1947 0.0000 0.0000 2710.3651 6263.3317 299.3674 3552.9666 6295.3617 300.7380 PRESSURE: 515400 0 0 0 0 0 0 0 0 0 GPRESSURE: 515400 0 0 0 0 0 0 0 0 0 PRESSAVG: 515400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 515400 0 0 0 0 0 0 0 0 0 TIMING: 515400 CPU: 2038.41, 0.00394356/step Wall: 2038.41, 0.00394356/step, 2.17399 hours remaining, 112.167969 MB of memory in use. ENERGY: 515400 680.7234 1785.9172 2004.9770 116.4805 0.3610 -1069.2647 0.0000 0.0000 2728.2880 6247.4824 301.3470 3519.1944 6282.1120 301.8688 PRESSURE: 515600 0 0 0 0 0 0 0 0 0 GPRESSURE: 515600 0 0 0 0 0 0 0 0 0 PRESSAVG: 515600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 515600 0 0 0 0 0 0 0 0 0 TIMING: 515600 CPU: 2039.2, 0.00394681/step Wall: 2039.2, 0.00394681/step, 2.17557 hours remaining, 112.167969 MB of memory in use. ENERGY: 515600 645.0511 1817.4090 2027.8639 104.0842 -0.9120 -1046.4563 0.0000 0.0000 2741.1123 6288.1523 302.7635 3547.0400 6321.7074 302.5504 PRESSURE: 515800 0 0 0 0 0 0 0 0 0 GPRESSURE: 515800 0 0 0 0 0 0 0 0 0 PRESSAVG: 515800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 515800 0 0 0 0 0 0 0 0 0 TIMING: 515800 CPU: 2039.99, 0.00394723/step Wall: 2039.99, 0.00394723/step, 2.17558 hours remaining, 112.167969 MB of memory in use. ENERGY: 515800 682.5016 1852.3037 2006.4151 105.1189 0.9251 -1074.3438 0.0000 0.0000 2744.4385 6317.3591 303.1309 3572.9206 6351.0288 302.4375 PRESSURE: 516000 0 0 0 0 0 0 0 0 0 GPRESSURE: 516000 0 0 0 0 0 0 0 0 0 PRESSAVG: 516000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 516000 0 0 0 0 0 0 0 0 0 TIMING: 516000 CPU: 2040.78, 0.00394949/step Wall: 2040.78, 0.00394949/step, 2.17661 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 516000 652.3658 1832.8123 2022.3784 106.6572 1.1114 -1070.4376 0.0000 0.0000 2752.9311 6297.8187 304.0689 3544.8876 6333.6966 303.3166 PRESSURE: 516200 0 0 0 0 0 0 0 0 0 GPRESSURE: 516200 0 0 0 0 0 0 0 0 0 PRESSAVG: 516200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 516200 0 0 0 0 0 0 0 0 0 TIMING: 516200 CPU: 2041.57, 0.00394264/step Wall: 2041.57, 0.00394264/step, 2.17261 hours remaining, 112.167969 MB of memory in use. ENERGY: 516200 665.9459 1870.6988 1992.8264 96.8836 -0.0955 -1056.7207 0.0000 0.0000 2753.7107 6323.2491 304.1550 3569.5384 6356.4552 303.6657 LDB: ============= START OF LOAD BALANCING ============== 2044.53 LDB: ============== END OF LOAD BALANCING =============== 2044.53 LDB: =============== DONE WITH MIGRATION ================ 2044.53 LDB: ============= START OF LOAD BALANCING ============== 2044.92 LDB: ============== END OF LOAD BALANCING =============== 2044.92 LDB: =============== DONE WITH MIGRATION ================ 2044.92 PRESSURE: 516400 0 0 0 0 0 0 0 0 0 GPRESSURE: 516400 0 0 0 0 0 0 0 0 0 PRESSAVG: 516400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 516400 0 0 0 0 0 0 0 0 0 TIMING: 516400 CPU: 2042.36, 0.0039519/step Wall: 2042.36, 0.0039519/step, 2.1775 hours remaining, 112.167969 MB of memory in use. ENERGY: 516400 658.7746 1854.6219 2010.5729 107.4724 0.4864 -1075.5633 0.0000 0.0000 2776.9294 6333.2942 306.7196 3556.3648 6365.9261 304.3295 PRESSURE: 516600 0 0 0 0 0 0 0 0 0 GPRESSURE: 516600 0 0 0 0 0 0 0 0 0 PRESSAVG: 516600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 516600 0 0 0 0 0 0 0 0 0 TIMING: 516600 CPU: 2043.15, 0.00394675/step Wall: 2043.15, 0.00394675/step, 2.17444 hours remaining, 112.167969 MB of memory in use. ENERGY: 516600 658.5194 1878.1173 2016.2910 110.9202 0.3080 -1092.9017 0.0000 0.0000 2754.3015 6325.5557 304.2203 3571.2542 6356.5324 303.0098 PRESSURE: 516800 0 0 0 0 0 0 0 0 0 GPRESSURE: 516800 0 0 0 0 0 0 0 0 0 PRESSAVG: 516800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 516800 0 0 0 0 0 0 0 0 0 TIMING: 516800 CPU: 2043.93, 0.00394629/step Wall: 2043.93, 0.00394629/step, 2.17397 hours remaining, 112.167969 MB of memory in use. ENERGY: 516800 651.6016 1903.2601 1994.5787 112.8794 0.4091 -1122.1069 0.0000 0.0000 2777.7658 6318.3878 306.8120 3540.6220 6351.2756 303.9158 PRESSURE: 517000 0 0 0 0 0 0 0 0 0 GPRESSURE: 517000 0 0 0 0 0 0 0 0 0 PRESSAVG: 517000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 517000 0 0 0 0 0 0 0 0 0 TIMING: 517000 CPU: 2044.72, 0.00394663/step Wall: 2044.72, 0.00394663/step, 2.17394 hours remaining, 112.167969 MB of memory in use. ENERGY: 517000 668.8595 1876.2096 2002.8478 101.6108 0.1401 -1081.5560 0.0000 0.0000 2747.7907 6315.9025 303.5011 3568.1118 6348.4660 305.4199 PRESSURE: 517200 0 0 0 0 0 0 0 0 0 GPRESSURE: 517200 0 0 0 0 0 0 0 0 0 PRESSAVG: 517200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 517200 0 0 0 0 0 0 0 0 0 TIMING: 517200 CPU: 2045.51, 0.00394161/step Wall: 2045.51, 0.00394161/step, 2.17095 hours remaining, 112.167969 MB of memory in use. ENERGY: 517200 675.9791 1863.9914 2002.4004 105.9367 1.2082 -1046.3666 0.0000 0.0000 2735.3301 6338.4792 302.1248 3603.1491 6375.3017 304.2364 PRESSURE: 517400 0 0 0 0 0 0 0 0 0 GPRESSURE: 517400 0 0 0 0 0 0 0 0 0 PRESSAVG: 517400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 517400 0 0 0 0 0 0 0 0 0 TIMING: 517400 CPU: 2046.3, 0.00394594/step Wall: 2046.3, 0.00394594/step, 2.17312 hours remaining, 112.167969 MB of memory in use. ENERGY: 517400 676.6674 1873.7295 1969.5008 102.4960 1.7365 -1123.1543 0.0000 0.0000 2761.4813 6262.4572 305.0133 3500.9759 6296.4612 302.2320 PRESSURE: 517600 0 0 0 0 0 0 0 0 0 GPRESSURE: 517600 0 0 0 0 0 0 0 0 0 PRESSAVG: 517600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 517600 0 0 0 0 0 0 0 0 0 TIMING: 517600 CPU: 2047.09, 0.00394889/step Wall: 2047.09, 0.00394889/step, 2.17452 hours remaining, 112.167969 MB of memory in use. ENERGY: 517600 673.2756 1817.3500 1984.3933 95.4540 0.5831 -1102.1932 0.0000 0.0000 2758.2273 6227.0902 304.6539 3468.8629 6262.8448 301.1070 PRESSURE: 517800 0 0 0 0 0 0 0 0 0 GPRESSURE: 517800 0 0 0 0 0 0 0 0 0 PRESSAVG: 517800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 517800 0 0 0 0 0 0 0 0 0 TIMING: 517800 CPU: 2047.88, 0.00394766/step Wall: 2047.88, 0.00394766/step, 2.17363 hours remaining, 112.167969 MB of memory in use. ENERGY: 517800 632.4793 1864.7982 1979.9588 110.0217 0.9917 -1067.9083 0.0000 0.0000 2749.5367 6269.8780 303.6940 3520.3413 6303.4563 301.0229 PRESSURE: 518000 0 0 0 0 0 0 0 0 0 GPRESSURE: 518000 0 0 0 0 0 0 0 0 0 PRESSAVG: 518000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 518000 0 0 0 0 0 0 0 0 0 TIMING: 518000 CPU: 2048.67, 0.00394919/step Wall: 2048.67, 0.00394919/step, 2.17425 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 518000 648.5632 1866.8146 1990.8931 119.2520 0.7458 -1092.7986 0.0000 0.0000 2690.5409 6224.0110 297.1777 3533.4702 6254.7221 300.6922 PRESSURE: 518200 0 0 0 0 0 0 0 0 0 GPRESSURE: 518200 0 0 0 0 0 0 0 0 0 PRESSAVG: 518200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 518200 0 0 0 0 0 0 0 0 0 TIMING: 518200 CPU: 2049.46, 0.00394351/step Wall: 2049.46, 0.00394351/step, 2.1709 hours remaining, 112.167969 MB of memory in use. ENERGY: 518200 634.3888 1926.2996 2020.0111 108.2534 0.2475 -1087.2932 0.0000 0.0000 2699.1060 6301.0132 298.1238 3601.9072 6332.1474 300.4603 PRESSURE: 518400 0 0 0 0 0 0 0 0 0 GPRESSURE: 518400 0 0 0 0 0 0 0 0 0 PRESSAVG: 518400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 518400 0 0 0 0 0 0 0 0 0 TIMING: 518400 CPU: 2050.25, 0.00394779/step Wall: 2050.25, 0.00394779/step, 2.17304 hours remaining, 112.167969 MB of memory in use. ENERGY: 518400 693.2772 1812.3286 1997.3080 114.3973 2.2475 -1076.8838 0.0000 0.0000 2805.5505 6348.2253 309.8809 3542.6748 6383.2406 303.7817 PRESSURE: 518600 0 0 0 0 0 0 0 0 0 GPRESSURE: 518600 0 0 0 0 0 0 0 0 0 PRESSAVG: 518600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 518600 0 0 0 0 0 0 0 0 0 TIMING: 518600 CPU: 2051.04, 0.00395025/step Wall: 2051.04, 0.00395025/step, 2.17418 hours remaining, 112.167969 MB of memory in use. ENERGY: 518600 663.9691 1863.2750 2032.7272 112.2081 -0.3070 -1073.6064 0.0000 0.0000 2687.2081 6285.4740 296.8096 3598.2659 6319.2964 303.1585 PRESSURE: 518800 0 0 0 0 0 0 0 0 0 GPRESSURE: 518800 0 0 0 0 0 0 0 0 0 PRESSAVG: 518800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 518800 0 0 0 0 0 0 0 0 0 TIMING: 518800 CPU: 2051.83, 0.0039474/step Wall: 2051.83, 0.0039474/step, 2.17239 hours remaining, 112.167969 MB of memory in use. ENERGY: 518800 709.3234 1840.2306 2012.6292 92.0202 2.3644 -1097.5863 0.0000 0.0000 2758.0301 6317.0116 304.6321 3558.9815 6352.4725 301.7874 PRESSURE: 519000 0 0 0 0 0 0 0 0 0 GPRESSURE: 519000 0 0 0 0 0 0 0 0 0 PRESSAVG: 519000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 519000 0 0 0 0 0 0 0 0 0 TIMING: 519000 CPU: 2052.62, 0.00394258/step Wall: 2052.62, 0.00394258/step, 2.16951 hours remaining, 112.167969 MB of memory in use. ENERGY: 519000 682.8601 1922.6352 2019.0845 111.2582 0.7433 -1085.1943 0.0000 0.0000 2733.8073 6385.1943 301.9566 3651.3870 6415.4263 305.1420 PRESSURE: 519200 0 0 0 0 0 0 0 0 0 GPRESSURE: 519200 0 0 0 0 0 0 0 0 0 PRESSAVG: 519200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 519200 0 0 0 0 0 0 0 0 0 TIMING: 519200 CPU: 2053.41, 0.00394944/step Wall: 2053.41, 0.00394944/step, 2.17307 hours remaining, 112.167969 MB of memory in use. ENERGY: 519200 720.5969 1880.9233 2005.1392 115.7472 -0.0225 -1079.1041 0.0000 0.0000 2791.9461 6435.2262 308.3782 3643.2800 6469.9910 307.3243 PRESSURE: 519400 0 0 0 0 0 0 0 0 0 GPRESSURE: 519400 0 0 0 0 0 0 0 0 0 PRESSAVG: 519400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 519400 0 0 0 0 0 0 0 0 0 TIMING: 519400 CPU: 2054.2, 0.00394763/step Wall: 2054.2, 0.00394763/step, 2.17185 hours remaining, 112.167969 MB of memory in use. ENERGY: 519400 684.0429 1849.6811 2032.9905 105.8297 1.5142 -1092.5326 0.0000 0.0000 2807.0784 6388.6042 310.0496 3581.5258 6423.3426 307.0913 PRESSURE: 519600 0 0 0 0 0 0 0 0 0 GPRESSURE: 519600 0 0 0 0 0 0 0 0 0 PRESSAVG: 519600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 519600 0 0 0 0 0 0 0 0 0 TIMING: 519600 CPU: 2054.99, 0.00394785/step Wall: 2054.99, 0.00394785/step, 2.17175 hours remaining, 112.167969 MB of memory in use. ENERGY: 519600 638.5895 1903.6048 2045.8103 108.8940 0.0856 -1048.1508 0.0000 0.0000 2767.1989 6416.0324 305.6448 3648.8335 6454.2329 308.5778 PRESSURE: 519800 0 0 0 0 0 0 0 0 0 GPRESSURE: 519800 0 0 0 0 0 0 0 0 0 PRESSAVG: 519800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 519800 0 0 0 0 0 0 0 0 0 TIMING: 519800 CPU: 2055.78, 0.00394848/step Wall: 2055.78, 0.00394848/step, 2.17188 hours remaining, 112.167969 MB of memory in use. ENERGY: 519800 656.2564 1856.4733 2038.4877 109.3882 1.3946 -1033.7949 0.0000 0.0000 2751.4380 6379.6432 303.9040 3628.2052 6411.0231 306.9647 PRESSURE: 520000 0 0 0 0 0 0 0 0 0 GPRESSURE: 520000 0 0 0 0 0 0 0 0 0 PRESSAVG: 520000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 520000 0 0 0 0 0 0 0 0 0 TIMING: 520000 CPU: 2056.56, 0.00394398/step Wall: 2056.56, 0.00394398/step, 2.16919 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 520000 692.9907 1867.3366 2019.3670 104.2653 2.0871 -1043.3936 0.0000 0.0000 2696.7974 6339.4505 297.8688 3642.6531 6371.5777 304.9034 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 520000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 520000 WRITING COORDINATES TO RESTART FILE AT STEP 520000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 520000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 520200 0 0 0 0 0 0 0 0 0 GPRESSURE: 520200 0 0 0 0 0 0 0 0 0 PRESSAVG: 520200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 520200 0 0 0 0 0 0 0 0 0 TIMING: 520200 CPU: 2057.4, 0.00417222/step Wall: 2057.4, 0.00417222/step, 2.29449 hours remaining, 112.167969 MB of memory in use. ENERGY: 520200 701.1489 1820.7303 2024.8484 104.2542 0.1586 -1091.7377 0.0000 0.0000 2752.6515 6312.0541 304.0380 3559.4027 6349.9610 302.5378 LDB: ============= START OF LOAD BALANCING ============== 2060.36 LDB: ============== END OF LOAD BALANCING =============== 2060.36 LDB: =============== DONE WITH MIGRATION ================ 2060.36 LDB: ============= START OF LOAD BALANCING ============== 2060.75 LDB: ============== END OF LOAD BALANCING =============== 2060.75 LDB: =============== DONE WITH MIGRATION ================ 2060.75 PRESSURE: 520400 0 0 0 0 0 0 0 0 0 GPRESSURE: 520400 0 0 0 0 0 0 0 0 0 PRESSAVG: 520400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 520400 0 0 0 0 0 0 0 0 0 TIMING: 520400 CPU: 2058.19, 0.00395151/step Wall: 2058.19, 0.00395151/step, 2.17289 hours remaining, 112.167969 MB of memory in use. ENERGY: 520400 662.3366 1839.5271 2027.4826 110.4622 -0.1136 -1086.4675 0.0000 0.0000 2684.6646 6237.8920 296.5287 3553.2275 6273.5344 301.9704 PRESSURE: 520600 0 0 0 0 0 0 0 0 0 GPRESSURE: 520600 0 0 0 0 0 0 0 0 0 PRESSAVG: 520600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 520600 0 0 0 0 0 0 0 0 0 TIMING: 520600 CPU: 2058.98, 0.00395844/step Wall: 2058.98, 0.00395844/step, 2.17648 hours remaining, 112.167969 MB of memory in use. ENERGY: 520600 649.4761 1839.6019 2049.2867 113.6323 -0.1681 -1091.3156 0.0000 0.0000 2677.3919 6237.9052 295.7254 3560.5134 6271.9825 299.6203 PRESSURE: 520800 0 0 0 0 0 0 0 0 0 GPRESSURE: 520800 0 0 0 0 0 0 0 0 0 PRESSAVG: 520800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 520800 0 0 0 0 0 0 0 0 0 TIMING: 520800 CPU: 2059.77, 0.00394868/step Wall: 2059.77, 0.00394868/step, 2.17089 hours remaining, 112.167969 MB of memory in use. ENERGY: 520800 643.5716 1899.3129 2025.9731 125.6570 -0.2293 -1049.3823 0.0000 0.0000 2642.2958 6287.1989 291.8489 3644.9030 6316.1108 299.1781 PRESSURE: 521000 0 0 0 0 0 0 0 0 0 GPRESSURE: 521000 0 0 0 0 0 0 0 0 0 PRESSAVG: 521000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 521000 0 0 0 0 0 0 0 0 0 TIMING: 521000 CPU: 2060.56, 0.00394593/step Wall: 2060.56, 0.00394593/step, 2.16917 hours remaining, 112.167969 MB of memory in use. ENERGY: 521000 647.7117 1821.6127 2020.9016 107.0911 0.6429 -1064.8934 0.0000 0.0000 2678.7390 6211.8056 295.8742 3533.0666 6242.9912 300.8286 PRESSURE: 521200 0 0 0 0 0 0 0 0 0 GPRESSURE: 521200 0 0 0 0 0 0 0 0 0 PRESSAVG: 521200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 521200 0 0 0 0 0 0 0 0 0 TIMING: 521200 CPU: 2061.35, 0.0039495/step Wall: 2061.35, 0.0039495/step, 2.17091 hours remaining, 112.167969 MB of memory in use. ENERGY: 521200 656.5798 1857.4731 2018.8366 108.7759 1.4936 -1119.0505 0.0000 0.0000 2669.5387 6193.6473 294.8580 3524.1086 6224.8836 298.1916 PRESSURE: 521400 0 0 0 0 0 0 0 0 0 GPRESSURE: 521400 0 0 0 0 0 0 0 0 0 PRESSAVG: 521400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 521400 0 0 0 0 0 0 0 0 0 TIMING: 521400 CPU: 2062.14, 0.00394796/step Wall: 2062.14, 0.00394796/step, 2.16984 hours remaining, 112.167969 MB of memory in use. ENERGY: 521400 635.5212 1809.0754 2042.6886 106.5277 0.6613 -1067.9735 0.0000 0.0000 2714.9101 6241.4107 299.8694 3526.5006 6274.7471 298.2311 PRESSURE: 521600 0 0 0 0 0 0 0 0 0 GPRESSURE: 521600 0 0 0 0 0 0 0 0 0 PRESSAVG: 521600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 521600 0 0 0 0 0 0 0 0 0 TIMING: 521600 CPU: 2062.93, 0.00394753/step Wall: 2062.93, 0.00394753/step, 2.16939 hours remaining, 112.167969 MB of memory in use. ENERGY: 521600 663.8090 1838.0677 2000.2348 104.1890 1.7518 -1080.0008 0.0000 0.0000 2724.2800 6252.3314 300.9043 3528.0514 6286.4002 299.6578 PRESSURE: 521800 0 0 0 0 0 0 0 0 0 GPRESSURE: 521800 0 0 0 0 0 0 0 0 0 PRESSAVG: 521800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 521800 0 0 0 0 0 0 0 0 0 TIMING: 521800 CPU: 2063.72, 0.00394737/step Wall: 2063.72, 0.00394737/step, 2.16908 hours remaining, 112.167969 MB of memory in use. ENERGY: 521800 704.9734 1770.2480 2010.0450 98.3875 0.2701 -1076.0275 0.0000 0.0000 2707.2553 6215.1518 299.0239 3507.8965 6249.5247 298.5908 PRESSURE: 522000 0 0 0 0 0 0 0 0 0 GPRESSURE: 522000 0 0 0 0 0 0 0 0 0 PRESSAVG: 522000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 522000 0 0 0 0 0 0 0 0 0 TIMING: 522000 CPU: 2064.51, 0.00394352/step Wall: 2064.51, 0.00394352/step, 2.16674 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 522000 656.6038 1826.0298 2024.7826 102.6737 1.0257 -1042.1746 0.0000 0.0000 2688.8248 6257.7658 296.9882 3568.9410 6289.7656 297.9008 PRESSURE: 522200 0 0 0 0 0 0 0 0 0 GPRESSURE: 522200 0 0 0 0 0 0 0 0 0 PRESSAVG: 522200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 522200 0 0 0 0 0 0 0 0 0 TIMING: 522200 CPU: 2065.3, 0.00394802/step Wall: 2065.3, 0.00394802/step, 2.169 hours remaining, 112.167969 MB of memory in use. ENERGY: 522200 674.3764 1773.1575 2039.1889 104.9084 1.5622 -1065.1133 0.0000 0.0000 2720.6851 6248.7652 300.5073 3528.0801 6281.4394 298.5499 PRESSURE: 522400 0 0 0 0 0 0 0 0 0 GPRESSURE: 522400 0 0 0 0 0 0 0 0 0 PRESSAVG: 522400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 522400 0 0 0 0 0 0 0 0 0 TIMING: 522400 CPU: 2066.09, 0.00394866/step Wall: 2066.09, 0.00394866/step, 2.16913 hours remaining, 112.167969 MB of memory in use. ENERGY: 522400 701.7950 1806.0890 2006.4147 94.7297 1.6149 -1055.7903 0.0000 0.0000 2700.3294 6255.1825 298.2589 3554.8531 6286.9935 299.1587 PRESSURE: 522600 0 0 0 0 0 0 0 0 0 GPRESSURE: 522600 0 0 0 0 0 0 0 0 0 PRESSAVG: 522600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 522600 0 0 0 0 0 0 0 0 0 TIMING: 522600 CPU: 2066.88, 0.00394675/step Wall: 2066.88, 0.00394675/step, 2.16786 hours remaining, 112.167969 MB of memory in use. ENERGY: 522600 682.2569 1846.8281 2020.0347 114.9490 0.0029 -1112.9146 0.0000 0.0000 2678.8879 6230.0449 295.8906 3551.1570 6263.3213 299.7729 PRESSURE: 522800 0 0 0 0 0 0 0 0 0 GPRESSURE: 522800 0 0 0 0 0 0 0 0 0 PRESSAVG: 522800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 522800 0 0 0 0 0 0 0 0 0 TIMING: 522800 CPU: 2067.66, 0.00394441/step Wall: 2067.66, 0.00394441/step, 2.16636 hours remaining, 112.167969 MB of memory in use. ENERGY: 522800 653.9411 1848.2900 1994.1360 107.8029 2.5573 -1083.0223 0.0000 0.0000 2756.0965 6279.8015 304.4185 3523.7050 6314.7015 300.9913 PRESSURE: 523000 0 0 0 0 0 0 0 0 0 GPRESSURE: 523000 0 0 0 0 0 0 0 0 0 PRESSAVG: 523000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 523000 0 0 0 0 0 0 0 0 0 TIMING: 523000 CPU: 2068.45, 0.0039475/step Wall: 2068.45, 0.0039475/step, 2.16784 hours remaining, 112.167969 MB of memory in use. ENERGY: 523000 678.7200 1916.4744 2004.4387 113.7974 2.9033 -1076.3812 0.0000 0.0000 2714.4509 6354.4036 299.8187 3639.9527 6386.3446 302.9548 PRESSURE: 523200 0 0 0 0 0 0 0 0 0 GPRESSURE: 523200 0 0 0 0 0 0 0 0 0 PRESSAVG: 523200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 523200 0 0 0 0 0 0 0 0 0 TIMING: 523200 CPU: 2069.24, 0.00394933/step Wall: 2069.24, 0.00394933/step, 2.16862 hours remaining, 112.167969 MB of memory in use. ENERGY: 523200 652.4221 1868.1507 1999.4477 112.9381 1.9701 -1095.7651 0.0000 0.0000 2799.8149 6338.9785 309.2474 3539.1636 6373.8079 304.9957 PRESSURE: 523400 0 0 0 0 0 0 0 0 0 GPRESSURE: 523400 0 0 0 0 0 0 0 0 0 PRESSAVG: 523400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 523400 0 0 0 0 0 0 0 0 0 TIMING: 523400 CPU: 2070.03, 0.00394659/step Wall: 2070.03, 0.00394659/step, 2.1669 hours remaining, 112.167969 MB of memory in use. ENERGY: 523400 657.3434 1868.7143 2029.9895 102.6612 2.7236 -1114.1063 0.0000 0.0000 2705.9379 6253.2634 298.8784 3547.3256 6285.6040 302.3156 PRESSURE: 523600 0 0 0 0 0 0 0 0 0 GPRESSURE: 523600 0 0 0 0 0 0 0 0 0 PRESSAVG: 523600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 523600 0 0 0 0 0 0 0 0 0 TIMING: 523600 CPU: 2070.82, 0.00394588/step Wall: 2070.82, 0.00394588/step, 2.16629 hours remaining, 112.167969 MB of memory in use. ENERGY: 523600 654.7568 1878.5961 1995.7481 117.9271 1.4340 -1085.7109 0.0000 0.0000 2712.6806 6275.4318 299.6231 3562.7512 6309.5591 299.9705 PRESSURE: 523800 0 0 0 0 0 0 0 0 0 GPRESSURE: 523800 0 0 0 0 0 0 0 0 0 PRESSAVG: 523800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 523800 0 0 0 0 0 0 0 0 0 TIMING: 523800 CPU: 2071.61, 0.00394714/step Wall: 2071.61, 0.00394714/step, 2.16676 hours remaining, 112.167969 MB of memory in use. ENERGY: 523800 618.1220 1878.3471 1992.3671 113.7471 1.4625 -1097.9174 0.0000 0.0000 2728.3069 6234.4353 301.3491 3506.1284 6269.8900 301.0903 PRESSURE: 524000 0 0 0 0 0 0 0 0 0 GPRESSURE: 524000 0 0 0 0 0 0 0 0 0 PRESSAVG: 524000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 524000 0 0 0 0 0 0 0 0 0 TIMING: 524000 CPU: 2072.4, 0.00394835/step Wall: 2072.4, 0.00394835/step, 2.1672 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 524000 657.9472 1837.5694 2013.5343 104.0604 0.4045 -1053.0738 0.0000 0.0000 2713.1205 6273.5624 299.6717 3560.4420 6307.7288 298.6116 PRESSURE: 524200 0 0 0 0 0 0 0 0 0 GPRESSURE: 524200 0 0 0 0 0 0 0 0 0 PRESSAVG: 524200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 524200 0 0 0 0 0 0 0 0 0 TIMING: 524200 CPU: 2073.19, 0.00394987/step Wall: 2073.19, 0.00394987/step, 2.16782 hours remaining, 112.167969 MB of memory in use. ENERGY: 524200 609.8270 1876.1385 2031.6744 112.6823 1.0892 -1055.6561 0.0000 0.0000 2681.4315 6257.1868 296.1716 3575.7553 6290.9886 300.8197 LDB: ============= START OF LOAD BALANCING ============== 2076.15 LDB: ============== END OF LOAD BALANCING =============== 2076.15 LDB: =============== DONE WITH MIGRATION ================ 2076.15 LDB: ============= START OF LOAD BALANCING ============== 2076.55 LDB: ============== END OF LOAD BALANCING =============== 2076.55 LDB: =============== DONE WITH MIGRATION ================ 2076.55 PRESSURE: 524400 0 0 0 0 0 0 0 0 0 GPRESSURE: 524400 0 0 0 0 0 0 0 0 0 PRESSAVG: 524400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 524400 0 0 0 0 0 0 0 0 0 TIMING: 524400 CPU: 2073.98, 0.00395294/step Wall: 2073.98, 0.00395294/step, 2.16929 hours remaining, 112.167969 MB of memory in use. ENERGY: 524400 651.4792 1828.2169 2037.3189 114.8117 -0.1088 -1055.8594 0.0000 0.0000 2702.3954 6278.2539 298.4871 3575.8584 6309.9239 301.0254 PRESSURE: 524600 0 0 0 0 0 0 0 0 0 GPRESSURE: 524600 0 0 0 0 0 0 0 0 0 PRESSAVG: 524600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 524600 0 0 0 0 0 0 0 0 0 TIMING: 524600 CPU: 2074.77, 0.0039485/step Wall: 2074.77, 0.0039485/step, 2.16663 hours remaining, 112.167969 MB of memory in use. ENERGY: 524600 666.0962 1875.5929 2024.1111 109.6045 0.8843 -1102.1987 0.0000 0.0000 2680.5874 6254.6777 296.0783 3574.0903 6288.1461 301.1726 PRESSURE: 524800 0 0 0 0 0 0 0 0 0 GPRESSURE: 524800 0 0 0 0 0 0 0 0 0 PRESSAVG: 524800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 524800 0 0 0 0 0 0 0 0 0 TIMING: 524800 CPU: 2075.56, 0.00394545/step Wall: 2075.56, 0.00394545/step, 2.16474 hours remaining, 112.167969 MB of memory in use. ENERGY: 524800 679.7971 1852.8855 2031.2641 98.5843 1.6944 -1095.2993 0.0000 0.0000 2693.3868 6262.3128 297.4921 3568.9260 6296.8419 300.5951 PRESSURE: 525000 0 0 0 0 0 0 0 0 0 GPRESSURE: 525000 0 0 0 0 0 0 0 0 0 PRESSAVG: 525000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 525000 0 0 0 0 0 0 0 0 0 TIMING: 525000 CPU: 2076.35, 0.00394619/step Wall: 2076.35, 0.00394619/step, 2.16493 hours remaining, 112.167969 MB of memory in use. ENERGY: 525000 642.6683 1862.5071 1981.7096 107.0261 1.5609 -1071.3406 0.0000 0.0000 2797.2465 6321.3780 308.9637 3524.1315 6355.9902 303.0767 PRESSURE: 525200 0 0 0 0 0 0 0 0 0 GPRESSURE: 525200 0 0 0 0 0 0 0 0 0 PRESSAVG: 525200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 525200 0 0 0 0 0 0 0 0 0 TIMING: 525200 CPU: 2077.14, 0.00394816/step Wall: 2077.14, 0.00394816/step, 2.16579 hours remaining, 112.167969 MB of memory in use. ENERGY: 525200 713.5477 1815.3507 2000.6083 111.3524 1.7444 -1080.5486 0.0000 0.0000 2711.8102 6273.8650 299.5270 3562.0548 6305.6442 302.9560 PRESSURE: 525400 0 0 0 0 0 0 0 0 0 GPRESSURE: 525400 0 0 0 0 0 0 0 0 0 PRESSAVG: 525400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 525400 0 0 0 0 0 0 0 0 0 TIMING: 525400 CPU: 2077.93, 0.00394769/step Wall: 2077.93, 0.00394769/step, 2.16531 hours remaining, 112.167969 MB of memory in use. ENERGY: 525400 620.9003 1833.5554 2001.4143 97.7198 2.4835 -1065.6322 0.0000 0.0000 2659.1115 6149.5526 293.7063 3490.4411 6185.8613 295.5912 PRESSURE: 525600 0 0 0 0 0 0 0 0 0 GPRESSURE: 525600 0 0 0 0 0 0 0 0 0 PRESSAVG: 525600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 525600 0 0 0 0 0 0 0 0 0 TIMING: 525600 CPU: 2078.72, 0.00394443/step Wall: 2078.72, 0.00394443/step, 2.1633 hours remaining, 112.167969 MB of memory in use. ENERGY: 525600 626.9458 1800.6365 1998.3267 109.9095 0.7504 -1016.3661 0.0000 0.0000 2701.6021 6221.8049 298.3995 3520.2028 6254.1491 296.3231 PRESSURE: 525800 0 0 0 0 0 0 0 0 0 GPRESSURE: 525800 0 0 0 0 0 0 0 0 0 PRESSAVG: 525800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 525800 0 0 0 0 0 0 0 0 0 TIMING: 525800 CPU: 2079.51, 0.00394665/step Wall: 2079.51, 0.00394665/step, 2.1643 hours remaining, 112.167969 MB of memory in use. ENERGY: 525800 658.8932 1802.3082 2029.4958 106.7221 0.4868 -1069.6636 0.0000 0.0000 2665.7420 6193.9846 294.4386 3528.2426 6228.1370 297.5280 PRESSURE: 526000 0 0 0 0 0 0 0 0 0 GPRESSURE: 526000 0 0 0 0 0 0 0 0 0 PRESSAVG: 526000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 526000 0 0 0 0 0 0 0 0 0 TIMING: 526000 CPU: 2080.3, 0.00394648/step Wall: 2080.3, 0.00394648/step, 2.16399 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 526000 649.3122 1820.5234 1993.2841 112.5796 0.8389 -1072.0975 0.0000 0.0000 2675.6468 6180.0874 295.5326 3504.4406 6213.7644 296.8049 PRESSURE: 526200 0 0 0 0 0 0 0 0 0 GPRESSURE: 526200 0 0 0 0 0 0 0 0 0 PRESSAVG: 526200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 526200 0 0 0 0 0 0 0 0 0 TIMING: 526200 CPU: 2081.09, 0.00396916/step Wall: 2081.09, 0.00396916/step, 2.1762 hours remaining, 112.167969 MB of memory in use. ENERGY: 526200 635.0316 1825.4175 2005.3004 109.1754 0.7704 -1102.2544 0.0000 0.0000 2653.7825 6127.2233 293.1177 3473.4408 6161.1826 294.9027 PRESSURE: 526400 0 0 0 0 0 0 0 0 0 GPRESSURE: 526400 0 0 0 0 0 0 0 0 0 PRESSAVG: 526400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 526400 0 0 0 0 0 0 0 0 0 TIMING: 526400 CPU: 2081.88, 0.00395063/step Wall: 2081.88, 0.00395063/step, 2.16582 hours remaining, 112.167969 MB of memory in use. ENERGY: 526400 642.0296 1797.8537 2030.2242 101.4986 1.2640 -1105.5414 0.0000 0.0000 2723.6908 6191.0195 300.8392 3467.3287 6226.5463 295.2960 PRESSURE: 526600 0 0 0 0 0 0 0 0 0 GPRESSURE: 526600 0 0 0 0 0 0 0 0 0 PRESSAVG: 526600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 526600 0 0 0 0 0 0 0 0 0 TIMING: 526600 CPU: 2082.67, 0.00394893/step Wall: 2082.67, 0.00394893/step, 2.16467 hours remaining, 112.167969 MB of memory in use. ENERGY: 526600 628.6884 1809.1977 2018.9083 119.9097 2.5469 -1047.2092 0.0000 0.0000 2691.3724 6223.4142 297.2696 3532.0418 6257.4351 296.9031 PRESSURE: 526800 0 0 0 0 0 0 0 0 0 GPRESSURE: 526800 0 0 0 0 0 0 0 0 0 PRESSAVG: 526800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 526800 0 0 0 0 0 0 0 0 0 TIMING: 526800 CPU: 2083.46, 0.00394773/step Wall: 2083.46, 0.00394773/step, 2.1638 hours remaining, 112.167969 MB of memory in use. ENERGY: 526800 661.6647 1782.5310 2049.1423 110.2702 1.1130 -1040.4766 0.0000 0.0000 2674.4995 6238.7440 295.4059 3564.2445 6271.4959 297.9629 PRESSURE: 527000 0 0 0 0 0 0 0 0 0 GPRESSURE: 527000 0 0 0 0 0 0 0 0 0 PRESSAVG: 527000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 527000 0 0 0 0 0 0 0 0 0 TIMING: 527000 CPU: 2084.25, 0.00394851/step Wall: 2084.25, 0.00394851/step, 2.164 hours remaining, 112.167969 MB of memory in use. ENERGY: 527000 645.7671 1816.3224 2013.1497 108.5518 0.5289 -1073.1656 0.0000 0.0000 2632.6515 6143.8058 290.7837 3511.1543 6172.3240 296.5198 PRESSURE: 527200 0 0 0 0 0 0 0 0 0 GPRESSURE: 527200 0 0 0 0 0 0 0 0 0 PRESSAVG: 527200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 527200 0 0 0 0 0 0 0 0 0 TIMING: 527200 CPU: 2085.04, 0.00394864/step Wall: 2085.04, 0.00394864/step, 2.16385 hours remaining, 112.167969 MB of memory in use. ENERGY: 527200 667.0446 1803.1136 1994.1529 97.4815 1.4754 -1084.6127 0.0000 0.0000 2731.2126 6209.8678 301.6700 3478.6552 6243.5580 294.6939 PRESSURE: 527400 0 0 0 0 0 0 0 0 0 GPRESSURE: 527400 0 0 0 0 0 0 0 0 0 PRESSAVG: 527400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 527400 0 0 0 0 0 0 0 0 0 TIMING: 527400 CPU: 2085.83, 0.00394679/step Wall: 2085.83, 0.00394679/step, 2.16262 hours remaining, 112.167969 MB of memory in use. ENERGY: 527400 639.8030 1874.0298 2011.9512 105.8374 1.8754 -1085.0381 0.0000 0.0000 2653.7734 6202.2320 293.1167 3548.4586 6236.0112 296.5685 PRESSURE: 527600 0 0 0 0 0 0 0 0 0 GPRESSURE: 527600 0 0 0 0 0 0 0 0 0 PRESSAVG: 527600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 527600 0 0 0 0 0 0 0 0 0 TIMING: 527600 CPU: 2086.62, 0.00394426/step Wall: 2086.62, 0.00394426/step, 2.16101 hours remaining, 112.167969 MB of memory in use. ENERGY: 527600 652.7271 1823.4442 2024.5504 110.7180 1.3158 -1103.5059 0.0000 0.0000 2699.8881 6209.1377 298.2102 3509.2496 6242.8633 298.0996 PRESSURE: 527800 0 0 0 0 0 0 0 0 0 GPRESSURE: 527800 0 0 0 0 0 0 0 0 0 PRESSAVG: 527800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 527800 0 0 0 0 0 0 0 0 0 TIMING: 527800 CPU: 2087.41, 0.00394859/step Wall: 2087.41, 0.00394859/step, 2.16317 hours remaining, 112.167969 MB of memory in use. ENERGY: 527800 633.8294 1856.2958 2020.0099 99.9570 1.8399 -1130.5272 0.0000 0.0000 2723.3237 6204.7284 300.7987 3481.4048 6238.3680 298.2419 PRESSURE: 528000 0 0 0 0 0 0 0 0 0 GPRESSURE: 528000 0 0 0 0 0 0 0 0 0 PRESSAVG: 528000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 528000 0 0 0 0 0 0 0 0 0 TIMING: 528000 CPU: 2088.2, 0.00395576/step Wall: 2088.2, 0.00395576/step, 2.16688 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 528000 660.9134 1751.7914 2021.9635 96.1916 0.6369 -1094.7643 0.0000 0.0000 2777.9296 6214.6621 306.8301 3436.7326 6249.7811 296.2967 PRESSURE: 528200 0 0 0 0 0 0 0 0 0 GPRESSURE: 528200 0 0 0 0 0 0 0 0 0 PRESSAVG: 528200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 528200 0 0 0 0 0 0 0 0 0 TIMING: 528200 CPU: 2088.99, 0.00394561/step Wall: 2088.99, 0.00394561/step, 2.1611 hours remaining, 112.167969 MB of memory in use. ENERGY: 528200 659.0834 1811.3787 2025.3760 107.0695 1.9037 -1086.6314 0.0000 0.0000 2679.7635 6197.9433 295.9873 3518.1798 6230.4495 298.0882 LDB: ============= START OF LOAD BALANCING ============== 2091.95 LDB: ============== END OF LOAD BALANCING =============== 2091.95 LDB: =============== DONE WITH MIGRATION ================ 2091.95 LDB: ============= START OF LOAD BALANCING ============== 2092.34 LDB: ============== END OF LOAD BALANCING =============== 2092.34 LDB: =============== DONE WITH MIGRATION ================ 2092.34 PRESSURE: 528400 0 0 0 0 0 0 0 0 0 GPRESSURE: 528400 0 0 0 0 0 0 0 0 0 PRESSAVG: 528400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 528400 0 0 0 0 0 0 0 0 0 TIMING: 528400 CPU: 2089.78, 0.00395031/step Wall: 2089.78, 0.00395031/step, 2.16346 hours remaining, 112.167969 MB of memory in use. ENERGY: 528400 604.6278 1828.4284 2016.2418 118.1575 2.0650 -1044.1184 0.0000 0.0000 2723.5251 6248.9273 300.8209 3525.4022 6283.8401 297.6041 PRESSURE: 528600 0 0 0 0 0 0 0 0 0 GPRESSURE: 528600 0 0 0 0 0 0 0 0 0 PRESSAVG: 528600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 528600 0 0 0 0 0 0 0 0 0 TIMING: 528600 CPU: 2090.57, 0.00394323/step Wall: 2090.57, 0.00394323/step, 2.15935 hours remaining, 112.167969 MB of memory in use. ENERGY: 528600 667.8219 1805.9057 2023.6642 98.5363 3.1945 -1088.8398 0.0000 0.0000 2756.0369 6266.3197 304.4120 3510.2828 6301.0447 301.6222 PRESSURE: 528800 0 0 0 0 0 0 0 0 0 GPRESSURE: 528800 0 0 0 0 0 0 0 0 0 PRESSAVG: 528800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 528800 0 0 0 0 0 0 0 0 0 TIMING: 528800 CPU: 2091.36, 0.00394974/step Wall: 2091.36, 0.00394974/step, 2.1627 hours remaining, 112.167969 MB of memory in use. ENERGY: 528800 673.9241 1848.9927 2029.6995 115.0899 0.9851 -1094.7057 0.0000 0.0000 2669.8036 6243.7891 294.8872 3573.9856 6275.2114 302.0148 PRESSURE: 529000 0 0 0 0 0 0 0 0 0 GPRESSURE: 529000 0 0 0 0 0 0 0 0 0 PRESSAVG: 529000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 529000 0 0 0 0 0 0 0 0 0 TIMING: 529000 CPU: 2092.15, 0.00394639/step Wall: 2092.15, 0.00394639/step, 2.16065 hours remaining, 112.167969 MB of memory in use. ENERGY: 529000 668.1754 1838.1309 2025.1126 106.7774 2.1969 -1088.5675 0.0000 0.0000 2721.0258 6272.8515 300.5449 3551.8257 6305.9839 300.5174 PRESSURE: 529200 0 0 0 0 0 0 0 0 0 GPRESSURE: 529200 0 0 0 0 0 0 0 0 0 PRESSAVG: 529200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 529200 0 0 0 0 0 0 0 0 0 TIMING: 529200 CPU: 2092.93, 0.00394546/step Wall: 2092.93, 0.00394546/step, 2.15992 hours remaining, 112.167969 MB of memory in use. ENERGY: 529200 660.8235 1793.0070 2034.8240 104.2905 0.2421 -1067.1044 0.0000 0.0000 2695.2243 6221.3070 297.6950 3526.0827 6252.3380 300.6649 PRESSURE: 529400 0 0 0 0 0 0 0 0 0 GPRESSURE: 529400 0 0 0 0 0 0 0 0 0 PRESSAVG: 529400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 529400 0 0 0 0 0 0 0 0 0 TIMING: 529400 CPU: 2093.72, 0.00394336/step Wall: 2093.72, 0.00394336/step, 2.15855 hours remaining, 112.167969 MB of memory in use. ENERGY: 529400 613.7082 1848.6445 2024.0359 98.2749 1.5444 -1067.5509 0.0000 0.0000 2678.2131 6196.8701 295.8161 3518.6570 6231.2731 297.9957 PRESSURE: 529600 0 0 0 0 0 0 0 0 0 GPRESSURE: 529600 0 0 0 0 0 0 0 0 0 PRESSAVG: 529600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 529600 0 0 0 0 0 0 0 0 0 TIMING: 529600 CPU: 2094.51, 0.00394654/step Wall: 2094.51, 0.00394654/step, 2.16007 hours remaining, 112.167969 MB of memory in use. ENERGY: 529600 644.6275 1762.5350 2015.2602 109.5284 0.8741 -1069.0805 0.0000 0.0000 2701.8308 6165.5755 298.4247 3463.7447 6201.9416 294.5143 PRESSURE: 529800 0 0 0 0 0 0 0 0 0 GPRESSURE: 529800 0 0 0 0 0 0 0 0 0 PRESSAVG: 529800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 529800 0 0 0 0 0 0 0 0 0 TIMING: 529800 CPU: 2095.3, 0.00394617/step Wall: 2095.3, 0.00394617/step, 2.15965 hours remaining, 112.167969 MB of memory in use. ENERGY: 529800 649.6065 1796.2303 2023.3819 113.9310 0.4943 -1096.8972 0.0000 0.0000 2714.8444 6201.5911 299.8621 3486.7467 6236.6136 296.2172 PRESSURE: 530000 0 0 0 0 0 0 0 0 0 GPRESSURE: 530000 0 0 0 0 0 0 0 0 0 PRESSAVG: 530000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 530000 0 0 0 0 0 0 0 0 0 TIMING: 530000 CPU: 2096.09, 0.00394853/step Wall: 2096.09, 0.00394853/step, 2.16073 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 530000 668.2726 1777.1839 2022.1882 106.3106 1.3332 -1089.6264 0.0000 0.0000 2718.5398 6204.2019 300.2703 3485.6621 6239.4560 297.9830 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 530000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 530000 WRITING COORDINATES TO RESTART FILE AT STEP 530000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 530000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 530200 0 0 0 0 0 0 0 0 0 GPRESSURE: 530200 0 0 0 0 0 0 0 0 0 PRESSAVG: 530200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 530200 0 0 0 0 0 0 0 0 0 TIMING: 530200 CPU: 2096.92, 0.00413653/step Wall: 2096.92, 0.00413653/step, 2.26337 hours remaining, 112.167969 MB of memory in use. ENERGY: 530200 653.4792 1813.5963 2021.5313 104.7843 2.7724 -1083.9730 0.0000 0.0000 2691.4307 6203.6211 297.2760 3512.1904 6235.3255 298.5527 PRESSURE: 530400 0 0 0 0 0 0 0 0 0 GPRESSURE: 530400 0 0 0 0 0 0 0 0 0 PRESSAVG: 530400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 530400 0 0 0 0 0 0 0 0 0 TIMING: 530400 CPU: 2097.71, 0.00394393/step Wall: 2097.71, 0.00394393/step, 2.15777 hours remaining, 112.167969 MB of memory in use. ENERGY: 530400 653.2299 1815.8939 2016.5521 114.2861 1.7401 -1088.7375 0.0000 0.0000 2695.3661 6208.3307 297.7107 3512.9646 6244.9488 297.9044 PRESSURE: 530600 0 0 0 0 0 0 0 0 0 GPRESSURE: 530600 0 0 0 0 0 0 0 0 0 PRESSAVG: 530600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 530600 0 0 0 0 0 0 0 0 0 TIMING: 530600 CPU: 2098.5, 0.00394345/step Wall: 2098.5, 0.00394345/step, 2.15729 hours remaining, 112.167969 MB of memory in use. ENERGY: 530600 647.5198 1803.1026 2020.4802 93.9974 2.0028 -1086.2582 0.0000 0.0000 2707.7246 6188.5694 299.0757 3480.8448 6224.5231 296.8676 PRESSURE: 530800 0 0 0 0 0 0 0 0 0 GPRESSURE: 530800 0 0 0 0 0 0 0 0 0 PRESSAVG: 530800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 530800 0 0 0 0 0 0 0 0 0 TIMING: 530800 CPU: 2099.29, 0.00395263/step Wall: 2099.29, 0.00395263/step, 2.16209 hours remaining, 112.167969 MB of memory in use. ENERGY: 530800 640.8157 1837.0193 1985.0265 106.7172 1.3824 -1097.8097 0.0000 0.0000 2676.0962 6149.2477 295.5823 3473.1514 6181.2067 296.2575 PRESSURE: 531000 0 0 0 0 0 0 0 0 0 GPRESSURE: 531000 0 0 0 0 0 0 0 0 0 PRESSAVG: 531000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 531000 0 0 0 0 0 0 0 0 0 TIMING: 531000 CPU: 2100.08, 0.00394599/step Wall: 2100.08, 0.00394599/step, 2.15824 hours remaining, 112.167969 MB of memory in use. ENERGY: 531000 619.1821 1848.1962 1975.9929 100.6697 2.0503 -1057.7528 0.0000 0.0000 2711.3339 6199.6723 299.4744 3488.3384 6232.4731 297.0699 PRESSURE: 531200 0 0 0 0 0 0 0 0 0 GPRESSURE: 531200 0 0 0 0 0 0 0 0 0 PRESSAVG: 531200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 531200 0 0 0 0 0 0 0 0 0 TIMING: 531200 CPU: 2100.86, 0.00394415/step Wall: 2100.86, 0.00394415/step, 2.15701 hours remaining, 112.167969 MB of memory in use. ENERGY: 531200 608.2783 1819.3694 2034.1588 103.9497 1.4178 -1060.7395 0.0000 0.0000 2682.7426 6189.1771 296.3164 3506.4345 6221.3985 297.1202 PRESSURE: 531400 0 0 0 0 0 0 0 0 0 GPRESSURE: 531400 0 0 0 0 0 0 0 0 0 PRESSAVG: 531400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 531400 0 0 0 0 0 0 0 0 0 TIMING: 531400 CPU: 2101.65, 0.0039449/step Wall: 2101.65, 0.0039449/step, 2.1572 hours remaining, 112.167969 MB of memory in use. ENERGY: 531400 647.3329 1787.2823 1992.6526 90.2381 0.2237 -1092.1501 0.0000 0.0000 2800.4880 6226.0675 309.3217 3425.5795 6260.8733 297.6870 PRESSURE: 531600 0 0 0 0 0 0 0 0 0 GPRESSURE: 531600 0 0 0 0 0 0 0 0 0 PRESSAVG: 531600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 531600 0 0 0 0 0 0 0 0 0 TIMING: 531600 CPU: 2102.44, 0.00394489/step Wall: 2102.44, 0.00394489/step, 2.15698 hours remaining, 112.167969 MB of memory in use. ENERGY: 531600 667.4430 1866.7525 2002.1238 109.0211 1.1672 -1114.0414 0.0000 0.0000 2674.1881 6206.6543 295.3715 3532.4662 6239.2569 299.3722 PRESSURE: 531800 0 0 0 0 0 0 0 0 0 GPRESSURE: 531800 0 0 0 0 0 0 0 0 0 PRESSAVG: 531800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 531800 0 0 0 0 0 0 0 0 0 TIMING: 531800 CPU: 2103.23, 0.00394428/step Wall: 2103.23, 0.00394428/step, 2.15642 hours remaining, 112.167969 MB of memory in use. ENERGY: 531800 664.1770 1844.5163 2027.5911 106.3759 -0.1902 -1118.3604 0.0000 0.0000 2645.6991 6169.8087 292.2248 3524.1097 6199.6693 297.3945 PRESSURE: 532000 0 0 0 0 0 0 0 0 0 GPRESSURE: 532000 0 0 0 0 0 0 0 0 0 PRESSAVG: 532000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 532000 0 0 0 0 0 0 0 0 0 TIMING: 532000 CPU: 2104.02, 0.00394355/step Wall: 2104.02, 0.00394355/step, 2.15581 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 532000 642.2943 1872.6118 2009.6094 100.8768 0.1758 -1099.7619 0.0000 0.0000 2667.1512 6192.9573 294.5943 3525.8061 6226.9175 296.8937 PRESSURE: 532200 0 0 0 0 0 0 0 0 0 GPRESSURE: 532200 0 0 0 0 0 0 0 0 0 PRESSAVG: 532200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 532200 0 0 0 0 0 0 0 0 0 TIMING: 532200 CPU: 2104.81, 0.0039437/step Wall: 2104.81, 0.0039437/step, 2.15567 hours remaining, 112.167969 MB of memory in use. ENERGY: 532200 641.8210 1819.1952 2005.1480 101.2918 0.2425 -1115.2686 0.0000 0.0000 2733.1008 6185.5307 301.8786 3452.4299 6220.0974 297.5762 LDB: ============= START OF LOAD BALANCING ============== 2107.77 LDB: ============== END OF LOAD BALANCING =============== 2107.77 LDB: =============== DONE WITH MIGRATION ================ 2107.77 LDB: ============= START OF LOAD BALANCING ============== 2108.16 LDB: ============== END OF LOAD BALANCING =============== 2108.16 LDB: =============== DONE WITH MIGRATION ================ 2108.16 PRESSURE: 532400 0 0 0 0 0 0 0 0 0 GPRESSURE: 532400 0 0 0 0 0 0 0 0 0 PRESSAVG: 532400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 532400 0 0 0 0 0 0 0 0 0 TIMING: 532400 CPU: 2105.6, 0.00394677/step Wall: 2105.6, 0.00394677/step, 2.15713 hours remaining, 112.167969 MB of memory in use. ENERGY: 532400 686.3688 1826.5623 1993.1179 119.2199 -0.3265 -1106.9401 0.0000 0.0000 2685.4354 6203.4377 296.6138 3518.0024 6237.1194 295.7739 PRESSURE: 532600 0 0 0 0 0 0 0 0 0 GPRESSURE: 532600 0 0 0 0 0 0 0 0 0 PRESSAVG: 532600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 532600 0 0 0 0 0 0 0 0 0 TIMING: 532600 CPU: 2106.39, 0.00394379/step Wall: 2106.39, 0.00394379/step, 2.15528 hours remaining, 112.167969 MB of memory in use. ENERGY: 532600 655.3166 1852.9034 2016.7113 110.9112 1.6705 -1118.8433 0.0000 0.0000 2680.6966 6199.3662 296.0904 3518.6697 6229.4886 298.3581 PRESSURE: 532800 0 0 0 0 0 0 0 0 0 GPRESSURE: 532800 0 0 0 0 0 0 0 0 0 PRESSAVG: 532800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 532800 0 0 0 0 0 0 0 0 0 TIMING: 532800 CPU: 2107.18, 0.00394604/step Wall: 2107.18, 0.00394604/step, 2.15629 hours remaining, 112.167969 MB of memory in use. ENERGY: 532800 662.5693 1830.3444 2020.6595 106.1193 1.2137 -1081.5760 0.0000 0.0000 2678.9502 6218.2806 295.8975 3539.3303 6249.7969 298.9675 PRESSURE: 533000 0 0 0 0 0 0 0 0 0 GPRESSURE: 533000 0 0 0 0 0 0 0 0 0 PRESSAVG: 533000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 533000 0 0 0 0 0 0 0 0 0 TIMING: 533000 CPU: 2107.97, 0.00394327/step Wall: 2107.97, 0.00394327/step, 2.15456 hours remaining, 112.167969 MB of memory in use. ENERGY: 533000 658.2626 1810.7559 1983.2810 100.0393 2.7930 -1049.9924 0.0000 0.0000 2735.0215 6240.1610 302.0907 3505.1395 6271.6952 300.4578 PRESSURE: 533200 0 0 0 0 0 0 0 0 0 GPRESSURE: 533200 0 0 0 0 0 0 0 0 0 PRESSAVG: 533200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 533200 0 0 0 0 0 0 0 0 0 TIMING: 533200 CPU: 2108.75, 0.00394209/step Wall: 2108.75, 0.00394208/step, 2.15369 hours remaining, 112.167969 MB of memory in use. ENERGY: 533200 701.1678 1830.1203 1997.9769 111.6929 0.9313 -1120.2496 0.0000 0.0000 2782.7003 6304.3399 307.3570 3521.6395 6336.7262 301.8499 PRESSURE: 533400 0 0 0 0 0 0 0 0 0 GPRESSURE: 533400 0 0 0 0 0 0 0 0 0 PRESSAVG: 533400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 533400 0 0 0 0 0 0 0 0 0 TIMING: 533400 CPU: 2109.54, 0.00394648/step Wall: 2109.54, 0.00394648/step, 2.15587 hours remaining, 112.167969 MB of memory in use. ENERGY: 533400 680.0201 1799.1460 1997.8426 98.3821 1.7009 -1063.5139 0.0000 0.0000 2726.3426 6239.9203 301.1321 3513.5777 6271.2580 300.4698 PRESSURE: 533600 0 0 0 0 0 0 0 0 0 GPRESSURE: 533600 0 0 0 0 0 0 0 0 0 PRESSAVG: 533600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 533600 0 0 0 0 0 0 0 0 0 TIMING: 533600 CPU: 2110.33, 0.0039442/step Wall: 2110.33, 0.00394421/step, 2.15441 hours remaining, 112.167969 MB of memory in use. ENERGY: 533600 636.0663 1839.2621 2038.3844 102.0865 2.4566 -1050.5355 0.0000 0.0000 2699.0754 6266.7956 298.1204 3567.7203 6299.1685 299.0890 PRESSURE: 533800 0 0 0 0 0 0 0 0 0 GPRESSURE: 533800 0 0 0 0 0 0 0 0 0 PRESSAVG: 533800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 533800 0 0 0 0 0 0 0 0 0 TIMING: 533800 CPU: 2111.12, 0.00394575/step Wall: 2111.12, 0.00394575/step, 2.15504 hours remaining, 112.167969 MB of memory in use. ENERGY: 533800 642.8212 1877.5676 2025.8898 115.6944 2.7321 -1082.0217 0.0000 0.0000 2734.8558 6317.5392 302.0724 3582.6834 6352.5034 301.2157 PRESSURE: 534000 0 0 0 0 0 0 0 0 0 GPRESSURE: 534000 0 0 0 0 0 0 0 0 0 PRESSAVG: 534000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 534000 0 0 0 0 0 0 0 0 0 TIMING: 534000 CPU: 2111.91, 0.00394418/step Wall: 2111.91, 0.00394418/step, 2.15396 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 534000 667.1254 1832.8480 1990.2479 112.7073 0.6292 -1054.2460 0.0000 0.0000 2680.8764 6230.1882 296.1103 3549.3118 6258.6533 301.4769 PRESSURE: 534200 0 0 0 0 0 0 0 0 0 GPRESSURE: 534200 0 0 0 0 0 0 0 0 0 PRESSAVG: 534200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 534200 0 0 0 0 0 0 0 0 0 TIMING: 534200 CPU: 2112.7, 0.00394252/step Wall: 2112.7, 0.00394252/step, 2.15283 hours remaining, 112.167969 MB of memory in use. ENERGY: 534200 671.1127 1838.2801 2002.7576 107.0228 2.7899 -1083.2955 0.0000 0.0000 2688.4479 6227.1154 296.9466 3538.6675 6258.1415 297.2599 PRESSURE: 534400 0 0 0 0 0 0 0 0 0 GPRESSURE: 534400 0 0 0 0 0 0 0 0 0 PRESSAVG: 534400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 534400 0 0 0 0 0 0 0 0 0 TIMING: 534400 CPU: 2113.49, 0.00394682/step Wall: 2113.49, 0.00394682/step, 2.15496 hours remaining, 112.167969 MB of memory in use. ENERGY: 534400 639.1404 1824.3389 2018.7449 94.5763 3.0665 -1088.1411 0.0000 0.0000 2753.7642 6245.4901 304.1609 3491.7260 6279.0857 297.9291 PRESSURE: 534600 0 0 0 0 0 0 0 0 0 GPRESSURE: 534600 0 0 0 0 0 0 0 0 0 PRESSAVG: 534600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 534600 0 0 0 0 0 0 0 0 0 TIMING: 534600 CPU: 2114.28, 0.00394467/step Wall: 2114.28, 0.00394467/step, 2.15357 hours remaining, 112.167969 MB of memory in use. ENERGY: 534600 660.5514 1812.0554 2003.1472 113.4135 1.2309 -1075.6755 0.0000 0.0000 2719.9305 6234.6533 300.4239 3514.7228 6270.9005 299.7109 PRESSURE: 534800 0 0 0 0 0 0 0 0 0 GPRESSURE: 534800 0 0 0 0 0 0 0 0 0 PRESSAVG: 534800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 534800 0 0 0 0 0 0 0 0 0 TIMING: 534800 CPU: 2115.07, 0.00394471/step Wall: 2115.07, 0.00394471/step, 2.15337 hours remaining, 112.167969 MB of memory in use. ENERGY: 534800 630.7934 1859.4192 2014.2257 115.6072 0.4051 -1122.7864 0.0000 0.0000 2699.8355 6197.4996 298.2044 3497.6641 6232.0557 300.0701 PRESSURE: 535000 0 0 0 0 0 0 0 0 0 GPRESSURE: 535000 0 0 0 0 0 0 0 0 0 PRESSAVG: 535000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 535000 0 0 0 0 0 0 0 0 0 TIMING: 535000 CPU: 2115.85, 0.0039439/step Wall: 2115.85, 0.0039439/step, 2.15271 hours remaining, 112.167969 MB of memory in use. ENERGY: 535000 646.8004 1816.3222 2009.6032 101.6690 2.5514 -1088.6311 0.0000 0.0000 2657.3983 6145.7134 293.5170 3488.3151 6177.6888 295.2367 PRESSURE: 535200 0 0 0 0 0 0 0 0 0 GPRESSURE: 535200 0 0 0 0 0 0 0 0 0 PRESSAVG: 535200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 535200 0 0 0 0 0 0 0 0 0 TIMING: 535200 CPU: 2116.64, 0.00394074/step Wall: 2116.64, 0.00394074/step, 2.15077 hours remaining, 112.167969 MB of memory in use. ENERGY: 535200 659.5014 1806.6904 2030.0658 98.4590 1.9571 -1083.7323 0.0000 0.0000 2700.0091 6212.9505 298.2235 3512.9414 6245.4186 295.3832 PRESSURE: 535400 0 0 0 0 0 0 0 0 0 GPRESSURE: 535400 0 0 0 0 0 0 0 0 0 PRESSAVG: 535400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 535400 0 0 0 0 0 0 0 0 0 TIMING: 535400 CPU: 2117.43, 0.00394488/step Wall: 2117.43, 0.00394488/step, 2.15281 hours remaining, 112.167969 MB of memory in use. ENERGY: 535400 654.2005 1836.2122 2018.7202 105.3012 0.7432 -1097.2788 0.0000 0.0000 2698.6548 6216.5533 298.0739 3517.8985 6248.7644 298.0910 PRESSURE: 535600 0 0 0 0 0 0 0 0 0 GPRESSURE: 535600 0 0 0 0 0 0 0 0 0 PRESSAVG: 535600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 535600 0 0 0 0 0 0 0 0 0 TIMING: 535600 CPU: 2118.22, 0.00394364/step Wall: 2118.22, 0.00394364/step, 2.15191 hours remaining, 112.167969 MB of memory in use. ENERGY: 535600 633.4138 1853.6681 2009.2853 108.3600 0.6134 -1092.3682 0.0000 0.0000 2749.6984 6262.6707 303.7118 3512.9723 6294.7729 301.0916 PRESSURE: 535800 0 0 0 0 0 0 0 0 0 GPRESSURE: 535800 0 0 0 0 0 0 0 0 0 PRESSAVG: 535800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 535800 0 0 0 0 0 0 0 0 0 TIMING: 535800 CPU: 2119.01, 0.0039459/step Wall: 2119.01, 0.0039459/step, 2.15293 hours remaining, 112.167969 MB of memory in use. ENERGY: 535800 664.0537 1863.3877 2017.8888 121.1211 0.5845 -1073.0957 0.0000 0.0000 2708.0950 6302.0350 299.1166 3593.9400 6334.3438 300.9540 PRESSURE: 536000 0 0 0 0 0 0 0 0 0 GPRESSURE: 536000 0 0 0 0 0 0 0 0 0 PRESSAVG: 536000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 536000 0 0 0 0 0 0 0 0 0 TIMING: 536000 CPU: 2119.8, 0.00394295/step Wall: 2119.8, 0.00394295/step, 2.1511 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 536000 654.3104 1820.3347 1990.4966 112.2336 1.0994 -1061.5711 0.0000 0.0000 2743.2705 6260.1742 303.0019 3516.9036 6294.5407 301.2291 PRESSURE: 536200 0 0 0 0 0 0 0 0 0 GPRESSURE: 536200 0 0 0 0 0 0 0 0 0 PRESSAVG: 536200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 536200 0 0 0 0 0 0 0 0 0 TIMING: 536200 CPU: 2120.59, 0.00394505/step Wall: 2120.59, 0.00394505/step, 2.15202 hours remaining, 112.167969 MB of memory in use. ENERGY: 536200 677.1353 1793.0168 1987.6223 108.3361 1.3098 -1062.0305 0.0000 0.0000 2712.9807 6218.3706 299.6563 3505.3898 6254.3312 300.9171 LDB: ============= START OF LOAD BALANCING ============== 2123.55 LDB: ============== END OF LOAD BALANCING =============== 2123.55 LDB: =============== DONE WITH MIGRATION ================ 2123.55 LDB: ============= START OF LOAD BALANCING ============== 2123.94 LDB: ============== END OF LOAD BALANCING =============== 2123.94 LDB: =============== DONE WITH MIGRATION ================ 2123.94 PRESSURE: 536400 0 0 0 0 0 0 0 0 0 GPRESSURE: 536400 0 0 0 0 0 0 0 0 0 PRESSAVG: 536400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 536400 0 0 0 0 0 0 0 0 0 TIMING: 536400 CPU: 2121.38, 0.00395148/step Wall: 2121.38, 0.00395148/step, 2.15531 hours remaining, 112.167969 MB of memory in use. ENERGY: 536400 628.7286 1790.6406 2027.7893 110.9578 2.8722 -1061.7438 0.0000 0.0000 2733.0041 6232.2488 301.8679 3499.2447 6265.7537 299.4042 PRESSURE: 536600 0 0 0 0 0 0 0 0 0 GPRESSURE: 536600 0 0 0 0 0 0 0 0 0 PRESSAVG: 536600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 536600 0 0 0 0 0 0 0 0 0 TIMING: 536600 CPU: 2122.17, 0.00394531/step Wall: 2122.17, 0.00394531/step, 2.15173 hours remaining, 112.167969 MB of memory in use. ENERGY: 536600 657.6403 1820.0846 2021.2105 100.4996 0.7695 -1066.3875 0.0000 0.0000 2730.3983 6264.2151 301.5801 3533.8169 6295.9768 299.9080 PRESSURE: 536800 0 0 0 0 0 0 0 0 0 GPRESSURE: 536800 0 0 0 0 0 0 0 0 0 PRESSAVG: 536800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 536800 0 0 0 0 0 0 0 0 0 TIMING: 536800 CPU: 2122.96, 0.00394495/step Wall: 2122.96, 0.00394495/step, 2.15131 hours remaining, 112.167969 MB of memory in use. ENERGY: 536800 681.5639 1846.1352 2015.2201 113.3811 1.6611 -1076.8607 0.0000 0.0000 2741.2507 6322.3512 302.7788 3581.1005 6352.9875 304.1540 PRESSURE: 537000 0 0 0 0 0 0 0 0 0 GPRESSURE: 537000 0 0 0 0 0 0 0 0 0 PRESSAVG: 537000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 537000 0 0 0 0 0 0 0 0 0 TIMING: 537000 CPU: 2123.74, 0.00394278/step Wall: 2123.74, 0.00394278/step, 2.14991 hours remaining, 112.167969 MB of memory in use. ENERGY: 537000 647.0270 1808.1213 2001.8144 121.8055 1.0612 -1083.2097 0.0000 0.0000 2786.2885 6282.9083 307.7533 3496.6198 6318.6488 303.7633 PRESSURE: 537200 0 0 0 0 0 0 0 0 0 GPRESSURE: 537200 0 0 0 0 0 0 0 0 0 PRESSAVG: 537200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 537200 0 0 0 0 0 0 0 0 0 TIMING: 537200 CPU: 2124.53, 0.00394601/step Wall: 2124.53, 0.00394601/step, 2.15145 hours remaining, 112.167969 MB of memory in use. ENERGY: 537200 652.6652 1845.1907 1997.0925 96.3188 2.8027 -1093.7534 0.0000 0.0000 2782.6098 6282.9263 307.3470 3500.3164 6316.3588 304.4659 PRESSURE: 537400 0 0 0 0 0 0 0 0 0 GPRESSURE: 537400 0 0 0 0 0 0 0 0 0 PRESSAVG: 537400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 537400 0 0 0 0 0 0 0 0 0 TIMING: 537400 CPU: 2125.32, 0.00394534/step Wall: 2125.32, 0.00394534/step, 2.15087 hours remaining, 112.167969 MB of memory in use. ENERGY: 537400 644.0883 1854.7019 2023.4205 103.7569 2.3316 -1068.6860 0.0000 0.0000 2731.2106 6290.8238 301.6698 3559.6132 6326.8319 301.5179 PRESSURE: 537600 0 0 0 0 0 0 0 0 0 GPRESSURE: 537600 0 0 0 0 0 0 0 0 0 PRESSAVG: 537600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 537600 0 0 0 0 0 0 0 0 0 TIMING: 537600 CPU: 2126.11, 0.0039447/step Wall: 2126.11, 0.0039447/step, 2.1503 hours remaining, 112.167969 MB of memory in use. ENERGY: 537600 651.6986 1873.7597 2019.0782 123.0408 2.9808 -1076.9633 0.0000 0.0000 2717.8896 6311.4845 300.1985 3593.5949 6345.4691 302.6425 PRESSURE: 537800 0 0 0 0 0 0 0 0 0 GPRESSURE: 537800 0 0 0 0 0 0 0 0 0 PRESSAVG: 537800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 537800 0 0 0 0 0 0 0 0 0 TIMING: 537800 CPU: 2126.9, 0.00394471/step Wall: 2126.9, 0.00394471/step, 2.15009 hours remaining, 112.167969 MB of memory in use. ENERGY: 537800 635.7977 1852.1293 1984.9282 111.5183 3.5593 -1119.9598 0.0000 0.0000 2792.2817 6260.2548 308.4153 3467.9730 6298.2659 304.1269 PRESSURE: 538000 0 0 0 0 0 0 0 0 0 GPRESSURE: 538000 0 0 0 0 0 0 0 0 0 PRESSAVG: 538000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 538000 0 0 0 0 0 0 0 0 0 TIMING: 538000 CPU: 2127.69, 0.00394233/step Wall: 2127.69, 0.00394233/step, 2.14857 hours remaining, 112.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 538000 621.1545 1835.4388 1997.8443 115.2039 1.9635 -1094.6329 0.0000 0.0000 2749.0708 6226.0429 303.6425 3476.9720 6260.3461 300.8274 PRESSURE: 538200 0 0 0 0 0 0 0 0 0 GPRESSURE: 538200 0 0 0 0 0 0 0 0 0 PRESSAVG: 538200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 538200 0 0 0 0 0 0 0 0 0 TIMING: 538200 CPU: 2128.48, 0.00394642/step Wall: 2128.48, 0.00394642/step, 2.15058 hours remaining, 112.171875 MB of memory in use. ENERGY: 538200 668.5467 1858.8922 2005.7664 103.2008 1.9338 -1111.5683 0.0000 0.0000 2695.0971 6221.8687 297.6810 3526.7716 6253.8914 300.5487 PRESSURE: 538400 0 0 0 0 0 0 0 0 0 GPRESSURE: 538400 0 0 0 0 0 0 0 0 0 PRESSAVG: 538400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 538400 0 0 0 0 0 0 0 0 0 TIMING: 538400 CPU: 2129.27, 0.00394718/step Wall: 2129.27, 0.00394718/step, 2.15077 hours remaining, 112.171875 MB of memory in use. ENERGY: 538400 629.2267 1881.1294 1980.7001 110.1294 0.9596 -1080.2915 0.0000 0.0000 2763.7091 6285.5630 305.2594 3521.8538 6316.7786 302.4986 PRESSURE: 538600 0 0 0 0 0 0 0 0 0 GPRESSURE: 538600 0 0 0 0 0 0 0 0 0 PRESSAVG: 538600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 538600 0 0 0 0 0 0 0 0 0 TIMING: 538600 CPU: 2130.06, 0.00394388/step Wall: 2130.06, 0.00394388/step, 2.14876 hours remaining, 112.171875 MB of memory in use. ENERGY: 538600 647.4672 1856.8928 2022.0658 100.3502 0.9821 -1050.8448 0.0000 0.0000 2730.9970 6307.9101 301.6462 3576.9131 6341.1475 301.1580 PRESSURE: 538800 0 0 0 0 0 0 0 0 0 GPRESSURE: 538800 0 0 0 0 0 0 0 0 0 PRESSAVG: 538800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 538800 0 0 0 0 0 0 0 0 0 TIMING: 538800 CPU: 2130.84, 0.00394596/step Wall: 2130.84, 0.00394596/step, 2.14967 hours remaining, 112.171875 MB of memory in use. ENERGY: 538800 649.8606 1870.3825 2042.2656 117.3314 1.5784 -1080.3584 0.0000 0.0000 2719.0626 6320.1227 300.3280 3601.0602 6353.0954 301.2608 PRESSURE: 539000 0 0 0 0 0 0 0 0 0 GPRESSURE: 539000 0 0 0 0 0 0 0 0 0 PRESSAVG: 539000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 539000 0 0 0 0 0 0 0 0 0 TIMING: 539000 CPU: 2131.63, 0.00394352/step Wall: 2131.63, 0.00394352/step, 2.14812 hours remaining, 112.171875 MB of memory in use. ENERGY: 539000 637.6294 1794.8722 2021.2206 104.8083 2.3363 -1026.3442 0.0000 0.0000 2770.0374 6304.5600 305.9583 3534.5226 6339.2352 302.6535 PRESSURE: 539200 0 0 0 0 0 0 0 0 0 GPRESSURE: 539200 0 0 0 0 0 0 0 0 0 PRESSAVG: 539200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 539200 0 0 0 0 0 0 0 0 0 TIMING: 539200 CPU: 2132.42, 0.00394474/step Wall: 2132.42, 0.00394474/step, 2.14857 hours remaining, 112.171875 MB of memory in use. ENERGY: 539200 634.7483 1885.0486 2044.6462 117.7970 1.9341 -1079.6330 0.0000 0.0000 2722.1769 6326.7181 300.6720 3604.5412 6358.2064 304.5423 PRESSURE: 539400 0 0 0 0 0 0 0 0 0 GPRESSURE: 539400 0 0 0 0 0 0 0 0 0 PRESSAVG: 539400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 539400 0 0 0 0 0 0 0 0 0 TIMING: 539400 CPU: 2133.21, 0.00394606/step Wall: 2133.21, 0.00394606/step, 2.14907 hours remaining, 112.171875 MB of memory in use. ENERGY: 539400 662.1413 1876.4886 2019.9079 113.3321 2.3971 -1096.5786 0.0000 0.0000 2697.3657 6275.0541 297.9316 3577.6884 6309.7783 302.4615 PRESSURE: 539600 0 0 0 0 0 0 0 0 0 GPRESSURE: 539600 0 0 0 0 0 0 0 0 0 PRESSAVG: 539600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 539600 0 0 0 0 0 0 0 0 0 TIMING: 539600 CPU: 2134, 0.00394638/step Wall: 2134, 0.00394638/step, 2.14902 hours remaining, 112.171875 MB of memory in use. ENERGY: 539600 649.5530 1825.5057 2049.6166 108.4434 2.3015 -1087.4696 0.0000 0.0000 2708.9284 6256.8789 299.2087 3547.9506 6289.6798 301.2679 PRESSURE: 539800 0 0 0 0 0 0 0 0 0 GPRESSURE: 539800 0 0 0 0 0 0 0 0 0 PRESSAVG: 539800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 539800 0 0 0 0 0 0 0 0 0 TIMING: 539800 CPU: 2134.79, 0.00394156/step Wall: 2134.79, 0.00394156/step, 2.14618 hours remaining, 112.171875 MB of memory in use. ENERGY: 539800 666.8866 1825.3949 2016.6793 101.7865 2.6581 -1074.7200 0.0000 0.0000 2739.4758 6278.1612 302.5827 3538.6854 6311.7131 301.4779 PRESSURE: 540000 0 0 0 0 0 0 0 0 0 GPRESSURE: 540000 0 0 0 0 0 0 0 0 0 PRESSAVG: 540000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 540000 0 0 0 0 0 0 0 0 0 TIMING: 540000 CPU: 2135.58, 0.00394568/step Wall: 2135.58, 0.00394568/step, 2.1482 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 540000 641.6528 1880.5814 1996.9478 112.2517 1.9992 -1070.1369 0.0000 0.0000 2730.9850 6294.2810 301.6449 3563.2960 6326.2404 301.0141 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 540000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 540000 WRITING COORDINATES TO RESTART FILE AT STEP 540000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 540000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 540200 0 0 0 0 0 0 0 0 0 GPRESSURE: 540200 0 0 0 0 0 0 0 0 0 PRESSAVG: 540200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 540200 0 0 0 0 0 0 0 0 0 TIMING: 540200 CPU: 2136.44, 0.00430634/step Wall: 2136.44, 0.00430634/step, 2.34433 hours remaining, 112.171875 MB of memory in use. ENERGY: 540200 663.6480 1848.0894 2012.8310 113.8345 3.5785 -1046.1264 0.0000 0.0000 2682.5660 6278.4210 296.2969 3595.8549 6309.3851 300.1144 LDB: ============= START OF LOAD BALANCING ============== 2139.4 LDB: ============== END OF LOAD BALANCING =============== 2139.4 LDB: =============== DONE WITH MIGRATION ================ 2139.4 LDB: ============= START OF LOAD BALANCING ============== 2139.79 LDB: ============== END OF LOAD BALANCING =============== 2139.79 LDB: =============== DONE WITH MIGRATION ================ 2139.79 PRESSURE: 540400 0 0 0 0 0 0 0 0 0 GPRESSURE: 540400 0 0 0 0 0 0 0 0 0 PRESSAVG: 540400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 540400 0 0 0 0 0 0 0 0 0 TIMING: 540400 CPU: 2137.23, 0.00394998/step Wall: 2137.23, 0.00394998/step, 2.1501 hours remaining, 112.171875 MB of memory in use. ENERGY: 540400 659.5809 1880.0971 2007.0690 110.1968 2.7901 -1097.4099 0.0000 0.0000 2715.7023 6278.0263 299.9569 3562.3241 6308.7727 300.9792 PRESSURE: 540600 0 0 0 0 0 0 0 0 0 GPRESSURE: 540600 0 0 0 0 0 0 0 0 0 PRESSAVG: 540600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 540600 0 0 0 0 0 0 0 0 0 TIMING: 540600 CPU: 2138.02, 0.00394517/step Wall: 2138.02, 0.00394517/step, 2.14727 hours remaining, 112.171875 MB of memory in use. ENERGY: 540600 636.8077 1841.0279 1995.5027 107.6474 2.6653 -1068.7433 0.0000 0.0000 2691.9499 6206.8577 297.3334 3514.9077 6242.9700 298.5249 PRESSURE: 540800 0 0 0 0 0 0 0 0 0 GPRESSURE: 540800 0 0 0 0 0 0 0 0 0 PRESSAVG: 540800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 540800 0 0 0 0 0 0 0 0 0 TIMING: 540800 CPU: 2138.81, 0.00394106/step Wall: 2138.81, 0.00394106/step, 2.14481 hours remaining, 112.171875 MB of memory in use. ENERGY: 540800 639.9916 1810.0302 2046.4081 104.4293 2.6268 -1108.8597 0.0000 0.0000 2675.1279 6169.7541 295.4753 3494.6262 6202.0243 296.8555 PRESSURE: 541000 0 0 0 0 0 0 0 0 0 GPRESSURE: 541000 0 0 0 0 0 0 0 0 0 PRESSAVG: 541000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 541000 0 0 0 0 0 0 0 0 0 TIMING: 541000 CPU: 2139.6, 0.00395829/step Wall: 2139.6, 0.00395829/step, 2.15397 hours remaining, 112.171875 MB of memory in use. ENERGY: 541000 633.6569 1840.9544 2012.0798 106.1876 2.8686 -1121.3500 0.0000 0.0000 2727.5021 6201.8994 301.2602 3474.3973 6235.5883 297.3201 PRESSURE: 541200 0 0 0 0 0 0 0 0 0 GPRESSURE: 541200 0 0 0 0 0 0 0 0 0 PRESSAVG: 541200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 541200 0 0 0 0 0 0 0 0 0 TIMING: 541200 CPU: 2140.39, 0.00394452/step Wall: 2140.39, 0.00394452/step, 2.14626 hours remaining, 112.171875 MB of memory in use. ENERGY: 541200 660.4587 1815.5102 2019.6114 105.1170 2.1621 -1107.9598 0.0000 0.0000 2729.4174 6224.3171 301.4718 3494.8997 6255.4910 299.2135 PRESSURE: 541400 0 0 0 0 0 0 0 0 0 GPRESSURE: 541400 0 0 0 0 0 0 0 0 0 PRESSAVG: 541400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 541400 0 0 0 0 0 0 0 0 0 TIMING: 541400 CPU: 2141.18, 0.00396231/step Wall: 2141.18, 0.0039623/step, 2.15571 hours remaining, 112.171875 MB of memory in use. ENERGY: 541400 661.5118 1788.8653 2017.3726 110.7542 2.8887 -1109.5839 0.0000 0.0000 2692.3766 6164.1854 297.3805 3471.8087 6197.8047 296.8093 PRESSURE: 541600 0 0 0 0 0 0 0 0 0 GPRESSURE: 541600 0 0 0 0 0 0 0 0 0 PRESSAVG: 541600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 541600 0 0 0 0 0 0 0 0 0 TIMING: 541600 CPU: 2141.97, 0.00394747/step Wall: 2141.97, 0.00394747/step, 2.14743 hours remaining, 112.171875 MB of memory in use. ENERGY: 541600 681.3766 1835.9463 2007.9187 110.0580 2.2133 -1143.2172 0.0000 0.0000 2674.8648 6169.1605 295.4463 3494.2956 6202.1523 297.0541 PRESSURE: 541800 0 0 0 0 0 0 0 0 0 GPRESSURE: 541800 0 0 0 0 0 0 0 0 0 PRESSAVG: 541800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 541800 0 0 0 0 0 0 0 0 0 TIMING: 541800 CPU: 2142.76, 0.00394595/step Wall: 2142.76, 0.00394595/step, 2.14638 hours remaining, 112.171875 MB of memory in use. ENERGY: 541800 648.2000 1810.3972 2018.9034 103.4298 0.7991 -1106.1250 0.0000 0.0000 2688.9972 6164.6016 297.0072 3475.6044 6195.3192 295.1336 PRESSURE: 542000 0 0 0 0 0 0 0 0 0 GPRESSURE: 542000 0 0 0 0 0 0 0 0 0 PRESSAVG: 542000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 542000 0 0 0 0 0 0 0 0 0 TIMING: 542000 CPU: 2143.55, 0.00394676/step Wall: 2143.55, 0.00394676/step, 2.1466 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 542000 640.5293 1811.8068 1986.2373 98.6781 0.8270 -1090.5767 0.0000 0.0000 2686.8365 6134.3382 296.7686 3447.5018 6167.0037 294.9827 PRESSURE: 542200 0 0 0 0 0 0 0 0 0 GPRESSURE: 542200 0 0 0 0 0 0 0 0 0 PRESSAVG: 542200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 542200 0 0 0 0 0 0 0 0 0 TIMING: 542200 CPU: 2144.34, 0.00394611/step Wall: 2144.34, 0.00394611/step, 2.14603 hours remaining, 112.171875 MB of memory in use. ENERGY: 542200 652.3799 1811.6548 2018.5346 104.6120 1.8583 -1104.5218 0.0000 0.0000 2675.7056 6160.2233 295.5391 3484.5178 6192.2647 295.2432 PRESSURE: 542400 0 0 0 0 0 0 0 0 0 GPRESSURE: 542400 0 0 0 0 0 0 0 0 0 PRESSAVG: 542400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 542400 0 0 0 0 0 0 0 0 0 TIMING: 542400 CPU: 2145.13, 0.00394846/step Wall: 2145.13, 0.00394846/step, 2.14709 hours remaining, 112.171875 MB of memory in use. ENERGY: 542400 638.8337 1885.5504 1978.5391 110.4450 1.5667 -1090.4794 0.0000 0.0000 2664.4483 6188.9038 294.2957 3524.4555 6222.8496 297.9588 PRESSURE: 542600 0 0 0 0 0 0 0 0 0 GPRESSURE: 542600 0 0 0 0 0 0 0 0 0 PRESSAVG: 542600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 542600 0 0 0 0 0 0 0 0 0 TIMING: 542600 CPU: 2145.92, 0.00394528/step Wall: 2145.92, 0.00394528/step, 2.14514 hours remaining, 112.171875 MB of memory in use. ENERGY: 542600 652.2928 1821.2577 1995.5526 99.9755 2.4430 -1103.7493 0.0000 0.0000 2716.3327 6184.1050 300.0265 3467.7723 6216.6189 297.2957 PRESSURE: 542800 0 0 0 0 0 0 0 0 0 GPRESSURE: 542800 0 0 0 0 0 0 0 0 0 PRESSAVG: 542800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 542800 0 0 0 0 0 0 0 0 0 TIMING: 542800 CPU: 2146.7, 0.00394208/step Wall: 2146.7, 0.00394208/step, 2.14318 hours remaining, 112.171875 MB of memory in use. ENERGY: 542800 688.1491 1790.2155 1989.4311 112.4462 1.2292 -1082.1726 0.0000 0.0000 2705.8516 6205.1501 298.8688 3499.2985 6237.1131 297.6681 PRESSURE: 543000 0 0 0 0 0 0 0 0 0 GPRESSURE: 543000 0 0 0 0 0 0 0 0 0 PRESSAVG: 543000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 543000 0 0 0 0 0 0 0 0 0 TIMING: 543000 CPU: 2147.49, 0.00394644/step Wall: 2147.49, 0.00394644/step, 2.14533 hours remaining, 112.171875 MB of memory in use. ENERGY: 543000 682.5903 1878.2885 2018.5271 105.2079 2.1378 -1113.8764 0.0000 0.0000 2651.1524 6224.0276 292.8272 3572.8752 6256.4075 298.8920 PRESSURE: 543200 0 0 0 0 0 0 0 0 0 GPRESSURE: 543200 0 0 0 0 0 0 0 0 0 PRESSAVG: 543200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 543200 0 0 0 0 0 0 0 0 0 TIMING: 543200 CPU: 2148.28, 0.00394702/step Wall: 2148.28, 0.00394702/step, 2.14543 hours remaining, 112.171875 MB of memory in use. ENERGY: 543200 654.6498 1872.7307 2016.3440 108.7485 0.4175 -1105.0989 0.0000 0.0000 2730.4218 6278.2133 301.5827 3547.7914 6311.2496 300.4185 PRESSURE: 543400 0 0 0 0 0 0 0 0 0 GPRESSURE: 543400 0 0 0 0 0 0 0 0 0 PRESSAVG: 543400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 543400 0 0 0 0 0 0 0 0 0 TIMING: 543400 CPU: 2149.07, 0.00394739/step Wall: 2149.07, 0.00394739/step, 2.14541 hours remaining, 112.171875 MB of memory in use. ENERGY: 543400 654.3247 1809.3418 2030.4148 101.8921 1.1420 -1074.7240 0.0000 0.0000 2731.7235 6254.1150 301.7265 3522.3914 6289.6452 300.6808 PRESSURE: 543600 0 0 0 0 0 0 0 0 0 GPRESSURE: 543600 0 0 0 0 0 0 0 0 0 PRESSAVG: 543600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 543600 0 0 0 0 0 0 0 0 0 TIMING: 543600 CPU: 2149.86, 0.00394228/step Wall: 2149.86, 0.00394228/step, 2.14241 hours remaining, 112.171875 MB of memory in use. ENERGY: 543600 648.7427 1893.8287 2025.7523 110.3403 2.1216 -1072.1360 0.0000 0.0000 2662.3558 6271.0054 294.0646 3608.6496 6302.8599 300.3887 PRESSURE: 543800 0 0 0 0 0 0 0 0 0 GPRESSURE: 543800 0 0 0 0 0 0 0 0 0 PRESSAVG: 543800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 543800 0 0 0 0 0 0 0 0 0 TIMING: 543800 CPU: 2150.65, 0.00394475/step Wall: 2150.65, 0.00394475/step, 2.14353 hours remaining, 112.171875 MB of memory in use. ENERGY: 543800 691.3668 1874.5870 2002.3892 100.2542 0.6871 -1119.5033 0.0000 0.0000 2726.6148 6276.3957 301.1622 3549.7809 6306.7753 300.1746 PRESSURE: 544000 0 0 0 0 0 0 0 0 0 GPRESSURE: 544000 0 0 0 0 0 0 0 0 0 PRESSAVG: 544000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 544000 0 0 0 0 0 0 0 0 0 TIMING: 544000 CPU: 2151.44, 0.00394663/step Wall: 2151.44, 0.00394662/step, 2.14433 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 544000 627.8376 1839.5313 1987.1385 103.5948 -0.9299 -1076.2338 0.0000 0.0000 2721.2426 6202.1812 300.5688 3480.9386 6235.1718 297.6880 PRESSURE: 544200 0 0 0 0 0 0 0 0 0 GPRESSURE: 544200 0 0 0 0 0 0 0 0 0 PRESSAVG: 544200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 544200 0 0 0 0 0 0 0 0 0 TIMING: 544200 CPU: 2152.23, 0.00394593/step Wall: 2152.23, 0.00394593/step, 2.14374 hours remaining, 112.171875 MB of memory in use. ENERGY: 544200 628.5114 1828.5652 2032.4391 100.3222 0.0777 -1100.7447 0.0000 0.0000 2700.2968 6189.4677 298.2553 3489.1709 6223.4496 296.0858 LDB: ============= START OF LOAD BALANCING ============== 2155.19 LDB: ============== END OF LOAD BALANCING =============== 2155.19 LDB: =============== DONE WITH MIGRATION ================ 2155.19 LDB: ============= START OF LOAD BALANCING ============== 2155.58 LDB: ============== END OF LOAD BALANCING =============== 2155.58 LDB: =============== DONE WITH MIGRATION ================ 2155.58 PRESSURE: 544400 0 0 0 0 0 0 0 0 0 GPRESSURE: 544400 0 0 0 0 0 0 0 0 0 PRESSAVG: 544400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 544400 0 0 0 0 0 0 0 0 0 TIMING: 544400 CPU: 2153.02, 0.0039564/step Wall: 2153.02, 0.0039564/step, 2.14921 hours remaining, 112.171875 MB of memory in use. ENERGY: 544400 685.6127 1820.9843 1985.1926 96.1460 -0.1884 -1078.1972 0.0000 0.0000 2675.1503 6184.7004 295.4778 3509.5500 6218.0307 296.5849 PRESSURE: 544600 0 0 0 0 0 0 0 0 0 GPRESSURE: 544600 0 0 0 0 0 0 0 0 0 PRESSAVG: 544600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 544600 0 0 0 0 0 0 0 0 0 TIMING: 544600 CPU: 2153.81, 0.00394191/step Wall: 2153.81, 0.00394191/step, 2.14111 hours remaining, 112.171875 MB of memory in use. ENERGY: 544600 669.9854 1850.2139 2012.9537 102.8610 0.8944 -1082.2855 0.0000 0.0000 2672.1296 6226.7525 295.1442 3554.6229 6259.7549 298.4780 PRESSURE: 544800 0 0 0 0 0 0 0 0 0 GPRESSURE: 544800 0 0 0 0 0 0 0 0 0 PRESSAVG: 544800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 544800 0 0 0 0 0 0 0 0 0 TIMING: 544800 CPU: 2154.6, 0.00394607/step Wall: 2154.6, 0.00394607/step, 2.14315 hours remaining, 112.171875 MB of memory in use. ENERGY: 544800 607.8024 1832.9812 2017.5336 93.3150 0.7137 -1102.2850 0.0000 0.0000 2793.7742 6243.8351 308.5801 3450.0609 6282.7611 298.1548 PRESSURE: 545000 0 0 0 0 0 0 0 0 0 GPRESSURE: 545000 0 0 0 0 0 0 0 0 0 PRESSAVG: 545000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 545000 0 0 0 0 0 0 0 0 0 TIMING: 545000 CPU: 2155.39, 0.00394769/step Wall: 2155.39, 0.00394769/step, 2.14382 hours remaining, 112.171875 MB of memory in use. ENERGY: 545000 631.0280 1867.2319 1995.2303 105.3410 0.2578 -1066.2014 0.0000 0.0000 2733.0089 6265.8966 301.8684 3532.8877 6299.6927 299.0570 PRESSURE: 545200 0 0 0 0 0 0 0 0 0 GPRESSURE: 545200 0 0 0 0 0 0 0 0 0 PRESSAVG: 545200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 545200 0 0 0 0 0 0 0 0 0 TIMING: 545200 CPU: 2156.18, 0.0039458/step Wall: 2156.18, 0.0039458/step, 2.14257 hours remaining, 112.171875 MB of memory in use. ENERGY: 545200 668.0590 1798.2221 2010.9879 113.2776 2.1780 -1046.4885 0.0000 0.0000 2670.2979 6216.5340 294.9418 3546.2362 6246.9594 299.4362 PRESSURE: 545400 0 0 0 0 0 0 0 0 0 GPRESSURE: 545400 0 0 0 0 0 0 0 0 0 PRESSAVG: 545400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 545400 0 0 0 0 0 0 0 0 0 TIMING: 545400 CPU: 2156.97, 0.00394506/step Wall: 2156.97, 0.00394506/step, 2.14195 hours remaining, 112.171875 MB of memory in use. ENERGY: 545400 683.9148 1802.4572 2027.1409 115.2006 0.6929 -1069.0372 0.0000 0.0000 2701.2067 6261.5760 298.3558 3560.3693 6291.1440 299.5144 PRESSURE: 545600 0 0 0 0 0 0 0 0 0 GPRESSURE: 545600 0 0 0 0 0 0 0 0 0 PRESSAVG: 545600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 545600 0 0 0 0 0 0 0 0 0 TIMING: 545600 CPU: 2157.75, 0.00394377/step Wall: 2157.75, 0.00394377/step, 2.14103 hours remaining, 112.171875 MB of memory in use. ENERGY: 545600 646.9380 1861.1774 1996.5464 111.4261 1.2255 -1085.5407 0.0000 0.0000 2738.7219 6270.4947 302.4995 3531.7728 6305.4352 301.1410 PRESSURE: 545800 0 0 0 0 0 0 0 0 0 GPRESSURE: 545800 0 0 0 0 0 0 0 0 0 PRESSAVG: 545800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 545800 0 0 0 0 0 0 0 0 0 TIMING: 545800 CPU: 2158.54, 0.00394727/step Wall: 2158.54, 0.00394727/step, 2.14271 hours remaining, 112.171875 MB of memory in use. ENERGY: 545800 675.6300 1816.5233 2019.6797 107.3390 2.4608 -1078.8926 0.0000 0.0000 2654.7655 6197.5058 293.2262 3542.7402 6229.3104 300.6152 PRESSURE: 546000 0 0 0 0 0 0 0 0 0 GPRESSURE: 546000 0 0 0 0 0 0 0 0 0 PRESSAVG: 546000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 546000 0 0 0 0 0 0 0 0 0 TIMING: 546000 CPU: 2159.33, 0.00394625/step Wall: 2159.33, 0.00394625/step, 2.14194 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 546000 669.4769 1839.2425 1988.0887 121.0412 1.8565 -1068.9320 0.0000 0.0000 2715.2037 6265.9774 299.9018 3550.7738 6299.4735 299.5769 PRESSURE: 546200 0 0 0 0 0 0 0 0 0 GPRESSURE: 546200 0 0 0 0 0 0 0 0 0 PRESSAVG: 546200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 546200 0 0 0 0 0 0 0 0 0 TIMING: 546200 CPU: 2160.12, 0.00394626/step Wall: 2160.12, 0.00394626/step, 2.14172 hours remaining, 112.171875 MB of memory in use. ENERGY: 546200 666.2867 1831.6510 1988.5930 122.3858 2.8684 -1070.2816 0.0000 0.0000 2719.7370 6261.2404 300.4025 3541.5034 6295.9691 299.6831 PRESSURE: 546400 0 0 0 0 0 0 0 0 0 GPRESSURE: 546400 0 0 0 0 0 0 0 0 0 PRESSAVG: 546400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 546400 0 0 0 0 0 0 0 0 0 TIMING: 546400 CPU: 2160.91, 0.00394595/step Wall: 2160.91, 0.00394595/step, 2.14133 hours remaining, 112.171875 MB of memory in use. ENERGY: 546400 682.0147 1813.5402 1990.8061 112.1653 1.6048 -1100.4441 0.0000 0.0000 2752.6743 6252.3612 304.0405 3499.6870 6287.9742 299.6584 PRESSURE: 546600 0 0 0 0 0 0 0 0 0 GPRESSURE: 546600 0 0 0 0 0 0 0 0 0 PRESSAVG: 546600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 546600 0 0 0 0 0 0 0 0 0 TIMING: 546600 CPU: 2161.7, 0.00394575/step Wall: 2161.7, 0.00394575/step, 2.14101 hours remaining, 112.171875 MB of memory in use. ENERGY: 546600 655.4607 1850.0325 2014.7304 98.8189 1.1195 -1095.1669 0.0000 0.0000 2756.8012 6281.7962 304.4964 3524.9951 6315.8243 300.0013 PRESSURE: 546800 0 0 0 0 0 0 0 0 0 GPRESSURE: 546800 0 0 0 0 0 0 0 0 0 PRESSAVG: 546800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 546800 0 0 0 0 0 0 0 0 0 TIMING: 546800 CPU: 2162.49, 0.00394781/step Wall: 2162.49, 0.00394781/step, 2.14191 hours remaining, 112.171875 MB of memory in use. ENERGY: 546800 690.4683 1841.8082 2003.2956 112.4061 1.6255 -1086.1831 0.0000 0.0000 2719.8201 6283.2408 300.4117 3563.4207 6315.9957 300.7222 PRESSURE: 547000 0 0 0 0 0 0 0 0 0 GPRESSURE: 547000 0 0 0 0 0 0 0 0 0 PRESSAVG: 547000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 547000 0 0 0 0 0 0 0 0 0 TIMING: 547000 CPU: 2163.28, 0.00394754/step Wall: 2163.28, 0.00394754/step, 2.14154 hours remaining, 112.171875 MB of memory in use. ENERGY: 547000 639.4741 1824.9972 2022.1950 97.6802 0.7353 -1060.2476 0.0000 0.0000 2726.9459 6251.7801 301.1988 3524.8342 6282.2440 301.0603 PRESSURE: 547200 0 0 0 0 0 0 0 0 0 GPRESSURE: 547200 0 0 0 0 0 0 0 0 0 PRESSAVG: 547200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 547200 0 0 0 0 0 0 0 0 0 TIMING: 547200 CPU: 2164.07, 0.00394621/step Wall: 2164.07, 0.00394621/step, 2.1406 hours remaining, 112.171875 MB of memory in use. ENERGY: 547200 655.2019 1851.7533 1995.9223 110.5574 1.3545 -1091.9620 0.0000 0.0000 2704.5852 6227.4126 298.7290 3522.8273 6260.9324 299.3273 PRESSURE: 547400 0 0 0 0 0 0 0 0 0 GPRESSURE: 547400 0 0 0 0 0 0 0 0 0 PRESSAVG: 547400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 547400 0 0 0 0 0 0 0 0 0 TIMING: 547400 CPU: 2164.86, 0.00394281/step Wall: 2164.86, 0.00394281/step, 2.13854 hours remaining, 112.171875 MB of memory in use. ENERGY: 547400 639.4180 1824.3896 2035.2996 113.4663 1.3682 -1091.4568 0.0000 0.0000 2669.2090 6191.6939 294.8216 3522.4849 6225.6074 297.2971 PRESSURE: 547600 0 0 0 0 0 0 0 0 0 GPRESSURE: 547600 0 0 0 0 0 0 0 0 0 PRESSAVG: 547600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 547600 0 0 0 0 0 0 0 0 0 TIMING: 547600 CPU: 2165.65, 0.00394586/step Wall: 2165.65, 0.00394586/step, 2.13997 hours remaining, 112.171875 MB of memory in use. ENERGY: 547600 662.2466 1851.4871 2012.6572 101.7392 1.9544 -1058.5768 0.0000 0.0000 2677.6310 6249.1387 295.7518 3571.5077 6281.0529 297.8951 PRESSURE: 547800 0 0 0 0 0 0 0 0 0 GPRESSURE: 547800 0 0 0 0 0 0 0 0 0 PRESSAVG: 547800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 547800 0 0 0 0 0 0 0 0 0 TIMING: 547800 CPU: 2166.44, 0.0039472/step Wall: 2166.44, 0.0039472/step, 2.14048 hours remaining, 112.171875 MB of memory in use. ENERGY: 547800 664.1632 1801.1153 2036.9646 114.7138 1.5300 -1082.1257 0.0000 0.0000 2726.6037 6262.9649 301.1610 3536.3612 6295.1575 300.8286 PRESSURE: 548000 0 0 0 0 0 0 0 0 0 GPRESSURE: 548000 0 0 0 0 0 0 0 0 0 PRESSAVG: 548000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 548000 0 0 0 0 0 0 0 0 0 TIMING: 548000 CPU: 2167.22, 0.00394585/step Wall: 2167.22, 0.00394585/step, 2.13953 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 548000 657.0592 1849.4621 2033.9443 103.1738 0.8507 -1103.8374 0.0000 0.0000 2726.5104 6267.1631 301.1507 3540.6526 6303.3591 301.2106 PRESSURE: 548200 0 0 0 0 0 0 0 0 0 GPRESSURE: 548200 0 0 0 0 0 0 0 0 0 PRESSAVG: 548200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 548200 0 0 0 0 0 0 0 0 0 TIMING: 548200 CPU: 2168.01, 0.00394642/step Wall: 2168.01, 0.00394642/step, 2.13962 hours remaining, 112.171875 MB of memory in use. ENERGY: 548200 674.6498 1864.5473 2035.0061 121.6637 0.6290 -1082.5131 0.0000 0.0000 2709.3211 6323.3040 299.2521 3613.9829 6357.5969 302.1014 LDB: ============= START OF LOAD BALANCING ============== 2170.97 LDB: ============== END OF LOAD BALANCING =============== 2170.97 LDB: =============== DONE WITH MIGRATION ================ 2170.97 LDB: ============= START OF LOAD BALANCING ============== 2171.37 LDB: ============== END OF LOAD BALANCING =============== 2171.37 LDB: =============== DONE WITH MIGRATION ================ 2171.37 PRESSURE: 548400 0 0 0 0 0 0 0 0 0 GPRESSURE: 548400 0 0 0 0 0 0 0 0 0 PRESSAVG: 548400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 548400 0 0 0 0 0 0 0 0 0 TIMING: 548400 CPU: 2168.8, 0.00394755/step Wall: 2168.8, 0.00394755/step, 2.14001 hours remaining, 112.171875 MB of memory in use. ENERGY: 548400 692.1743 1847.7689 2013.6051 107.4567 1.8023 -1047.4804 0.0000 0.0000 2752.4446 6367.7716 304.0152 3615.3270 6398.3476 304.8347 PRESSURE: 548600 0 0 0 0 0 0 0 0 0 GPRESSURE: 548600 0 0 0 0 0 0 0 0 0 PRESSAVG: 548600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 548600 0 0 0 0 0 0 0 0 0 TIMING: 548600 CPU: 2169.59, 0.00394756/step Wall: 2169.59, 0.00394756/step, 2.1398 hours remaining, 112.171875 MB of memory in use. ENERGY: 548600 681.2229 1810.3063 2016.8812 111.3906 1.0867 -1037.0517 0.0000 0.0000 2771.4351 6355.2712 306.1127 3583.8360 6389.6333 304.1444 PRESSURE: 548800 0 0 0 0 0 0 0 0 0 GPRESSURE: 548800 0 0 0 0 0 0 0 0 0 PRESSAVG: 548800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 548800 0 0 0 0 0 0 0 0 0 TIMING: 548800 CPU: 2170.38, 0.00394532/step Wall: 2170.38, 0.00394532/step, 2.13836 hours remaining, 112.171875 MB of memory in use. ENERGY: 548800 646.2586 1826.0333 2000.3381 112.3318 3.0282 -1025.8887 0.0000 0.0000 2717.3116 6279.4128 300.1346 3562.1012 6308.7602 302.8552 PRESSURE: 549000 0 0 0 0 0 0 0 0 0 GPRESSURE: 549000 0 0 0 0 0 0 0 0 0 PRESSAVG: 549000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 549000 0 0 0 0 0 0 0 0 0 TIMING: 549000 CPU: 2171.17, 0.00394762/step Wall: 2171.17, 0.00394762/step, 2.13939 hours remaining, 112.171875 MB of memory in use. ENERGY: 549000 645.5821 1861.5697 2047.2645 108.7265 1.8316 -1095.1007 0.0000 0.0000 2758.7190 6328.5927 304.7082 3569.8737 6362.5261 304.5934 PRESSURE: 549200 0 0 0 0 0 0 0 0 0 GPRESSURE: 549200 0 0 0 0 0 0 0 0 0 PRESSAVG: 549200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 549200 0 0 0 0 0 0 0 0 0 TIMING: 549200 CPU: 2171.96, 0.00394502/step Wall: 2171.96, 0.00394502/step, 2.13776 hours remaining, 112.171875 MB of memory in use. ENERGY: 549200 654.0941 1816.4004 2024.6604 112.8318 1.4777 -1059.7446 0.0000 0.0000 2778.2335 6327.9533 306.8636 3549.7198 6361.0287 303.7714 PRESSURE: 549400 0 0 0 0 0 0 0 0 0 GPRESSURE: 549400 0 0 0 0 0 0 0 0 0 PRESSAVG: 549400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 549400 0 0 0 0 0 0 0 0 0 TIMING: 549400 CPU: 2172.75, 0.0039438/step Wall: 2172.75, 0.0039438/step, 2.13688 hours remaining, 112.171875 MB of memory in use. ENERGY: 549400 661.1040 1839.8780 1991.9750 108.1924 1.6985 -1049.0600 0.0000 0.0000 2785.1158 6338.9036 307.6238 3553.7879 6371.0744 304.2967 PRESSURE: 549600 0 0 0 0 0 0 0 0 0 GPRESSURE: 549600 0 0 0 0 0 0 0 0 0 PRESSAVG: 549600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 549600 0 0 0 0 0 0 0 0 0 TIMING: 549600 CPU: 2173.54, 0.00394747/step Wall: 2173.54, 0.00394747/step, 2.13865 hours remaining, 112.171875 MB of memory in use. ENERGY: 549600 666.3540 1882.5547 2022.1379 100.4286 2.3448 -1068.4644 0.0000 0.0000 2725.6970 6331.0526 301.0608 3605.3556 6365.0211 304.4613 PRESSURE: 549800 0 0 0 0 0 0 0 0 0 GPRESSURE: 549800 0 0 0 0 0 0 0 0 0 PRESSAVG: 549800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 549800 0 0 0 0 0 0 0 0 0 TIMING: 549800 CPU: 2174.33, 0.0039476/step Wall: 2174.33, 0.0039476/step, 2.13851 hours remaining, 112.171875 MB of memory in use. ENERGY: 549800 635.8700 1836.3206 2026.7896 107.8448 4.4142 -1060.2504 0.0000 0.0000 2737.1060 6288.0947 302.3210 3550.9888 6322.0447 302.1776 PRESSURE: 550000 0 0 0 0 0 0 0 0 0 GPRESSURE: 550000 0 0 0 0 0 0 0 0 0 PRESSAVG: 550000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 550000 0 0 0 0 0 0 0 0 0 TIMING: 550000 CPU: 2175.12, 0.0039491/step Wall: 2175.12, 0.0039491/step, 2.1391 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 550000 657.1652 1805.2229 2033.3455 111.7915 2.9111 -1097.0785 0.0000 0.0000 2688.8774 6202.2351 296.9940 3513.3577 6235.0776 297.4649 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 550000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 550000 WRITING COORDINATES TO RESTART FILE AT STEP 550000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 550000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 550200 0 0 0 0 0 0 0 0 0 GPRESSURE: 550200 0 0 0 0 0 0 0 0 0 PRESSAVG: 550200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 550200 0 0 0 0 0 0 0 0 0 TIMING: 550200 CPU: 2175.94, 0.00411461/step Wall: 2175.94, 0.00411461/step, 2.22852 hours remaining, 112.171875 MB of memory in use. ENERGY: 550200 632.8390 1811.6479 1996.6150 112.8183 3.3797 -1075.9500 0.0000 0.0000 2632.0337 6113.3836 290.7155 3481.3498 6147.1938 294.0239 PRESSURE: 550400 0 0 0 0 0 0 0 0 0 GPRESSURE: 550400 0 0 0 0 0 0 0 0 0 PRESSAVG: 550400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 550400 0 0 0 0 0 0 0 0 0 TIMING: 550400 CPU: 2176.73, 0.00394585/step Wall: 2176.73, 0.00394585/step, 2.1369 hours remaining, 112.171875 MB of memory in use. ENERGY: 550400 629.4677 1775.6956 2008.8392 109.1217 4.4152 -1095.0942 0.0000 0.0000 2681.7975 6114.2427 296.2120 3432.4452 6146.0410 292.9395 PRESSURE: 550600 0 0 0 0 0 0 0 0 0 GPRESSURE: 550600 0 0 0 0 0 0 0 0 0 PRESSAVG: 550600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 550600 0 0 0 0 0 0 0 0 0 TIMING: 550600 CPU: 2177.52, 0.00394998/step Wall: 2177.52, 0.00394998/step, 2.13891 hours remaining, 112.171875 MB of memory in use. ENERGY: 550600 645.5827 1789.0010 2016.9287 108.2124 3.0803 -1084.4159 0.0000 0.0000 2676.3207 6154.7099 295.6071 3478.3892 6184.9552 294.2110 PRESSURE: 550800 0 0 0 0 0 0 0 0 0 GPRESSURE: 550800 0 0 0 0 0 0 0 0 0 PRESSAVG: 550800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 550800 0 0 0 0 0 0 0 0 0 TIMING: 550800 CPU: 2178.31, 0.00394958/step Wall: 2178.31, 0.00394958/step, 2.13848 hours remaining, 112.171875 MB of memory in use. ENERGY: 550800 662.1390 1808.2624 1991.7156 109.2044 4.1544 -1058.7325 0.0000 0.0000 2694.4466 6211.1899 297.6091 3516.7433 6238.9115 294.9048 PRESSURE: 551000 0 0 0 0 0 0 0 0 0 GPRESSURE: 551000 0 0 0 0 0 0 0 0 0 PRESSAVG: 551000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 551000 0 0 0 0 0 0 0 0 0 TIMING: 551000 CPU: 2179.1, 0.00395537/step Wall: 2179.1, 0.00395537/step, 2.1414 hours remaining, 112.171875 MB of memory in use. ENERGY: 551000 650.8785 1776.6113 2020.6371 105.4395 3.1197 -1089.4915 0.0000 0.0000 2679.9898 6147.1844 296.0123 3467.1946 6180.8249 295.0718 PRESSURE: 551200 0 0 0 0 0 0 0 0 0 GPRESSURE: 551200 0 0 0 0 0 0 0 0 0 PRESSAVG: 551200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 551200 0 0 0 0 0 0 0 0 0 TIMING: 551200 CPU: 2179.89, 0.00394453/step Wall: 2179.89, 0.00394453/step, 2.13531 hours remaining, 112.171875 MB of memory in use. ENERGY: 551200 660.7117 1797.3186 2000.5544 103.4609 2.9191 -1092.4085 0.0000 0.0000 2672.5697 6145.1260 295.1928 3472.5563 6177.8543 294.8804 PRESSURE: 551400 0 0 0 0 0 0 0 0 0 GPRESSURE: 551400 0 0 0 0 0 0 0 0 0 PRESSAVG: 551400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 551400 0 0 0 0 0 0 0 0 0 TIMING: 551400 CPU: 2180.68, 0.00394939/step Wall: 2180.68, 0.00394939/step, 2.13772 hours remaining, 112.171875 MB of memory in use. ENERGY: 551400 651.7715 1804.2556 1977.5727 97.3758 3.7511 -1053.6997 0.0000 0.0000 2665.4272 6146.4542 294.4039 3481.0270 6179.5703 294.0459 PRESSURE: 551600 0 0 0 0 0 0 0 0 0 GPRESSURE: 551600 0 0 0 0 0 0 0 0 0 PRESSAVG: 551600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 551600 0 0 0 0 0 0 0 0 0 TIMING: 551600 CPU: 2181.47, 0.00394871/step Wall: 2181.47, 0.00394871/step, 2.13713 hours remaining, 112.171875 MB of memory in use. ENERGY: 551600 649.7726 1803.6569 2022.3979 102.8002 1.8671 -1073.4252 0.0000 0.0000 2683.3978 6190.4672 296.3888 3507.0694 6226.1605 296.2151 PRESSURE: 551800 0 0 0 0 0 0 0 0 0 GPRESSURE: 551800 0 0 0 0 0 0 0 0 0 PRESSAVG: 551800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 551800 0 0 0 0 0 0 0 0 0 TIMING: 551800 CPU: 2182.26, 0.00394799/step Wall: 2182.26, 0.00394799/step, 2.13652 hours remaining, 112.171875 MB of memory in use. ENERGY: 551800 662.4861 1779.8463 2029.4364 108.1036 0.5642 -1057.3673 0.0000 0.0000 2685.9855 6209.0548 296.6746 3523.0693 6241.6629 296.9432 PRESSURE: 552000 0 0 0 0 0 0 0 0 0 GPRESSURE: 552000 0 0 0 0 0 0 0 0 0 PRESSAVG: 552000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 552000 0 0 0 0 0 0 0 0 0 TIMING: 552000 CPU: 2183.05, 0.00394935/step Wall: 2183.05, 0.00394935/step, 2.13704 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 552000 622.4230 1831.0998 2017.9479 109.0820 1.1675 -1093.1369 0.0000 0.0000 2681.6957 6170.2790 296.2008 3488.5833 6204.0802 296.9563 PRESSURE: 552200 0 0 0 0 0 0 0 0 0 GPRESSURE: 552200 0 0 0 0 0 0 0 0 0 PRESSAVG: 552200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 552200 0 0 0 0 0 0 0 0 0 TIMING: 552200 CPU: 2183.84, 0.00394495/step Wall: 2183.84, 0.00394495/step, 2.13444 hours remaining, 112.171875 MB of memory in use. ENERGY: 552200 647.0227 1825.3208 2014.6794 107.7779 0.6177 -1090.4160 0.0000 0.0000 2694.6495 6199.6519 297.6315 3505.0024 6231.3605 296.8671 LDB: ============= START OF LOAD BALANCING ============== 2186.8 LDB: ============== END OF LOAD BALANCING =============== 2186.8 LDB: =============== DONE WITH MIGRATION ================ 2186.8 LDB: ============= START OF LOAD BALANCING ============== 2187.19 LDB: ============== END OF LOAD BALANCING =============== 2187.19 LDB: =============== DONE WITH MIGRATION ================ 2187.19 PRESSURE: 552400 0 0 0 0 0 0 0 0 0 GPRESSURE: 552400 0 0 0 0 0 0 0 0 0 PRESSAVG: 552400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 552400 0 0 0 0 0 0 0 0 0 TIMING: 552400 CPU: 2184.63, 0.0039533/step Wall: 2184.63, 0.0039533/step, 2.13874 hours remaining, 112.171875 MB of memory in use. ENERGY: 552400 680.8863 1792.7093 2040.0752 115.4214 1.4292 -1081.0341 0.0000 0.0000 2680.6328 6230.1200 296.0834 3549.4872 6260.4884 295.9983 PRESSURE: 552600 0 0 0 0 0 0 0 0 0 GPRESSURE: 552600 0 0 0 0 0 0 0 0 0 PRESSAVG: 552600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 552600 0 0 0 0 0 0 0 0 0 TIMING: 552600 CPU: 2185.42, 0.00394912/step Wall: 2185.42, 0.00394912/step, 2.13626 hours remaining, 112.171875 MB of memory in use. ENERGY: 552600 636.0670 1848.0053 1993.7360 108.3998 1.5196 -1086.8347 0.0000 0.0000 2735.1371 6236.0301 302.1035 3500.8929 6268.3091 298.4382 PRESSURE: 552800 0 0 0 0 0 0 0 0 0 GPRESSURE: 552800 0 0 0 0 0 0 0 0 0 PRESSAVG: 552800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 552800 0 0 0 0 0 0 0 0 0 TIMING: 552800 CPU: 2186.21, 0.00394683/step Wall: 2186.21, 0.00394682/step, 2.13479 hours remaining, 112.171875 MB of memory in use. ENERGY: 552800 657.4235 1861.5682 2006.0207 108.7536 0.4807 -1103.9535 0.0000 0.0000 2705.2502 6235.5434 298.8024 3530.2933 6268.2127 299.1940 PRESSURE: 553000 0 0 0 0 0 0 0 0 0 GPRESSURE: 553000 0 0 0 0 0 0 0 0 0 PRESSAVG: 553000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 553000 0 0 0 0 0 0 0 0 0 TIMING: 553000 CPU: 2187, 0.00394578/step Wall: 2187, 0.00394578/step, 2.13401 hours remaining, 112.171875 MB of memory in use. ENERGY: 553000 690.9130 1799.3320 2024.5986 106.0985 2.3750 -1090.0316 0.0000 0.0000 2681.7913 6215.0767 296.2113 3533.2854 6249.0202 299.4072 PRESSURE: 553200 0 0 0 0 0 0 0 0 0 GPRESSURE: 553200 0 0 0 0 0 0 0 0 0 PRESSAVG: 553200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 553200 0 0 0 0 0 0 0 0 0 TIMING: 553200 CPU: 2187.79, 0.00394529/step Wall: 2187.79, 0.00394529/step, 2.13353 hours remaining, 112.171875 MB of memory in use. ENERGY: 553200 643.6728 1835.7473 2012.3347 107.0417 1.5247 -1079.0532 0.0000 0.0000 2713.4135 6234.6814 299.7041 3521.2679 6268.7122 298.3594 PRESSURE: 553400 0 0 0 0 0 0 0 0 0 GPRESSURE: 553400 0 0 0 0 0 0 0 0 0 PRESSAVG: 553400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 553400 0 0 0 0 0 0 0 0 0 TIMING: 553400 CPU: 2188.58, 0.00394547/step Wall: 2188.58, 0.00394547/step, 2.1334 hours remaining, 112.171875 MB of memory in use. ENERGY: 553400 675.0925 1861.5842 1994.9052 100.9038 2.5728 -1062.4131 0.0000 0.0000 2652.5290 6225.1745 292.9792 3572.6455 6254.1032 299.1384 PRESSURE: 553600 0 0 0 0 0 0 0 0 0 GPRESSURE: 553600 0 0 0 0 0 0 0 0 0 PRESSAVG: 553600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 553600 0 0 0 0 0 0 0 0 0 TIMING: 553600 CPU: 2189.36, 0.00394582/step Wall: 2189.36, 0.00394582/step, 2.13337 hours remaining, 112.171875 MB of memory in use. ENERGY: 553600 707.4284 1818.0857 1994.1465 111.0998 0.9400 -1059.1226 0.0000 0.0000 2712.5435 6285.1213 299.6080 3572.5778 6315.5769 299.5966 PRESSURE: 553800 0 0 0 0 0 0 0 0 0 GPRESSURE: 553800 0 0 0 0 0 0 0 0 0 PRESSAVG: 553800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 553800 0 0 0 0 0 0 0 0 0 TIMING: 553800 CPU: 2190.15, 0.00394506/step Wall: 2190.15, 0.00394506/step, 2.13274 hours remaining, 112.171875 MB of memory in use. ENERGY: 553800 662.7210 1801.3466 2019.1411 110.4803 2.0629 -1037.8352 0.0000 0.0000 2698.3127 6256.2294 298.0362 3557.9167 6287.1622 299.9240 PRESSURE: 554000 0 0 0 0 0 0 0 0 0 GPRESSURE: 554000 0 0 0 0 0 0 0 0 0 PRESSAVG: 554000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 554000 0 0 0 0 0 0 0 0 0 TIMING: 554000 CPU: 2190.94, 0.00394377/step Wall: 2190.94, 0.00394377/step, 2.13183 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 554000 652.0438 1838.2792 2009.3291 103.8435 3.2534 -1055.8585 0.0000 0.0000 2702.2141 6253.1046 298.4671 3550.8905 6287.2734 300.7252 PRESSURE: 554200 0 0 0 0 0 0 0 0 0 GPRESSURE: 554200 0 0 0 0 0 0 0 0 0 PRESSAVG: 554200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 554200 0 0 0 0 0 0 0 0 0 TIMING: 554200 CPU: 2191.73, 0.0039477/step Wall: 2191.73, 0.0039477/step, 2.13373 hours remaining, 112.171875 MB of memory in use. ENERGY: 554200 670.3021 1812.6618 2045.9312 112.4081 2.8967 -1074.3132 0.0000 0.0000 2724.8579 6294.7445 300.9681 3569.8866 6329.1669 299.7301 PRESSURE: 554400 0 0 0 0 0 0 0 0 0 GPRESSURE: 554400 0 0 0 0 0 0 0 0 0 PRESSAVG: 554400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 554400 0 0 0 0 0 0 0 0 0 TIMING: 554400 CPU: 2192.52, 0.00394707/step Wall: 2192.52, 0.00394707/step, 2.13317 hours remaining, 112.171875 MB of memory in use. ENERGY: 554400 651.0697 1869.2501 1997.4517 110.0722 3.1710 -1034.9327 0.0000 0.0000 2721.7551 6317.8370 300.6254 3596.0819 6346.9843 303.2691 PRESSURE: 554600 0 0 0 0 0 0 0 0 0 GPRESSURE: 554600 0 0 0 0 0 0 0 0 0 PRESSAVG: 554600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 554600 0 0 0 0 0 0 0 0 0 TIMING: 554600 CPU: 2193.31, 0.00394724/step Wall: 2193.31, 0.00394724/step, 2.13304 hours remaining, 112.171875 MB of memory in use. ENERGY: 554600 657.1807 1858.4935 2021.2355 99.2588 1.0412 -1088.2340 0.0000 0.0000 2795.2704 6344.2460 308.7454 3548.9757 6376.8598 302.8664 PRESSURE: 554800 0 0 0 0 0 0 0 0 0 GPRESSURE: 554800 0 0 0 0 0 0 0 0 0 PRESSAVG: 554800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 554800 0 0 0 0 0 0 0 0 0 TIMING: 554800 CPU: 2194.1, 0.00394601/step Wall: 2194.1, 0.00394601/step, 2.13216 hours remaining, 112.171875 MB of memory in use. ENERGY: 554800 619.4269 1815.2309 2020.2159 108.7978 2.3498 -1073.3598 0.0000 0.0000 2783.7390 6276.4005 307.4717 3492.6615 6310.4272 301.9736 PRESSURE: 555000 0 0 0 0 0 0 0 0 0 GPRESSURE: 555000 0 0 0 0 0 0 0 0 0 PRESSAVG: 555000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 555000 0 0 0 0 0 0 0 0 0 TIMING: 555000 CPU: 2194.89, 0.00394361/step Wall: 2194.89, 0.00394361/step, 2.13065 hours remaining, 112.171875 MB of memory in use. ENERGY: 555000 680.3551 1924.1056 1989.2742 106.5837 1.6269 -1074.1544 0.0000 0.0000 2695.8513 6323.6423 297.7643 3627.7911 6354.9934 301.7603 PRESSURE: 555200 0 0 0 0 0 0 0 0 0 GPRESSURE: 555200 0 0 0 0 0 0 0 0 0 PRESSAVG: 555200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 555200 0 0 0 0 0 0 0 0 0 TIMING: 555200 CPU: 2195.68, 0.00394776/step Wall: 2195.68, 0.00394776/step, 2.13267 hours remaining, 112.171875 MB of memory in use. ENERGY: 555200 688.2846 1851.3892 1995.8758 106.6124 1.2120 -1057.6644 0.0000 0.0000 2750.7012 6336.4107 303.8226 3585.7096 6370.0261 304.4786 PRESSURE: 555400 0 0 0 0 0 0 0 0 0 GPRESSURE: 555400 0 0 0 0 0 0 0 0 0 PRESSAVG: 555400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 555400 0 0 0 0 0 0 0 0 0 TIMING: 555400 CPU: 2196.47, 0.00394557/step Wall: 2196.47, 0.00394557/step, 2.13127 hours remaining, 112.171875 MB of memory in use. ENERGY: 555400 659.6845 1831.8417 2012.6949 106.3597 -0.0007 -1055.9711 0.0000 0.0000 2799.9993 6354.6084 309.2677 3554.6090 6389.4509 304.3190 PRESSURE: 555600 0 0 0 0 0 0 0 0 0 GPRESSURE: 555600 0 0 0 0 0 0 0 0 0 PRESSAVG: 555600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 555600 0 0 0 0 0 0 0 0 0 TIMING: 555600 CPU: 2197.26, 0.0039466/step Wall: 2197.26, 0.0039466/step, 2.1316 hours remaining, 112.171875 MB of memory in use. ENERGY: 555600 649.4057 1838.8445 1995.6850 96.8330 -0.4575 -1021.3229 0.0000 0.0000 2823.7755 6382.7633 311.8939 3558.9878 6418.2898 306.3067 PRESSURE: 555800 0 0 0 0 0 0 0 0 0 GPRESSURE: 555800 0 0 0 0 0 0 0 0 0 PRESSAVG: 555800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 555800 0 0 0 0 0 0 0 0 0 TIMING: 555800 CPU: 2198.05, 0.00394636/step Wall: 2198.05, 0.00394637/step, 2.13126 hours remaining, 112.171875 MB of memory in use. ENERGY: 555800 634.4041 1825.6803 2023.2279 115.6717 0.0173 -1042.4292 0.0000 0.0000 2736.8089 6293.3810 302.2882 3556.5721 6326.1381 303.5791 PRESSURE: 556000 0 0 0 0 0 0 0 0 0 GPRESSURE: 556000 0 0 0 0 0 0 0 0 0 PRESSAVG: 556000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 556000 0 0 0 0 0 0 0 0 0 TIMING: 556000 CPU: 2198.83, 0.00394297/step Wall: 2198.83, 0.00394297/step, 2.12921 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 556000 649.2636 1845.6489 2021.9982 94.3346 0.9134 -1038.6677 0.0000 0.0000 2657.6581 6231.1491 293.5457 3573.4910 6259.5390 300.0797 PRESSURE: 556200 0 0 0 0 0 0 0 0 0 GPRESSURE: 556200 0 0 0 0 0 0 0 0 0 PRESSAVG: 556200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 556200 0 0 0 0 0 0 0 0 0 TIMING: 556200 CPU: 2199.62, 0.00394555/step Wall: 2199.62, 0.00394555/step, 2.13038 hours remaining, 112.171875 MB of memory in use. ENERGY: 556200 660.6888 1841.6074 2021.2060 104.6591 1.3075 -1056.1670 0.0000 0.0000 2666.4504 6239.7523 294.5169 3573.3019 6270.6044 299.3464 LDB: ============= START OF LOAD BALANCING ============== 2202.58 LDB: ============== END OF LOAD BALANCING =============== 2202.58 LDB: =============== DONE WITH MIGRATION ================ 2202.58 LDB: ============= START OF LOAD BALANCING ============== 2202.98 LDB: ============== END OF LOAD BALANCING =============== 2202.98 LDB: =============== DONE WITH MIGRATION ================ 2202.98 PRESSURE: 556400 0 0 0 0 0 0 0 0 0 GPRESSURE: 556400 0 0 0 0 0 0 0 0 0 PRESSAVG: 556400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 556400 0 0 0 0 0 0 0 0 0 TIMING: 556400 CPU: 2200.41, 0.00394952/step Wall: 2200.41, 0.00394952/step, 2.1323 hours remaining, 112.171875 MB of memory in use. ENERGY: 556400 698.9996 1828.1741 2019.1470 92.9090 -0.2478 -1090.0471 0.0000 0.0000 2661.8930 6210.8277 294.0135 3548.9347 6244.3783 298.5496 PRESSURE: 556600 0 0 0 0 0 0 0 0 0 GPRESSURE: 556600 0 0 0 0 0 0 0 0 0 PRESSAVG: 556600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 556600 0 0 0 0 0 0 0 0 0 TIMING: 556600 CPU: 2201.21, 0.00396231/step Wall: 2201.21, 0.00396231/step, 2.13899 hours remaining, 112.171875 MB of memory in use. ENERGY: 556600 651.6409 1826.4815 2013.6624 109.2546 1.3644 -1107.2528 0.0000 0.0000 2716.4314 6211.5823 300.0374 3495.1510 6245.1119 296.5222 PRESSURE: 556800 0 0 0 0 0 0 0 0 0 GPRESSURE: 556800 0 0 0 0 0 0 0 0 0 PRESSAVG: 556800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 556800 0 0 0 0 0 0 0 0 0 TIMING: 556800 CPU: 2202, 0.00394834/step Wall: 2202, 0.00394834/step, 2.13122 hours remaining, 112.171875 MB of memory in use. ENERGY: 556800 660.1971 1879.5278 1990.7401 105.0582 -0.0769 -1070.8305 0.0000 0.0000 2666.8222 6231.4381 294.5579 3564.6159 6262.2098 298.3274 PRESSURE: 557000 0 0 0 0 0 0 0 0 0 GPRESSURE: 557000 0 0 0 0 0 0 0 0 0 PRESSAVG: 557000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 557000 0 0 0 0 0 0 0 0 0 TIMING: 557000 CPU: 2202.79, 0.00394778/step Wall: 2202.79, 0.00394778/step, 2.1307 hours remaining, 112.171875 MB of memory in use. ENERGY: 557000 658.1174 1871.0178 1988.3163 101.2621 -0.0318 -1073.3343 0.0000 0.0000 2621.0554 6166.4028 289.5029 3545.3475 6197.2179 295.4277 PRESSURE: 557200 0 0 0 0 0 0 0 0 0 GPRESSURE: 557200 0 0 0 0 0 0 0 0 0 PRESSAVG: 557200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 557200 0 0 0 0 0 0 0 0 0 TIMING: 557200 CPU: 2203.57, 0.00394647/step Wall: 2203.57, 0.00394647/step, 2.12978 hours remaining, 112.171875 MB of memory in use. ENERGY: 557200 630.7560 1825.9931 1976.2971 104.1278 -0.2056 -1019.9978 0.0000 0.0000 2652.4229 6169.3933 292.9675 3516.9705 6202.6372 295.0099 PRESSURE: 557400 0 0 0 0 0 0 0 0 0 GPRESSURE: 557400 0 0 0 0 0 0 0 0 0 PRESSAVG: 557400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 557400 0 0 0 0 0 0 0 0 0 TIMING: 557400 CPU: 2204.36, 0.00394392/step Wall: 2204.36, 0.00394392/step, 2.12819 hours remaining, 112.171875 MB of memory in use. ENERGY: 557400 661.2783 1830.3786 1980.5486 113.2199 -0.1892 -1080.9057 0.0000 0.0000 2618.2432 6122.5736 289.1923 3504.3304 6152.8287 293.8537 PRESSURE: 557600 0 0 0 0 0 0 0 0 0 GPRESSURE: 557600 0 0 0 0 0 0 0 0 0 PRESSAVG: 557600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 557600 0 0 0 0 0 0 0 0 0 TIMING: 557600 CPU: 2205.15, 0.00394642/step Wall: 2205.15, 0.00394642/step, 2.12931 hours remaining, 112.171875 MB of memory in use. ENERGY: 557600 659.9426 1847.5425 1997.5839 103.1210 0.2635 -1104.1777 0.0000 0.0000 2649.0009 6153.2767 292.5895 3504.2758 6186.3923 293.0744 PRESSURE: 557800 0 0 0 0 0 0 0 0 0 GPRESSURE: 557800 0 0 0 0 0 0 0 0 0 PRESSAVG: 557800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 557800 0 0 0 0 0 0 0 0 0 TIMING: 557800 CPU: 2205.94, 0.00394427/step Wall: 2205.94, 0.00394427/step, 2.12793 hours remaining, 112.171875 MB of memory in use. ENERGY: 557800 642.2140 1831.7650 2008.5107 107.7803 -0.3293 -1060.7470 0.0000 0.0000 2666.1423 6195.3359 294.4828 3529.1936 6225.1194 295.4603 PRESSURE: 558000 0 0 0 0 0 0 0 0 0 GPRESSURE: 558000 0 0 0 0 0 0 0 0 0 PRESSAVG: 558000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 558000 0 0 0 0 0 0 0 0 0 TIMING: 558000 CPU: 2206.73, 0.00394535/step Wall: 2206.73, 0.00394535/step, 2.1283 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 558000 657.7551 1839.6735 2023.9907 114.4543 -0.0369 -1080.5059 0.0000 0.0000 2613.1992 6168.5301 288.6351 3555.3309 6200.5847 295.3500 PRESSURE: 558200 0 0 0 0 0 0 0 0 0 GPRESSURE: 558200 0 0 0 0 0 0 0 0 0 PRESSAVG: 558200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 558200 0 0 0 0 0 0 0 0 0 TIMING: 558200 CPU: 2207.52, 0.00394553/step Wall: 2207.52, 0.00394553/step, 2.12817 hours remaining, 112.171875 MB of memory in use. ENERGY: 558200 635.7295 1837.8961 2011.5021 105.9014 0.3691 -1099.7780 0.0000 0.0000 2669.5578 6161.1780 294.8601 3491.6202 6193.7546 295.2511 PRESSURE: 558400 0 0 0 0 0 0 0 0 0 GPRESSURE: 558400 0 0 0 0 0 0 0 0 0 PRESSAVG: 558400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 558400 0 0 0 0 0 0 0 0 0 TIMING: 558400 CPU: 2208.31, 0.00394455/step Wall: 2208.31, 0.00394455/step, 2.12743 hours remaining, 112.171875 MB of memory in use. ENERGY: 558400 664.4743 1877.2326 2009.7682 92.1155 1.5676 -1110.0419 0.0000 0.0000 2652.8873 6188.0036 293.0188 3535.1163 6219.8396 294.4527 PRESSURE: 558600 0 0 0 0 0 0 0 0 0 GPRESSURE: 558600 0 0 0 0 0 0 0 0 0 PRESSAVG: 558600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 558600 0 0 0 0 0 0 0 0 0 TIMING: 558600 CPU: 2209.1, 0.0039454/step Wall: 2209.1, 0.0039454/step, 2.12767 hours remaining, 112.171875 MB of memory in use. ENERGY: 558600 658.3539 1845.3893 2027.9160 114.5720 -0.4852 -1083.7008 0.0000 0.0000 2665.5334 6227.5787 294.4156 3562.0452 6259.6883 297.8060 PRESSURE: 558800 0 0 0 0 0 0 0 0 0 GPRESSURE: 558800 0 0 0 0 0 0 0 0 0 PRESSAVG: 558800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 558800 0 0 0 0 0 0 0 0 0 TIMING: 558800 CPU: 2209.89, 0.00394332/step Wall: 2209.89, 0.00394332/step, 2.12633 hours remaining, 112.171875 MB of memory in use. ENERGY: 558800 672.6780 1811.9745 2027.5751 123.8573 1.4779 -1086.4429 0.0000 0.0000 2711.3474 6262.4672 299.4759 3551.1198 6293.0491 298.7474 PRESSURE: 559000 0 0 0 0 0 0 0 0 0 GPRESSURE: 559000 0 0 0 0 0 0 0 0 0 PRESSAVG: 559000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 559000 0 0 0 0 0 0 0 0 0 TIMING: 559000 CPU: 2210.68, 0.00394422/step Wall: 2210.68, 0.00394422/step, 2.12659 hours remaining, 112.171875 MB of memory in use. ENERGY: 559000 634.8413 1869.7642 2001.8834 109.5701 0.1908 -1071.3202 0.0000 0.0000 2721.9421 6266.8718 300.6461 3544.9297 6301.5314 301.4339 PRESSURE: 559200 0 0 0 0 0 0 0 0 0 GPRESSURE: 559200 0 0 0 0 0 0 0 0 0 PRESSAVG: 559200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 559200 0 0 0 0 0 0 0 0 0 TIMING: 559200 CPU: 2211.46, 0.00394638/step Wall: 2211.46, 0.00394638/step, 2.12754 hours remaining, 112.171875 MB of memory in use. ENERGY: 559200 665.3988 1816.9201 2007.3731 105.0789 1.7584 -1013.0139 0.0000 0.0000 2707.0710 6290.5865 299.0035 3583.5155 6325.1657 300.9766 PRESSURE: 559400 0 0 0 0 0 0 0 0 0 GPRESSURE: 559400 0 0 0 0 0 0 0 0 0 PRESSAVG: 559400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 559400 0 0 0 0 0 0 0 0 0 TIMING: 559400 CPU: 2212.25, 0.00394532/step Wall: 2212.25, 0.00394532/step, 2.12675 hours remaining, 112.171875 MB of memory in use. ENERGY: 559400 648.5187 1840.1985 2014.2035 110.6928 1.0176 -1050.1851 0.0000 0.0000 2665.9544 6230.4003 294.4621 3564.4459 6263.1537 299.1220 PRESSURE: 559600 0 0 0 0 0 0 0 0 0 GPRESSURE: 559600 0 0 0 0 0 0 0 0 0 PRESSAVG: 559600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 559600 0 0 0 0 0 0 0 0 0 TIMING: 559600 CPU: 2213.04, 0.00394677/step Wall: 2213.04, 0.00394677/step, 2.12731 hours remaining, 112.171875 MB of memory in use. ENERGY: 559600 678.6659 1823.9762 1978.5104 110.0785 0.6094 -1052.8444 0.0000 0.0000 2758.4078 6297.4037 304.6738 3538.9959 6328.6853 300.0219 PRESSURE: 559800 0 0 0 0 0 0 0 0 0 GPRESSURE: 559800 0 0 0 0 0 0 0 0 0 PRESSAVG: 559800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 559800 0 0 0 0 0 0 0 0 0 TIMING: 559800 CPU: 2213.83, 0.00394409/step Wall: 2213.83, 0.00394409/step, 2.12565 hours remaining, 112.171875 MB of memory in use. ENERGY: 559800 714.5429 1897.7025 1970.0169 111.3402 -0.2152 -1083.1765 0.0000 0.0000 2711.4698 6321.6805 299.4894 3610.2107 6351.9042 303.7128 PRESSURE: 560000 0 0 0 0 0 0 0 0 0 GPRESSURE: 560000 0 0 0 0 0 0 0 0 0 PRESSAVG: 560000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 560000 0 0 0 0 0 0 0 0 0 TIMING: 560000 CPU: 2214.62, 0.00394711/step Wall: 2214.62, 0.00394711/step, 2.12706 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 560000 655.9419 1870.1353 2007.7436 116.8084 1.7666 -1039.7451 0.0000 0.0000 2743.1883 6355.8391 302.9928 3612.6508 6389.5629 303.2243 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 560000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 560000 WRITING COORDINATES TO RESTART FILE AT STEP 560000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 560000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 560200 0 0 0 0 0 0 0 0 0 GPRESSURE: 560200 0 0 0 0 0 0 0 0 0 PRESSAVG: 560200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 560200 0 0 0 0 0 0 0 0 0 TIMING: 560200 CPU: 2215.46, 0.00419717/step Wall: 2215.46, 0.00419717/step, 2.26158 hours remaining, 112.171875 MB of memory in use. ENERGY: 560200 670.8502 1837.2618 2000.5192 117.0670 3.0405 -1044.2029 0.0000 0.0000 2734.1761 6318.7120 301.9974 3584.5359 6352.0889 304.4253 LDB: ============= START OF LOAD BALANCING ============== 2218.42 LDB: ============== END OF LOAD BALANCING =============== 2218.42 LDB: =============== DONE WITH MIGRATION ================ 2218.42 LDB: ============= START OF LOAD BALANCING ============== 2218.82 LDB: ============== END OF LOAD BALANCING =============== 2218.82 LDB: =============== DONE WITH MIGRATION ================ 2218.82 PRESSURE: 560400 0 0 0 0 0 0 0 0 0 GPRESSURE: 560400 0 0 0 0 0 0 0 0 0 PRESSAVG: 560400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 560400 0 0 0 0 0 0 0 0 0 TIMING: 560400 CPU: 2216.25, 0.00395153/step Wall: 2216.25, 0.00395153/step, 2.129 hours remaining, 112.171875 MB of memory in use. ENERGY: 560400 681.3617 1868.1063 2037.0080 119.1939 2.4586 -1089.4103 0.0000 0.0000 2735.7461 6354.4642 302.1708 3618.7181 6383.9066 303.8941 PRESSURE: 560600 0 0 0 0 0 0 0 0 0 GPRESSURE: 560600 0 0 0 0 0 0 0 0 0 PRESSAVG: 560600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 560600 0 0 0 0 0 0 0 0 0 TIMING: 560600 CPU: 2217.04, 0.00394734/step Wall: 2217.04, 0.00394733/step, 2.12651 hours remaining, 112.171875 MB of memory in use. ENERGY: 560600 663.2721 1867.8302 2033.2669 109.6328 4.1239 -1086.6694 0.0000 0.0000 2724.6791 6316.1355 300.9484 3591.4564 6350.8473 304.5386 PRESSURE: 560800 0 0 0 0 0 0 0 0 0 GPRESSURE: 560800 0 0 0 0 0 0 0 0 0 PRESSAVG: 560800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 560800 0 0 0 0 0 0 0 0 0 TIMING: 560800 CPU: 2217.83, 0.00394545/step Wall: 2217.83, 0.00394546/step, 2.12529 hours remaining, 112.171875 MB of memory in use. ENERGY: 560800 644.9639 1856.2596 2001.9924 109.8176 2.5342 -1075.9744 0.0000 0.0000 2732.1173 6271.7106 301.7700 3539.5934 6306.3702 300.6163 PRESSURE: 561000 0 0 0 0 0 0 0 0 0 GPRESSURE: 561000 0 0 0 0 0 0 0 0 0 PRESSAVG: 561000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 561000 0 0 0 0 0 0 0 0 0 TIMING: 561000 CPU: 2218.62, 0.0039626/step Wall: 2218.62, 0.0039626/step, 2.1343 hours remaining, 112.171875 MB of memory in use. ENERGY: 561000 680.8583 1860.5485 1967.3052 98.2694 1.9486 -1065.2817 0.0000 0.0000 2727.8698 6271.5181 301.3008 3543.6483 6305.2093 300.0620 PRESSURE: 561200 0 0 0 0 0 0 0 0 0 GPRESSURE: 561200 0 0 0 0 0 0 0 0 0 PRESSAVG: 561200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 561200 0 0 0 0 0 0 0 0 0 TIMING: 561200 CPU: 2219.41, 0.00394989/step Wall: 2219.41, 0.00394989/step, 2.12723 hours remaining, 112.171875 MB of memory in use. ENERGY: 561200 656.1924 1803.1881 1981.7006 110.7887 1.3402 -1050.9465 0.0000 0.0000 2733.9580 6236.2215 301.9733 3502.2635 6269.3532 299.5836 PRESSURE: 561400 0 0 0 0 0 0 0 0 0 GPRESSURE: 561400 0 0 0 0 0 0 0 0 0 PRESSAVG: 561400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 561400 0 0 0 0 0 0 0 0 0 TIMING: 561400 CPU: 2220.2, 0.00394897/step Wall: 2220.2, 0.00394897/step, 2.12652 hours remaining, 112.171875 MB of memory in use. ENERGY: 561400 646.8252 1887.7520 2003.0582 114.5156 0.7627 -1034.5515 0.0000 0.0000 2617.4884 6235.8506 289.1089 3618.3622 6265.1756 298.9628 PRESSURE: 561600 0 0 0 0 0 0 0 0 0 GPRESSURE: 561600 0 0 0 0 0 0 0 0 0 PRESSAVG: 561600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 561600 0 0 0 0 0 0 0 0 0 TIMING: 561600 CPU: 2220.99, 0.00394503/step Wall: 2220.99, 0.00394503/step, 2.12418 hours remaining, 112.171875 MB of memory in use. ENERGY: 561600 668.0982 1839.5987 1992.7526 104.0079 1.1077 -1061.0891 0.0000 0.0000 2667.3195 6211.7954 294.6129 3544.4759 6242.4939 296.4315 PRESSURE: 561800 0 0 0 0 0 0 0 0 0 GPRESSURE: 561800 0 0 0 0 0 0 0 0 0 PRESSAVG: 561800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 561800 0 0 0 0 0 0 0 0 0 TIMING: 561800 CPU: 2221.78, 0.00394974/step Wall: 2221.78, 0.00394974/step, 2.1265 hours remaining, 112.171875 MB of memory in use. ENERGY: 561800 633.1234 1807.4872 1975.8215 109.3822 2.6056 -1063.2932 0.0000 0.0000 2735.6308 6200.7575 302.1580 3465.1267 6237.2636 296.9226 PRESSURE: 562000 0 0 0 0 0 0 0 0 0 GPRESSURE: 562000 0 0 0 0 0 0 0 0 0 PRESSAVG: 562000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 562000 0 0 0 0 0 0 0 0 0 TIMING: 562000 CPU: 2222.57, 0.00394809/step Wall: 2222.57, 0.00394809/step, 2.12539 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 562000 638.6060 1849.7518 2007.9257 113.6527 1.9800 -1079.8296 0.0000 0.0000 2664.4778 6196.5644 294.2990 3532.0866 6229.5383 296.8147 PRESSURE: 562200 0 0 0 0 0 0 0 0 0 GPRESSURE: 562200 0 0 0 0 0 0 0 0 0 PRESSAVG: 562200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 562200 0 0 0 0 0 0 0 0 0 TIMING: 562200 CPU: 2223.36, 0.00395092/step Wall: 2223.36, 0.00395092/step, 2.12669 hours remaining, 112.171875 MB of memory in use. ENERGY: 562200 667.6541 1829.4710 1973.9957 102.2408 0.7456 -1071.6174 0.0000 0.0000 2681.4129 6183.9027 296.1695 3502.4897 6214.6117 296.3051 PRESSURE: 562400 0 0 0 0 0 0 0 0 0 GPRESSURE: 562400 0 0 0 0 0 0 0 0 0 PRESSAVG: 562400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 562400 0 0 0 0 0 0 0 0 0 TIMING: 562400 CPU: 2224.15, 0.00394856/step Wall: 2224.15, 0.00394856/step, 2.1252 hours remaining, 112.171875 MB of memory in use. ENERGY: 562400 649.7220 1855.9384 1990.0944 113.0609 1.4224 -1073.6919 0.0000 0.0000 2623.3270 6159.8731 289.7538 3536.5462 6194.3369 294.6028 PRESSURE: 562600 0 0 0 0 0 0 0 0 0 GPRESSURE: 562600 0 0 0 0 0 0 0 0 0 PRESSAVG: 562600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 562600 0 0 0 0 0 0 0 0 0 TIMING: 562600 CPU: 2224.94, 0.00394524/step Wall: 2224.94, 0.00394524/step, 2.1232 hours remaining, 112.171875 MB of memory in use. ENERGY: 562600 683.6483 1787.8196 2026.7454 123.4596 1.7278 -1071.1735 0.0000 0.0000 2685.7037 6237.9310 296.6435 3552.2273 6271.0729 297.4136 PRESSURE: 562800 0 0 0 0 0 0 0 0 0 GPRESSURE: 562800 0 0 0 0 0 0 0 0 0 PRESSAVG: 562800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 562800 0 0 0 0 0 0 0 0 0 TIMING: 562800 CPU: 2225.73, 0.00395187/step Wall: 2225.73, 0.00395187/step, 2.12654 hours remaining, 112.171875 MB of memory in use. ENERGY: 562800 631.7516 1837.4277 1991.3257 109.4933 0.8737 -1065.1492 0.0000 0.0000 2755.3970 6261.1198 304.3413 3505.7229 6294.4960 299.2202 PRESSURE: 563000 0 0 0 0 0 0 0 0 0 GPRESSURE: 563000 0 0 0 0 0 0 0 0 0 PRESSAVG: 563000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 563000 0 0 0 0 0 0 0 0 0 TIMING: 563000 CPU: 2226.52, 0.00394831/step Wall: 2226.52, 0.00394831/step, 2.12441 hours remaining, 112.171875 MB of memory in use. ENERGY: 563000 691.4937 1799.0225 2018.6086 97.0553 1.8736 -1082.5311 0.0000 0.0000 2697.7592 6223.2818 297.9750 3525.5226 6260.6710 299.9224 PRESSURE: 563200 0 0 0 0 0 0 0 0 0 GPRESSURE: 563200 0 0 0 0 0 0 0 0 0 PRESSAVG: 563200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 563200 0 0 0 0 0 0 0 0 0 TIMING: 563200 CPU: 2227.31, 0.00395151/step Wall: 2227.31, 0.00395151/step, 2.12591 hours remaining, 112.171875 MB of memory in use. ENERGY: 563200 655.8650 1857.3479 2012.1679 105.8078 2.7680 -1075.8994 0.0000 0.0000 2648.6559 6206.7131 292.5514 3558.0572 6238.6964 297.8463 PRESSURE: 563400 0 0 0 0 0 0 0 0 0 GPRESSURE: 563400 0 0 0 0 0 0 0 0 0 PRESSAVG: 563400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 563400 0 0 0 0 0 0 0 0 0 TIMING: 563400 CPU: 2228.1, 0.00395017/step Wall: 2228.1, 0.00395017/step, 2.12497 hours remaining, 112.171875 MB of memory in use. ENERGY: 563400 641.6738 1865.1674 2003.4854 110.4759 1.5086 -1075.9997 0.0000 0.0000 2624.5271 6170.8385 289.8863 3546.3114 6202.1844 295.9704 PRESSURE: 563600 0 0 0 0 0 0 0 0 0 GPRESSURE: 563600 0 0 0 0 0 0 0 0 0 PRESSAVG: 563600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 563600 0 0 0 0 0 0 0 0 0 TIMING: 563600 CPU: 2228.89, 0.00394536/step Wall: 2228.89, 0.00394536/step, 2.12217 hours remaining, 112.171875 MB of memory in use. ENERGY: 563600 635.0184 1778.4177 2028.7372 104.2508 0.4522 -1086.7793 0.0000 0.0000 2698.6384 6158.7354 298.0721 3460.0970 6190.2492 294.2740 PRESSURE: 563800 0 0 0 0 0 0 0 0 0 GPRESSURE: 563800 0 0 0 0 0 0 0 0 0 PRESSAVG: 563800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 563800 0 0 0 0 0 0 0 0 0 TIMING: 563800 CPU: 2229.68, 0.00395058/step Wall: 2229.68, 0.00395058/step, 2.12475 hours remaining, 112.171875 MB of memory in use. ENERGY: 563800 645.9817 1755.0766 2014.6836 102.5474 2.6142 -1065.2387 0.0000 0.0000 2710.8263 6166.4911 299.4183 3455.6648 6199.2855 295.4802 PRESSURE: 564000 0 0 0 0 0 0 0 0 0 GPRESSURE: 564000 0 0 0 0 0 0 0 0 0 PRESSAVG: 564000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 564000 0 0 0 0 0 0 0 0 0 TIMING: 564000 CPU: 2230.47, 0.00394982/step Wall: 2230.47, 0.00394982/step, 2.12413 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 564000 646.6832 1763.7916 1988.9048 96.0699 0.9821 -1057.9323 0.0000 0.0000 2722.1253 6160.6245 300.6663 3438.4992 6192.6486 295.4948 PRESSURE: 564200 0 0 0 0 0 0 0 0 0 GPRESSURE: 564200 0 0 0 0 0 0 0 0 0 PRESSAVG: 564200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 564200 0 0 0 0 0 0 0 0 0 TIMING: 564200 CPU: 2231.26, 0.00395118/step Wall: 2231.26, 0.00395118/step, 2.12464 hours remaining, 112.171875 MB of memory in use. ENERGY: 564200 634.1001 1847.6211 2010.2937 92.2521 -0.3854 -1091.4467 0.0000 0.0000 2681.6352 6174.0701 296.1941 3492.4350 6204.4557 294.5992 LDB: ============= START OF LOAD BALANCING ============== 2234.22 LDB: ============== END OF LOAD BALANCING =============== 2234.22 LDB: =============== DONE WITH MIGRATION ================ 2234.22 LDB: ============= START OF LOAD BALANCING ============== 2234.61 LDB: ============== END OF LOAD BALANCING =============== 2234.61 LDB: =============== DONE WITH MIGRATION ================ 2234.61 PRESSURE: 564400 0 0 0 0 0 0 0 0 0 GPRESSURE: 564400 0 0 0 0 0 0 0 0 0 PRESSAVG: 564400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 564400 0 0 0 0 0 0 0 0 0 TIMING: 564400 CPU: 2232.05, 0.00395544/step Wall: 2232.05, 0.00395543/step, 2.12671 hours remaining, 112.171875 MB of memory in use. ENERGY: 564400 657.0557 1771.4493 2010.5338 113.2292 1.3531 -1072.0783 0.0000 0.0000 2713.1240 6194.6668 299.6721 3481.5428 6230.2473 296.0464 PRESSURE: 564600 0 0 0 0 0 0 0 0 0 GPRESSURE: 564600 0 0 0 0 0 0 0 0 0 PRESSAVG: 564600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 564600 0 0 0 0 0 0 0 0 0 TIMING: 564600 CPU: 2232.84, 0.00394584/step Wall: 2232.84, 0.00394585/step, 2.12133 hours remaining, 112.171875 MB of memory in use. ENERGY: 564600 655.3641 1821.1433 2020.2941 103.5476 0.5579 -1066.5704 0.0000 0.0000 2699.4898 6233.8265 298.1662 3534.3367 6267.0846 297.8152 PRESSURE: 564800 0 0 0 0 0 0 0 0 0 GPRESSURE: 564800 0 0 0 0 0 0 0 0 0 PRESSAVG: 564800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 564800 0 0 0 0 0 0 0 0 0 TIMING: 564800 CPU: 2233.63, 0.00395194/step Wall: 2233.63, 0.00395194/step, 2.12439 hours remaining, 112.171875 MB of memory in use. ENERGY: 564800 677.3365 1797.8948 1994.8776 108.5250 1.2533 -1077.0380 0.0000 0.0000 2787.0839 6289.9331 307.8412 3502.8492 6324.7400 300.0302 PRESSURE: 565000 0 0 0 0 0 0 0 0 0 GPRESSURE: 565000 0 0 0 0 0 0 0 0 0 PRESSAVG: 565000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 565000 0 0 0 0 0 0 0 0 0 TIMING: 565000 CPU: 2234.42, 0.00395015/step Wall: 2234.42, 0.00395015/step, 2.1232 hours remaining, 112.171875 MB of memory in use. ENERGY: 565000 689.0180 1865.7933 2003.8787 110.7136 2.0980 -1070.6455 0.0000 0.0000 2746.7674 6347.6235 303.3881 3600.8561 6379.6679 303.0858 PRESSURE: 565200 0 0 0 0 0 0 0 0 0 GPRESSURE: 565200 0 0 0 0 0 0 0 0 0 PRESSAVG: 565200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 565200 0 0 0 0 0 0 0 0 0 TIMING: 565200 CPU: 2235.21, 0.00395174/step Wall: 2235.21, 0.00395174/step, 2.12384 hours remaining, 112.171875 MB of memory in use. ENERGY: 565200 626.7132 1848.0225 1997.6981 101.4576 0.0613 -1054.5214 0.0000 0.0000 2745.4630 6264.8943 303.2440 3519.4312 6301.3910 301.9638 PRESSURE: 565400 0 0 0 0 0 0 0 0 0 GPRESSURE: 565400 0 0 0 0 0 0 0 0 0 PRESSAVG: 565400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 565400 0 0 0 0 0 0 0 0 0 TIMING: 565400 CPU: 2236, 0.00394616/step Wall: 2236, 0.00394616/step, 2.12063 hours remaining, 112.171875 MB of memory in use. ENERGY: 565400 665.5802 1819.6743 2026.6324 102.6155 0.7072 -1075.3222 0.0000 0.0000 2720.6250 6260.5122 300.5006 3539.8873 6294.7093 301.4309 PRESSURE: 565600 0 0 0 0 0 0 0 0 0 GPRESSURE: 565600 0 0 0 0 0 0 0 0 0 PRESSAVG: 565600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 565600 0 0 0 0 0 0 0 0 0 TIMING: 565600 CPU: 2236.79, 0.00394991/step Wall: 2236.79, 0.00394991/step, 2.12242 hours remaining, 112.171875 MB of memory in use. ENERGY: 565600 693.8376 1792.6661 1999.2612 115.1686 0.9455 -1106.5869 0.0000 0.0000 2759.7142 6255.0063 304.8181 3495.2921 6291.9394 299.6598 PRESSURE: 565800 0 0 0 0 0 0 0 0 0 GPRESSURE: 565800 0 0 0 0 0 0 0 0 0 PRESSAVG: 565800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 565800 0 0 0 0 0 0 0 0 0 TIMING: 565800 CPU: 2237.58, 0.00395042/step Wall: 2237.58, 0.00395042/step, 2.12247 hours remaining, 112.171875 MB of memory in use. ENERGY: 565800 637.7311 1858.6315 2023.0398 112.4452 1.1231 -1073.7542 0.0000 0.0000 2730.9941 6290.2106 301.6459 3559.2166 6323.0738 300.8216 PRESSURE: 566000 0 0 0 0 0 0 0 0 0 GPRESSURE: 566000 0 0 0 0 0 0 0 0 0 PRESSAVG: 566000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 566000 0 0 0 0 0 0 0 0 0 TIMING: 566000 CPU: 2238.37, 0.00395026/step Wall: 2238.37, 0.00395026/step, 2.12217 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 566000 663.2630 1884.4721 2004.9596 110.2372 1.2140 -1091.5818 0.0000 0.0000 2693.0195 6265.5836 297.4515 3572.5641 6297.1812 302.2130 PRESSURE: 566200 0 0 0 0 0 0 0 0 0 GPRESSURE: 566200 0 0 0 0 0 0 0 0 0 PRESSAVG: 566200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 566200 0 0 0 0 0 0 0 0 0 TIMING: 566200 CPU: 2239.16, 0.00395065/step Wall: 2239.16, 0.00395065/step, 2.12216 hours remaining, 112.171875 MB of memory in use. ENERGY: 566200 648.3899 1899.0138 2013.0176 101.6097 1.9572 -1105.0393 0.0000 0.0000 2710.7409 6269.6898 299.4089 3558.9490 6302.5814 301.2487 PRESSURE: 566400 0 0 0 0 0 0 0 0 0 GPRESSURE: 566400 0 0 0 0 0 0 0 0 0 PRESSAVG: 566400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 566400 0 0 0 0 0 0 0 0 0 TIMING: 566400 CPU: 2239.95, 0.00394576/step Wall: 2239.95, 0.00394576/step, 2.11931 hours remaining, 112.171875 MB of memory in use. ENERGY: 566400 680.3876 1846.3534 1988.4061 107.0333 0.6508 -1112.4987 0.0000 0.0000 2753.8085 6264.1410 304.1658 3510.3325 6301.8816 300.4263 PRESSURE: 566600 0 0 0 0 0 0 0 0 0 GPRESSURE: 566600 0 0 0 0 0 0 0 0 0 PRESSAVG: 566600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 566600 0 0 0 0 0 0 0 0 0 TIMING: 566600 CPU: 2240.74, 0.00395172/step Wall: 2240.74, 0.00395172/step, 2.12229 hours remaining, 112.171875 MB of memory in use. ENERGY: 566600 633.4351 1812.3913 2003.3696 103.1990 0.3547 -1083.3396 0.0000 0.0000 2713.7535 6183.1636 299.7416 3469.4100 6217.3386 299.7681 PRESSURE: 566800 0 0 0 0 0 0 0 0 0 GPRESSURE: 566800 0 0 0 0 0 0 0 0 0 PRESSAVG: 566800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 566800 0 0 0 0 0 0 0 0 0 TIMING: 566800 CPU: 2241.53, 0.0039517/step Wall: 2241.53, 0.0039517/step, 2.12206 hours remaining, 112.171875 MB of memory in use. ENERGY: 566800 648.6630 1802.1549 1988.8930 107.0832 0.0662 -1059.6311 0.0000 0.0000 2716.5721 6203.8012 300.0530 3487.2292 6237.2877 296.9734 PRESSURE: 567000 0 0 0 0 0 0 0 0 0 GPRESSURE: 567000 0 0 0 0 0 0 0 0 0 PRESSAVG: 567000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 567000 0 0 0 0 0 0 0 0 0 TIMING: 567000 CPU: 2242.32, 0.00394941/step Wall: 2242.32, 0.00394941/step, 2.12061 hours remaining, 112.171875 MB of memory in use. ENERGY: 567000 666.9024 1779.9633 2001.1440 104.1381 0.1594 -1067.8640 0.0000 0.0000 2703.6343 6188.0775 298.6239 3484.4432 6219.4607 297.1852 PRESSURE: 567200 0 0 0 0 0 0 0 0 0 GPRESSURE: 567200 0 0 0 0 0 0 0 0 0 PRESSAVG: 567200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 567200 0 0 0 0 0 0 0 0 0 TIMING: 567200 CPU: 2243.11, 0.00394875/step Wall: 2243.11, 0.00394875/step, 2.12004 hours remaining, 112.171875 MB of memory in use. ENERGY: 567200 630.9704 1844.4744 1986.0192 106.6529 0.1781 -1064.4166 0.0000 0.0000 2675.3908 6179.2693 295.5044 3503.8784 6211.0478 295.7142 PRESSURE: 567400 0 0 0 0 0 0 0 0 0 GPRESSURE: 567400 0 0 0 0 0 0 0 0 0 PRESSAVG: 567400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 567400 0 0 0 0 0 0 0 0 0 TIMING: 567400 CPU: 2243.9, 0.00394387/step Wall: 2243.9, 0.00394387/step, 2.1172 hours remaining, 112.171875 MB of memory in use. ENERGY: 567400 682.7258 1741.8963 1982.4289 108.2346 0.7308 -1055.2770 0.0000 0.0000 2691.6486 6152.3880 297.3001 3460.7394 6185.6758 296.4461 PRESSURE: 567600 0 0 0 0 0 0 0 0 0 GPRESSURE: 567600 0 0 0 0 0 0 0 0 0 PRESSAVG: 567600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 567600 0 0 0 0 0 0 0 0 0 TIMING: 567600 CPU: 2244.69, 0.0039498/step Wall: 2244.69, 0.0039498/step, 2.12016 hours remaining, 112.171875 MB of memory in use. ENERGY: 567600 625.6324 1762.1060 1970.5434 107.2173 -0.0552 -1030.3912 0.0000 0.0000 2727.9913 6163.0439 301.3142 3435.0527 6199.5317 294.4889 PRESSURE: 567800 0 0 0 0 0 0 0 0 0 GPRESSURE: 567800 0 0 0 0 0 0 0 0 0 PRESSAVG: 567800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 567800 0 0 0 0 0 0 0 0 0 TIMING: 567800 CPU: 2245.48, 0.00394713/step Wall: 2245.48, 0.00394713/step, 2.11851 hours remaining, 112.171875 MB of memory in use. ENERGY: 567800 674.1543 1845.3853 2043.9820 102.4138 0.3030 -1100.9628 0.0000 0.0000 2634.8738 6200.1493 291.0291 3565.2755 6230.9433 294.9679 PRESSURE: 568000 0 0 0 0 0 0 0 0 0 GPRESSURE: 568000 0 0 0 0 0 0 0 0 0 PRESSAVG: 568000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 568000 0 0 0 0 0 0 0 0 0 TIMING: 568000 CPU: 2246.27, 0.00394763/step Wall: 2246.27, 0.00394763/step, 2.11856 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 568000 662.6510 1860.3274 1989.9484 102.8072 1.7591 -1072.5108 0.0000 0.0000 2741.8777 6286.8601 302.8480 3544.9824 6318.2993 299.7892 PRESSURE: 568200 0 0 0 0 0 0 0 0 0 GPRESSURE: 568200 0 0 0 0 0 0 0 0 0 PRESSAVG: 568200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 568200 0 0 0 0 0 0 0 0 0 TIMING: 568200 CPU: 2247.06, 0.00394544/step Wall: 2247.06, 0.00394544/step, 2.11717 hours remaining, 112.171875 MB of memory in use. ENERGY: 568200 689.9682 1837.3116 2002.4460 109.4973 2.5164 -1085.7154 0.0000 0.0000 2742.2196 6298.2437 302.8858 3556.0242 6332.4498 300.9542 LDB: ============= START OF LOAD BALANCING ============== 2250.02 LDB: ============== END OF LOAD BALANCING =============== 2250.02 LDB: =============== DONE WITH MIGRATION ================ 2250.02 LDB: ============= START OF LOAD BALANCING ============== 2250.41 LDB: ============== END OF LOAD BALANCING =============== 2250.41 LDB: =============== DONE WITH MIGRATION ================ 2250.41 PRESSURE: 568400 0 0 0 0 0 0 0 0 0 GPRESSURE: 568400 0 0 0 0 0 0 0 0 0 PRESSAVG: 568400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 568400 0 0 0 0 0 0 0 0 0 TIMING: 568400 CPU: 2247.85, 0.00395056/step Wall: 2247.85, 0.00395056/step, 2.1197 hours remaining, 112.171875 MB of memory in use. ENERGY: 568400 632.5334 1828.3911 1995.6611 109.8239 2.3220 -1025.7143 0.0000 0.0000 2781.2423 6324.2595 307.1960 3543.0173 6359.4707 301.2533 PRESSURE: 568600 0 0 0 0 0 0 0 0 0 GPRESSURE: 568600 0 0 0 0 0 0 0 0 0 PRESSAVG: 568600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 568600 0 0 0 0 0 0 0 0 0 TIMING: 568600 CPU: 2248.64, 0.00394563/step Wall: 2248.64, 0.00394563/step, 2.11683 hours remaining, 112.171875 MB of memory in use. ENERGY: 568600 638.1837 1915.2043 1972.5493 101.4057 2.4434 -1019.5371 0.0000 0.0000 2735.6346 6345.8839 302.1585 3610.2493 6378.2986 303.5197 PRESSURE: 568800 0 0 0 0 0 0 0 0 0 GPRESSURE: 568800 0 0 0 0 0 0 0 0 0 PRESSAVG: 568800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 568800 0 0 0 0 0 0 0 0 0 TIMING: 568800 CPU: 2249.42, 0.00394698/step Wall: 2249.42, 0.00394698/step, 2.11733 hours remaining, 112.171875 MB of memory in use. ENERGY: 568800 641.1019 1903.7467 1969.7656 116.9420 2.3361 -1043.1912 0.0000 0.0000 2771.3398 6362.0410 306.1022 3590.7012 6397.2194 304.5224 PRESSURE: 569000 0 0 0 0 0 0 0 0 0 GPRESSURE: 569000 0 0 0 0 0 0 0 0 0 PRESSAVG: 569000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 569000 0 0 0 0 0 0 0 0 0 TIMING: 569000 CPU: 2250.21, 0.00394781/step Wall: 2250.21, 0.00394781/step, 2.11756 hours remaining, 112.171875 MB of memory in use. ENERGY: 569000 643.0335 1915.9885 2010.2552 109.3750 1.0773 -1056.0437 0.0000 0.0000 2722.9153 6346.6012 300.7536 3623.6859 6378.8809 305.7685 PRESSURE: 569200 0 0 0 0 0 0 0 0 0 GPRESSURE: 569200 0 0 0 0 0 0 0 0 0 PRESSAVG: 569200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 569200 0 0 0 0 0 0 0 0 0 TIMING: 569200 CPU: 2251, 0.00394341/step Wall: 2251, 0.00394341/step, 2.11498 hours remaining, 112.171875 MB of memory in use. ENERGY: 569200 647.7998 1907.2955 2026.9332 112.1103 0.7752 -1070.4888 0.0000 0.0000 2691.2299 6315.6551 297.2538 3624.4252 6346.1891 304.1855 PRESSURE: 569400 0 0 0 0 0 0 0 0 0 GPRESSURE: 569400 0 0 0 0 0 0 0 0 0 PRESSAVG: 569400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 569400 0 0 0 0 0 0 0 0 0 TIMING: 569400 CPU: 2251.79, 0.00394902/step Wall: 2251.79, 0.00394902/step, 2.11777 hours remaining, 112.171875 MB of memory in use. ENERGY: 569400 642.5234 1904.3974 2024.9596 106.0257 2.2114 -1095.5590 0.0000 0.0000 2755.8255 6340.3841 304.3886 3584.5586 6374.2541 305.9745 PRESSURE: 569600 0 0 0 0 0 0 0 0 0 GPRESSURE: 569600 0 0 0 0 0 0 0 0 0 PRESSAVG: 569600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 569600 0 0 0 0 0 0 0 0 0 TIMING: 569600 CPU: 2252.58, 0.0039475/step Wall: 2252.58, 0.0039475/step, 2.11674 hours remaining, 112.171875 MB of memory in use. ENERGY: 569600 694.8833 1840.8620 2007.8659 122.4628 0.7383 -1113.4037 0.0000 0.0000 2816.3731 6369.7818 311.0763 3553.4087 6403.5733 305.2560 PRESSURE: 569800 0 0 0 0 0 0 0 0 0 GPRESSURE: 569800 0 0 0 0 0 0 0 0 0 PRESSAVG: 569800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 569800 0 0 0 0 0 0 0 0 0 TIMING: 569800 CPU: 2253.37, 0.00394838/step Wall: 2253.37, 0.00394838/step, 2.11699 hours remaining, 112.171875 MB of memory in use. ENERGY: 569800 664.5579 1886.7511 1975.5610 107.2222 0.7903 -1040.2727 0.0000 0.0000 2764.5302 6359.1400 305.3501 3594.6098 6392.3449 306.1704 PRESSURE: 570000 0 0 0 0 0 0 0 0 0 GPRESSURE: 570000 0 0 0 0 0 0 0 0 0 PRESSAVG: 570000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 570000 0 0 0 0 0 0 0 0 0 TIMING: 570000 CPU: 2254.16, 0.00395015/step Wall: 2254.16, 0.00395015/step, 2.11772 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 570000 661.5987 1849.3619 2022.3734 124.4693 0.9751 -1078.1764 0.0000 0.0000 2759.9586 6340.5605 304.8451 3580.6019 6377.7262 306.4441 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 570000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 570000 WRITING COORDINATES TO RESTART FILE AT STEP 570000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 570000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 570200 0 0 0 0 0 0 0 0 0 GPRESSURE: 570200 0 0 0 0 0 0 0 0 0 PRESSAVG: 570200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 570200 0 0 0 0 0 0 0 0 0 TIMING: 570200 CPU: 2254.99, 0.00413061/step Wall: 2254.99, 0.00413061/step, 2.21423 hours remaining, 112.171875 MB of memory in use. ENERGY: 570200 649.4823 1875.4546 2017.4883 121.3871 0.9087 -1047.6908 0.0000 0.0000 2717.4919 6334.5221 300.1546 3617.0302 6368.5041 302.9580 PRESSURE: 570400 0 0 0 0 0 0 0 0 0 GPRESSURE: 570400 0 0 0 0 0 0 0 0 0 PRESSAVG: 570400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 570400 0 0 0 0 0 0 0 0 0 TIMING: 570400 CPU: 2255.78, 0.0039493/step Wall: 2255.78, 0.0039493/step, 2.11682 hours remaining, 112.171875 MB of memory in use. ENERGY: 570400 655.4249 1897.8027 1990.6786 112.7661 0.5017 -1063.1853 0.0000 0.0000 2691.3816 6285.3702 297.2706 3593.9886 6319.8606 302.1173 PRESSURE: 570600 0 0 0 0 0 0 0 0 0 GPRESSURE: 570600 0 0 0 0 0 0 0 0 0 PRESSAVG: 570600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 570600 0 0 0 0 0 0 0 0 0 TIMING: 570600 CPU: 2256.57, 0.00394995/step Wall: 2256.57, 0.00394994/step, 2.11695 hours remaining, 112.171875 MB of memory in use. ENERGY: 570600 647.0704 1856.3570 2021.5271 103.2477 1.1016 -1041.5230 0.0000 0.0000 2698.5339 6286.3147 298.0606 3587.7808 6318.9222 302.3959 PRESSURE: 570800 0 0 0 0 0 0 0 0 0 GPRESSURE: 570800 0 0 0 0 0 0 0 0 0 PRESSAVG: 570800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 570800 0 0 0 0 0 0 0 0 0 TIMING: 570800 CPU: 2257.36, 0.00395125/step Wall: 2257.36, 0.00395125/step, 2.11743 hours remaining, 112.171875 MB of memory in use. ENERGY: 570800 671.4790 1841.0042 1995.4204 111.0331 2.0770 -1064.3003 0.0000 0.0000 2706.7471 6263.4606 298.9678 3556.7135 6295.7315 301.2314 PRESSURE: 571000 0 0 0 0 0 0 0 0 0 GPRESSURE: 571000 0 0 0 0 0 0 0 0 0 PRESSAVG: 571000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 571000 0 0 0 0 0 0 0 0 0 TIMING: 571000 CPU: 2258.15, 0.00395776/step Wall: 2258.15, 0.00395776/step, 2.1207 hours remaining, 112.171875 MB of memory in use. ENERGY: 571000 669.0706 1846.3571 1988.8799 101.3177 1.1612 -1060.6044 0.0000 0.0000 2728.6719 6274.8539 301.3894 3546.1821 6307.8049 300.8651 PRESSURE: 571200 0 0 0 0 0 0 0 0 0 GPRESSURE: 571200 0 0 0 0 0 0 0 0 0 PRESSAVG: 571200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 571200 0 0 0 0 0 0 0 0 0 TIMING: 571200 CPU: 2258.94, 0.00394193/step Wall: 2258.94, 0.00394193/step, 2.112 hours remaining, 112.171875 MB of memory in use. ENERGY: 571200 669.3118 1892.3164 1998.2141 101.1457 0.1799 -1147.2953 0.0000 0.0000 2777.6265 6291.4990 306.7966 3513.8726 6325.0214 302.7156 PRESSURE: 571400 0 0 0 0 0 0 0 0 0 GPRESSURE: 571400 0 0 0 0 0 0 0 0 0 PRESSAVG: 571400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 571400 0 0 0 0 0 0 0 0 0 TIMING: 571400 CPU: 2259.73, 0.00394383/step Wall: 2259.73, 0.00394383/step, 2.1128 hours remaining, 112.171875 MB of memory in use. ENERGY: 571400 649.0013 1807.5471 2028.5141 105.1828 0.7339 -1056.8877 0.0000 0.0000 2732.5374 6266.6290 301.8164 3534.0916 6302.1670 301.6247 PRESSURE: 571600 0 0 0 0 0 0 0 0 0 GPRESSURE: 571600 0 0 0 0 0 0 0 0 0 PRESSAVG: 571600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 571600 0 0 0 0 0 0 0 0 0 TIMING: 571600 CPU: 2260.52, 0.00394323/step Wall: 2260.52, 0.00394323/step, 2.11225 hours remaining, 112.171875 MB of memory in use. ENERGY: 571600 655.8095 1851.8085 1980.9190 129.0569 -0.1479 -1083.2145 0.0000 0.0000 2687.9970 6222.2285 296.8968 3534.2315 6253.3463 300.3337 PRESSURE: 571800 0 0 0 0 0 0 0 0 0 GPRESSURE: 571800 0 0 0 0 0 0 0 0 0 PRESSAVG: 571800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 571800 0 0 0 0 0 0 0 0 0 TIMING: 571800 CPU: 2261.31, 0.00396393/step Wall: 2261.31, 0.00396393/step, 2.12312 hours remaining, 112.171875 MB of memory in use. ENERGY: 571800 668.5296 1834.8658 2005.6415 105.5065 1.1001 -1087.6685 0.0000 0.0000 2695.7916 6223.7667 297.7577 3527.9751 6257.4074 300.4905 PRESSURE: 572000 0 0 0 0 0 0 0 0 0 GPRESSURE: 572000 0 0 0 0 0 0 0 0 0 PRESSAVG: 572000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 572000 0 0 0 0 0 0 0 0 0 TIMING: 572000 CPU: 2262.1, 0.00394902/step Wall: 2262.1, 0.00394902/step, 2.11492 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 572000 635.7890 1788.4207 1982.6039 118.6859 1.1592 -1101.9557 0.0000 0.0000 2764.8784 6189.5814 305.3885 3424.7030 6224.7701 298.4468 PRESSURE: 572200 0 0 0 0 0 0 0 0 0 GPRESSURE: 572200 0 0 0 0 0 0 0 0 0 PRESSAVG: 572200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 572200 0 0 0 0 0 0 0 0 0 TIMING: 572200 CPU: 2262.89, 0.00395039/step Wall: 2262.89, 0.00395039/step, 2.11543 hours remaining, 112.171875 MB of memory in use. ENERGY: 572200 661.6812 1851.5314 2007.3292 118.8156 1.3437 -1098.6028 0.0000 0.0000 2716.4014 6258.4997 300.0341 3542.0983 6292.5226 299.5560 LDB: ============= START OF LOAD BALANCING ============== 2265.85 LDB: ============== END OF LOAD BALANCING =============== 2265.85 LDB: =============== DONE WITH MIGRATION ================ 2265.85 LDB: ============= START OF LOAD BALANCING ============== 2266.24 LDB: ============== END OF LOAD BALANCING =============== 2266.24 LDB: =============== DONE WITH MIGRATION ================ 2266.24 PRESSURE: 572400 0 0 0 0 0 0 0 0 0 GPRESSURE: 572400 0 0 0 0 0 0 0 0 0 PRESSAVG: 572400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 572400 0 0 0 0 0 0 0 0 0 TIMING: 572400 CPU: 2263.68, 0.00395462/step Wall: 2263.68, 0.00395462/step, 2.11748 hours remaining, 112.171875 MB of memory in use. ENERGY: 572400 663.4127 1845.6833 1977.4854 109.9024 0.6576 -1087.9742 0.0000 0.0000 2729.3600 6238.5273 301.4654 3509.1673 6271.3244 300.6876 PRESSURE: 572600 0 0 0 0 0 0 0 0 0 GPRESSURE: 572600 0 0 0 0 0 0 0 0 0 PRESSAVG: 572600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 572600 0 0 0 0 0 0 0 0 0 TIMING: 572600 CPU: 2264.47, 0.00396142/step Wall: 2264.47, 0.00396142/step, 2.1209 hours remaining, 112.171875 MB of memory in use. ENERGY: 572600 657.3034 1850.6594 1989.9519 128.2240 -0.2384 -1046.6865 0.0000 0.0000 2663.4512 6242.6650 294.1856 3579.2138 6274.5802 300.6699 PRESSURE: 572800 0 0 0 0 0 0 0 0 0 GPRESSURE: 572800 0 0 0 0 0 0 0 0 0 PRESSAVG: 572800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 572800 0 0 0 0 0 0 0 0 0 TIMING: 572800 CPU: 2265.26, 0.00395625/step Wall: 2265.26, 0.00395625/step, 2.11791 hours remaining, 112.171875 MB of memory in use. ENERGY: 572800 641.5374 1801.0527 1985.7016 103.7306 0.0143 -1086.4478 0.0000 0.0000 2750.3893 6195.9781 303.7882 3445.5888 6231.5685 298.8463 PRESSURE: 573000 0 0 0 0 0 0 0 0 0 GPRESSURE: 573000 0 0 0 0 0 0 0 0 0 PRESSAVG: 573000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 573000 0 0 0 0 0 0 0 0 0 TIMING: 573000 CPU: 2266.05, 0.00394878/step Wall: 2266.05, 0.00394878/step, 2.11369 hours remaining, 112.171875 MB of memory in use. ENERGY: 573000 667.6419 1836.0069 2004.1586 105.2962 0.6014 -1087.3777 0.0000 0.0000 2690.2842 6216.6115 297.1494 3526.3272 6248.7083 298.3289 PRESSURE: 573200 0 0 0 0 0 0 0 0 0 GPRESSURE: 573200 0 0 0 0 0 0 0 0 0 PRESSAVG: 573200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 573200 0 0 0 0 0 0 0 0 0 TIMING: 573200 CPU: 2266.84, 0.00394674/step Wall: 2266.84, 0.00394674/step, 2.11238 hours remaining, 112.171875 MB of memory in use. ENERGY: 573200 644.6082 1840.9953 1999.0248 111.4203 0.3383 -1061.0904 0.0000 0.0000 2694.3093 6229.6057 297.5940 3535.2965 6262.2321 297.6132 PRESSURE: 573400 0 0 0 0 0 0 0 0 0 GPRESSURE: 573400 0 0 0 0 0 0 0 0 0 PRESSAVG: 573400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 573400 0 0 0 0 0 0 0 0 0 TIMING: 573400 CPU: 2267.63, 0.00394889/step Wall: 2267.63, 0.00394889/step, 2.11332 hours remaining, 112.171875 MB of memory in use. ENERGY: 573400 656.9929 1842.4086 1999.2168 113.9675 -0.2232 -1046.1887 0.0000 0.0000 2675.9908 6242.1647 295.5706 3566.1738 6276.3584 299.1249 PRESSURE: 573600 0 0 0 0 0 0 0 0 0 GPRESSURE: 573600 0 0 0 0 0 0 0 0 0 PRESSAVG: 573600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 573600 0 0 0 0 0 0 0 0 0 TIMING: 573600 CPU: 2268.42, 0.00394704/step Wall: 2268.42, 0.00394704/step, 2.1121 hours remaining, 112.171875 MB of memory in use. ENERGY: 573600 644.2741 1821.6451 2007.5094 105.6751 -0.1306 -1056.9791 0.0000 0.0000 2669.9128 6191.9067 294.8993 3521.9939 6225.7130 298.1865 PRESSURE: 573800 0 0 0 0 0 0 0 0 0 GPRESSURE: 573800 0 0 0 0 0 0 0 0 0 PRESSAVG: 573800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 573800 0 0 0 0 0 0 0 0 0 TIMING: 573800 CPU: 2269.21, 0.00394783/step Wall: 2269.21, 0.00394783/step, 2.11231 hours remaining, 112.171875 MB of memory in use. ENERGY: 573800 671.0184 1826.4381 1991.1434 104.1173 0.4856 -1066.5091 0.0000 0.0000 2679.8624 6206.5562 295.9983 3526.6938 6236.2123 296.8283 PRESSURE: 574000 0 0 0 0 0 0 0 0 0 GPRESSURE: 574000 0 0 0 0 0 0 0 0 0 PRESSAVG: 574000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 574000 0 0 0 0 0 0 0 0 0 TIMING: 574000 CPU: 2270, 0.00394419/step Wall: 2270, 0.00394419/step, 2.11014 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 574000 662.4286 1749.6179 2000.5924 105.3095 -0.1402 -1053.9663 0.0000 0.0000 2747.7642 6211.6060 303.4982 3463.8419 6246.8232 299.2422 PRESSURE: 574200 0 0 0 0 0 0 0 0 0 GPRESSURE: 574200 0 0 0 0 0 0 0 0 0 PRESSAVG: 574200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 574200 0 0 0 0 0 0 0 0 0 TIMING: 574200 CPU: 2270.79, 0.00394794/step Wall: 2270.79, 0.00394794/step, 2.11193 hours remaining, 112.171875 MB of memory in use. ENERGY: 574200 674.1527 1787.1541 2012.4491 104.2547 -0.3550 -1061.0508 0.0000 0.0000 2695.6058 6212.2105 297.7372 3516.6047 6243.0204 297.2271 PRESSURE: 574400 0 0 0 0 0 0 0 0 0 GPRESSURE: 574400 0 0 0 0 0 0 0 0 0 PRESSAVG: 574400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 574400 0 0 0 0 0 0 0 0 0 TIMING: 574400 CPU: 2271.58, 0.0039475/step Wall: 2271.58, 0.0039475/step, 2.11147 hours remaining, 112.171875 MB of memory in use. ENERGY: 574400 613.4074 1871.6469 1999.2084 102.3272 1.4054 -1079.9536 0.0000 0.0000 2745.9293 6253.9710 303.2955 3508.0417 6289.6746 298.7776 PRESSURE: 574600 0 0 0 0 0 0 0 0 0 GPRESSURE: 574600 0 0 0 0 0 0 0 0 0 PRESSAVG: 574600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 574600 0 0 0 0 0 0 0 0 0 TIMING: 574600 CPU: 2272.37, 0.00394692/step Wall: 2272.37, 0.00394691/step, 2.11094 hours remaining, 112.171875 MB of memory in use. ENERGY: 574600 672.4165 1841.9183 2010.1330 118.5734 -0.4522 -1077.3932 0.0000 0.0000 2720.6350 6285.8308 300.5017 3565.1958 6317.6502 300.3475 PRESSURE: 574800 0 0 0 0 0 0 0 0 0 GPRESSURE: 574800 0 0 0 0 0 0 0 0 0 PRESSAVG: 574800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 574800 0 0 0 0 0 0 0 0 0 TIMING: 574800 CPU: 2273.16, 0.00394805/step Wall: 2273.16, 0.00394805/step, 2.11133 hours remaining, 112.171875 MB of memory in use. ENERGY: 574800 662.1296 1879.5363 2007.4972 109.7135 -0.8244 -1088.2388 0.0000 0.0000 2750.1114 6319.9249 303.7575 3569.8134 6351.2964 302.5930 PRESSURE: 575000 0 0 0 0 0 0 0 0 0 GPRESSURE: 575000 0 0 0 0 0 0 0 0 0 PRESSAVG: 575000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 575000 0 0 0 0 0 0 0 0 0 TIMING: 575000 CPU: 2273.95, 0.00394289/step Wall: 2273.95, 0.00394289/step, 2.10835 hours remaining, 112.171875 MB of memory in use. ENERGY: 575000 672.0683 1848.7657 1992.4033 99.9356 1.6128 -1036.9451 0.0000 0.0000 2717.7821 6295.6225 300.1866 3577.8404 6330.9634 302.3342 PRESSURE: 575200 0 0 0 0 0 0 0 0 0 GPRESSURE: 575200 0 0 0 0 0 0 0 0 0 PRESSAVG: 575200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 575200 0 0 0 0 0 0 0 0 0 TIMING: 575200 CPU: 2274.74, 0.00394696/step Wall: 2274.74, 0.00394696/step, 2.11031 hours remaining, 112.171875 MB of memory in use. ENERGY: 575200 669.1121 1882.9151 1993.6509 119.8649 0.5930 -1084.1552 0.0000 0.0000 2730.0738 6312.0546 301.5443 3581.9809 6344.3911 302.9280 PRESSURE: 575400 0 0 0 0 0 0 0 0 0 GPRESSURE: 575400 0 0 0 0 0 0 0 0 0 PRESSAVG: 575400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 575400 0 0 0 0 0 0 0 0 0 TIMING: 575400 CPU: 2275.52, 0.00394684/step Wall: 2275.52, 0.00394684/step, 2.11003 hours remaining, 112.171875 MB of memory in use. ENERGY: 575400 661.0676 1880.6107 1993.6361 107.7216 1.2600 -1097.0789 0.0000 0.0000 2730.0776 6277.2947 301.5447 3547.2171 6310.0288 302.5574 PRESSURE: 575600 0 0 0 0 0 0 0 0 0 GPRESSURE: 575600 0 0 0 0 0 0 0 0 0 PRESSAVG: 575600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 575600 0 0 0 0 0 0 0 0 0 TIMING: 575600 CPU: 2276.31, 0.00394762/step Wall: 2276.31, 0.00394762/step, 2.11022 hours remaining, 112.171875 MB of memory in use. ENERGY: 575600 650.1986 1925.9703 2012.6068 102.7644 1.1873 -1099.4521 0.0000 0.0000 2700.4411 6293.7164 298.2712 3593.2753 6327.7615 300.7973 PRESSURE: 575800 0 0 0 0 0 0 0 0 0 GPRESSURE: 575800 0 0 0 0 0 0 0 0 0 PRESSAVG: 575800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 575800 0 0 0 0 0 0 0 0 0 TIMING: 575800 CPU: 2277.1, 0.00394418/step Wall: 2277.1, 0.00394418/step, 2.10816 hours remaining, 112.171875 MB of memory in use. ENERGY: 575800 670.7798 1832.1952 1994.1169 107.1747 1.6373 -1080.5127 0.0000 0.0000 2755.6440 6281.0351 304.3686 3525.3912 6312.7357 302.5171 PRESSURE: 576000 0 0 0 0 0 0 0 0 0 GPRESSURE: 576000 0 0 0 0 0 0 0 0 0 PRESSAVG: 576000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 576000 0 0 0 0 0 0 0 0 0 TIMING: 576000 CPU: 2277.89, 0.00394578/step Wall: 2277.89, 0.00394578/step, 2.1088 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 576000 642.8509 1883.2563 2003.9235 110.5305 0.1695 -1068.7363 0.0000 0.0000 2711.6319 6283.6263 299.5073 3571.9944 6315.6491 302.8948 PRESSURE: 576200 0 0 0 0 0 0 0 0 0 GPRESSURE: 576200 0 0 0 0 0 0 0 0 0 PRESSAVG: 576200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 576200 0 0 0 0 0 0 0 0 0 TIMING: 576200 CPU: 2278.68, 0.00394666/step Wall: 2278.68, 0.00394667/step, 2.10905 hours remaining, 112.171875 MB of memory in use. ENERGY: 576200 672.8044 1859.3847 2032.9728 117.2361 0.5543 -1030.0779 0.0000 0.0000 2709.9842 6362.8586 299.3253 3652.8744 6392.9781 304.4114 LDB: ============= START OF LOAD BALANCING ============== 2281.64 LDB: ============== END OF LOAD BALANCING =============== 2281.64 LDB: =============== DONE WITH MIGRATION ================ 2281.64 LDB: ============= START OF LOAD BALANCING ============== 2282.04 LDB: ============== END OF LOAD BALANCING =============== 2282.04 LDB: =============== DONE WITH MIGRATION ================ 2282.04 PRESSURE: 576400 0 0 0 0 0 0 0 0 0 GPRESSURE: 576400 0 0 0 0 0 0 0 0 0 PRESSAVG: 576400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 576400 0 0 0 0 0 0 0 0 0 TIMING: 576400 CPU: 2279.47, 0.00395285/step Wall: 2279.47, 0.00395285/step, 2.11214 hours remaining, 112.171875 MB of memory in use. ENERGY: 576400 671.8219 1831.6160 2004.9335 113.1019 1.5878 -1037.7489 0.0000 0.0000 2762.4091 6347.7212 305.1158 3585.3121 6382.1981 304.3750 PRESSURE: 576600 0 0 0 0 0 0 0 0 0 GPRESSURE: 576600 0 0 0 0 0 0 0 0 0 PRESSAVG: 576600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 576600 0 0 0 0 0 0 0 0 0 TIMING: 576600 CPU: 2280.26, 0.00394876/step Wall: 2280.26, 0.00394876/step, 2.10974 hours remaining, 112.171875 MB of memory in use. ENERGY: 576600 660.3541 1797.9940 1999.0107 103.7484 1.1493 -1051.3102 0.0000 0.0000 2807.3867 6318.3330 310.0837 3510.9463 6353.9178 303.3582 PRESSURE: 576800 0 0 0 0 0 0 0 0 0 GPRESSURE: 576800 0 0 0 0 0 0 0 0 0 PRESSAVG: 576800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 576800 0 0 0 0 0 0 0 0 0 TIMING: 576800 CPU: 2281.05, 0.00394471/step Wall: 2281.05, 0.00394471/step, 2.10735 hours remaining, 112.171875 MB of memory in use. ENERGY: 576800 663.9448 1870.4503 2004.2369 111.1992 -0.2700 -1075.5248 0.0000 0.0000 2670.9358 6244.9723 295.0123 3574.0364 6276.6785 302.3994 PRESSURE: 577000 0 0 0 0 0 0 0 0 0 GPRESSURE: 577000 0 0 0 0 0 0 0 0 0 PRESSAVG: 577000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 577000 0 0 0 0 0 0 0 0 0 TIMING: 577000 CPU: 2281.84, 0.00394713/step Wall: 2281.84, 0.00394713/step, 2.10843 hours remaining, 112.171875 MB of memory in use. ENERGY: 577000 661.2555 1816.6351 2014.9059 117.5134 0.2093 -1089.1747 0.0000 0.0000 2767.5983 6288.9428 305.6889 3521.3445 6327.0880 302.1284 PRESSURE: 577200 0 0 0 0 0 0 0 0 0 GPRESSURE: 577200 0 0 0 0 0 0 0 0 0 PRESSAVG: 577200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 577200 0 0 0 0 0 0 0 0 0 TIMING: 577200 CPU: 2282.63, 0.00394784/step Wall: 2282.63, 0.00394784/step, 2.10859 hours remaining, 112.171875 MB of memory in use. ENERGY: 577200 656.7106 1830.1856 1977.9976 112.2635 0.1676 -1060.8670 0.0000 0.0000 2768.2332 6284.6912 305.7591 3516.4580 6319.8885 301.9985 PRESSURE: 577400 0 0 0 0 0 0 0 0 0 GPRESSURE: 577400 0 0 0 0 0 0 0 0 0 PRESSAVG: 577400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 577400 0 0 0 0 0 0 0 0 0 TIMING: 577400 CPU: 2283.42, 0.00394863/step Wall: 2283.42, 0.00394863/step, 2.10879 hours remaining, 112.171875 MB of memory in use. ENERGY: 577400 675.2876 1823.3540 1976.2258 97.9360 1.5258 -1098.7204 0.0000 0.0000 2788.5124 6264.1213 307.9990 3475.6089 6298.7800 301.0509 PRESSURE: 577600 0 0 0 0 0 0 0 0 0 GPRESSURE: 577600 0 0 0 0 0 0 0 0 0 PRESSAVG: 577600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 577600 0 0 0 0 0 0 0 0 0 TIMING: 577600 CPU: 2284.21, 0.00394835/step Wall: 2284.21, 0.00394835/step, 2.10842 hours remaining, 112.171875 MB of memory in use. ENERGY: 577600 620.1602 1829.3342 2002.5050 113.0970 2.1901 -1071.4453 0.0000 0.0000 2760.0802 6255.9215 304.8586 3495.8413 6297.3679 299.7817 PRESSURE: 577800 0 0 0 0 0 0 0 0 0 GPRESSURE: 577800 0 0 0 0 0 0 0 0 0 PRESSAVG: 577800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 577800 0 0 0 0 0 0 0 0 0 TIMING: 577800 CPU: 2285, 0.00394439/step Wall: 2285, 0.00394439/step, 2.10609 hours remaining, 112.171875 MB of memory in use. ENERGY: 577800 638.1455 1853.7703 1989.5949 105.1292 2.7514 -1062.1139 0.0000 0.0000 2739.4999 6266.7772 302.5854 3527.2773 6298.8629 299.7326 PRESSURE: 578000 0 0 0 0 0 0 0 0 0 GPRESSURE: 578000 0 0 0 0 0 0 0 0 0 PRESSAVG: 578000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 578000 0 0 0 0 0 0 0 0 0 TIMING: 578000 CPU: 2285.79, 0.00394987/step Wall: 2285.79, 0.00394987/step, 2.10879 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 578000 660.0873 1831.5121 1974.3674 108.9437 0.6707 -1054.3373 0.0000 0.0000 2768.7911 6290.0350 305.8207 3521.2439 6326.0118 301.2079 PRESSURE: 578200 0 0 0 0 0 0 0 0 0 GPRESSURE: 578200 0 0 0 0 0 0 0 0 0 PRESSAVG: 578200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 578200 0 0 0 0 0 0 0 0 0 TIMING: 578200 CPU: 2286.58, 0.00394935/step Wall: 2286.58, 0.00394935/step, 2.1083 hours remaining, 112.171875 MB of memory in use. ENERGY: 578200 674.2186 1813.1372 1993.9535 114.0342 0.7362 -1026.4387 0.0000 0.0000 2755.7779 6325.4191 304.3833 3569.6411 6360.1179 301.8374 PRESSURE: 578400 0 0 0 0 0 0 0 0 0 GPRESSURE: 578400 0 0 0 0 0 0 0 0 0 PRESSAVG: 578400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 578400 0 0 0 0 0 0 0 0 0 TIMING: 578400 CPU: 2287.37, 0.00394989/step Wall: 2287.37, 0.00394989/step, 2.10836 hours remaining, 112.171875 MB of memory in use. ENERGY: 578400 663.1708 1858.4552 2010.8988 127.0873 0.5009 -1053.6874 0.0000 0.0000 2728.1721 6334.5977 301.3342 3606.4256 6367.2876 303.7605 PRESSURE: 578600 0 0 0 0 0 0 0 0 0 GPRESSURE: 578600 0 0 0 0 0 0 0 0 0 PRESSAVG: 578600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 578600 0 0 0 0 0 0 0 0 0 TIMING: 578600 CPU: 2288.16, 0.00395111/step Wall: 2288.16, 0.00395111/step, 2.1088 hours remaining, 112.171875 MB of memory in use. ENERGY: 578600 675.6374 1838.1922 2002.2518 117.0457 0.7253 -1082.7128 0.0000 0.0000 2782.4878 6333.6275 307.3335 3551.1397 6370.3764 303.5739 PRESSURE: 578800 0 0 0 0 0 0 0 0 0 GPRESSURE: 578800 0 0 0 0 0 0 0 0 0 PRESSAVG: 578800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 578800 0 0 0 0 0 0 0 0 0 TIMING: 578800 CPU: 2288.95, 0.00394795/step Wall: 2288.95, 0.00394795/step, 2.10689 hours remaining, 112.171875 MB of memory in use. ENERGY: 578800 674.3870 1853.6186 1980.8866 101.4198 1.6252 -1057.9907 0.0000 0.0000 2754.2169 6308.1633 304.2109 3553.9464 6341.6022 302.3946 PRESSURE: 579000 0 0 0 0 0 0 0 0 0 GPRESSURE: 579000 0 0 0 0 0 0 0 0 0 PRESSAVG: 579000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 579000 0 0 0 0 0 0 0 0 0 TIMING: 579000 CPU: 2289.74, 0.00395126/step Wall: 2289.74, 0.00395126/step, 2.10843 hours remaining, 112.171875 MB of memory in use. ENERGY: 579000 670.1254 1784.3373 1998.4034 101.9073 0.2807 -1059.2585 0.0000 0.0000 2774.7919 6270.5874 306.4835 3495.7955 6304.6251 301.7411 PRESSURE: 579200 0 0 0 0 0 0 0 0 0 GPRESSURE: 579200 0 0 0 0 0 0 0 0 0 PRESSAVG: 579200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 579200 0 0 0 0 0 0 0 0 0 TIMING: 579200 CPU: 2290.53, 0.00395123/step Wall: 2290.53, 0.00395124/step, 2.1082 hours remaining, 112.171875 MB of memory in use. ENERGY: 579200 654.0509 1812.3651 2002.0679 99.2936 2.1433 -1055.4154 0.0000 0.0000 2758.6441 6273.1495 304.6999 3514.5054 6304.9886 301.4908 PRESSURE: 579400 0 0 0 0 0 0 0 0 0 GPRESSURE: 579400 0 0 0 0 0 0 0 0 0 PRESSAVG: 579400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 579400 0 0 0 0 0 0 0 0 0 TIMING: 579400 CPU: 2291.32, 0.00395227/step Wall: 2291.32, 0.00395227/step, 2.10854 hours remaining, 112.171875 MB of memory in use. ENERGY: 579400 666.4133 1812.2080 1994.8641 97.2659 2.0256 -1063.1444 0.0000 0.0000 2739.2161 6248.8486 302.5541 3509.6325 6281.8764 300.2129 PRESSURE: 579600 0 0 0 0 0 0 0 0 0 GPRESSURE: 579600 0 0 0 0 0 0 0 0 0 PRESSAVG: 579600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 579600 0 0 0 0 0 0 0 0 0 TIMING: 579600 CPU: 2292.11, 0.00394728/step Wall: 2292.11, 0.00394728/step, 2.10565 hours remaining, 112.171875 MB of memory in use. ENERGY: 579600 641.2739 1850.4105 2012.2352 113.0709 2.0526 -1072.7938 0.0000 0.0000 2721.5978 6267.8472 300.6081 3546.2494 6300.9449 301.9869 PRESSURE: 579800 0 0 0 0 0 0 0 0 0 GPRESSURE: 579800 0 0 0 0 0 0 0 0 0 PRESSAVG: 579800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 579800 0 0 0 0 0 0 0 0 0 TIMING: 579800 CPU: 2292.9, 0.00394774/step Wall: 2292.9, 0.00394774/step, 2.10568 hours remaining, 112.171875 MB of memory in use. ENERGY: 579800 661.9160 1860.8572 2028.5077 111.2711 1.8029 -1119.5632 0.0000 0.0000 2723.3534 6268.1451 300.8020 3544.7917 6299.8732 300.5678 PRESSURE: 580000 0 0 0 0 0 0 0 0 0 GPRESSURE: 580000 0 0 0 0 0 0 0 0 0 PRESSAVG: 580000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 580000 0 0 0 0 0 0 0 0 0 TIMING: 580000 CPU: 2293.69, 0.00394933/step Wall: 2293.69, 0.00394932/step, 2.1063 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 580000 638.8164 1865.4757 2003.4071 107.5524 1.5860 -1072.8900 0.0000 0.0000 2766.9824 6310.9301 305.6209 3543.9477 6345.5075 301.2142 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 580000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 580000 WRITING COORDINATES TO RESTART FILE AT STEP 580000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 580000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 580200 0 0 0 0 0 0 0 0 0 GPRESSURE: 580200 0 0 0 0 0 0 0 0 0 PRESSAVG: 580200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 580200 0 0 0 0 0 0 0 0 0 TIMING: 580200 CPU: 2294.51, 0.00411933/step Wall: 2294.51, 0.00411934/step, 2.19675 hours remaining, 112.171875 MB of memory in use. ENERGY: 580200 686.1635 1892.6115 2000.9721 98.3532 -0.4179 -1065.5786 0.0000 0.0000 2694.7398 6306.8436 297.6415 3612.1038 6337.9447 301.0075 LDB: ============= START OF LOAD BALANCING ============== 2297.47 LDB: ============== END OF LOAD BALANCING =============== 2297.47 LDB: =============== DONE WITH MIGRATION ================ 2297.47 LDB: ============= START OF LOAD BALANCING ============== 2297.87 LDB: ============== END OF LOAD BALANCING =============== 2297.87 LDB: =============== DONE WITH MIGRATION ================ 2297.87 PRESSURE: 580400 0 0 0 0 0 0 0 0 0 GPRESSURE: 580400 0 0 0 0 0 0 0 0 0 PRESSAVG: 580400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 580400 0 0 0 0 0 0 0 0 0 TIMING: 580400 CPU: 2295.3, 0.00395519/step Wall: 2295.3, 0.00395519/step, 2.10899 hours remaining, 112.171875 MB of memory in use. ENERGY: 580400 625.4787 1849.5779 2013.7008 114.4038 1.2494 -1060.6417 0.0000 0.0000 2694.0645 6237.8334 297.5669 3543.7689 6271.9129 300.7717 PRESSURE: 580600 0 0 0 0 0 0 0 0 0 GPRESSURE: 580600 0 0 0 0 0 0 0 0 0 PRESSAVG: 580600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 580600 0 0 0 0 0 0 0 0 0 TIMING: 580600 CPU: 2296.09, 0.00394704/step Wall: 2296.09, 0.00394704/step, 2.10443 hours remaining, 112.171875 MB of memory in use. ENERGY: 580600 654.8381 1844.7896 1994.1611 112.3736 1.7267 -1081.1142 0.0000 0.0000 2660.7530 6187.5279 293.8876 3526.7749 6219.1082 297.9758 PRESSURE: 580800 0 0 0 0 0 0 0 0 0 GPRESSURE: 580800 0 0 0 0 0 0 0 0 0 PRESSAVG: 580800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 580800 0 0 0 0 0 0 0 0 0 TIMING: 580800 CPU: 2296.88, 0.00394938/step Wall: 2296.88, 0.00394938/step, 2.10546 hours remaining, 112.171875 MB of memory in use. ENERGY: 580800 643.9384 1885.9246 2009.4174 114.6519 0.0627 -1064.1195 0.0000 0.0000 2674.1067 6263.9823 295.3625 3589.8756 6294.1043 298.8972 PRESSURE: 581000 0 0 0 0 0 0 0 0 0 GPRESSURE: 581000 0 0 0 0 0 0 0 0 0 PRESSAVG: 581000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 581000 0 0 0 0 0 0 0 0 0 TIMING: 581000 CPU: 2297.67, 0.0039495/step Wall: 2297.67, 0.0039495/step, 2.1053 hours remaining, 112.171875 MB of memory in use. ENERGY: 581000 634.5292 1859.0092 2000.6588 105.5121 1.9737 -1022.7198 0.0000 0.0000 2728.6416 6307.6048 301.3861 3578.9633 6342.3169 301.4217 PRESSURE: 581200 0 0 0 0 0 0 0 0 0 GPRESSURE: 581200 0 0 0 0 0 0 0 0 0 PRESSAVG: 581200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 581200 0 0 0 0 0 0 0 0 0 TIMING: 581200 CPU: 2298.46, 0.00396234/step Wall: 2298.46, 0.00396234/step, 2.11193 hours remaining, 112.171875 MB of memory in use. ENERGY: 581200 625.6860 1838.8492 2013.2454 106.1834 2.0803 -1081.8413 0.0000 0.0000 2748.7558 6252.9589 303.6077 3504.2030 6286.6638 301.3747 PRESSURE: 581400 0 0 0 0 0 0 0 0 0 GPRESSURE: 581400 0 0 0 0 0 0 0 0 0 PRESSAVG: 581400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 581400 0 0 0 0 0 0 0 0 0 TIMING: 581400 CPU: 2299.25, 0.00394965/step Wall: 2299.25, 0.00394965/step, 2.10495 hours remaining, 112.171875 MB of memory in use. ENERGY: 581400 652.0431 1872.0362 2007.8520 106.0002 0.9181 -1072.6973 0.0000 0.0000 2692.1000 6258.2524 297.3499 3566.1524 6288.2801 299.7190 PRESSURE: 581600 0 0 0 0 0 0 0 0 0 GPRESSURE: 581600 0 0 0 0 0 0 0 0 0 PRESSAVG: 581600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 581600 0 0 0 0 0 0 0 0 0 TIMING: 581600 CPU: 2300.04, 0.00394656/step Wall: 2300.04, 0.00394656/step, 2.10308 hours remaining, 112.171875 MB of memory in use. ENERGY: 581600 650.4881 1868.1034 2002.7034 101.6868 0.6623 -1086.5541 0.0000 0.0000 2670.4081 6207.4981 294.9540 3537.0900 6238.1297 297.0446 PRESSURE: 581800 0 0 0 0 0 0 0 0 0 GPRESSURE: 581800 0 0 0 0 0 0 0 0 0 PRESSAVG: 581800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 581800 0 0 0 0 0 0 0 0 0 TIMING: 581800 CPU: 2300.83, 0.00394668/step Wall: 2300.83, 0.00394668/step, 2.10293 hours remaining, 112.171875 MB of memory in use. ENERGY: 581800 665.7830 1804.8093 1986.4791 91.5823 1.1790 -1069.3628 0.0000 0.0000 2684.8862 6165.3560 296.5532 3480.4698 6200.0001 295.8667 PRESSURE: 582000 0 0 0 0 0 0 0 0 0 GPRESSURE: 582000 0 0 0 0 0 0 0 0 0 PRESSAVG: 582000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 582000 0 0 0 0 0 0 0 0 0 TIMING: 582000 CPU: 2301.62, 0.00394969/step Wall: 2301.62, 0.00394969/step, 2.1043 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 582000 655.4611 1866.3239 2012.2797 103.1367 0.9178 -1052.2171 0.0000 0.0000 2674.7118 6260.6138 295.4294 3585.9020 6290.5161 297.2124 PRESSURE: 582200 0 0 0 0 0 0 0 0 0 GPRESSURE: 582200 0 0 0 0 0 0 0 0 0 PRESSAVG: 582200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 582200 0 0 0 0 0 0 0 0 0 TIMING: 582200 CPU: 2302.41, 0.00394729/step Wall: 2302.41, 0.00394729/step, 2.10281 hours remaining, 112.171875 MB of memory in use. ENERGY: 582200 663.0176 1853.1141 2003.6955 107.8011 1.0205 -1048.4329 0.0000 0.0000 2718.6882 6298.9041 300.2867 3580.2158 6333.1377 301.7067 PRESSURE: 582400 0 0 0 0 0 0 0 0 0 GPRESSURE: 582400 0 0 0 0 0 0 0 0 0 PRESSAVG: 582400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 582400 0 0 0 0 0 0 0 0 0 TIMING: 582400 CPU: 2303.2, 0.00394814/step Wall: 2303.2, 0.00394814/step, 2.10304 hours remaining, 112.171875 MB of memory in use. ENERGY: 582400 644.2946 1891.0549 1976.9201 98.5706 0.4314 -1041.3667 0.0000 0.0000 2735.0320 6304.9369 302.0919 3569.9049 6338.2134 301.5220 PRESSURE: 582600 0 0 0 0 0 0 0 0 0 GPRESSURE: 582600 0 0 0 0 0 0 0 0 0 PRESSAVG: 582600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 582600 0 0 0 0 0 0 0 0 0 TIMING: 582600 CPU: 2303.99, 0.00394485/step Wall: 2303.99, 0.00394485/step, 2.10107 hours remaining, 112.171875 MB of memory in use. ENERGY: 582600 649.0382 1857.6357 1971.1943 101.8321 0.5890 -1045.4544 0.0000 0.0000 2748.7039 6283.5388 303.6020 3534.8349 6314.5005 300.9766 PRESSURE: 582800 0 0 0 0 0 0 0 0 0 GPRESSURE: 582800 0 0 0 0 0 0 0 0 0 PRESSAVG: 582800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 582800 0 0 0 0 0 0 0 0 0 TIMING: 582800 CPU: 2304.78, 0.00394604/step Wall: 2304.78, 0.00394604/step, 2.10149 hours remaining, 112.171875 MB of memory in use. ENERGY: 582800 639.5609 1880.6664 1999.1625 96.2661 -0.2853 -1053.8470 0.0000 0.0000 2744.4167 6305.9402 303.1285 3561.5235 6339.3739 302.4910 PRESSURE: 583000 0 0 0 0 0 0 0 0 0 GPRESSURE: 583000 0 0 0 0 0 0 0 0 0 PRESSAVG: 583000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 583000 0 0 0 0 0 0 0 0 0 TIMING: 583000 CPU: 2305.57, 0.00394689/step Wall: 2305.57, 0.00394689/step, 2.10172 hours remaining, 112.171875 MB of memory in use. ENERGY: 583000 670.0576 1852.2940 2000.4194 99.4582 1.1725 -1048.6765 0.0000 0.0000 2725.3597 6300.0849 301.0236 3574.7252 6333.0657 303.9175 PRESSURE: 583200 0 0 0 0 0 0 0 0 0 GPRESSURE: 583200 0 0 0 0 0 0 0 0 0 PRESSAVG: 583200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 583200 0 0 0 0 0 0 0 0 0 TIMING: 583200 CPU: 2306.36, 0.00394598/step Wall: 2306.36, 0.00394598/step, 2.10101 hours remaining, 112.171875 MB of memory in use. ENERGY: 583200 641.8270 1778.1457 2033.9207 104.3787 0.6901 -1033.0814 0.0000 0.0000 2759.1313 6285.0120 304.7537 3525.8807 6318.2876 300.5475 PRESSURE: 583400 0 0 0 0 0 0 0 0 0 GPRESSURE: 583400 0 0 0 0 0 0 0 0 0 PRESSAVG: 583400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 583400 0 0 0 0 0 0 0 0 0 TIMING: 583400 CPU: 2307.15, 0.00394418/step Wall: 2307.15, 0.00394418/step, 2.09984 hours remaining, 112.171875 MB of memory in use. ENERGY: 583400 663.1694 1833.6485 2013.5143 108.8432 -0.8838 -1061.0327 0.0000 0.0000 2712.2571 6269.5161 299.5764 3557.2590 6301.5010 301.9973 PRESSURE: 583600 0 0 0 0 0 0 0 0 0 GPRESSURE: 583600 0 0 0 0 0 0 0 0 0 PRESSAVG: 583600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 583600 0 0 0 0 0 0 0 0 0 TIMING: 583600 CPU: 2307.94, 0.00394555/step Wall: 2307.94, 0.00394555/step, 2.10035 hours remaining, 112.171875 MB of memory in use. ENERGY: 583600 630.6914 1803.3079 2013.7463 117.9987 -1.0671 -1074.6627 0.0000 0.0000 2689.6984 6179.7130 297.0847 3490.0145 6213.5044 298.7845 PRESSURE: 583800 0 0 0 0 0 0 0 0 0 GPRESSURE: 583800 0 0 0 0 0 0 0 0 0 PRESSAVG: 583800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 583800 0 0 0 0 0 0 0 0 0 TIMING: 583800 CPU: 2308.73, 0.00394693/step Wall: 2308.73, 0.00394693/step, 2.10087 hours remaining, 112.171875 MB of memory in use. ENERGY: 583800 645.3384 1803.6302 2034.1674 110.6576 -1.3397 -1063.0378 0.0000 0.0000 2664.9346 6194.3507 294.3495 3529.4161 6225.1695 295.5004 PRESSURE: 584000 0 0 0 0 0 0 0 0 0 GPRESSURE: 584000 0 0 0 0 0 0 0 0 0 PRESSAVG: 584000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 584000 0 0 0 0 0 0 0 0 0 TIMING: 584000 CPU: 2309.52, 0.00394818/step Wall: 2309.52, 0.00394818/step, 2.10131 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 584000 654.6193 1816.7593 1962.0586 86.7583 0.0624 -1090.4205 0.0000 0.0000 2709.8850 6139.7224 299.3143 3429.8374 6172.5718 293.8521 PRESSURE: 584200 0 0 0 0 0 0 0 0 0 GPRESSURE: 584200 0 0 0 0 0 0 0 0 0 PRESSAVG: 584200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 584200 0 0 0 0 0 0 0 0 0 TIMING: 584200 CPU: 2310.3, 0.0039461/step Wall: 2310.3, 0.0039461/step, 2.09998 hours remaining, 112.171875 MB of memory in use. ENERGY: 584200 636.8841 1827.7950 1993.0422 121.8497 0.9899 -1088.0632 0.0000 0.0000 2681.4302 6173.9278 296.1714 3492.4977 6204.5625 295.8812 LDB: ============= START OF LOAD BALANCING ============== 2313.26 LDB: ============== END OF LOAD BALANCING =============== 2313.26 LDB: =============== DONE WITH MIGRATION ================ 2313.26 LDB: ============= START OF LOAD BALANCING ============== 2313.66 LDB: ============== END OF LOAD BALANCING =============== 2313.66 LDB: =============== DONE WITH MIGRATION ================ 2313.66 PRESSURE: 584400 0 0 0 0 0 0 0 0 0 GPRESSURE: 584400 0 0 0 0 0 0 0 0 0 PRESSAVG: 584400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 584400 0 0 0 0 0 0 0 0 0 TIMING: 584400 CPU: 2311.09, 0.00394968/step Wall: 2311.09, 0.00394968/step, 2.10167 hours remaining, 112.171875 MB of memory in use. ENERGY: 584400 635.3329 1751.4943 2032.8077 114.5083 0.6508 -1090.4450 0.0000 0.0000 2743.5252 6187.8743 303.0300 3444.3491 6223.0938 297.0515 PRESSURE: 584600 0 0 0 0 0 0 0 0 0 GPRESSURE: 584600 0 0 0 0 0 0 0 0 0 PRESSAVG: 584600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 584600 0 0 0 0 0 0 0 0 0 TIMING: 584600 CPU: 2311.88, 0.00394588/step Wall: 2311.88, 0.00394588/step, 2.09943 hours remaining, 112.171875 MB of memory in use. ENERGY: 584600 621.3631 1874.0256 2003.9012 107.9865 1.2145 -1078.2154 0.0000 0.0000 2694.8780 6225.1533 297.6568 3530.2754 6259.7182 297.0012 PRESSURE: 584800 0 0 0 0 0 0 0 0 0 GPRESSURE: 584800 0 0 0 0 0 0 0 0 0 PRESSAVG: 584800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 584800 0 0 0 0 0 0 0 0 0 TIMING: 584800 CPU: 2312.67, 0.00394646/step Wall: 2312.67, 0.00394646/step, 2.09951 hours remaining, 112.171875 MB of memory in use. ENERGY: 584800 642.4084 1820.6488 2017.2283 114.9136 -0.0193 -1085.5491 0.0000 0.0000 2691.3787 6201.0093 297.2703 3509.6306 6235.6692 297.1885 PRESSURE: 585000 0 0 0 0 0 0 0 0 0 GPRESSURE: 585000 0 0 0 0 0 0 0 0 0 PRESSAVG: 585000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 585000 0 0 0 0 0 0 0 0 0 TIMING: 585000 CPU: 2313.46, 0.00394674/step Wall: 2313.46, 0.00394674/step, 2.09945 hours remaining, 112.171875 MB of memory in use. ENERGY: 585000 669.9782 1812.0138 2014.5281 117.7988 0.2394 -1055.3685 0.0000 0.0000 2627.9060 6187.0958 290.2595 3559.1898 6217.3772 295.4502 PRESSURE: 585200 0 0 0 0 0 0 0 0 0 GPRESSURE: 585200 0 0 0 0 0 0 0 0 0 PRESSAVG: 585200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 585200 0 0 0 0 0 0 0 0 0 TIMING: 585200 CPU: 2314.25, 0.00394727/step Wall: 2314.25, 0.00394727/step, 2.09951 hours remaining, 112.171875 MB of memory in use. ENERGY: 585200 598.6942 1810.9460 1988.3670 117.5608 0.7019 -1030.3857 0.0000 0.0000 2709.5226 6195.4068 299.2743 3485.8842 6225.8966 295.4108 PRESSURE: 585400 0 0 0 0 0 0 0 0 0 GPRESSURE: 585400 0 0 0 0 0 0 0 0 0 PRESSAVG: 585400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 585400 0 0 0 0 0 0 0 0 0 TIMING: 585400 CPU: 2315.04, 0.00394521/step Wall: 2315.04, 0.00394521/step, 2.09819 hours remaining, 112.171875 MB of memory in use. ENERGY: 585400 677.4940 1794.0011 2010.5783 87.8048 1.8541 -1061.7799 0.0000 0.0000 2679.5715 6189.5238 295.9661 3509.9523 6221.7051 295.4262 PRESSURE: 585600 0 0 0 0 0 0 0 0 0 GPRESSURE: 585600 0 0 0 0 0 0 0 0 0 PRESSAVG: 585600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 585600 0 0 0 0 0 0 0 0 0 TIMING: 585600 CPU: 2315.83, 0.00394548/step Wall: 2315.83, 0.00394548/step, 2.09812 hours remaining, 112.171875 MB of memory in use. ENERGY: 585600 628.5085 1811.5572 2017.1955 110.2417 -0.4058 -1071.3558 0.0000 0.0000 2690.0090 6185.7504 297.1190 3495.7414 6218.2570 296.5247 PRESSURE: 585800 0 0 0 0 0 0 0 0 0 GPRESSURE: 585800 0 0 0 0 0 0 0 0 0 PRESSAVG: 585800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 585800 0 0 0 0 0 0 0 0 0 TIMING: 585800 CPU: 2316.62, 0.00394719/step Wall: 2316.62, 0.00394719/step, 2.09881 hours remaining, 112.171875 MB of memory in use. ENERGY: 585800 628.8656 1876.2858 1996.7407 110.0681 1.5277 -1060.8719 0.0000 0.0000 2696.0976 6248.7136 297.7915 3552.6160 6281.4113 297.6431 PRESSURE: 586000 0 0 0 0 0 0 0 0 0 GPRESSURE: 586000 0 0 0 0 0 0 0 0 0 PRESSAVG: 586000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 586000 0 0 0 0 0 0 0 0 0 TIMING: 586000 CPU: 2317.41, 0.00394889/step Wall: 2317.41, 0.00394889/step, 2.09949 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 586000 676.8964 1831.2854 2026.2301 109.5804 0.4868 -1042.4260 0.0000 0.0000 2654.3603 6256.4135 293.1815 3602.0532 6283.9995 298.6295 PRESSURE: 586200 0 0 0 0 0 0 0 0 0 GPRESSURE: 586200 0 0 0 0 0 0 0 0 0 PRESSAVG: 586200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 586200 0 0 0 0 0 0 0 0 0 TIMING: 586200 CPU: 2318.2, 0.0039468/step Wall: 2318.2, 0.0039468/step, 2.09816 hours remaining, 112.171875 MB of memory in use. ENERGY: 586200 667.9401 1860.0729 1986.7336 96.7007 0.6687 -1101.4576 0.0000 0.0000 2718.7500 6229.4083 300.2935 3510.6583 6261.9537 298.8066 PRESSURE: 586400 0 0 0 0 0 0 0 0 0 GPRESSURE: 586400 0 0 0 0 0 0 0 0 0 PRESSAVG: 586400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 586400 0 0 0 0 0 0 0 0 0 TIMING: 586400 CPU: 2318.99, 0.0039476/step Wall: 2318.99, 0.0039476/step, 2.09837 hours remaining, 112.171875 MB of memory in use. ENERGY: 586400 699.6833 1842.3108 1992.5351 112.6712 0.0911 -1026.3284 0.0000 0.0000 2716.1276 6337.0906 300.0039 3620.9630 6367.8050 301.0842 PRESSURE: 586600 0 0 0 0 0 0 0 0 0 GPRESSURE: 586600 0 0 0 0 0 0 0 0 0 PRESSAVG: 586600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 586600 0 0 0 0 0 0 0 0 0 TIMING: 586600 CPU: 2319.78, 0.00394709/step Wall: 2319.78, 0.00394709/step, 2.09788 hours remaining, 112.171875 MB of memory in use. ENERGY: 586600 657.6751 1789.1398 2022.8717 104.5329 1.8922 -1030.6266 0.0000 0.0000 2798.6524 6344.1375 309.1190 3545.4850 6379.1934 305.1630 PRESSURE: 586800 0 0 0 0 0 0 0 0 0 GPRESSURE: 586800 0 0 0 0 0 0 0 0 0 PRESSAVG: 586800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 586800 0 0 0 0 0 0 0 0 0 TIMING: 586800 CPU: 2320.57, 0.00394864/step Wall: 2320.57, 0.00394864/step, 2.09848 hours remaining, 112.171875 MB of memory in use. ENERGY: 586800 652.2301 1830.5320 2013.5318 112.4241 2.8577 -1029.8772 0.0000 0.0000 2741.7545 6323.4530 302.8344 3581.6985 6355.8775 304.2689 PRESSURE: 587000 0 0 0 0 0 0 0 0 0 GPRESSURE: 587000 0 0 0 0 0 0 0 0 0 PRESSAVG: 587000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 587000 0 0 0 0 0 0 0 0 0 TIMING: 587000 CPU: 2321.36, 0.00396174/step Wall: 2321.36, 0.00396174/step, 2.10523 hours remaining, 112.171875 MB of memory in use. ENERGY: 587000 664.0181 1824.0949 2031.0127 111.1685 0.9921 -1068.6256 0.0000 0.0000 2698.4719 6261.1326 298.0537 3562.6607 6295.9797 300.2518 PRESSURE: 587200 0 0 0 0 0 0 0 0 0 GPRESSURE: 587200 0 0 0 0 0 0 0 0 0 PRESSAVG: 587200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 587200 0 0 0 0 0 0 0 0 0 TIMING: 587200 CPU: 2322.15, 0.00395022/step Wall: 2322.15, 0.00395022/step, 2.09888 hours remaining, 112.171875 MB of memory in use. ENERGY: 587200 639.4732 1826.9642 2042.6454 105.3921 2.3110 -1085.2488 0.0000 0.0000 2678.5541 6210.0913 295.8538 3531.5372 6241.6667 298.4340 PRESSURE: 587400 0 0 0 0 0 0 0 0 0 GPRESSURE: 587400 0 0 0 0 0 0 0 0 0 PRESSAVG: 587400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 587400 0 0 0 0 0 0 0 0 0 TIMING: 587400 CPU: 2322.94, 0.00395144/step Wall: 2322.94, 0.00395144/step, 2.09931 hours remaining, 112.171875 MB of memory in use. ENERGY: 587400 612.8466 1844.1202 2007.0915 105.5744 2.1679 -1060.8915 0.0000 0.0000 2673.3780 6184.2871 295.2820 3510.9091 6219.8564 297.0142 PRESSURE: 587600 0 0 0 0 0 0 0 0 0 GPRESSURE: 587600 0 0 0 0 0 0 0 0 0 PRESSAVG: 587600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 587600 0 0 0 0 0 0 0 0 0 TIMING: 587600 CPU: 2323.73, 0.0039503/step Wall: 2323.73, 0.0039503/step, 2.09849 hours remaining, 112.171875 MB of memory in use. ENERGY: 587600 660.3883 1772.4566 2039.2025 102.0820 1.6170 -1024.7995 0.0000 0.0000 2675.5179 6226.4649 295.5184 3550.9470 6261.7951 297.3239 PRESSURE: 587800 0 0 0 0 0 0 0 0 0 GPRESSURE: 587800 0 0 0 0 0 0 0 0 0 PRESSAVG: 587800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 587800 0 0 0 0 0 0 0 0 0 TIMING: 587800 CPU: 2324.52, 0.00395086/step Wall: 2324.52, 0.00395086/step, 2.09857 hours remaining, 112.171875 MB of memory in use. ENERGY: 587800 642.6364 1848.2001 1972.1122 111.9900 2.2335 -1042.4981 0.0000 0.0000 2667.2215 6201.8955 294.6020 3534.6740 6231.6480 296.4025 PRESSURE: 588000 0 0 0 0 0 0 0 0 0 GPRESSURE: 588000 0 0 0 0 0 0 0 0 0 PRESSAVG: 588000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 588000 0 0 0 0 0 0 0 0 0 TIMING: 588000 CPU: 2325.31, 0.00394981/step Wall: 2325.31, 0.00394981/step, 2.09779 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 588000 682.7649 1865.1030 1966.7568 103.9459 0.6889 -1074.4352 0.0000 0.0000 2700.8649 6245.6892 298.3181 3544.8243 6277.8666 297.3603 PRESSURE: 588200 0 0 0 0 0 0 0 0 0 GPRESSURE: 588200 0 0 0 0 0 0 0 0 0 PRESSAVG: 588200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 588200 0 0 0 0 0 0 0 0 0 TIMING: 588200 CPU: 2326.1, 0.00394835/step Wall: 2326.1, 0.00394835/step, 2.09679 hours remaining, 112.171875 MB of memory in use. ENERGY: 588200 635.4926 1797.4841 2006.1893 94.6269 1.6397 -1037.4694 0.0000 0.0000 2683.6781 6181.6413 296.4197 3497.9632 6215.4889 297.7417 LDB: ============= START OF LOAD BALANCING ============== 2329.06 LDB: ============== END OF LOAD BALANCING =============== 2329.06 LDB: =============== DONE WITH MIGRATION ================ 2329.06 LDB: ============= START OF LOAD BALANCING ============== 2329.46 LDB: ============== END OF LOAD BALANCING =============== 2329.46 LDB: =============== DONE WITH MIGRATION ================ 2329.46 PRESSURE: 588400 0 0 0 0 0 0 0 0 0 GPRESSURE: 588400 0 0 0 0 0 0 0 0 0 PRESSAVG: 588400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 588400 0 0 0 0 0 0 0 0 0 TIMING: 588400 CPU: 2326.89, 0.00395579/step Wall: 2326.89, 0.00395579/step, 2.10052 hours remaining, 112.171875 MB of memory in use. ENERGY: 588400 666.0160 1817.9840 2014.3014 97.3087 0.8734 -1041.5230 0.0000 0.0000 2679.6154 6234.5759 295.9710 3554.9606 6266.4241 295.7265 PRESSURE: 588600 0 0 0 0 0 0 0 0 0 GPRESSURE: 588600 0 0 0 0 0 0 0 0 0 PRESSAVG: 588600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 588600 0 0 0 0 0 0 0 0 0 TIMING: 588600 CPU: 2327.68, 0.00395104/step Wall: 2327.68, 0.00395104/step, 2.09778 hours remaining, 112.171875 MB of memory in use. ENERGY: 588600 666.6948 1833.3170 2003.2467 102.8437 0.5487 -1053.1068 0.0000 0.0000 2703.1749 6256.7191 298.5732 3553.5442 6291.4866 298.9665 PRESSURE: 588800 0 0 0 0 0 0 0 0 0 GPRESSURE: 588800 0 0 0 0 0 0 0 0 0 PRESSAVG: 588800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 588800 0 0 0 0 0 0 0 0 0 TIMING: 588800 CPU: 2328.47, 0.00394902/step Wall: 2328.47, 0.00394901/step, 2.09649 hours remaining, 112.171875 MB of memory in use. ENERGY: 588800 641.5040 1827.3370 1991.5284 114.4431 2.1313 -1053.5842 0.0000 0.0000 2698.5128 6221.8725 298.0583 3523.3597 6255.2521 297.8583 PRESSURE: 589000 0 0 0 0 0 0 0 0 0 GPRESSURE: 589000 0 0 0 0 0 0 0 0 0 PRESSAVG: 589000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 589000 0 0 0 0 0 0 0 0 0 TIMING: 589000 CPU: 2329.26, 0.00394842/step Wall: 2329.26, 0.00394843/step, 2.09596 hours remaining, 112.171875 MB of memory in use. ENERGY: 589000 677.3729 1805.7826 2022.8765 109.5237 1.5893 -1052.4829 0.0000 0.0000 2668.6271 6233.2891 294.7573 3564.6621 6264.2249 296.6407 PRESSURE: 589200 0 0 0 0 0 0 0 0 0 GPRESSURE: 589200 0 0 0 0 0 0 0 0 0 PRESSAVG: 589200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 589200 0 0 0 0 0 0 0 0 0 TIMING: 589200 CPU: 2330.05, 0.00394604/step Wall: 2330.05, 0.00394604/step, 2.09447 hours remaining, 112.171875 MB of memory in use. ENERGY: 589200 642.0332 1824.2921 2036.5831 102.0622 2.6160 -1067.4504 0.0000 0.0000 2649.3256 6189.4618 292.6254 3540.1362 6221.7088 297.2759 PRESSURE: 589400 0 0 0 0 0 0 0 0 0 GPRESSURE: 589400 0 0 0 0 0 0 0 0 0 PRESSAVG: 589400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 589400 0 0 0 0 0 0 0 0 0 TIMING: 589400 CPU: 2330.84, 0.00394796/step Wall: 2330.84, 0.00394796/step, 2.09527 hours remaining, 112.171875 MB of memory in use. ENERGY: 589400 644.2469 1836.9735 2025.4251 113.1762 2.0895 -1058.2157 0.0000 0.0000 2711.1501 6274.8455 299.4541 3563.6955 6306.3272 297.3075 PRESSURE: 589600 0 0 0 0 0 0 0 0 0 GPRESSURE: 589600 0 0 0 0 0 0 0 0 0 PRESSAVG: 589600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 589600 0 0 0 0 0 0 0 0 0 TIMING: 589600 CPU: 2331.63, 0.00394935/step Wall: 2331.63, 0.00394935/step, 2.09579 hours remaining, 112.171875 MB of memory in use. ENERGY: 589600 668.3069 1809.2872 2036.0287 106.1961 2.1978 -1031.1798 0.0000 0.0000 2720.4502 6311.2870 300.4813 3590.8368 6343.9939 299.6884 PRESSURE: 589800 0 0 0 0 0 0 0 0 0 GPRESSURE: 589800 0 0 0 0 0 0 0 0 0 PRESSAVG: 589800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 589800 0 0 0 0 0 0 0 0 0 TIMING: 589800 CPU: 2332.42, 0.00394795/step Wall: 2332.42, 0.00394795/step, 2.09483 hours remaining, 112.171875 MB of memory in use. ENERGY: 589800 694.6490 1856.5953 2013.5545 106.3731 3.0511 -1053.4544 0.0000 0.0000 2723.6553 6344.4239 300.8353 3620.7686 6375.1353 302.4924 PRESSURE: 590000 0 0 0 0 0 0 0 0 0 GPRESSURE: 590000 0 0 0 0 0 0 0 0 0 PRESSAVG: 590000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 590000 0 0 0 0 0 0 0 0 0 TIMING: 590000 CPU: 2333.21, 0.00394662/step Wall: 2333.21, 0.00394662/step, 2.0939 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 590000 697.0479 1769.1465 1995.4462 104.1518 0.5629 -1050.1876 0.0000 0.0000 2804.7861 6320.9538 309.7964 3516.1677 6354.5219 302.4750 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 590000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 590000 WRITING COORDINATES TO RESTART FILE AT STEP 590000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 590000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 590200 0 0 0 0 0 0 0 0 0 GPRESSURE: 590200 0 0 0 0 0 0 0 0 0 PRESSAVG: 590200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 590200 0 0 0 0 0 0 0 0 0 TIMING: 590200 CPU: 2334.03, 0.00411101/step Wall: 2334.03, 0.00411101/step, 2.18089 hours remaining, 112.171875 MB of memory in use. ENERGY: 590200 669.7936 1878.8908 2022.1996 113.9735 1.7700 -1089.3014 0.0000 0.0000 2769.2559 6366.5821 305.8720 3597.3261 6399.4116 303.7918 PRESSURE: 590400 0 0 0 0 0 0 0 0 0 GPRESSURE: 590400 0 0 0 0 0 0 0 0 0 PRESSAVG: 590400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 590400 0 0 0 0 0 0 0 0 0 TIMING: 590400 CPU: 2334.82, 0.00394948/step Wall: 2334.82, 0.00394948/step, 2.09498 hours remaining, 112.171875 MB of memory in use. ENERGY: 590400 687.0436 1862.1833 2028.0273 98.2017 1.7366 -1077.6432 0.0000 0.0000 2758.5690 6358.1182 304.6916 3599.5492 6390.1865 305.7217 PRESSURE: 590600 0 0 0 0 0 0 0 0 0 GPRESSURE: 590600 0 0 0 0 0 0 0 0 0 PRESSAVG: 590600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 590600 0 0 0 0 0 0 0 0 0 TIMING: 590600 CPU: 2335.61, 0.00394945/step Wall: 2335.61, 0.00394945/step, 2.09474 hours remaining, 112.171875 MB of memory in use. ENERGY: 590600 666.8420 1857.3394 1984.4594 104.8545 1.3151 -1074.9900 0.0000 0.0000 2771.1500 6310.9705 306.0812 3539.8205 6343.4769 305.4913 PRESSURE: 590800 0 0 0 0 0 0 0 0 0 GPRESSURE: 590800 0 0 0 0 0 0 0 0 0 PRESSAVG: 590800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 590800 0 0 0 0 0 0 0 0 0 TIMING: 590800 CPU: 2336.4, 0.0039481/step Wall: 2336.4, 0.0039481/step, 2.09381 hours remaining, 112.171875 MB of memory in use. ENERGY: 590800 682.2945 1829.0944 2020.3960 111.6604 0.8803 -1106.5469 0.0000 0.0000 2738.4402 6276.2190 302.4683 3537.7789 6312.7403 301.6758 PRESSURE: 591000 0 0 0 0 0 0 0 0 0 GPRESSURE: 591000 0 0 0 0 0 0 0 0 0 PRESSAVG: 591000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 591000 0 0 0 0 0 0 0 0 0 TIMING: 591000 CPU: 2337.19, 0.00394885/step Wall: 2337.19, 0.00394885/step, 2.09399 hours remaining, 112.171875 MB of memory in use. ENERGY: 591000 657.8967 1912.9919 2040.4698 112.7546 0.2479 -1083.6839 0.0000 0.0000 2691.9354 6332.6124 297.3318 3640.6770 6363.6308 301.2897 PRESSURE: 591200 0 0 0 0 0 0 0 0 0 GPRESSURE: 591200 0 0 0 0 0 0 0 0 0 PRESSAVG: 591200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 591200 0 0 0 0 0 0 0 0 0 TIMING: 591200 CPU: 2337.98, 0.00394874/step Wall: 2337.98, 0.00394874/step, 2.09371 hours remaining, 112.171875 MB of memory in use. ENERGY: 591200 651.5820 1869.6079 2014.9093 102.3262 0.7340 -1064.9041 0.0000 0.0000 2756.5289 6330.7841 304.4663 3574.2552 6361.8711 302.2662 PRESSURE: 591400 0 0 0 0 0 0 0 0 0 GPRESSURE: 591400 0 0 0 0 0 0 0 0 0 PRESSAVG: 591400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 591400 0 0 0 0 0 0 0 0 0 TIMING: 591400 CPU: 2338.77, 0.00395504/step Wall: 2338.77, 0.00395504/step, 2.09683 hours remaining, 112.171875 MB of memory in use. ENERGY: 591400 664.2940 1853.9081 1979.3431 103.3918 1.0657 -1112.8793 0.0000 0.0000 2785.9336 6275.0570 307.7141 3489.1233 6310.2246 304.0331 PRESSURE: 591600 0 0 0 0 0 0 0 0 0 GPRESSURE: 591600 0 0 0 0 0 0 0 0 0 PRESSAVG: 591600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 591600 0 0 0 0 0 0 0 0 0 TIMING: 591600 CPU: 2339.56, 0.00394717/step Wall: 2339.56, 0.00394717/step, 2.09244 hours remaining, 112.171875 MB of memory in use. ENERGY: 591600 670.2449 1816.0821 2013.5708 101.7773 1.4629 -1084.1628 0.0000 0.0000 2707.1932 6226.1684 299.0170 3518.9752 6257.2234 298.4027 PRESSURE: 591800 0 0 0 0 0 0 0 0 0 GPRESSURE: 591800 0 0 0 0 0 0 0 0 0 PRESSAVG: 591800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 591800 0 0 0 0 0 0 0 0 0 TIMING: 591800 CPU: 2340.35, 0.00394585/step Wall: 2340.35, 0.00394585/step, 2.09152 hours remaining, 112.171875 MB of memory in use. ENERGY: 591800 656.2590 1829.6906 2009.7324 105.3179 -0.6908 -1062.3446 0.0000 0.0000 2678.4919 6216.4563 295.8469 3537.9644 6248.9691 297.3734 PRESSURE: 592000 0 0 0 0 0 0 0 0 0 GPRESSURE: 592000 0 0 0 0 0 0 0 0 0 PRESSAVG: 592000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 592000 0 0 0 0 0 0 0 0 0 TIMING: 592000 CPU: 2341.14, 0.00394694/step Wall: 2341.14, 0.00394694/step, 2.09188 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 592000 620.5815 1858.6719 2018.5783 110.4631 1.0463 -1070.4037 0.0000 0.0000 2720.2219 6259.1594 300.4561 3538.9375 6293.2127 298.2893 PRESSURE: 592200 0 0 0 0 0 0 0 0 0 GPRESSURE: 592200 0 0 0 0 0 0 0 0 0 PRESSAVG: 592200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 592200 0 0 0 0 0 0 0 0 0 TIMING: 592200 CPU: 2341.93, 0.00394489/step Wall: 2341.93, 0.00394489/step, 2.09057 hours remaining, 112.171875 MB of memory in use. ENERGY: 592200 669.7511 1827.2063 2004.6708 105.0778 0.1668 -1083.3020 0.0000 0.0000 2790.9264 6314.4971 308.2656 3523.5707 6349.2715 302.7150 LDB: ============= START OF LOAD BALANCING ============== 2344.89 LDB: ============== END OF LOAD BALANCING =============== 2344.89 LDB: =============== DONE WITH MIGRATION ================ 2344.89 LDB: ============= START OF LOAD BALANCING ============== 2345.28 LDB: ============== END OF LOAD BALANCING =============== 2345.28 LDB: =============== DONE WITH MIGRATION ================ 2345.28 PRESSURE: 592400 0 0 0 0 0 0 0 0 0 GPRESSURE: 592400 0 0 0 0 0 0 0 0 0 PRESSAVG: 592400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 592400 0 0 0 0 0 0 0 0 0 TIMING: 592400 CPU: 2342.72, 0.00394966/step Wall: 2342.72, 0.00394966/step, 2.09288 hours remaining, 112.171875 MB of memory in use. ENERGY: 592400 650.2182 1829.3937 1998.3859 114.2531 1.6246 -1030.7755 0.0000 0.0000 2736.9210 6300.0210 302.3006 3563.1000 6334.0742 302.9701 PRESSURE: 592600 0 0 0 0 0 0 0 0 0 GPRESSURE: 592600 0 0 0 0 0 0 0 0 0 PRESSAVG: 592600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 592600 0 0 0 0 0 0 0 0 0 TIMING: 592600 CPU: 2343.51, 0.00394536/step Wall: 2343.51, 0.00394536/step, 2.09039 hours remaining, 112.171875 MB of memory in use. ENERGY: 592600 638.9265 1830.8247 1975.2492 108.1596 2.8617 -1065.4506 0.0000 0.0000 2796.5632 6287.1343 308.8882 3490.5711 6320.4100 301.8364 PRESSURE: 592800 0 0 0 0 0 0 0 0 0 GPRESSURE: 592800 0 0 0 0 0 0 0 0 0 PRESSAVG: 592800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 592800 0 0 0 0 0 0 0 0 0 TIMING: 592800 CPU: 2344.3, 0.0039442/step Wall: 2344.3, 0.0039442/step, 2.08955 hours remaining, 112.171875 MB of memory in use. ENERGY: 592800 661.0765 1875.2078 2017.7606 98.6405 1.2982 -1074.0495 0.0000 0.0000 2728.5359 6308.4700 301.3744 3579.9341 6344.4220 302.4919 PRESSURE: 593000 0 0 0 0 0 0 0 0 0 GPRESSURE: 593000 0 0 0 0 0 0 0 0 0 PRESSAVG: 593000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 593000 0 0 0 0 0 0 0 0 0 TIMING: 593000 CPU: 2345.08, 0.00394575/step Wall: 2345.08, 0.00394575/step, 2.09015 hours remaining, 112.171875 MB of memory in use. ENERGY: 593000 664.6153 1857.8394 2037.4209 107.3858 3.0548 -1066.1434 0.0000 0.0000 2724.7036 6328.8763 300.9511 3604.1727 6362.1756 301.7528 PRESSURE: 593200 0 0 0 0 0 0 0 0 0 GPRESSURE: 593200 0 0 0 0 0 0 0 0 0 PRESSAVG: 593200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 593200 0 0 0 0 0 0 0 0 0 TIMING: 593200 CPU: 2345.87, 0.00394501/step Wall: 2345.87, 0.003945/step, 2.08954 hours remaining, 112.171875 MB of memory in use. ENERGY: 593200 645.6178 1826.2871 2027.3218 108.4303 2.8272 -1008.0731 0.0000 0.0000 2715.7329 6318.1440 299.9603 3602.4112 6348.7258 301.8460 PRESSURE: 593400 0 0 0 0 0 0 0 0 0 GPRESSURE: 593400 0 0 0 0 0 0 0 0 0 PRESSAVG: 593400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 593400 0 0 0 0 0 0 0 0 0 TIMING: 593400 CPU: 2346.66, 0.00394551/step Wall: 2346.66, 0.00394552/step, 2.08959 hours remaining, 112.171875 MB of memory in use. ENERGY: 593400 624.3594 1882.9869 2003.9434 107.4525 2.5119 -1035.9599 0.0000 0.0000 2702.3396 6287.6337 298.4809 3585.2942 6320.7981 302.1627 PRESSURE: 593600 0 0 0 0 0 0 0 0 0 GPRESSURE: 593600 0 0 0 0 0 0 0 0 0 PRESSAVG: 593600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 593600 0 0 0 0 0 0 0 0 0 TIMING: 593600 CPU: 2347.45, 0.00394669/step Wall: 2347.45, 0.00394669/step, 2.08999 hours remaining, 112.171875 MB of memory in use. ENERGY: 593600 642.5408 1889.8224 1996.1355 105.1993 0.3990 -1052.5296 0.0000 0.0000 2683.6117 6265.1791 296.4124 3581.5673 6296.7571 301.2464 PRESSURE: 593800 0 0 0 0 0 0 0 0 0 GPRESSURE: 593800 0 0 0 0 0 0 0 0 0 PRESSAVG: 593800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 593800 0 0 0 0 0 0 0 0 0 TIMING: 593800 CPU: 2348.24, 0.00394635/step Wall: 2348.24, 0.00394635/step, 2.08959 hours remaining, 112.171875 MB of memory in use. ENERGY: 593800 653.1756 1873.0959 1993.7550 109.3289 3.1897 -1047.1698 0.0000 0.0000 2658.0259 6243.4012 293.5864 3585.3754 6276.4655 298.9929 PRESSURE: 594000 0 0 0 0 0 0 0 0 0 GPRESSURE: 594000 0 0 0 0 0 0 0 0 0 PRESSAVG: 594000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 594000 0 0 0 0 0 0 0 0 0 TIMING: 594000 CPU: 2349.03, 0.00394648/step Wall: 2349.03, 0.00394647/step, 2.08944 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 594000 667.3901 1838.6442 1995.2094 112.1827 1.2326 -1060.3311 0.0000 0.0000 2674.6036 6228.9315 295.4174 3554.3279 6258.0931 299.9989 PRESSURE: 594200 0 0 0 0 0 0 0 0 0 GPRESSURE: 594200 0 0 0 0 0 0 0 0 0 PRESSAVG: 594200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 594200 0 0 0 0 0 0 0 0 0 TIMING: 594200 CPU: 2349.82, 0.00394521/step Wall: 2349.82, 0.00394522/step, 2.08855 hours remaining, 112.171875 MB of memory in use. ENERGY: 594200 617.3756 1856.9579 2008.1802 114.5962 2.2225 -1015.3729 0.0000 0.0000 2653.9524 6237.9118 293.1364 3583.9595 6269.8477 298.0494 PRESSURE: 594400 0 0 0 0 0 0 0 0 0 GPRESSURE: 594400 0 0 0 0 0 0 0 0 0 PRESSAVG: 594400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 594400 0 0 0 0 0 0 0 0 0 TIMING: 594400 CPU: 2350.61, 0.00394504/step Wall: 2350.61, 0.00394504/step, 2.08824 hours remaining, 112.171875 MB of memory in use. ENERGY: 594400 681.5932 1834.7343 1999.4044 121.7537 0.5654 -1064.2211 0.0000 0.0000 2687.8516 6261.6816 296.8807 3573.8299 6293.4924 298.6920 PRESSURE: 594600 0 0 0 0 0 0 0 0 0 GPRESSURE: 594600 0 0 0 0 0 0 0 0 0 PRESSAVG: 594600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 594600 0 0 0 0 0 0 0 0 0 TIMING: 594600 CPU: 2351.4, 0.00394488/step Wall: 2351.4, 0.00394488/step, 2.08793 hours remaining, 112.171875 MB of memory in use. ENERGY: 594600 637.0063 1826.6799 2007.2347 133.0671 0.8404 -1039.8813 0.0000 0.0000 2729.2191 6294.1663 301.4499 3564.9471 6328.2153 299.6443 PRESSURE: 594800 0 0 0 0 0 0 0 0 0 GPRESSURE: 594800 0 0 0 0 0 0 0 0 0 PRESSAVG: 594800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 594800 0 0 0 0 0 0 0 0 0 TIMING: 594800 CPU: 2352.19, 0.00394451/step Wall: 2352.19, 0.00394451/step, 2.08752 hours remaining, 112.171875 MB of memory in use. ENERGY: 594800 660.4070 1901.0165 2006.9887 114.8962 0.7809 -1062.1311 0.0000 0.0000 2656.6264 6278.5846 293.4318 3621.9583 6310.7129 299.9457 PRESSURE: 595000 0 0 0 0 0 0 0 0 0 GPRESSURE: 595000 0 0 0 0 0 0 0 0 0 PRESSAVG: 595000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 595000 0 0 0 0 0 0 0 0 0 TIMING: 595000 CPU: 2352.98, 0.00394495/step Wall: 2352.98, 0.00394495/step, 2.08754 hours remaining, 112.171875 MB of memory in use. ENERGY: 595000 625.6382 1877.0220 1999.0391 99.6647 0.5153 -1050.2544 0.0000 0.0000 2705.1758 6256.8008 298.7942 3551.6249 6286.9998 298.8938 PRESSURE: 595200 0 0 0 0 0 0 0 0 0 GPRESSURE: 595200 0 0 0 0 0 0 0 0 0 PRESSAVG: 595200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 595200 0 0 0 0 0 0 0 0 0 TIMING: 595200 CPU: 2353.76, 0.00394578/step Wall: 2353.76, 0.00394578/step, 2.08776 hours remaining, 112.171875 MB of memory in use. ENERGY: 595200 650.5323 1831.7755 1982.3689 107.1682 2.7392 -1038.5954 0.0000 0.0000 2732.2662 6268.2550 301.7864 3535.9887 6302.6956 299.2193 PRESSURE: 595400 0 0 0 0 0 0 0 0 0 GPRESSURE: 595400 0 0 0 0 0 0 0 0 0 PRESSAVG: 595400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 595400 0 0 0 0 0 0 0 0 0 TIMING: 595400 CPU: 2354.55, 0.00394563/step Wall: 2354.55, 0.00394563/step, 2.08746 hours remaining, 112.171875 MB of memory in use. ENERGY: 595400 644.7520 1814.4593 1998.5385 104.8693 2.2997 -1048.1610 0.0000 0.0000 2713.6653 6230.4229 299.7319 3516.7576 6262.1582 299.7403 PRESSURE: 595600 0 0 0 0 0 0 0 0 0 GPRESSURE: 595600 0 0 0 0 0 0 0 0 0 PRESSAVG: 595600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 595600 0 0 0 0 0 0 0 0 0 TIMING: 595600 CPU: 2355.34, 0.00394478/step Wall: 2355.34, 0.00394477/step, 2.08679 hours remaining, 112.171875 MB of memory in use. ENERGY: 595600 647.7698 1836.2689 1962.5390 114.3485 0.4745 -1097.1545 0.0000 0.0000 2707.8315 6172.0776 299.0875 3464.2462 6209.2283 297.5730 PRESSURE: 595800 0 0 0 0 0 0 0 0 0 GPRESSURE: 595800 0 0 0 0 0 0 0 0 0 PRESSAVG: 595800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 595800 0 0 0 0 0 0 0 0 0 TIMING: 595800 CPU: 2356.13, 0.00394441/step Wall: 2356.13, 0.00394441/step, 2.08638 hours remaining, 112.171875 MB of memory in use. ENERGY: 595800 621.7853 1821.7165 1963.5448 107.6987 1.0927 -1049.0059 0.0000 0.0000 2629.2195 6096.0516 290.4046 3466.8321 6130.1353 293.4643 PRESSURE: 596000 0 0 0 0 0 0 0 0 0 GPRESSURE: 596000 0 0 0 0 0 0 0 0 0 PRESSAVG: 596000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 596000 0 0 0 0 0 0 0 0 0 TIMING: 596000 CPU: 2356.92, 0.00394575/step Wall: 2356.92, 0.00394575/step, 2.08687 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 596000 622.8597 1844.7561 1987.6340 90.6442 0.6760 -1065.6323 0.0000 0.0000 2608.8392 6089.7770 288.1536 3480.9378 6119.9191 291.1061 PRESSURE: 596200 0 0 0 0 0 0 0 0 0 GPRESSURE: 596200 0 0 0 0 0 0 0 0 0 PRESSAVG: 596200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 596200 0 0 0 0 0 0 0 0 0 TIMING: 596200 CPU: 2357.71, 0.00394661/step Wall: 2357.71, 0.0039466/step, 2.0871 hours remaining, 112.171875 MB of memory in use. ENERGY: 596200 661.2152 1797.0486 1978.0812 102.2527 0.0492 -1088.7584 0.0000 0.0000 2638.1546 6088.0430 291.3915 3449.8884 6118.9391 290.8646 LDB: ============= START OF LOAD BALANCING ============== 2360.67 LDB: ============== END OF LOAD BALANCING =============== 2360.67 LDB: =============== DONE WITH MIGRATION ================ 2360.67 LDB: ============= START OF LOAD BALANCING ============== 2361.06 LDB: ============== END OF LOAD BALANCING =============== 2361.06 LDB: =============== DONE WITH MIGRATION ================ 2361.06 PRESSURE: 596400 0 0 0 0 0 0 0 0 0 GPRESSURE: 596400 0 0 0 0 0 0 0 0 0 PRESSAVG: 596400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 596400 0 0 0 0 0 0 0 0 0 TIMING: 596400 CPU: 2358.5, 0.00395085/step Wall: 2358.5, 0.00395086/step, 2.08912 hours remaining, 112.171875 MB of memory in use. ENERGY: 596400 631.0589 1842.5453 1986.0597 94.2860 1.0903 -1068.8185 0.0000 0.0000 2653.6043 6139.8259 293.0980 3486.2216 6173.3219 293.3997 PRESSURE: 596600 0 0 0 0 0 0 0 0 0 GPRESSURE: 596600 0 0 0 0 0 0 0 0 0 PRESSAVG: 596600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 596600 0 0 0 0 0 0 0 0 0 TIMING: 596600 CPU: 2359.29, 0.00394607/step Wall: 2359.29, 0.00394607/step, 2.08638 hours remaining, 112.171875 MB of memory in use. ENERGY: 596600 657.6338 1792.3314 2017.4987 109.9577 0.8677 -1077.0980 0.0000 0.0000 2661.2675 6162.4588 293.9444 3501.1913 6194.7198 293.3311 PRESSURE: 596800 0 0 0 0 0 0 0 0 0 GPRESSURE: 596800 0 0 0 0 0 0 0 0 0 PRESSAVG: 596800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 596800 0 0 0 0 0 0 0 0 0 TIMING: 596800 CPU: 2360.08, 0.00394511/step Wall: 2360.08, 0.00394511/step, 2.08565 hours remaining, 112.171875 MB of memory in use. ENERGY: 596800 608.3248 1809.4069 2011.7543 116.5284 0.8294 -1067.3142 0.0000 0.0000 2679.1670 6158.6968 295.9215 3479.5298 6190.8117 293.6109 PRESSURE: 597000 0 0 0 0 0 0 0 0 0 GPRESSURE: 597000 0 0 0 0 0 0 0 0 0 PRESSAVG: 597000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 597000 0 0 0 0 0 0 0 0 0 TIMING: 597000 CPU: 2360.87, 0.00394445/step Wall: 2360.87, 0.00394445/step, 2.08508 hours remaining, 112.171875 MB of memory in use. ENERGY: 597000 643.2743 1826.3633 2007.8322 116.3008 1.5362 -1049.9489 0.0000 0.0000 2606.7053 6152.0632 287.9179 3545.3579 6183.7768 294.9764 PRESSURE: 597200 0 0 0 0 0 0 0 0 0 GPRESSURE: 597200 0 0 0 0 0 0 0 0 0 PRESSAVG: 597200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 597200 0 0 0 0 0 0 0 0 0 TIMING: 597200 CPU: 2361.66, 0.00394542/step Wall: 2361.66, 0.00394542/step, 2.08538 hours remaining, 112.171875 MB of memory in use. ENERGY: 597200 643.5242 1832.9020 2002.4496 117.3855 1.9583 -1102.4627 0.0000 0.0000 2726.6704 6222.4272 301.1683 3495.7568 6254.0198 295.8239 PRESSURE: 597400 0 0 0 0 0 0 0 0 0 GPRESSURE: 597400 0 0 0 0 0 0 0 0 0 PRESSAVG: 597400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 597400 0 0 0 0 0 0 0 0 0 TIMING: 597400 CPU: 2362.44, 0.00394348/step Wall: 2362.44, 0.00394348/step, 2.08413 hours remaining, 112.171875 MB of memory in use. ENERGY: 597400 684.5440 1811.0126 2007.9374 115.7795 0.6156 -1072.7451 0.0000 0.0000 2694.4559 6241.5999 297.6102 3547.1440 6274.4852 298.4578 PRESSURE: 597600 0 0 0 0 0 0 0 0 0 GPRESSURE: 597600 0 0 0 0 0 0 0 0 0 PRESSAVG: 597600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 597600 0 0 0 0 0 0 0 0 0 TIMING: 597600 CPU: 2363.23, 0.00394323/step Wall: 2363.23, 0.00394323/step, 2.08378 hours remaining, 112.171875 MB of memory in use. ENERGY: 597600 654.2357 1839.7806 2015.9245 111.2311 1.8810 -1067.5704 0.0000 0.0000 2679.8690 6235.3514 295.9990 3555.4824 6267.5922 299.2280 PRESSURE: 597800 0 0 0 0 0 0 0 0 0 GPRESSURE: 597800 0 0 0 0 0 0 0 0 0 PRESSAVG: 597800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 597800 0 0 0 0 0 0 0 0 0 TIMING: 597800 CPU: 2364.02, 0.00394552/step Wall: 2364.02, 0.00394552/step, 2.08477 hours remaining, 112.171875 MB of memory in use. ENERGY: 597800 632.3043 1807.6784 1979.6278 96.4131 0.8664 -1025.5740 0.0000 0.0000 2762.6715 6253.9875 305.1448 3491.3160 6288.0797 298.4339 PRESSURE: 598000 0 0 0 0 0 0 0 0 0 GPRESSURE: 598000 0 0 0 0 0 0 0 0 0 PRESSAVG: 598000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 598000 0 0 0 0 0 0 0 0 0 TIMING: 598000 CPU: 2364.81, 0.00394444/step Wall: 2364.81, 0.00394444/step, 2.08398 hours remaining, 112.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 598000 652.9838 1888.2981 1987.1844 109.7753 -0.3770 -1057.3534 0.0000 0.0000 2731.4749 6311.9861 301.6990 3580.5112 6344.5912 300.7240 PRESSURE: 598200 0 0 0 0 0 0 0 0 0 GPRESSURE: 598200 0 0 0 0 0 0 0 0 0 PRESSAVG: 598200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 598200 0 0 0 0 0 0 0 0 0 TIMING: 598200 CPU: 2365.6, 0.00394668/step Wall: 2365.6, 0.00394668/step, 2.08494 hours remaining, 112.171875 MB of memory in use. ENERGY: 598200 639.1831 1891.4635 2027.9643 111.9820 2.2142 -1041.6820 0.0000 0.0000 2690.2583 6321.3834 297.1465 3631.1250 6355.5387 303.3468 PRESSURE: 598400 0 0 0 0 0 0 0 0 0 GPRESSURE: 598400 0 0 0 0 0 0 0 0 0 PRESSAVG: 598400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 598400 0 0 0 0 0 0 0 0 0 TIMING: 598400 CPU: 2366.39, 0.00394799/step Wall: 2366.39, 0.00394799/step, 2.08541 hours remaining, 112.171875 MB of memory in use. ENERGY: 598400 711.0097 1813.6147 1992.3357 112.4653 0.7518 -1063.0034 0.0000 0.0000 2786.5862 6353.7601 307.7862 3567.1739 6386.6521 302.8412 PRESSURE: 598600 0 0 0 0 0 0 0 0 0 GPRESSURE: 598600 0 0 0 0 0 0 0 0 0 PRESSAVG: 598600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 598600 0 0 0 0 0 0 0 0 0 TIMING: 598600 CPU: 2367.18, 0.00394493/step Wall: 2367.18, 0.00394493/step, 2.08358 hours remaining, 112.171875 MB of memory in use. ENERGY: 598600 682.2901 1807.4876 2008.1874 104.1716 0.1024 -1048.2764 0.0000 0.0000 2796.4645 6350.4273 308.8773 3553.9628 6386.2423 303.2465 PRESSURE: 598800 0 0 0 0 0 0 0 0 0 GPRESSURE: 598800 0 0 0 0 0 0 0 0 0 PRESSAVG: 598800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 598800 0 0 0 0 0 0 0 0 0 TIMING: 598800 CPU: 2367.97, 0.00394781/step Wall: 2367.97, 0.00394781/step, 2.08488 hours remaining, 112.171875 MB of memory in use. ENERGY: 598800 687.9782 1840.2042 1982.2420 97.0981 0.0427 -1017.0615 0.0000 0.0000 2736.4541 6326.9577 302.2490 3590.5036 6359.9118 302.8359 PRESSURE: 599000 0 0 0 0 0 0 0 0 0 GPRESSURE: 599000 0 0 0 0 0 0 0 0 0 PRESSAVG: 599000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 599000 0 0 0 0 0 0 0 0 0 TIMING: 599000 CPU: 2368.76, 0.00394793/step Wall: 2368.76, 0.00394793/step, 2.08473 hours remaining, 112.171875 MB of memory in use. ENERGY: 599000 642.0711 1859.7130 2006.3374 98.2052 0.9353 -1020.6549 0.0000 0.0000 2735.4153 6322.0225 302.1342 3586.6072 6354.8640 303.5548 PRESSURE: 599200 0 0 0 0 0 0 0 0 0 GPRESSURE: 599200 0 0 0 0 0 0 0 0 0 PRESSAVG: 599200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 599200 0 0 0 0 0 0 0 0 0 TIMING: 599200 CPU: 2369.55, 0.00394737/step Wall: 2369.55, 0.00394737/step, 2.08421 hours remaining, 112.171875 MB of memory in use. ENERGY: 599200 640.5048 1871.8318 1996.3578 107.7893 1.6654 -1051.9468 0.0000 0.0000 2706.5473 6272.7495 298.9457 3566.2022 6305.0648 302.6883 PRESSURE: 599400 0 0 0 0 0 0 0 0 0 GPRESSURE: 599400 0 0 0 0 0 0 0 0 0 PRESSAVG: 599400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 599400 0 0 0 0 0 0 0 0 0 TIMING: 599400 CPU: 2370.34, 0.00394678/step Wall: 2370.34, 0.00394678/step, 2.08368 hours remaining, 112.171875 MB of memory in use. ENERGY: 599400 642.8701 1871.7645 2002.6677 120.3466 1.5213 -1058.1356 0.0000 0.0000 2711.4951 6292.5297 299.4922 3581.0346 6326.5378 301.7626 PRESSURE: 599600 0 0 0 0 0 0 0 0 0 GPRESSURE: 599600 0 0 0 0 0 0 0 0 0 PRESSAVG: 599600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 599600 0 0 0 0 0 0 0 0 0 TIMING: 599600 CPU: 2371.13, 0.00394451/step Wall: 2371.13, 0.00394451/step, 2.08227 hours remaining, 112.175781 MB of memory in use. ENERGY: 599600 673.7589 1818.1152 2011.2763 104.3716 1.5895 -1049.9841 0.0000 0.0000 2751.1513 6310.2788 303.8723 3559.1275 6345.2718 302.1752 PRESSURE: 599800 0 0 0 0 0 0 0 0 0 GPRESSURE: 599800 0 0 0 0 0 0 0 0 0 PRESSAVG: 599800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 599800 0 0 0 0 0 0 0 0 0 TIMING: 599800 CPU: 2371.92, 0.00394608/step Wall: 2371.92, 0.00394608/step, 2.08288 hours remaining, 112.175781 MB of memory in use. ENERGY: 599800 670.6088 1847.7845 1981.3198 116.6379 0.8541 -1061.9794 0.0000 0.0000 2713.6166 6268.8423 299.7265 3555.2257 6302.0495 301.4094 PRESSURE: 600000 0 0 0 0 0 0 0 0 0 GPRESSURE: 600000 0 0 0 0 0 0 0 0 0 PRESSAVG: 600000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 600000 0 0 0 0 0 0 0 0 0 TIMING: 600000 CPU: 2372.7, 0.00394773/step Wall: 2372.7, 0.00394772/step, 2.08352 hours remaining, 112.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 600000 645.1622 1851.0554 1989.6450 104.9278 0.4288 -1091.2449 0.0000 0.0000 2726.7643 6226.7385 301.1787 3499.9742 6261.3176 299.1217 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 0 0 0 0 0 0 0 0 0 GPRESSURE: 600200 0 0 0 0 0 0 0 0 0 PRESSAVG: 600200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 600200 0 0 0 0 0 0 0 0 0 TIMING: 600200 CPU: 2373.53, 0.00412529/step Wall: 2373.53, 0.0041253/step, 2.17701 hours remaining, 112.175781 MB of memory in use. ENERGY: 600200 678.1736 1852.8753 1985.7574 105.1327 -0.0422 -1055.5989 0.0000 0.0000 2681.8036 6248.1015 296.2127 3566.2980 6278.8534 297.8860 LDB: ============= START OF LOAD BALANCING ============== 2376.49 LDB: ============== END OF LOAD BALANCING =============== 2376.49 LDB: =============== DONE WITH MIGRATION ================ 2376.49 LDB: ============= START OF LOAD BALANCING ============== 2376.88 LDB: ============== END OF LOAD BALANCING =============== 2376.88 LDB: =============== DONE WITH MIGRATION ================ 2376.88 PRESSURE: 600400 0 0 0 0 0 0 0 0 0 GPRESSURE: 600400 0 0 0 0 0 0 0 0 0 PRESSAVG: 600400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 600400 0 0 0 0 0 0 0 0 0 TIMING: 600400 CPU: 2374.32, 0.00395129/step Wall: 2374.32, 0.00395129/step, 2.08496 hours remaining, 112.175781 MB of memory in use. ENERGY: 600400 656.4170 1843.6662 1964.2617 113.9371 0.2194 -1056.4342 0.0000 0.0000 2712.4847 6234.5519 299.6015 3522.0672 6267.5945 297.6638 PRESSURE: 600600 0 0 0 0 0 0 0 0 0 GPRESSURE: 600600 0 0 0 0 0 0 0 0 0 PRESSAVG: 600600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 600600 0 0 0 0 0 0 0 0 0 TIMING: 600600 CPU: 2375.11, 0.00394428/step Wall: 2375.11, 0.00394428/step, 2.08105 hours remaining, 112.175781 MB of memory in use. ENERGY: 600600 661.5168 1855.6773 1997.5342 109.7431 -0.9543 -1074.2148 0.0000 0.0000 2731.1027 6280.4050 301.6579 3549.3023 6315.6514 298.8357 PRESSURE: 600800 0 0 0 0 0 0 0 0 0 GPRESSURE: 600800 0 0 0 0 0 0 0 0 0 PRESSAVG: 600800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 600800 0 0 0 0 0 0 0 0 0 TIMING: 600800 CPU: 2375.9, 0.00394719/step Wall: 2375.9, 0.00394719/step, 2.08236 hours remaining, 112.175781 MB of memory in use. ENERGY: 600800 670.7481 1885.9941 2005.6573 103.6189 0.7804 -1053.0389 0.0000 0.0000 2704.1801 6317.9400 298.6842 3613.7599 6346.9561 303.1371 PRESSURE: 601000 0 0 0 0 0 0 0 0 0 GPRESSURE: 601000 0 0 0 0 0 0 0 0 0 PRESSAVG: 601000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 601000 0 0 0 0 0 0 0 0 0 TIMING: 601000 CPU: 2376.69, 0.00394642/step Wall: 2376.69, 0.00394642/step, 2.08174 hours remaining, 112.175781 MB of memory in use. ENERGY: 601000 623.7237 1864.4443 2038.6805 102.7243 1.4674 -1060.9726 0.0000 0.0000 2728.9514 6299.0190 301.4203 3570.0675 6336.7418 300.5909 PRESSURE: 601200 0 0 0 0 0 0 0 0 0 GPRESSURE: 601200 0 0 0 0 0 0 0 0 0 PRESSAVG: 601200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 601200 0 0 0 0 0 0 0 0 0 TIMING: 601200 CPU: 2377.48, 0.00394497/step Wall: 2377.48, 0.00394497/step, 2.08075 hours remaining, 112.175781 MB of memory in use. ENERGY: 601200 670.4567 1800.9666 2041.4926 121.8409 2.1487 -1075.8746 0.0000 0.0000 2707.5639 6268.5949 299.0580 3561.0309 6298.6726 299.8406 PRESSURE: 601400 0 0 0 0 0 0 0 0 0 GPRESSURE: 601400 0 0 0 0 0 0 0 0 0 PRESSAVG: 601400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 601400 0 0 0 0 0 0 0 0 0 TIMING: 601400 CPU: 2378.27, 0.00394411/step Wall: 2378.27, 0.00394411/step, 2.08008 hours remaining, 112.175781 MB of memory in use. ENERGY: 601400 687.2599 1856.6741 1987.7946 106.5867 0.5479 -1027.5647 0.0000 0.0000 2708.2455 6319.5440 299.1333 3611.2985 6351.3562 301.3676 PRESSURE: 601600 0 0 0 0 0 0 0 0 0 GPRESSURE: 601600 0 0 0 0 0 0 0 0 0 PRESSAVG: 601600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 601600 0 0 0 0 0 0 0 0 0 TIMING: 601600 CPU: 2379.06, 0.00395507/step Wall: 2379.06, 0.00395507/step, 2.08564 hours remaining, 112.175781 MB of memory in use. ENERGY: 601600 664.3375 1862.8533 2021.5188 105.7235 1.0402 -1087.4781 0.0000 0.0000 2741.7770 6309.7721 302.8369 3567.9951 6342.2992 302.5711 PRESSURE: 601800 0 0 0 0 0 0 0 0 0 GPRESSURE: 601800 0 0 0 0 0 0 0 0 0 PRESSAVG: 601800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 601800 0 0 0 0 0 0 0 0 0 TIMING: 601800 CPU: 2379.85, 0.00394729/step Wall: 2379.85, 0.00394729/step, 2.08132 hours remaining, 112.175781 MB of memory in use. ENERGY: 601800 686.2233 1860.5342 2035.1300 111.7400 2.7160 -1079.9359 0.0000 0.0000 2692.0601 6308.4677 297.3455 3616.4076 6339.3589 304.6953 PRESSURE: 602000 0 0 0 0 0 0 0 0 0 GPRESSURE: 602000 0 0 0 0 0 0 0 0 0 PRESSAVG: 602000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 602000 0 0 0 0 0 0 0 0 0 TIMING: 602000 CPU: 2380.64, 0.00394458/step Wall: 2380.64, 0.00394458/step, 2.07967 hours remaining, 112.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 602000 670.7614 1840.6437 1995.6725 100.3756 1.9313 -1064.7933 0.0000 0.0000 2799.2155 6343.8068 309.1812 3544.5913 6381.4664 304.7195 PRESSURE: 602200 0 0 0 0 0 0 0 0 0 GPRESSURE: 602200 0 0 0 0 0 0 0 0 0 PRESSAVG: 602200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 602200 0 0 0 0 0 0 0 0 0 TIMING: 602200 CPU: 2381.43, 0.00395424/step Wall: 2381.43, 0.00395424/step, 2.08454 hours remaining, 112.175781 MB of memory in use. ENERGY: 602200 661.4398 1846.2033 2011.8941 114.5574 1.6228 -1068.9578 0.0000 0.0000 2753.0026 6319.7622 304.0768 3566.7597 6353.3210 303.1690 PRESSURE: 602400 0 0 0 0 0 0 0 0 0 GPRESSURE: 602400 0 0 0 0 0 0 0 0 0 PRESSAVG: 602400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 602400 0 0 0 0 0 0 0 0 0 TIMING: 602400 CPU: 2382.22, 0.00394551/step Wall: 2382.22, 0.00394551/step, 2.07972 hours remaining, 112.175781 MB of memory in use. ENERGY: 602400 635.9513 1819.2036 1996.7019 106.4179 3.1129 -1017.1109 0.0000 0.0000 2735.6114 6279.8883 302.1559 3544.2768 6312.3435 301.4276 PRESSURE: 602600 0 0 0 0 0 0 0 0 0 GPRESSURE: 602600 0 0 0 0 0 0 0 0 0 PRESSAVG: 602600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 602600 0 0 0 0 0 0 0 0 0 TIMING: 602600 CPU: 2383, 0.0039472/step Wall: 2383, 0.0039472/step, 2.08039 hours remaining, 112.175781 MB of memory in use. ENERGY: 602600 706.2717 1896.9489 2022.0646 109.4476 3.8343 -1075.7007 0.0000 0.0000 2644.9226 6307.7888 292.1391 3662.8663 6338.2864 301.9397 PRESSURE: 602800 0 0 0 0 0 0 0 0 0 GPRESSURE: 602800 0 0 0 0 0 0 0 0 0 PRESSAVG: 602800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 602800 0 0 0 0 0 0 0 0 0 TIMING: 602800 CPU: 2383.79, 0.00394699/step Wall: 2383.79, 0.00394699/step, 2.08007 hours remaining, 112.175781 MB of memory in use. ENERGY: 602800 669.1849 1845.7787 1999.0434 105.4117 1.6835 -1078.5991 0.0000 0.0000 2796.1409 6338.6440 308.8416 3542.5031 6371.0153 303.1739 PRESSURE: 603000 0 0 0 0 0 0 0 0 0 GPRESSURE: 603000 0 0 0 0 0 0 0 0 0 PRESSAVG: 603000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 603000 0 0 0 0 0 0 0 0 0 TIMING: 603000 CPU: 2384.58, 0.003947/step Wall: 2384.58, 0.003947/step, 2.07985 hours remaining, 112.179688 MB of memory in use. ENERGY: 603000 675.2290 1855.1275 1995.0928 111.4118 2.0645 -1030.3901 0.0000 0.0000 2711.0195 6319.5550 299.4397 3608.5355 6350.4115 304.1622 PRESSURE: 603200 0 0 0 0 0 0 0 0 0 GPRESSURE: 603200 0 0 0 0 0 0 0 0 0 PRESSAVG: 603200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 603200 0 0 0 0 0 0 0 0 0 TIMING: 603200 CPU: 2385.37, 0.00394381/step Wall: 2385.37, 0.00394381/step, 2.07795 hours remaining, 112.179688 MB of memory in use. ENERGY: 603200 646.7327 1838.8664 2011.7698 100.7265 2.5092 -1029.7381 0.0000 0.0000 2783.4004 6354.2670 307.4343 3570.8666 6388.3372 305.3268 PRESSURE: 603400 0 0 0 0 0 0 0 0 0 GPRESSURE: 603400 0 0 0 0 0 0 0 0 0 PRESSAVG: 603400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 603400 0 0 0 0 0 0 0 0 0 TIMING: 603400 CPU: 2386.16, 0.00394125/step Wall: 2386.16, 0.00394125/step, 2.07638 hours remaining, 112.179688 MB of memory in use. ENERGY: 603400 691.8329 1901.2825 2010.6853 113.7915 1.1309 -1049.2081 0.0000 0.0000 2732.5894 6402.1044 301.8221 3669.5149 6434.6173 307.4076 PRESSURE: 603600 0 0 0 0 0 0 0 0 0 GPRESSURE: 603600 0 0 0 0 0 0 0 0 0 PRESSAVG: 603600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 603600 0 0 0 0 0 0 0 0 0 TIMING: 603600 CPU: 2386.95, 0.00394408/step Wall: 2386.95, 0.00394408/step, 2.07766 hours remaining, 112.179688 MB of memory in use. ENERGY: 603600 671.0689 1806.8193 1991.1619 116.8197 0.9931 -1081.2204 0.0000 0.0000 2795.0645 6300.7069 308.7227 3505.6424 6336.8314 306.1978 PRESSURE: 603800 0 0 0 0 0 0 0 0 0 GPRESSURE: 603800 0 0 0 0 0 0 0 0 0 PRESSAVG: 603800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 603800 0 0 0 0 0 0 0 0 0 TIMING: 603800 CPU: 2387.74, 0.00394539/step Wall: 2387.74, 0.00394539/step, 2.07812 hours remaining, 112.179688 MB of memory in use. ENERGY: 603800 659.0644 1883.2119 1995.0818 117.0167 1.8988 -1035.1959 0.0000 0.0000 2750.5356 6371.6131 303.8043 3621.0776 6403.9579 305.4718 PRESSURE: 604000 0 0 0 0 0 0 0 0 0 GPRESSURE: 604000 0 0 0 0 0 0 0 0 0 PRESSAVG: 604000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 604000 0 0 0 0 0 0 0 0 0 TIMING: 604000 CPU: 2388.53, 0.00394453/step Wall: 2388.53, 0.00394453/step, 2.07745 hours remaining, 112.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 604000 683.2708 1861.8954 1960.4423 108.1462 0.7731 -1081.1603 0.0000 0.0000 2809.0146 6342.3822 310.2635 3533.3676 6375.3840 307.4912 PRESSURE: 604200 0 0 0 0 0 0 0 0 0 GPRESSURE: 604200 0 0 0 0 0 0 0 0 0 PRESSAVG: 604200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 604200 0 0 0 0 0 0 0 0 0 TIMING: 604200 CPU: 2389.32, 0.00394035/step Wall: 2389.32, 0.00394035/step, 2.07503 hours remaining, 112.179688 MB of memory in use. ENERGY: 604200 655.5933 1878.9789 1980.5197 122.4174 1.2799 -1038.7214 0.0000 0.0000 2702.5260 6302.5938 298.5015 3600.0678 6334.5589 305.1584 LDB: ============= START OF LOAD BALANCING ============== 2392.27 LDB: ============== END OF LOAD BALANCING =============== 2392.27 LDB: =============== DONE WITH MIGRATION ================ 2392.27 LDB: ============= START OF LOAD BALANCING ============== 2392.67 LDB: ============== END OF LOAD BALANCING =============== 2392.67 LDB: =============== DONE WITH MIGRATION ================ 2392.67 PRESSURE: 604400 0 0 0 0 0 0 0 0 0 GPRESSURE: 604400 0 0 0 0 0 0 0 0 0 PRESSAVG: 604400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 604400 0 0 0 0 0 0 0 0 0 TIMING: 604400 CPU: 2390.1, 0.00394867/step Wall: 2390.1, 0.00394867/step, 2.07919 hours remaining, 112.179688 MB of memory in use. ENERGY: 604400 639.0358 1855.6647 2004.5766 105.2378 1.0221 -1031.9126 0.0000 0.0000 2763.5389 6337.1633 305.2406 3573.6244 6370.5135 303.8319 PRESSURE: 604600 0 0 0 0 0 0 0 0 0 GPRESSURE: 604600 0 0 0 0 0 0 0 0 0 PRESSAVG: 604600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 604600 0 0 0 0 0 0 0 0 0 TIMING: 604600 CPU: 2390.89, 0.00394387/step Wall: 2390.89, 0.00394387/step, 2.07645 hours remaining, 112.179688 MB of memory in use. ENERGY: 604600 632.7418 1858.0864 1996.0180 113.4122 0.0321 -1037.2251 0.0000 0.0000 2747.5590 6310.6244 303.4755 3563.0653 6342.9234 301.5381 PRESSURE: 604800 0 0 0 0 0 0 0 0 0 GPRESSURE: 604800 0 0 0 0 0 0 0 0 0 PRESSAVG: 604800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 604800 0 0 0 0 0 0 0 0 0 TIMING: 604800 CPU: 2391.68, 0.00394437/step Wall: 2391.68, 0.00394437/step, 2.07649 hours remaining, 112.179688 MB of memory in use. ENERGY: 604800 730.8907 1865.9269 1996.8024 102.5773 0.5766 -1106.9751 0.0000 0.0000 2710.9610 6300.7600 299.4332 3589.7990 6332.6249 302.3776 PRESSURE: 605000 0 0 0 0 0 0 0 0 0 GPRESSURE: 605000 0 0 0 0 0 0 0 0 0 PRESSAVG: 605000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 605000 0 0 0 0 0 0 0 0 0 TIMING: 605000 CPU: 2392.47, 0.00394384/step Wall: 2392.47, 0.00394384/step, 2.07599 hours remaining, 112.179688 MB of memory in use. ENERGY: 605000 659.4259 1811.3891 1976.1138 117.8064 1.3864 -1053.2172 0.0000 0.0000 2785.8302 6298.7346 307.7027 3512.9045 6331.5078 302.1099 PRESSURE: 605200 0 0 0 0 0 0 0 0 0 GPRESSURE: 605200 0 0 0 0 0 0 0 0 0 PRESSAVG: 605200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 605200 0 0 0 0 0 0 0 0 0 TIMING: 605200 CPU: 2393.26, 0.00394144/step Wall: 2393.26, 0.00394144/step, 2.07451 hours remaining, 112.179688 MB of memory in use. ENERGY: 605200 663.8565 1870.9406 1985.9047 117.6555 -0.0628 -1069.9622 0.0000 0.0000 2763.7131 6332.0453 305.2598 3568.3322 6367.1684 303.2333 PRESSURE: 605400 0 0 0 0 0 0 0 0 0 GPRESSURE: 605400 0 0 0 0 0 0 0 0 0 PRESSAVG: 605400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 605400 0 0 0 0 0 0 0 0 0 TIMING: 605400 CPU: 2394.05, 0.00394384/step Wall: 2394.05, 0.00394384/step, 2.07555 hours remaining, 112.183594 MB of memory in use. ENERGY: 605400 655.1499 1882.6455 1994.3502 101.9748 1.2669 -1061.4797 0.0000 0.0000 2768.6198 6342.5274 305.8018 3573.9076 6377.8760 304.9511 PRESSURE: 605600 0 0 0 0 0 0 0 0 0 GPRESSURE: 605600 0 0 0 0 0 0 0 0 0 PRESSAVG: 605600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 605600 0 0 0 0 0 0 0 0 0 TIMING: 605600 CPU: 2394.84, 0.00394352/step Wall: 2394.84, 0.00394352/step, 2.07517 hours remaining, 112.183594 MB of memory in use. ENERGY: 605600 687.2187 1910.3442 2017.9057 101.0750 0.1822 -1081.0564 0.0000 0.0000 2742.3990 6378.0684 302.9056 3635.6694 6411.4554 306.9645 PRESSURE: 605800 0 0 0 0 0 0 0 0 0 GPRESSURE: 605800 0 0 0 0 0 0 0 0 0 PRESSAVG: 605800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 605800 0 0 0 0 0 0 0 0 0 TIMING: 605800 CPU: 2395.63, 0.00394738/step Wall: 2395.63, 0.00394738/step, 2.07698 hours remaining, 112.183594 MB of memory in use. ENERGY: 605800 651.0167 1862.7206 1999.9083 109.5854 2.2426 -1058.9121 0.0000 0.0000 2739.2368 6305.7983 302.5563 3566.5615 6337.9598 304.6527 PRESSURE: 606000 0 0 0 0 0 0 0 0 0 GPRESSURE: 606000 0 0 0 0 0 0 0 0 0 PRESSAVG: 606000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 606000 0 0 0 0 0 0 0 0 0 TIMING: 606000 CPU: 2396.42, 0.00394365/step Wall: 2396.42, 0.00394365/step, 2.0748 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 606000 671.3020 1854.5637 2005.5925 121.4195 -1.3307 -1035.4953 0.0000 0.0000 2696.8600 6312.9118 297.8757 3616.0517 6347.4973 301.7451 PRESSURE: 606200 0 0 0 0 0 0 0 0 0 GPRESSURE: 606200 0 0 0 0 0 0 0 0 0 PRESSAVG: 606200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 606200 0 0 0 0 0 0 0 0 0 TIMING: 606200 CPU: 2397.2, 0.00394215/step Wall: 2397.2, 0.00394215/step, 2.07379 hours remaining, 112.183594 MB of memory in use. ENERGY: 606200 628.1747 1898.5792 1986.1795 100.8536 0.1457 -1026.0171 0.0000 0.0000 2649.7182 6237.6339 292.6688 3587.9157 6268.4297 299.4800 PRESSURE: 606400 0 0 0 0 0 0 0 0 0 GPRESSURE: 606400 0 0 0 0 0 0 0 0 0 PRESSAVG: 606400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 606400 0 0 0 0 0 0 0 0 0 TIMING: 606400 CPU: 2397.99, 0.003943/step Wall: 2397.99, 0.003943/step, 2.07402 hours remaining, 112.183594 MB of memory in use. ENERGY: 606400 656.0163 1886.6955 2020.4884 99.8678 0.6505 -1086.8014 0.0000 0.0000 2725.1857 6302.1026 301.0043 3576.9170 6335.7390 299.9805 PRESSURE: 606600 0 0 0 0 0 0 0 0 0 GPRESSURE: 606600 0 0 0 0 0 0 0 0 0 PRESSAVG: 606600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 606600 0 0 0 0 0 0 0 0 0 TIMING: 606600 CPU: 2398.78, 0.00394444/step Wall: 2398.78, 0.00394444/step, 2.07455 hours remaining, 112.183594 MB of memory in use. ENERGY: 606600 623.9526 1835.4591 1982.5537 114.6134 1.7605 -1057.1895 0.0000 0.0000 2772.3820 6273.5318 306.2173 3501.1498 6308.8668 302.4865 PRESSURE: 606800 0 0 0 0 0 0 0 0 0 GPRESSURE: 606800 0 0 0 0 0 0 0 0 0 PRESSAVG: 606800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 606800 0 0 0 0 0 0 0 0 0 TIMING: 606800 CPU: 2399.57, 0.00394517/step Wall: 2399.57, 0.00394516/step, 2.07472 hours remaining, 112.183594 MB of memory in use. ENERGY: 606800 681.2109 1887.5368 1987.4858 109.9228 2.5154 -1085.9354 0.0000 0.0000 2684.4318 6267.1681 296.5030 3582.7363 6300.6972 302.0526 PRESSURE: 607000 0 0 0 0 0 0 0 0 0 GPRESSURE: 607000 0 0 0 0 0 0 0 0 0 PRESSAVG: 607000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 607000 0 0 0 0 0 0 0 0 0 TIMING: 607000 CPU: 2400.36, 0.00394406/step Wall: 2400.36, 0.00394407/step, 2.07392 hours remaining, 112.183594 MB of memory in use. ENERGY: 607000 691.4249 1861.3142 2021.9845 116.5509 -0.1701 -1067.1001 0.0000 0.0000 2631.7926 6255.7968 290.6888 3624.0043 6288.3398 301.5520 PRESSURE: 607200 0 0 0 0 0 0 0 0 0 GPRESSURE: 607200 0 0 0 0 0 0 0 0 0 PRESSAVG: 607200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 607200 0 0 0 0 0 0 0 0 0 TIMING: 607200 CPU: 2401.15, 0.00394457/step Wall: 2401.15, 0.00394457/step, 2.07396 hours remaining, 112.183594 MB of memory in use. ENERGY: 607200 686.6442 1852.2032 1997.6541 105.5399 -0.2522 -1046.4298 0.0000 0.0000 2643.3109 6238.6701 291.9610 3595.3593 6271.8068 299.7683 PRESSURE: 607400 0 0 0 0 0 0 0 0 0 GPRESSURE: 607400 0 0 0 0 0 0 0 0 0 PRESSAVG: 607400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 607400 0 0 0 0 0 0 0 0 0 TIMING: 607400 CPU: 2401.94, 0.00394588/step Wall: 2401.94, 0.00394588/step, 2.07444 hours remaining, 112.183594 MB of memory in use. ENERGY: 607400 690.7390 1836.5967 1971.8150 97.6396 0.6968 -1056.0168 0.0000 0.0000 2716.6095 6258.0798 300.0571 3541.4703 6291.2528 299.2986 PRESSURE: 607600 0 0 0 0 0 0 0 0 0 GPRESSURE: 607600 0 0 0 0 0 0 0 0 0 PRESSAVG: 607600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 607600 0 0 0 0 0 0 0 0 0 TIMING: 607600 CPU: 2402.73, 0.0039449/step Wall: 2402.73, 0.0039449/step, 2.0737 hours remaining, 112.183594 MB of memory in use. ENERGY: 607600 695.6337 1820.2913 1983.2192 116.0987 -0.8407 -1068.5890 0.0000 0.0000 2732.3001 6278.1133 301.7902 3545.8132 6312.7274 302.5754 PRESSURE: 607800 0 0 0 0 0 0 0 0 0 GPRESSURE: 607800 0 0 0 0 0 0 0 0 0 PRESSAVG: 607800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 607800 0 0 0 0 0 0 0 0 0 TIMING: 607800 CPU: 2403.52, 0.00394666/step Wall: 2403.52, 0.00394666/step, 2.07441 hours remaining, 112.183594 MB of memory in use. ENERGY: 607800 641.0014 1835.2895 1970.2841 107.4179 1.1610 -1060.0712 0.0000 0.0000 2730.6531 6225.7358 301.6082 3495.0826 6258.6960 300.8601 PRESSURE: 608000 0 0 0 0 0 0 0 0 0 GPRESSURE: 608000 0 0 0 0 0 0 0 0 0 PRESSAVG: 608000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 608000 0 0 0 0 0 0 0 0 0 TIMING: 608000 CPU: 2404.3, 0.00394403/step Wall: 2404.3, 0.00394403/step, 2.07281 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 608000 656.9549 1836.3978 1987.1251 109.9355 -0.5624 -1088.8413 0.0000 0.0000 2681.1122 6182.1219 296.1363 3501.0097 6215.3914 298.7452 PRESSURE: 608200 0 0 0 0 0 0 0 0 0 GPRESSURE: 608200 0 0 0 0 0 0 0 0 0 PRESSAVG: 608200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 608200 0 0 0 0 0 0 0 0 0 TIMING: 608200 CPU: 2405.09, 0.00394608/step Wall: 2405.09, 0.00394608/step, 2.07367 hours remaining, 112.183594 MB of memory in use. ENERGY: 608200 637.7782 1851.1892 1972.1085 101.2965 0.2513 -1043.8522 0.0000 0.0000 2678.2947 6197.0663 295.8251 3518.7715 6228.7134 296.9217 LDB: ============= START OF LOAD BALANCING ============== 2408.05 LDB: ============== END OF LOAD BALANCING =============== 2408.05 LDB: =============== DONE WITH MIGRATION ================ 2408.05 LDB: ============= START OF LOAD BALANCING ============== 2408.45 LDB: ============== END OF LOAD BALANCING =============== 2408.45 LDB: =============== DONE WITH MIGRATION ================ 2408.45 PRESSURE: 608400 0 0 0 0 0 0 0 0 0 GPRESSURE: 608400 0 0 0 0 0 0 0 0 0 PRESSAVG: 608400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 608400 0 0 0 0 0 0 0 0 0 TIMING: 608400 CPU: 2405.88, 0.00395046/step Wall: 2405.88, 0.00395046/step, 2.07574 hours remaining, 112.183594 MB of memory in use. ENERGY: 608400 626.9356 1856.4491 1978.3998 105.4764 1.0060 -1031.2431 0.0000 0.0000 2682.8111 6219.8349 296.3240 3537.0238 6251.5356 298.6611 PRESSURE: 608600 0 0 0 0 0 0 0 0 0 GPRESSURE: 608600 0 0 0 0 0 0 0 0 0 PRESSAVG: 608600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 608600 0 0 0 0 0 0 0 0 0 TIMING: 608600 CPU: 2406.67, 0.00394637/step Wall: 2406.67, 0.00394638/step, 2.07338 hours remaining, 112.183594 MB of memory in use. ENERGY: 608600 645.6219 1801.0609 1951.9679 129.5336 1.2684 -1040.5809 0.0000 0.0000 2734.6435 6223.5152 302.0490 3488.8717 6260.7734 299.3556 PRESSURE: 608800 0 0 0 0 0 0 0 0 0 GPRESSURE: 608800 0 0 0 0 0 0 0 0 0 PRESSAVG: 608800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 608800 0 0 0 0 0 0 0 0 0 TIMING: 608800 CPU: 2407.46, 0.00394595/step Wall: 2407.46, 0.00394595/step, 2.07294 hours remaining, 112.183594 MB of memory in use. ENERGY: 608800 648.7731 1837.7172 2003.9561 115.9915 -0.5446 -1037.9955 0.0000 0.0000 2718.9012 6286.7991 300.3102 3567.8979 6320.7962 298.3474 PRESSURE: 609000 0 0 0 0 0 0 0 0 0 GPRESSURE: 609000 0 0 0 0 0 0 0 0 0 PRESSAVG: 609000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 609000 0 0 0 0 0 0 0 0 0 TIMING: 609000 CPU: 2408.25, 0.00394382/step Wall: 2408.25, 0.00394382/step, 2.0716 hours remaining, 112.183594 MB of memory in use. ENERGY: 609000 660.6215 1858.7470 2003.8676 104.4729 0.7683 -1072.6809 0.0000 0.0000 2704.4016 6260.1980 298.7087 3555.7965 6293.2242 299.0710 PRESSURE: 609200 0 0 0 0 0 0 0 0 0 GPRESSURE: 609200 0 0 0 0 0 0 0 0 0 PRESSAVG: 609200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 609200 0 0 0 0 0 0 0 0 0 TIMING: 609200 CPU: 2409.04, 0.00394708/step Wall: 2409.04, 0.00394708/step, 2.07309 hours remaining, 112.183594 MB of memory in use. ENERGY: 609200 662.0632 1826.4653 1997.4170 111.2757 -0.4539 -1057.1806 0.0000 0.0000 2679.5261 6219.1128 295.9611 3539.5867 6251.4230 298.8099 PRESSURE: 609400 0 0 0 0 0 0 0 0 0 GPRESSURE: 609400 0 0 0 0 0 0 0 0 0 PRESSAVG: 609400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 609400 0 0 0 0 0 0 0 0 0 TIMING: 609400 CPU: 2409.83, 0.00394622/step Wall: 2409.83, 0.00394622/step, 2.07242 hours remaining, 112.183594 MB of memory in use. ENERGY: 609400 689.0330 1834.2104 1989.2412 93.5096 -0.6973 -1069.6134 0.0000 0.0000 2671.5025 6207.1861 295.0749 3535.6835 6236.3492 297.1077 PRESSURE: 609600 0 0 0 0 0 0 0 0 0 GPRESSURE: 609600 0 0 0 0 0 0 0 0 0 PRESSAVG: 609600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 609600 0 0 0 0 0 0 0 0 0 TIMING: 609600 CPU: 2410.62, 0.00394773/step Wall: 2410.62, 0.00394773/step, 2.073 hours remaining, 112.183594 MB of memory in use. ENERGY: 609600 628.6804 1795.0850 1992.0131 109.1859 -0.9556 -1033.4805 0.0000 0.0000 2686.6206 6177.1489 296.7447 3490.5283 6208.5505 295.7106 PRESSURE: 609800 0 0 0 0 0 0 0 0 0 GPRESSURE: 609800 0 0 0 0 0 0 0 0 0 PRESSAVG: 609800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 609800 0 0 0 0 0 0 0 0 0 TIMING: 609800 CPU: 2411.41, 0.00394917/step Wall: 2411.41, 0.00394917/step, 2.07353 hours remaining, 112.183594 MB of memory in use. ENERGY: 609800 655.9531 1739.5669 2015.0700 115.3091 0.7249 -1036.4290 0.0000 0.0000 2637.2873 6127.4822 291.2957 3490.1950 6159.5288 293.7060 PRESSURE: 610000 0 0 0 0 0 0 0 0 0 GPRESSURE: 610000 0 0 0 0 0 0 0 0 0 PRESSAVG: 610000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 610000 0 0 0 0 0 0 0 0 0 TIMING: 610000 CPU: 2412.2, 0.0039449/step Wall: 2412.2, 0.0039449/step, 2.07108 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 610000 629.5310 1794.5806 2004.4194 105.0573 1.5559 -1068.6196 0.0000 0.0000 2680.9550 6147.4795 296.1189 3466.5245 6183.2107 294.6592 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 610000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 610000 WRITING COORDINATES TO RESTART FILE AT STEP 610000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 610000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 610200 0 0 0 0 0 0 0 0 0 GPRESSURE: 610200 0 0 0 0 0 0 0 0 0 PRESSAVG: 610200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 610200 0 0 0 0 0 0 0 0 0 TIMING: 610200 CPU: 2413.06, 0.00432495/step Wall: 2413.06, 0.00432495/step, 2.27036 hours remaining, 112.183594 MB of memory in use. ENERGY: 610200 681.1656 1797.9890 1975.9728 108.8981 -0.9006 -1072.9104 0.0000 0.0000 2615.9937 6106.2082 288.9438 3490.2145 6139.0042 294.1736 PRESSURE: 610400 0 0 0 0 0 0 0 0 0 GPRESSURE: 610400 0 0 0 0 0 0 0 0 0 PRESSAVG: 610400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 610400 0 0 0 0 0 0 0 0 0 TIMING: 610400 CPU: 2413.85, 0.00394711/step Wall: 2413.85, 0.00394711/step, 2.07179 hours remaining, 112.183594 MB of memory in use. ENERGY: 610400 634.0174 1828.6764 1983.4277 106.3409 -1.0927 -1047.6189 0.0000 0.0000 2663.0132 6166.7640 294.1372 3503.7508 6195.4701 293.2298 PRESSURE: 610600 0 0 0 0 0 0 0 0 0 GPRESSURE: 610600 0 0 0 0 0 0 0 0 0 PRESSAVG: 610600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 610600 0 0 0 0 0 0 0 0 0 TIMING: 610600 CPU: 2414.64, 0.00394778/step Wall: 2414.64, 0.00394778/step, 2.07193 hours remaining, 112.183594 MB of memory in use. ENERGY: 610600 628.8183 1814.1382 2029.2281 111.5811 -0.0988 -1095.5439 0.0000 0.0000 2693.1556 6181.2786 297.4665 3488.1230 6213.6779 294.9615 PRESSURE: 610800 0 0 0 0 0 0 0 0 0 GPRESSURE: 610800 0 0 0 0 0 0 0 0 0 PRESSAVG: 610800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 610800 0 0 0 0 0 0 0 0 0 TIMING: 610800 CPU: 2415.43, 0.00394864/step Wall: 2415.43, 0.00394864/step, 2.07216 hours remaining, 112.183594 MB of memory in use. ENERGY: 610800 665.2650 1880.1272 2001.6944 106.5170 -0.8032 -1057.7119 0.0000 0.0000 2630.6675 6225.7560 290.5645 3595.0885 6255.7880 297.5470 PRESSURE: 611000 0 0 0 0 0 0 0 0 0 GPRESSURE: 611000 0 0 0 0 0 0 0 0 0 PRESSAVG: 611000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 611000 0 0 0 0 0 0 0 0 0 TIMING: 611000 CPU: 2416.22, 0.00394334/step Wall: 2416.22, 0.00394334/step, 2.06916 hours remaining, 112.183594 MB of memory in use. ENERGY: 611000 661.4774 1802.6634 2040.4518 108.5789 0.5725 -1061.7490 0.0000 0.0000 2713.4502 6265.4452 299.7081 3551.9950 6298.5845 299.8279 PRESSURE: 611200 0 0 0 0 0 0 0 0 0 GPRESSURE: 611200 0 0 0 0 0 0 0 0 0 PRESSAVG: 611200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 611200 0 0 0 0 0 0 0 0 0 TIMING: 611200 CPU: 2417.01, 0.00394549/step Wall: 2417.01, 0.00394549/step, 2.07007 hours remaining, 112.183594 MB of memory in use. ENERGY: 611200 657.3604 1858.0533 1994.7672 105.4638 0.8520 -1068.7642 0.0000 0.0000 2727.3423 6275.0748 301.2426 3547.7325 6309.4245 301.0969 PRESSURE: 611400 0 0 0 0 0 0 0 0 0 GPRESSURE: 611400 0 0 0 0 0 0 0 0 0 PRESSAVG: 611400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 611400 0 0 0 0 0 0 0 0 0 TIMING: 611400 CPU: 2417.8, 0.00394624/step Wall: 2417.8, 0.00394624/step, 2.07024 hours remaining, 112.183594 MB of memory in use. ENERGY: 611400 685.8507 1811.1010 2023.9396 113.6247 -0.7705 -1094.6584 0.0000 0.0000 2754.1848 6293.2718 304.2074 3539.0870 6324.9319 302.5040 PRESSURE: 611600 0 0 0 0 0 0 0 0 0 GPRESSURE: 611600 0 0 0 0 0 0 0 0 0 PRESSAVG: 611600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 611600 0 0 0 0 0 0 0 0 0 TIMING: 611600 CPU: 2418.59, 0.00396493/step Wall: 2418.59, 0.00396493/step, 2.07983 hours remaining, 112.183594 MB of memory in use. ENERGY: 611600 644.4350 1815.5554 1979.4022 117.4995 1.7838 -1017.7160 0.0000 0.0000 2715.1056 6256.0656 299.8910 3540.9600 6288.3266 301.8354 PRESSURE: 611800 0 0 0 0 0 0 0 0 0 GPRESSURE: 611800 0 0 0 0 0 0 0 0 0 PRESSAVG: 611800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 611800 0 0 0 0 0 0 0 0 0 TIMING: 611800 CPU: 2419.38, 0.00394438/step Wall: 2419.38, 0.00394438/step, 2.06883 hours remaining, 112.183594 MB of memory in use. ENERGY: 611800 655.2344 1859.7808 1991.3464 111.0148 -0.4689 -1045.3989 0.0000 0.0000 2688.7722 6260.2808 296.9824 3571.5086 6293.4353 299.6406 PRESSURE: 612000 0 0 0 0 0 0 0 0 0 GPRESSURE: 612000 0 0 0 0 0 0 0 0 0 PRESSAVG: 612000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 612000 0 0 0 0 0 0 0 0 0 TIMING: 612000 CPU: 2420.17, 0.00394673/step Wall: 2420.17, 0.00394673/step, 2.06984 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 612000 631.2617 1871.0998 1999.0919 117.8349 0.4365 -1067.1089 0.0000 0.0000 2656.7263 6209.3422 293.4428 3552.6159 6240.9133 299.0982 PRESSURE: 612200 0 0 0 0 0 0 0 0 0 GPRESSURE: 612200 0 0 0 0 0 0 0 0 0 PRESSAVG: 612200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 612200 0 0 0 0 0 0 0 0 0 TIMING: 612200 CPU: 2420.96, 0.00394488/step Wall: 2420.96, 0.00394488/step, 2.06865 hours remaining, 112.183594 MB of memory in use. ENERGY: 612200 613.8519 1820.5564 1989.6273 103.2952 0.1311 -1058.5963 0.0000 0.0000 2690.8318 6159.6974 297.2099 3468.8656 6194.3680 295.8948 LDB: ============= START OF LOAD BALANCING ============== 2423.92 LDB: ============== END OF LOAD BALANCING =============== 2423.92 LDB: =============== DONE WITH MIGRATION ================ 2423.92 LDB: ============= START OF LOAD BALANCING ============== 2424.31 LDB: ============== END OF LOAD BALANCING =============== 2424.31 LDB: =============== DONE WITH MIGRATION ================ 2424.31 PRESSURE: 612400 0 0 0 0 0 0 0 0 0 GPRESSURE: 612400 0 0 0 0 0 0 0 0 0 PRESSAVG: 612400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 612400 0 0 0 0 0 0 0 0 0 TIMING: 612400 CPU: 2421.75, 0.00395235/step Wall: 2421.75, 0.00395235/step, 2.07235 hours remaining, 112.183594 MB of memory in use. ENERGY: 612400 633.9143 1850.8422 2007.9469 117.3132 0.4401 -1072.5723 0.0000 0.0000 2661.2366 6199.1209 293.9410 3537.8843 6228.4015 296.3887 PRESSURE: 612600 0 0 0 0 0 0 0 0 0 GPRESSURE: 612600 0 0 0 0 0 0 0 0 0 PRESSAVG: 612600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 612600 0 0 0 0 0 0 0 0 0 TIMING: 612600 CPU: 2422.54, 0.00394997/step Wall: 2422.54, 0.00394997/step, 2.07088 hours remaining, 112.183594 MB of memory in use. ENERGY: 612600 677.5330 1816.1114 2002.8225 107.4340 -0.0621 -1093.7989 0.0000 0.0000 2680.4281 6190.4679 296.0607 3510.0399 6220.3621 295.3522 PRESSURE: 612800 0 0 0 0 0 0 0 0 0 GPRESSURE: 612800 0 0 0 0 0 0 0 0 0 PRESSAVG: 612800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 612800 0 0 0 0 0 0 0 0 0 TIMING: 612800 CPU: 2423.33, 0.00394507/step Wall: 2423.33, 0.00394507/step, 2.0681 hours remaining, 112.183594 MB of memory in use. ENERGY: 612800 660.3351 1785.2558 2003.3323 100.6073 0.0124 -1072.9032 0.0000 0.0000 2727.5903 6204.2300 301.2700 3476.6397 6238.0121 297.9080 PRESSURE: 613000 0 0 0 0 0 0 0 0 0 GPRESSURE: 613000 0 0 0 0 0 0 0 0 0 PRESSAVG: 613000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 613000 0 0 0 0 0 0 0 0 0 TIMING: 613000 CPU: 2424.12, 0.0039502/step Wall: 2424.12, 0.0039502/step, 2.07056 hours remaining, 112.183594 MB of memory in use. ENERGY: 613000 619.0225 1791.5693 2002.5586 105.5259 0.8748 -1052.1192 0.0000 0.0000 2677.6380 6145.0700 295.7526 3467.4320 6178.2678 295.1915 PRESSURE: 613200 0 0 0 0 0 0 0 0 0 GPRESSURE: 613200 0 0 0 0 0 0 0 0 0 PRESSAVG: 613200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 613200 0 0 0 0 0 0 0 0 0 TIMING: 613200 CPU: 2424.91, 0.00394961/step Wall: 2424.91, 0.00394961/step, 2.07003 hours remaining, 112.183594 MB of memory in use. ENERGY: 613200 668.0016 1779.9794 1971.6025 105.8240 0.0522 -1066.1837 0.0000 0.0000 2736.0859 6195.3619 302.2083 3459.2760 6230.8729 294.3623 PRESSURE: 613400 0 0 0 0 0 0 0 0 0 GPRESSURE: 613400 0 0 0 0 0 0 0 0 0 PRESSAVG: 613400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 613400 0 0 0 0 0 0 0 0 0 TIMING: 613400 CPU: 2425.7, 0.00395072/step Wall: 2425.7, 0.00395072/step, 2.0704 hours remaining, 112.183594 MB of memory in use. ENERGY: 613400 611.8963 1835.1871 1990.3554 108.2886 -0.5389 -1057.2670 0.0000 0.0000 2721.7601 6209.6816 300.6260 3487.9214 6241.4827 297.4349 PRESSURE: 613600 0 0 0 0 0 0 0 0 0 GPRESSURE: 613600 0 0 0 0 0 0 0 0 0 PRESSAVG: 613600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 613600 0 0 0 0 0 0 0 0 0 TIMING: 613600 CPU: 2426.49, 0.00394845/step Wall: 2426.49, 0.00394845/step, 2.06899 hours remaining, 112.183594 MB of memory in use. ENERGY: 613600 645.9222 1842.6385 1977.5793 102.9881 -0.6959 -1093.0206 0.0000 0.0000 2751.1909 6226.6024 303.8767 3475.4115 6260.5898 298.8977 PRESSURE: 613800 0 0 0 0 0 0 0 0 0 GPRESSURE: 613800 0 0 0 0 0 0 0 0 0 PRESSAVG: 613800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 613800 0 0 0 0 0 0 0 0 0 TIMING: 613800 CPU: 2427.28, 0.0039455/step Wall: 2427.28, 0.0039455/step, 2.06722 hours remaining, 112.183594 MB of memory in use. ENERGY: 613800 657.7717 1812.4231 2025.7238 113.6767 1.3397 -1092.3020 0.0000 0.0000 2720.4227 6239.0556 300.4783 3518.6329 6275.5589 297.2714 PRESSURE: 614000 0 0 0 0 0 0 0 0 0 GPRESSURE: 614000 0 0 0 0 0 0 0 0 0 PRESSAVG: 614000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 614000 0 0 0 0 0 0 0 0 0 TIMING: 614000 CPU: 2428.07, 0.00394823/step Wall: 2428.07, 0.00394823/step, 2.06843 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 614000 680.5905 1794.8349 2006.7350 93.8615 1.8347 -1054.5194 0.0000 0.0000 2654.2154 6177.5526 293.1655 3523.3372 6208.3730 297.9359 PRESSURE: 614200 0 0 0 0 0 0 0 0 0 GPRESSURE: 614200 0 0 0 0 0 0 0 0 0 PRESSAVG: 614200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 614200 0 0 0 0 0 0 0 0 0 TIMING: 614200 CPU: 2428.86, 0.00394814/step Wall: 2428.86, 0.00394814/step, 2.06817 hours remaining, 112.183594 MB of memory in use. ENERGY: 614200 667.9946 1828.1188 1995.9768 110.6648 -0.1794 -1076.3356 0.0000 0.0000 2695.5745 6221.8146 297.7337 3526.2400 6255.5777 296.4769 PRESSURE: 614400 0 0 0 0 0 0 0 0 0 GPRESSURE: 614400 0 0 0 0 0 0 0 0 0 PRESSAVG: 614400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 614400 0 0 0 0 0 0 0 0 0 TIMING: 614400 CPU: 2429.65, 0.00394788/step Wall: 2429.65, 0.00394788/step, 2.06781 hours remaining, 112.183594 MB of memory in use. ENERGY: 614400 668.5928 1805.5118 1995.2029 109.1684 0.9415 -1114.1997 0.0000 0.0000 2690.7448 6155.9625 297.2003 3465.2178 6190.7475 297.3803 PRESSURE: 614600 0 0 0 0 0 0 0 0 0 GPRESSURE: 614600 0 0 0 0 0 0 0 0 0 PRESSAVG: 614600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 614600 0 0 0 0 0 0 0 0 0 TIMING: 614600 CPU: 2430.44, 0.00394765/step Wall: 2430.44, 0.00394765/step, 2.06747 hours remaining, 112.183594 MB of memory in use. ENERGY: 614600 639.8090 1815.6039 1989.7182 105.2791 1.2986 -1086.7666 0.0000 0.0000 2700.8300 6165.7723 298.3142 3464.9423 6197.2959 295.2716 PRESSURE: 614800 0 0 0 0 0 0 0 0 0 GPRESSURE: 614800 0 0 0 0 0 0 0 0 0 PRESSAVG: 614800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 614800 0 0 0 0 0 0 0 0 0 TIMING: 614800 CPU: 2431.22, 0.00394544/step Wall: 2431.22, 0.00394544/step, 2.06609 hours remaining, 112.183594 MB of memory in use. ENERGY: 614800 654.4824 1753.6976 2029.0073 93.3982 0.7760 -1074.1560 0.0000 0.0000 2687.4124 6144.6180 296.8322 3457.2056 6179.1431 296.0139 PRESSURE: 615000 0 0 0 0 0 0 0 0 0 GPRESSURE: 615000 0 0 0 0 0 0 0 0 0 PRESSAVG: 615000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 615000 0 0 0 0 0 0 0 0 0 TIMING: 615000 CPU: 2432.01, 0.00394929/step Wall: 2432.01, 0.00394929/step, 2.06789 hours remaining, 112.183594 MB of memory in use. ENERGY: 615000 648.6424 1862.5253 1983.6685 92.5860 0.2789 -1088.9768 0.0000 0.0000 2659.8001 6158.5245 293.7823 3498.7244 6187.9755 296.1567 PRESSURE: 615200 0 0 0 0 0 0 0 0 0 GPRESSURE: 615200 0 0 0 0 0 0 0 0 0 PRESSAVG: 615200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 615200 0 0 0 0 0 0 0 0 0 TIMING: 615200 CPU: 2432.8, 0.00394886/step Wall: 2432.8, 0.00394886/step, 2.06745 hours remaining, 112.183594 MB of memory in use. ENERGY: 615200 628.2945 1815.8000 1989.1453 99.9390 1.1425 -1099.6078 0.0000 0.0000 2722.9990 6157.7124 300.7628 3434.7135 6192.7822 295.5716 PRESSURE: 615400 0 0 0 0 0 0 0 0 0 GPRESSURE: 615400 0 0 0 0 0 0 0 0 0 PRESSAVG: 615400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 615400 0 0 0 0 0 0 0 0 0 TIMING: 615400 CPU: 2433.59, 0.00395075/step Wall: 2433.59, 0.00395075/step, 2.06822 hours remaining, 112.183594 MB of memory in use. ENERGY: 615400 671.9612 1781.3199 1971.1301 100.2146 0.4191 -1083.7288 0.0000 0.0000 2694.8258 6136.1418 297.6510 3441.3161 6170.2027 294.4723 PRESSURE: 615600 0 0 0 0 0 0 0 0 0 GPRESSURE: 615600 0 0 0 0 0 0 0 0 0 PRESSAVG: 615600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 615600 0 0 0 0 0 0 0 0 0 TIMING: 615600 CPU: 2434.38, 0.0039445/step Wall: 2434.38, 0.0039445/step, 2.06473 hours remaining, 112.183594 MB of memory in use. ENERGY: 615600 644.8167 1813.9097 1990.0535 109.3820 1.2444 -1054.1749 0.0000 0.0000 2642.8906 6148.1221 291.9146 3505.2314 6180.0053 293.7909 PRESSURE: 615800 0 0 0 0 0 0 0 0 0 GPRESSURE: 615800 0 0 0 0 0 0 0 0 0 PRESSAVG: 615800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 615800 0 0 0 0 0 0 0 0 0 TIMING: 615800 CPU: 2435.17, 0.00394953/step Wall: 2435.17, 0.00394953/step, 2.06714 hours remaining, 112.183594 MB of memory in use. ENERGY: 615800 647.1637 1822.9144 1978.4047 107.4114 -0.3028 -1052.2580 0.0000 0.0000 2678.1704 6181.5039 295.8114 3503.3335 6213.8115 294.7952 PRESSURE: 616000 0 0 0 0 0 0 0 0 0 GPRESSURE: 616000 0 0 0 0 0 0 0 0 0 PRESSAVG: 616000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 616000 0 0 0 0 0 0 0 0 0 TIMING: 616000 CPU: 2435.96, 0.00394858/step Wall: 2435.96, 0.00394858/step, 2.06642 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 616000 675.1737 1729.7637 2014.7716 103.1960 1.6936 -1025.9912 0.0000 0.0000 2673.2516 6171.8590 295.2681 3498.6074 6207.5981 296.0307 PRESSURE: 616200 0 0 0 0 0 0 0 0 0 GPRESSURE: 616200 0 0 0 0 0 0 0 0 0 PRESSAVG: 616200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 616200 0 0 0 0 0 0 0 0 0 TIMING: 616200 CPU: 2436.75, 0.0039498/step Wall: 2436.75, 0.0039498/step, 2.06684 hours remaining, 112.183594 MB of memory in use. ENERGY: 616200 639.9527 1852.7072 1983.4274 107.9095 1.6161 -1073.7752 0.0000 0.0000 2670.9123 6182.7500 295.0097 3511.8377 6216.7768 295.5809 LDB: ============= START OF LOAD BALANCING ============== 2439.71 LDB: ============== END OF LOAD BALANCING =============== 2439.71 LDB: =============== DONE WITH MIGRATION ================ 2439.71 LDB: ============= START OF LOAD BALANCING ============== 2440.11 LDB: ============== END OF LOAD BALANCING =============== 2440.11 LDB: =============== DONE WITH MIGRATION ================ 2440.11 PRESSURE: 616400 0 0 0 0 0 0 0 0 0 GPRESSURE: 616400 0 0 0 0 0 0 0 0 0 PRESSAVG: 616400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 616400 0 0 0 0 0 0 0 0 0 TIMING: 616400 CPU: 2437.54, 0.00395455/step Wall: 2437.54, 0.00395455/step, 2.06911 hours remaining, 112.183594 MB of memory in use. ENERGY: 616400 686.6395 1824.9997 1997.0707 116.4946 2.5405 -1061.6323 0.0000 0.0000 2674.3285 6240.4413 295.3870 3566.1128 6271.1251 297.5979 PRESSURE: 616600 0 0 0 0 0 0 0 0 0 GPRESSURE: 616600 0 0 0 0 0 0 0 0 0 PRESSAVG: 616600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 616600 0 0 0 0 0 0 0 0 0 TIMING: 616600 CPU: 2438.33, 0.00394532/step Wall: 2438.33, 0.00394532/step, 2.06406 hours remaining, 112.183594 MB of memory in use. ENERGY: 616600 631.8026 1840.0205 1998.2131 99.5976 1.0673 -1077.2831 0.0000 0.0000 2665.1641 6158.5821 294.3748 3493.4180 6189.2831 296.4923 PRESSURE: 616800 0 0 0 0 0 0 0 0 0 GPRESSURE: 616800 0 0 0 0 0 0 0 0 0 PRESSAVG: 616800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 616800 0 0 0 0 0 0 0 0 0 TIMING: 616800 CPU: 2439.12, 0.00395113/step Wall: 2439.12, 0.00395113/step, 2.06688 hours remaining, 112.183594 MB of memory in use. ENERGY: 616800 673.7876 1822.1837 2008.1742 100.9711 1.4977 -1083.1288 0.0000 0.0000 2729.0672 6252.5526 301.4331 3523.4854 6287.9507 298.5195 PRESSURE: 617000 0 0 0 0 0 0 0 0 0 GPRESSURE: 617000 0 0 0 0 0 0 0 0 0 PRESSAVG: 617000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 617000 0 0 0 0 0 0 0 0 0 TIMING: 617000 CPU: 2439.91, 0.00394864/step Wall: 2439.91, 0.00394864/step, 2.06536 hours remaining, 112.183594 MB of memory in use. ENERGY: 617000 621.5893 1767.6938 1985.8263 110.9536 1.9326 -1077.2754 0.0000 0.0000 2706.7543 6117.4747 298.9686 3410.7204 6151.3418 296.1318 PRESSURE: 617200 0 0 0 0 0 0 0 0 0 GPRESSURE: 617200 0 0 0 0 0 0 0 0 0 PRESSAVG: 617200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 617200 0 0 0 0 0 0 0 0 0 TIMING: 617200 CPU: 2440.7, 0.00395113/step Wall: 2440.7, 0.00395113/step, 2.06644 hours remaining, 112.183594 MB of memory in use. ENERGY: 617200 629.6926 1772.7355 1990.2980 110.0071 1.2030 -1029.8742 0.0000 0.0000 2661.2044 6135.2664 293.9374 3474.0620 6168.1975 292.3477 PRESSURE: 617400 0 0 0 0 0 0 0 0 0 GPRESSURE: 617400 0 0 0 0 0 0 0 0 0 PRESSAVG: 617400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 617400 0 0 0 0 0 0 0 0 0 TIMING: 617400 CPU: 2441.49, 0.00395961/step Wall: 2441.49, 0.00395961/step, 2.07065 hours remaining, 112.183594 MB of memory in use. ENERGY: 617400 647.3550 1789.8965 1981.6255 107.4991 1.0152 -1037.5037 0.0000 0.0000 2705.7747 6195.6624 298.8604 3489.8877 6231.7360 293.9273 PRESSURE: 617600 0 0 0 0 0 0 0 0 0 GPRESSURE: 617600 0 0 0 0 0 0 0 0 0 PRESSAVG: 617600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 617600 0 0 0 0 0 0 0 0 0 TIMING: 617600 CPU: 2442.28, 0.0039492/step Wall: 2442.28, 0.0039492/step, 2.06499 hours remaining, 112.183594 MB of memory in use. ENERGY: 617600 660.6597 1781.3185 1981.9489 112.9721 2.2594 -1062.3796 0.0000 0.0000 2688.1472 6164.9263 296.9133 3476.7791 6196.3015 294.8483 PRESSURE: 617800 0 0 0 0 0 0 0 0 0 GPRESSURE: 617800 0 0 0 0 0 0 0 0 0 PRESSAVG: 617800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 617800 0 0 0 0 0 0 0 0 0 TIMING: 617800 CPU: 2443.08, 0.00395338/step Wall: 2443.08, 0.00395338/step, 2.06696 hours remaining, 112.183594 MB of memory in use. ENERGY: 617800 649.9318 1845.2065 1981.4669 100.2447 2.7129 -1056.2559 0.0000 0.0000 2623.8154 6147.1222 289.8077 3523.3068 6178.9605 294.0276 PRESSURE: 618000 0 0 0 0 0 0 0 0 0 GPRESSURE: 618000 0 0 0 0 0 0 0 0 0 PRESSAVG: 618000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 618000 0 0 0 0 0 0 0 0 0 TIMING: 618000 CPU: 2443.87, 0.00395084/step Wall: 2443.87, 0.00395084/step, 2.06541 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 618000 647.1385 1790.9342 2003.8567 115.5221 3.2894 -1081.5187 0.0000 0.0000 2703.0054 6182.2276 298.5545 3479.2222 6216.9689 294.1689 PRESSURE: 618200 0 0 0 0 0 0 0 0 0 GPRESSURE: 618200 0 0 0 0 0 0 0 0 0 PRESSAVG: 618200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 618200 0 0 0 0 0 0 0 0 0 TIMING: 618200 CPU: 2444.66, 0.00395004/step Wall: 2444.66, 0.00395004/step, 2.06477 hours remaining, 112.183594 MB of memory in use. ENERGY: 618200 653.6076 1785.7231 1984.2060 105.0980 2.5269 -1034.4033 0.0000 0.0000 2628.8553 6125.6137 290.3644 3496.7583 6158.0130 296.5428 PRESSURE: 618400 0 0 0 0 0 0 0 0 0 GPRESSURE: 618400 0 0 0 0 0 0 0 0 0 PRESSAVG: 618400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 618400 0 0 0 0 0 0 0 0 0 TIMING: 618400 CPU: 2445.44, 0.00394604/step Wall: 2445.44, 0.00394604/step, 2.06247 hours remaining, 112.183594 MB of memory in use. ENERGY: 618400 629.3051 1768.8957 1972.1127 111.7764 1.5029 -1023.8832 0.0000 0.0000 2622.5440 6082.2537 289.6673 3459.7096 6110.0649 291.8026 PRESSURE: 618600 0 0 0 0 0 0 0 0 0 GPRESSURE: 618600 0 0 0 0 0 0 0 0 0 PRESSAVG: 618600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 618600 0 0 0 0 0 0 0 0 0 TIMING: 618600 CPU: 2446.23, 0.00394758/step Wall: 2446.23, 0.00394758/step, 2.06305 hours remaining, 112.183594 MB of memory in use. ENERGY: 618600 664.3765 1833.9354 1996.3769 111.3205 0.7863 -1102.3506 0.0000 0.0000 2656.0752 6160.5202 293.3709 3504.4450 6191.3870 291.5050 PRESSURE: 618800 0 0 0 0 0 0 0 0 0 GPRESSURE: 618800 0 0 0 0 0 0 0 0 0 PRESSAVG: 618800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 618800 0 0 0 0 0 0 0 0 0 TIMING: 618800 CPU: 2447.02, 0.00394712/step Wall: 2447.02, 0.00394712/step, 2.06259 hours remaining, 112.183594 MB of memory in use. ENERGY: 618800 649.3591 1802.1742 2009.2759 98.6139 2.1313 -1094.9788 0.0000 0.0000 2693.1517 6159.7273 297.4661 3466.5756 6190.2377 295.9176 PRESSURE: 619000 0 0 0 0 0 0 0 0 0 GPRESSURE: 619000 0 0 0 0 0 0 0 0 0 PRESSAVG: 619000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 619000 0 0 0 0 0 0 0 0 0 TIMING: 619000 CPU: 2447.81, 0.00394773/step Wall: 2447.81, 0.00394773/step, 2.06269 hours remaining, 112.183594 MB of memory in use. ENERGY: 619000 635.0509 1807.9449 2009.5076 118.2280 0.3033 -1089.5446 0.0000 0.0000 2706.3600 6187.8501 298.9250 3481.4901 6222.8318 296.6839 PRESSURE: 619200 0 0 0 0 0 0 0 0 0 GPRESSURE: 619200 0 0 0 0 0 0 0 0 0 PRESSAVG: 619200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 619200 0 0 0 0 0 0 0 0 0 TIMING: 619200 CPU: 2448.6, 0.0039473/step Wall: 2448.6, 0.0039473/step, 2.06225 hours remaining, 112.183594 MB of memory in use. ENERGY: 619200 692.6837 1824.0375 2018.3412 111.1452 1.1296 -1085.9545 0.0000 0.0000 2580.3846 6141.7672 285.0107 3561.3827 6168.8105 296.3570 PRESSURE: 619400 0 0 0 0 0 0 0 0 0 GPRESSURE: 619400 0 0 0 0 0 0 0 0 0 PRESSAVG: 619400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 619400 0 0 0 0 0 0 0 0 0 TIMING: 619400 CPU: 2449.39, 0.00394464/step Wall: 2449.39, 0.00394464/step, 2.06064 hours remaining, 112.183594 MB of memory in use. ENERGY: 619400 628.7900 1831.7248 1994.0162 101.0935 1.1876 -1078.3390 0.0000 0.0000 2622.4330 6100.9062 289.6550 3478.4732 6131.3644 293.7876 PRESSURE: 619600 0 0 0 0 0 0 0 0 0 GPRESSURE: 619600 0 0 0 0 0 0 0 0 0 PRESSAVG: 619600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 619600 0 0 0 0 0 0 0 0 0 TIMING: 619600 CPU: 2450.18, 0.00394852/step Wall: 2450.18, 0.00394852/step, 2.06244 hours remaining, 112.183594 MB of memory in use. ENERGY: 619600 622.1483 1821.4125 2006.4310 102.5648 3.0182 -1067.7551 0.0000 0.0000 2688.3302 6176.1498 296.9336 3487.8195 6210.2635 293.8470 PRESSURE: 619800 0 0 0 0 0 0 0 0 0 GPRESSURE: 619800 0 0 0 0 0 0 0 0 0 PRESSAVG: 619800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 619800 0 0 0 0 0 0 0 0 0 TIMING: 619800 CPU: 2450.97, 0.00394958/step Wall: 2450.97, 0.00394958/step, 2.06278 hours remaining, 112.183594 MB of memory in use. ENERGY: 619800 665.2749 1830.8669 1967.1023 103.3861 2.4978 -1077.2219 0.0000 0.0000 2633.1709 6125.0771 290.8411 3491.9061 6158.8382 293.8731 PRESSURE: 620000 0 0 0 0 0 0 0 0 0 GPRESSURE: 620000 0 0 0 0 0 0 0 0 0 PRESSAVG: 620000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 620000 0 0 0 0 0 0 0 0 0 TIMING: 620000 CPU: 2451.76, 0.00395134/step Wall: 2451.76, 0.00395134/step, 2.06348 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 620000 677.4594 1843.1742 1984.9267 105.0856 1.5226 -1076.4697 0.0000 0.0000 2644.4760 6180.1748 292.0897 3535.6988 6210.3255 293.4393 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 620000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 620000 WRITING COORDINATES TO RESTART FILE AT STEP 620000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 620000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 620200 0 0 0 0 0 0 0 0 0 GPRESSURE: 620200 0 0 0 0 0 0 0 0 0 PRESSAVG: 620200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 620200 0 0 0 0 0 0 0 0 0 TIMING: 620200 CPU: 2452.59, 0.00413801/step Wall: 2452.59, 0.00413801/step, 2.16073 hours remaining, 112.183594 MB of memory in use. ENERGY: 620200 652.0275 1831.9451 1973.9483 110.6553 0.2255 -1084.7397 0.0000 0.0000 2684.8146 6168.8765 296.5453 3484.0618 6199.6136 295.2062 LDB: ============= START OF LOAD BALANCING ============== 2455.55 LDB: ============== END OF LOAD BALANCING =============== 2455.55 LDB: =============== DONE WITH MIGRATION ================ 2455.55 LDB: ============= START OF LOAD BALANCING ============== 2455.94 LDB: ============== END OF LOAD BALANCING =============== 2455.94 LDB: =============== DONE WITH MIGRATION ================ 2455.94 PRESSURE: 620400 0 0 0 0 0 0 0 0 0 GPRESSURE: 620400 0 0 0 0 0 0 0 0 0 PRESSAVG: 620400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 620400 0 0 0 0 0 0 0 0 0 TIMING: 620400 CPU: 2453.38, 0.0039489/step Wall: 2453.38, 0.0039489/step, 2.06177 hours remaining, 112.183594 MB of memory in use. ENERGY: 620400 640.9723 1833.3923 2005.7960 106.6239 1.6618 -1085.7162 0.0000 0.0000 2648.3527 6151.0829 292.5179 3502.7302 6183.4831 296.1173 PRESSURE: 620600 0 0 0 0 0 0 0 0 0 GPRESSURE: 620600 0 0 0 0 0 0 0 0 0 PRESSAVG: 620600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 620600 0 0 0 0 0 0 0 0 0 TIMING: 620600 CPU: 2454.17, 0.00394837/step Wall: 2454.17, 0.00394837/step, 2.06127 hours remaining, 112.183594 MB of memory in use. ENERGY: 620600 632.2029 1845.5933 1989.9352 121.6457 1.2252 -1108.8471 0.0000 0.0000 2622.8581 6104.6134 289.7020 3481.7553 6136.6000 294.5256 PRESSURE: 620800 0 0 0 0 0 0 0 0 0 GPRESSURE: 620800 0 0 0 0 0 0 0 0 0 PRESSAVG: 620800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 620800 0 0 0 0 0 0 0 0 0 TIMING: 620800 CPU: 2454.96, 0.00394745/step Wall: 2454.96, 0.00394745/step, 2.06057 hours remaining, 112.183594 MB of memory in use. ENERGY: 620800 682.4803 1825.6948 1972.3426 111.5647 -0.5904 -1131.8368 0.0000 0.0000 2649.7382 6109.3933 292.6710 3459.6551 6141.2633 293.0641 PRESSURE: 621000 0 0 0 0 0 0 0 0 0 GPRESSURE: 621000 0 0 0 0 0 0 0 0 0 PRESSAVG: 621000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 621000 0 0 0 0 0 0 0 0 0 TIMING: 621000 CPU: 2455.75, 0.00394897/step Wall: 2455.75, 0.00394897/step, 2.06115 hours remaining, 112.183594 MB of memory in use. ENERGY: 621000 647.3235 1800.7332 2006.3070 123.7274 1.4547 -1119.2056 0.0000 0.0000 2709.9737 6170.3139 299.3241 3460.3403 6202.8872 294.3656 PRESSURE: 621200 0 0 0 0 0 0 0 0 0 GPRESSURE: 621200 0 0 0 0 0 0 0 0 0 PRESSAVG: 621200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 621200 0 0 0 0 0 0 0 0 0 TIMING: 621200 CPU: 2456.54, 0.00394799/step Wall: 2456.54, 0.00394799/step, 2.06041 hours remaining, 112.183594 MB of memory in use. ENERGY: 621200 691.4203 1772.7158 1991.7710 97.8988 -0.4637 -1084.6103 0.0000 0.0000 2681.9813 6150.7131 296.2323 3468.7319 6183.0488 296.2450 PRESSURE: 621400 0 0 0 0 0 0 0 0 0 GPRESSURE: 621400 0 0 0 0 0 0 0 0 0 PRESSAVG: 621400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 621400 0 0 0 0 0 0 0 0 0 TIMING: 621400 CPU: 2457.33, 0.00394341/step Wall: 2457.33, 0.00394341/step, 2.0578 hours remaining, 112.183594 MB of memory in use. ENERGY: 621400 658.6819 1803.1345 1992.8339 112.4023 0.8301 -1073.9625 0.0000 0.0000 2676.0283 6169.9486 295.5748 3493.9203 6203.3532 295.8882 PRESSURE: 621600 0 0 0 0 0 0 0 0 0 GPRESSURE: 621600 0 0 0 0 0 0 0 0 0 PRESSAVG: 621600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 621600 0 0 0 0 0 0 0 0 0 TIMING: 621600 CPU: 2458.12, 0.00394941/step Wall: 2458.12, 0.00394941/step, 2.06071 hours remaining, 112.183594 MB of memory in use. ENERGY: 621600 661.8329 1874.6071 2005.2798 102.2610 1.8477 -1109.5177 0.0000 0.0000 2680.7507 6217.0615 296.0964 3536.3108 6247.4473 296.9014 PRESSURE: 621800 0 0 0 0 0 0 0 0 0 GPRESSURE: 621800 0 0 0 0 0 0 0 0 0 PRESSAVG: 621800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 621800 0 0 0 0 0 0 0 0 0 TIMING: 621800 CPU: 2458.91, 0.00396158/step Wall: 2458.91, 0.00396158/step, 2.06684 hours remaining, 112.183594 MB of memory in use. ENERGY: 621800 674.7608 1817.3094 1990.6592 99.2598 0.8470 -1063.8850 0.0000 0.0000 2719.6568 6238.6081 300.3937 3518.9513 6270.5679 299.0995 PRESSURE: 622000 0 0 0 0 0 0 0 0 0 GPRESSURE: 622000 0 0 0 0 0 0 0 0 0 PRESSAVG: 622000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 622000 0 0 0 0 0 0 0 0 0 TIMING: 622000 CPU: 2459.7, 0.00394808/step Wall: 2459.7, 0.00394808/step, 2.05958 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 622000 654.5957 1838.7955 1999.4789 98.4477 2.0755 -1096.9241 0.0000 0.0000 2704.4774 6200.9466 298.7171 3496.4692 6233.3964 297.2028 PRESSURE: 622200 0 0 0 0 0 0 0 0 0 GPRESSURE: 622200 0 0 0 0 0 0 0 0 0 PRESSAVG: 622200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 622200 0 0 0 0 0 0 0 0 0 TIMING: 622200 CPU: 2460.49, 0.00394632/step Wall: 2460.49, 0.00394632/step, 2.05844 hours remaining, 112.183594 MB of memory in use. ENERGY: 622200 683.2956 1770.4959 2042.5330 108.7452 0.1040 -1069.4665 0.0000 0.0000 2745.4639 6281.1711 303.2441 3535.7072 6313.7170 299.6832 PRESSURE: 622400 0 0 0 0 0 0 0 0 0 GPRESSURE: 622400 0 0 0 0 0 0 0 0 0 PRESSAVG: 622400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 622400 0 0 0 0 0 0 0 0 0 TIMING: 622400 CPU: 2461.28, 0.00394635/step Wall: 2461.28, 0.00394635/step, 2.05824 hours remaining, 112.183594 MB of memory in use. ENERGY: 622400 666.8301 1845.0374 2023.9760 101.7478 -0.4270 -1089.9255 0.0000 0.0000 2729.8296 6277.0685 301.5173 3547.2389 6310.3366 300.9283 PRESSURE: 622600 0 0 0 0 0 0 0 0 0 GPRESSURE: 622600 0 0 0 0 0 0 0 0 0 PRESSAVG: 622600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 622600 0 0 0 0 0 0 0 0 0 TIMING: 622600 CPU: 2462.07, 0.00394778/step Wall: 2462.07, 0.00394778/step, 2.05877 hours remaining, 112.183594 MB of memory in use. ENERGY: 622600 680.8888 1801.8779 2004.9900 110.2463 0.2088 -1081.2915 0.0000 0.0000 2693.0994 6210.0196 297.4603 3516.9202 6241.6030 299.4543 PRESSURE: 622800 0 0 0 0 0 0 0 0 0 GPRESSURE: 622800 0 0 0 0 0 0 0 0 0 PRESSAVG: 622800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 622800 0 0 0 0 0 0 0 0 0 TIMING: 622800 CPU: 2462.86, 0.00394557/step Wall: 2462.86, 0.00394557/step, 2.05739 hours remaining, 112.183594 MB of memory in use. ENERGY: 622800 670.7441 1843.5443 2002.9607 115.2351 1.4573 -1072.3939 0.0000 0.0000 2620.4430 6181.9905 289.4352 3561.5475 6210.4288 295.4119 PRESSURE: 623000 0 0 0 0 0 0 0 0 0 GPRESSURE: 623000 0 0 0 0 0 0 0 0 0 PRESSAVG: 623000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 623000 0 0 0 0 0 0 0 0 0 TIMING: 623000 CPU: 2463.64, 0.00394677/step Wall: 2463.64, 0.00394677/step, 2.0578 hours remaining, 112.183594 MB of memory in use. ENERGY: 623000 645.4413 1868.3137 2011.1939 109.3813 2.1421 -1086.3319 0.0000 0.0000 2685.1825 6235.3228 296.5859 3550.1403 6268.4935 298.1811 PRESSURE: 623200 0 0 0 0 0 0 0 0 0 GPRESSURE: 623200 0 0 0 0 0 0 0 0 0 PRESSAVG: 623200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 623200 0 0 0 0 0 0 0 0 0 TIMING: 623200 CPU: 2464.43, 0.00394482/step Wall: 2464.43, 0.00394482/step, 2.05657 hours remaining, 112.183594 MB of memory in use. ENERGY: 623200 659.5515 1866.9146 1988.9914 98.7978 1.6928 -1097.2784 0.0000 0.0000 2780.6314 6299.3012 307.1285 3518.6697 6334.9731 300.8833 PRESSURE: 623400 0 0 0 0 0 0 0 0 0 GPRESSURE: 623400 0 0 0 0 0 0 0 0 0 PRESSAVG: 623400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 623400 0 0 0 0 0 0 0 0 0 TIMING: 623400 CPU: 2465.22, 0.00394768/step Wall: 2465.22, 0.00394768/step, 2.05784 hours remaining, 112.183594 MB of memory in use. ENERGY: 623400 670.9667 1853.1511 2004.2015 109.7635 2.1283 -1091.3513 0.0000 0.0000 2746.1655 6295.0254 303.3216 3548.8599 6330.1302 302.7084 PRESSURE: 623600 0 0 0 0 0 0 0 0 0 GPRESSURE: 623600 0 0 0 0 0 0 0 0 0 PRESSAVG: 623600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 623600 0 0 0 0 0 0 0 0 0 TIMING: 623600 CPU: 2466.01, 0.00394759/step Wall: 2466.01, 0.00394759/step, 2.05757 hours remaining, 112.183594 MB of memory in use. ENERGY: 623600 674.2999 1869.7853 2032.7296 120.5362 1.1160 -1109.7129 0.0000 0.0000 2695.1046 6283.8587 297.6818 3588.7540 6318.8601 303.0381 PRESSURE: 623800 0 0 0 0 0 0 0 0 0 GPRESSURE: 623800 0 0 0 0 0 0 0 0 0 PRESSAVG: 623800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 623800 0 0 0 0 0 0 0 0 0 TIMING: 623800 CPU: 2466.8, 0.00394572/step Wall: 2466.8, 0.00394572/step, 2.05638 hours remaining, 112.183594 MB of memory in use. ENERGY: 623800 667.6549 1820.5228 2013.4492 98.5304 0.7086 -1078.9056 0.0000 0.0000 2748.1620 6270.1223 303.5421 3521.9603 6303.7204 300.8358 PRESSURE: 624000 0 0 0 0 0 0 0 0 0 GPRESSURE: 624000 0 0 0 0 0 0 0 0 0 PRESSAVG: 624000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 624000 0 0 0 0 0 0 0 0 0 TIMING: 624000 CPU: 2467.59, 0.00394745/step Wall: 2467.59, 0.00394745/step, 2.05706 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 624000 666.0389 1848.7282 2002.4996 98.8445 0.9994 -1070.3389 0.0000 0.0000 2735.5270 6282.2987 302.1466 3546.7717 6315.7206 300.2162 PRESSURE: 624200 0 0 0 0 0 0 0 0 0 GPRESSURE: 624200 0 0 0 0 0 0 0 0 0 PRESSAVG: 624200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 624200 0 0 0 0 0 0 0 0 0 TIMING: 624200 CPU: 2468.38, 0.00394337/step Wall: 2468.38, 0.00394337/step, 2.05471 hours remaining, 112.183594 MB of memory in use. ENERGY: 624200 672.3754 1877.1938 1986.7185 108.4087 0.9319 -1056.2009 0.0000 0.0000 2721.6904 6311.1179 300.6183 3589.4274 6339.5273 303.2204 LDB: ============= START OF LOAD BALANCING ============== 2471.34 LDB: ============== END OF LOAD BALANCING =============== 2471.34 LDB: =============== DONE WITH MIGRATION ================ 2471.34 LDB: ============= START OF LOAD BALANCING ============== 2471.73 LDB: ============== END OF LOAD BALANCING =============== 2471.73 LDB: =============== DONE WITH MIGRATION ================ 2471.73 PRESSURE: 624400 0 0 0 0 0 0 0 0 0 GPRESSURE: 624400 0 0 0 0 0 0 0 0 0 PRESSAVG: 624400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 624400 0 0 0 0 0 0 0 0 0 TIMING: 624400 CPU: 2469.17, 0.00395025/step Wall: 2469.17, 0.00395025/step, 2.05808 hours remaining, 112.183594 MB of memory in use. ENERGY: 624400 644.7056 1863.8452 1992.4793 111.1806 0.0970 -1040.6272 0.0000 0.0000 2738.6877 6310.3682 302.4957 3571.6805 6342.0238 302.4741 PRESSURE: 624600 0 0 0 0 0 0 0 0 0 GPRESSURE: 624600 0 0 0 0 0 0 0 0 0 PRESSAVG: 624600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 624600 0 0 0 0 0 0 0 0 0 TIMING: 624600 CPU: 2469.96, 0.00394567/step Wall: 2469.96, 0.00394567/step, 2.05548 hours remaining, 112.183594 MB of memory in use. ENERGY: 624600 644.3623 1851.9032 2013.1857 115.6518 0.7996 -1066.1711 0.0000 0.0000 2728.0871 6287.8186 301.3248 3559.7315 6321.9624 302.7199 PRESSURE: 624800 0 0 0 0 0 0 0 0 0 GPRESSURE: 624800 0 0 0 0 0 0 0 0 0 PRESSAVG: 624800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 624800 0 0 0 0 0 0 0 0 0 TIMING: 624800 CPU: 2470.75, 0.00394621/step Wall: 2470.75, 0.00394621/step, 2.05554 hours remaining, 112.183594 MB of memory in use. ENERGY: 624800 692.3144 1831.3051 2027.7230 111.3433 2.1870 -1099.9093 0.0000 0.0000 2743.5324 6308.4960 303.0308 3564.9636 6340.2463 302.6837 PRESSURE: 625000 0 0 0 0 0 0 0 0 0 GPRESSURE: 625000 0 0 0 0 0 0 0 0 0 PRESSAVG: 625000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 625000 0 0 0 0 0 0 0 0 0 TIMING: 625000 CPU: 2471.54, 0.00394716/step Wall: 2471.54, 0.00394716/step, 2.05581 hours remaining, 112.183594 MB of memory in use. ENERGY: 625000 661.1425 1876.8027 2000.1208 96.4397 -0.3180 -1094.5646 0.0000 0.0000 2717.4209 6257.0441 300.1467 3539.6232 6287.3012 301.5443 PRESSURE: 625200 0 0 0 0 0 0 0 0 0 GPRESSURE: 625200 0 0 0 0 0 0 0 0 0 PRESSAVG: 625200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 625200 0 0 0 0 0 0 0 0 0 TIMING: 625200 CPU: 2472.33, 0.00394287/step Wall: 2472.33, 0.00394287/step, 2.05336 hours remaining, 112.183594 MB of memory in use. ENERGY: 625200 672.8383 1852.1365 1992.3969 98.6556 0.2370 -1063.3846 0.0000 0.0000 2705.6977 6258.5774 298.8519 3552.8797 6292.3473 302.1241 PRESSURE: 625400 0 0 0 0 0 0 0 0 0 GPRESSURE: 625400 0 0 0 0 0 0 0 0 0 PRESSAVG: 625400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 625400 0 0 0 0 0 0 0 0 0 TIMING: 625400 CPU: 2473.12, 0.00394805/step Wall: 2473.12, 0.00394805/step, 2.05584 hours remaining, 112.183594 MB of memory in use. ENERGY: 625400 671.8634 1869.1629 1987.4839 97.6523 0.2242 -1087.5281 0.0000 0.0000 2678.6634 6217.5220 295.8658 3538.8586 6250.7985 298.9329 PRESSURE: 625600 0 0 0 0 0 0 0 0 0 GPRESSURE: 625600 0 0 0 0 0 0 0 0 0 PRESSAVG: 625600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 625600 0 0 0 0 0 0 0 0 0 TIMING: 625600 CPU: 2473.91, 0.00394821/step Wall: 2473.91, 0.00394821/step, 2.0557 hours remaining, 112.183594 MB of memory in use. ENERGY: 625600 713.2261 1835.6531 1997.0745 105.0071 0.1127 -1083.7442 0.0000 0.0000 2704.5156 6271.8449 298.7213 3567.3294 6305.7923 300.2536 PRESSURE: 625800 0 0 0 0 0 0 0 0 0 GPRESSURE: 625800 0 0 0 0 0 0 0 0 0 PRESSAVG: 625800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 625800 0 0 0 0 0 0 0 0 0 TIMING: 625800 CPU: 2474.7, 0.00394791/step Wall: 2474.7, 0.00394791/step, 2.05533 hours remaining, 112.183594 MB of memory in use. ENERGY: 625800 669.8890 1888.7699 1999.3393 103.4109 0.2749 -1045.0684 0.0000 0.0000 2641.8228 6258.4385 291.7967 3616.6157 6289.5335 299.2506 PRESSURE: 626000 0 0 0 0 0 0 0 0 0 GPRESSURE: 626000 0 0 0 0 0 0 0 0 0 PRESSAVG: 626000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 626000 0 0 0 0 0 0 0 0 0 TIMING: 626000 CPU: 2475.48, 0.00394488/step Wall: 2475.48, 0.00394488/step, 2.05353 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 626000 633.3977 1853.0989 1985.3602 102.9488 1.8206 -1073.8911 0.0000 0.0000 2674.5768 6177.3119 295.4145 3502.7351 6211.8542 297.9825 PRESSURE: 626200 0 0 0 0 0 0 0 0 0 GPRESSURE: 626200 0 0 0 0 0 0 0 0 0 PRESSAVG: 626200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 626200 0 0 0 0 0 0 0 0 0 TIMING: 626200 CPU: 2476.27, 0.00394825/step Wall: 2476.27, 0.00394825/step, 2.05506 hours remaining, 112.183594 MB of memory in use. ENERGY: 626200 678.5295 1787.3355 1979.0894 100.0604 0.7789 -1024.0511 0.0000 0.0000 2676.8785 6198.6212 295.6687 3521.7427 6227.4803 296.5049 PRESSURE: 626400 0 0 0 0 0 0 0 0 0 GPRESSURE: 626400 0 0 0 0 0 0 0 0 0 PRESSAVG: 626400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 626400 0 0 0 0 0 0 0 0 0 TIMING: 626400 CPU: 2477.06, 0.00395016/step Wall: 2477.06, 0.00395016/step, 2.05584 hours remaining, 112.183594 MB of memory in use. ENERGY: 626400 700.2875 1807.6901 2012.6955 109.4654 1.4058 -1101.0123 0.0000 0.0000 2684.7544 6215.2863 296.5386 3530.5319 6245.2579 299.4187 PRESSURE: 626600 0 0 0 0 0 0 0 0 0 GPRESSURE: 626600 0 0 0 0 0 0 0 0 0 PRESSAVG: 626600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 626600 0 0 0 0 0 0 0 0 0 TIMING: 626600 CPU: 2477.85, 0.00394775/step Wall: 2477.85, 0.00394775/step, 2.05437 hours remaining, 112.183594 MB of memory in use. ENERGY: 626600 648.5194 1818.7644 1998.9422 106.6023 0.8431 -1079.0306 0.0000 0.0000 2714.6835 6209.3244 299.8444 3494.6409 6243.0625 297.6541 PRESSURE: 626800 0 0 0 0 0 0 0 0 0 GPRESSURE: 626800 0 0 0 0 0 0 0 0 0 PRESSAVG: 626800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 626800 0 0 0 0 0 0 0 0 0 TIMING: 626800 CPU: 2478.64, 0.00394884/step Wall: 2478.64, 0.00394884/step, 2.05471 hours remaining, 112.183594 MB of memory in use. ENERGY: 626800 663.6908 1875.9657 1984.5522 120.1826 0.6775 -1048.5283 0.0000 0.0000 2659.6444 6256.1850 293.7651 3596.5406 6287.3726 300.5680 PRESSURE: 627000 0 0 0 0 0 0 0 0 0 GPRESSURE: 627000 0 0 0 0 0 0 0 0 0 PRESSAVG: 627000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 627000 0 0 0 0 0 0 0 0 0 TIMING: 627000 CPU: 2479.43, 0.00394544/step Wall: 2479.43, 0.00394544/step, 2.05273 hours remaining, 112.183594 MB of memory in use. ENERGY: 627000 680.6028 1851.0268 1988.4179 115.0288 0.7102 -1080.5652 0.0000 0.0000 2709.6742 6264.8955 299.2911 3555.2213 6298.3304 300.5465 PRESSURE: 627200 0 0 0 0 0 0 0 0 0 GPRESSURE: 627200 0 0 0 0 0 0 0 0 0 PRESSAVG: 627200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 627200 0 0 0 0 0 0 0 0 0 TIMING: 627200 CPU: 2480.22, 0.00395008/step Wall: 2480.22, 0.00395008/step, 2.05492 hours remaining, 112.183594 MB of memory in use. ENERGY: 627200 636.4020 1875.0883 2009.2169 107.1866 0.3528 -1026.4693 0.0000 0.0000 2686.0433 6287.8205 296.6810 3601.7772 6319.8631 300.3741 PRESSURE: 627400 0 0 0 0 0 0 0 0 0 GPRESSURE: 627400 0 0 0 0 0 0 0 0 0 PRESSAVG: 627400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 627400 0 0 0 0 0 0 0 0 0 TIMING: 627400 CPU: 2481.01, 0.003951/step Wall: 2481.01, 0.003951/step, 2.05518 hours remaining, 112.183594 MB of memory in use. ENERGY: 627400 656.7502 1888.5899 2014.9877 115.2096 -0.2024 -1062.3896 0.0000 0.0000 2726.3255 6339.2709 301.1302 3612.9454 6372.2098 304.2208 PRESSURE: 627600 0 0 0 0 0 0 0 0 0 GPRESSURE: 627600 0 0 0 0 0 0 0 0 0 PRESSAVG: 627600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 627600 0 0 0 0 0 0 0 0 0 TIMING: 627600 CPU: 2481.8, 0.0039507/step Wall: 2481.8, 0.0039507/step, 2.0548 hours remaining, 112.183594 MB of memory in use. ENERGY: 627600 666.7346 1837.7833 2013.3038 97.7911 -1.8526 -1065.5531 0.0000 0.0000 2824.3554 6372.5625 311.9579 3548.2070 6407.3331 305.6067 PRESSURE: 627800 0 0 0 0 0 0 0 0 0 GPRESSURE: 627800 0 0 0 0 0 0 0 0 0 PRESSAVG: 627800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 627800 0 0 0 0 0 0 0 0 0 TIMING: 627800 CPU: 2482.59, 0.00395045/step Wall: 2482.59, 0.00395045/step, 2.05445 hours remaining, 112.183594 MB of memory in use. ENERGY: 627800 653.6459 1807.4863 2040.5156 106.0422 -0.1277 -1085.7930 0.0000 0.0000 2810.0268 6331.7962 310.3753 3521.7694 6364.2384 305.0679 PRESSURE: 628000 0 0 0 0 0 0 0 0 0 GPRESSURE: 628000 0 0 0 0 0 0 0 0 0 PRESSAVG: 628000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 628000 0 0 0 0 0 0 0 0 0 TIMING: 628000 CPU: 2483.38, 0.0039437/step Wall: 2483.38, 0.0039437/step, 2.05072 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 628000 651.2420 1861.9361 2034.4431 114.1117 -0.2330 -1048.4656 0.0000 0.0000 2687.4465 6300.4808 296.8360 3613.0343 6332.8708 303.3021 PRESSURE: 628200 0 0 0 0 0 0 0 0 0 GPRESSURE: 628200 0 0 0 0 0 0 0 0 0 PRESSAVG: 628200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 628200 0 0 0 0 0 0 0 0 0 TIMING: 628200 CPU: 2484.17, 0.00394958/step Wall: 2484.17, 0.00394958/step, 2.05356 hours remaining, 112.183594 MB of memory in use. ENERGY: 628200 661.3043 1809.9855 2020.1186 109.6991 1.8913 -1096.7491 0.0000 0.0000 2778.7312 6284.9809 306.9186 3506.2497 6322.1810 301.2634 LDB: ============= START OF LOAD BALANCING ============== 2487.13 LDB: ============== END OF LOAD BALANCING =============== 2487.13 LDB: =============== DONE WITH MIGRATION ================ 2487.13 LDB: ============= START OF LOAD BALANCING ============== 2487.53 LDB: ============== END OF LOAD BALANCING =============== 2487.53 LDB: =============== DONE WITH MIGRATION ================ 2487.53 PRESSURE: 628400 0 0 0 0 0 0 0 0 0 GPRESSURE: 628400 0 0 0 0 0 0 0 0 0 PRESSAVG: 628400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 628400 0 0 0 0 0 0 0 0 0 TIMING: 628400 CPU: 2484.96, 0.00395162/step Wall: 2484.96, 0.00395162/step, 2.0544 hours remaining, 112.183594 MB of memory in use. ENERGY: 628400 626.0472 1835.9875 1990.3149 103.4635 -0.5875 -1073.7881 0.0000 0.0000 2775.0950 6256.5324 306.5170 3481.4375 6293.8432 300.7789 PRESSURE: 628600 0 0 0 0 0 0 0 0 0 GPRESSURE: 628600 0 0 0 0 0 0 0 0 0 PRESSAVG: 628600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 628600 0 0 0 0 0 0 0 0 0 TIMING: 628600 CPU: 2485.75, 0.00395191/step Wall: 2485.75, 0.00395191/step, 2.05434 hours remaining, 112.183594 MB of memory in use. ENERGY: 628600 624.3532 1816.8074 1995.0000 109.5315 -0.9545 -1092.6744 0.0000 0.0000 2713.7605 6165.8237 299.7424 3452.0632 6197.8220 298.2877 PRESSURE: 628800 0 0 0 0 0 0 0 0 0 GPRESSURE: 628800 0 0 0 0 0 0 0 0 0 PRESSAVG: 628800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 628800 0 0 0 0 0 0 0 0 0 TIMING: 628800 CPU: 2486.54, 0.00395348/step Wall: 2486.54, 0.00395348/step, 2.05493 hours remaining, 112.183594 MB of memory in use. ENERGY: 628800 655.6782 1764.0109 2019.4979 110.0431 0.2697 -1082.3544 0.0000 0.0000 2714.3856 6181.5311 299.8115 3467.1454 6215.2463 296.8879 PRESSURE: 629000 0 0 0 0 0 0 0 0 0 GPRESSURE: 629000 0 0 0 0 0 0 0 0 0 PRESSAVG: 629000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 629000 0 0 0 0 0 0 0 0 0 TIMING: 629000 CPU: 2487.33, 0.00394394/step Wall: 2487.33, 0.00394394/step, 2.04975 hours remaining, 112.183594 MB of memory in use. ENERGY: 629000 629.0916 1813.0637 2033.9887 117.6572 -0.0638 -1099.2894 0.0000 0.0000 2659.5581 6154.0061 293.7556 3494.4480 6185.6136 294.9325 PRESSURE: 629200 0 0 0 0 0 0 0 0 0 GPRESSURE: 629200 0 0 0 0 0 0 0 0 0 PRESSAVG: 629200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 629200 0 0 0 0 0 0 0 0 0 TIMING: 629200 CPU: 2488.12, 0.00394982/step Wall: 2488.12, 0.00394982/step, 2.05259 hours remaining, 112.183594 MB of memory in use. ENERGY: 629200 663.0569 1848.6056 1975.3472 111.0359 -0.5598 -1066.7437 0.0000 0.0000 2667.6225 6198.3647 294.6463 3530.7422 6231.1784 296.9298 PRESSURE: 629400 0 0 0 0 0 0 0 0 0 GPRESSURE: 629400 0 0 0 0 0 0 0 0 0 PRESSAVG: 629400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 629400 0 0 0 0 0 0 0 0 0 TIMING: 629400 CPU: 2488.91, 0.00394961/step Wall: 2488.91, 0.00394961/step, 2.05226 hours remaining, 112.183594 MB of memory in use. ENERGY: 629400 646.0025 1826.3645 1998.2782 106.8074 -1.2132 -1073.3695 0.0000 0.0000 2689.7304 6192.6003 297.0882 3502.8699 6226.5734 297.1097 PRESSURE: 629600 0 0 0 0 0 0 0 0 0 GPRESSURE: 629600 0 0 0 0 0 0 0 0 0 PRESSAVG: 629600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 629600 0 0 0 0 0 0 0 0 0 TIMING: 629600 CPU: 2489.7, 0.00395076/step Wall: 2489.7, 0.00395076/step, 2.05264 hours remaining, 112.183594 MB of memory in use. ENERGY: 629600 644.9891 1853.0462 1997.2904 99.7260 0.0567 -1087.9600 0.0000 0.0000 2706.7324 6213.8809 298.9661 3507.1485 6248.6192 297.8046 PRESSURE: 629800 0 0 0 0 0 0 0 0 0 GPRESSURE: 629800 0 0 0 0 0 0 0 0 0 PRESSAVG: 629800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 629800 0 0 0 0 0 0 0 0 0 TIMING: 629800 CPU: 2490.49, 0.00394495/step Wall: 2490.49, 0.00394495/step, 2.0494 hours remaining, 112.183594 MB of memory in use. ENERGY: 629800 655.7658 1801.4563 1999.9123 107.6461 -1.3616 -1071.4925 0.0000 0.0000 2651.1423 6143.0686 292.8260 3491.9264 6174.7204 297.3618 PRESSURE: 630000 0 0 0 0 0 0 0 0 0 GPRESSURE: 630000 0 0 0 0 0 0 0 0 0 PRESSAVG: 630000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 630000 0 0 0 0 0 0 0 0 0 TIMING: 630000 CPU: 2491.28, 0.00395167/step Wall: 2491.28, 0.00395167/step, 2.05267 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 630000 657.4575 1835.4177 1986.6653 116.3339 -0.5433 -1050.9398 0.0000 0.0000 2626.5399 6170.9312 290.1087 3544.3913 6203.5703 295.0540 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 630000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 630000 WRITING COORDINATES TO RESTART FILE AT STEP 630000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 630000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 630200 0 0 0 0 0 0 0 0 0 GPRESSURE: 630200 0 0 0 0 0 0 0 0 0 PRESSAVG: 630200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 630200 0 0 0 0 0 0 0 0 0 TIMING: 630200 CPU: 2492.11, 0.00417041/step Wall: 2492.11, 0.00417041/step, 2.16606 hours remaining, 112.183594 MB of memory in use. ENERGY: 630200 657.5246 1841.5395 1956.3568 103.8898 0.4197 -1038.4502 0.0000 0.0000 2640.0421 6161.3222 291.6000 3521.2801 6193.2593 294.1479 PRESSURE: 630400 0 0 0 0 0 0 0 0 0 GPRESSURE: 630400 0 0 0 0 0 0 0 0 0 PRESSAVG: 630400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 630400 0 0 0 0 0 0 0 0 0 TIMING: 630400 CPU: 2492.9, 0.00395008/step Wall: 2492.9, 0.00395008/step, 2.05141 hours remaining, 112.183594 MB of memory in use. ENERGY: 630400 631.6795 1843.9785 1973.9125 108.3205 0.0095 -1048.7601 0.0000 0.0000 2629.5620 6138.7025 290.4424 3509.1405 6170.3186 293.4152 PRESSURE: 630600 0 0 0 0 0 0 0 0 0 GPRESSURE: 630600 0 0 0 0 0 0 0 0 0 PRESSAVG: 630600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 630600 0 0 0 0 0 0 0 0 0 TIMING: 630600 CPU: 2493.7, 0.00395141/step Wall: 2493.7, 0.00395141/step, 2.05188 hours remaining, 112.183594 MB of memory in use. ENERGY: 630600 657.4236 1823.4473 1994.5754 105.2632 0.6081 -1074.0047 0.0000 0.0000 2705.0199 6212.3328 298.7770 3507.3129 6244.4288 297.1056 PRESSURE: 630800 0 0 0 0 0 0 0 0 0 GPRESSURE: 630800 0 0 0 0 0 0 0 0 0 PRESSAVG: 630800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 630800 0 0 0 0 0 0 0 0 0 TIMING: 630800 CPU: 2494.48, 0.00394445/step Wall: 2494.48, 0.00394445/step, 2.04805 hours remaining, 112.183594 MB of memory in use. ENERGY: 630800 670.2478 1842.7773 1996.0834 103.7901 0.0463 -1043.3234 0.0000 0.0000 2624.4352 6194.0567 289.8762 3569.6215 6224.6879 297.7326 PRESSURE: 631000 0 0 0 0 0 0 0 0 0 GPRESSURE: 631000 0 0 0 0 0 0 0 0 0 PRESSAVG: 631000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 631000 0 0 0 0 0 0 0 0 0 TIMING: 631000 CPU: 2495.27, 0.00395096/step Wall: 2495.27, 0.00395096/step, 2.05121 hours remaining, 112.183594 MB of memory in use. ENERGY: 631000 679.5020 1833.7688 1986.9535 111.6955 0.2104 -1059.3555 0.0000 0.0000 2656.9100 6209.6848 293.4631 3552.7748 6242.4023 295.7625 PRESSURE: 631200 0 0 0 0 0 0 0 0 0 GPRESSURE: 631200 0 0 0 0 0 0 0 0 0 PRESSAVG: 631200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 631200 0 0 0 0 0 0 0 0 0 TIMING: 631200 CPU: 2496.06, 0.00395129/step Wall: 2496.06, 0.00395129/step, 2.05116 hours remaining, 112.183594 MB of memory in use. ENERGY: 631200 683.8628 1781.9981 1979.0357 95.2940 0.0841 -1046.7565 0.0000 0.0000 2726.6112 6220.1294 301.1618 3493.5182 6253.8290 298.4050 PRESSURE: 631400 0 0 0 0 0 0 0 0 0 GPRESSURE: 631400 0 0 0 0 0 0 0 0 0 PRESSAVG: 631400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 631400 0 0 0 0 0 0 0 0 0 TIMING: 631400 CPU: 2496.85, 0.00395108/step Wall: 2496.85, 0.00395108/step, 2.05083 hours remaining, 112.183594 MB of memory in use. ENERGY: 631400 678.6167 1838.8539 1983.6444 110.2488 -1.5858 -1048.3800 0.0000 0.0000 2719.7669 6281.1649 300.4058 3561.3980 6315.2945 300.4607 PRESSURE: 631600 0 0 0 0 0 0 0 0 0 GPRESSURE: 631600 0 0 0 0 0 0 0 0 0 PRESSAVG: 631600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 631600 0 0 0 0 0 0 0 0 0 TIMING: 631600 CPU: 2497.65, 0.00395365/step Wall: 2497.65, 0.00395365/step, 2.05195 hours remaining, 112.183594 MB of memory in use. ENERGY: 631600 656.8796 1770.4587 2010.3605 108.9545 -1.3368 -1011.7834 0.0000 0.0000 2663.8377 6197.3709 294.2283 3533.5332 6231.8390 298.3967 PRESSURE: 631800 0 0 0 0 0 0 0 0 0 GPRESSURE: 631800 0 0 0 0 0 0 0 0 0 PRESSAVG: 631800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 631800 0 0 0 0 0 0 0 0 0 TIMING: 631800 CPU: 2498.43, 0.00394656/step Wall: 2498.43, 0.00394656/step, 2.04805 hours remaining, 112.183594 MB of memory in use. ENERGY: 631800 618.2833 1819.5778 1991.1242 122.7438 -1.2269 -1014.0184 0.0000 0.0000 2717.2164 6253.7003 300.1241 3536.4839 6284.7326 298.7321 PRESSURE: 632000 0 0 0 0 0 0 0 0 0 GPRESSURE: 632000 0 0 0 0 0 0 0 0 0 PRESSAVG: 632000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 632000 0 0 0 0 0 0 0 0 0 TIMING: 632000 CPU: 2499.23, 0.00395801/step Wall: 2499.23, 0.00395801/step, 2.05377 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 632000 627.5955 1840.8789 1988.3888 121.4407 -2.0424 -1052.0965 0.0000 0.0000 2706.6876 6230.8525 298.9612 3524.1649 6267.4422 299.9490 PRESSURE: 632200 0 0 0 0 0 0 0 0 0 GPRESSURE: 632200 0 0 0 0 0 0 0 0 0 PRESSAVG: 632200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 632200 0 0 0 0 0 0 0 0 0 TIMING: 632200 CPU: 2500.02, 0.00394803/step Wall: 2500.02, 0.00394803/step, 2.04837 hours remaining, 112.183594 MB of memory in use. ENERGY: 632200 703.3282 1752.2182 1986.9351 109.4365 0.6176 -1059.5506 0.0000 0.0000 2705.6390 6198.6239 298.8454 3492.9850 6231.0156 297.0359 LDB: ============= START OF LOAD BALANCING ============== 2502.97 LDB: ============== END OF LOAD BALANCING =============== 2502.97 LDB: =============== DONE WITH MIGRATION ================ 2502.98 LDB: ============= START OF LOAD BALANCING ============== 2503.37 LDB: ============== END OF LOAD BALANCING =============== 2503.37 LDB: =============== DONE WITH MIGRATION ================ 2503.37 PRESSURE: 632400 0 0 0 0 0 0 0 0 0 GPRESSURE: 632400 0 0 0 0 0 0 0 0 0 PRESSAVG: 632400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 632400 0 0 0 0 0 0 0 0 0 TIMING: 632400 CPU: 2500.81, 0.00395193/step Wall: 2500.81, 0.00395193/step, 2.05017 hours remaining, 112.183594 MB of memory in use. ENERGY: 632400 608.5427 1840.1072 2020.0114 114.0570 -0.2600 -1070.2815 0.0000 0.0000 2702.7087 6214.8855 298.5217 3512.1768 6246.8118 298.5905 PRESSURE: 632600 0 0 0 0 0 0 0 0 0 GPRESSURE: 632600 0 0 0 0 0 0 0 0 0 PRESSAVG: 632600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 632600 0 0 0 0 0 0 0 0 0 TIMING: 632600 CPU: 2501.6, 0.00395908/step Wall: 2501.6, 0.00395908/step, 2.05366 hours remaining, 112.183594 MB of memory in use. ENERGY: 632600 654.8163 1818.4079 2023.0631 105.9925 -0.2949 -1042.8083 0.0000 0.0000 2743.7700 6302.9467 303.0570 3559.1767 6335.2328 300.9375 PRESSURE: 632800 0 0 0 0 0 0 0 0 0 GPRESSURE: 632800 0 0 0 0 0 0 0 0 0 PRESSAVG: 632800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 632800 0 0 0 0 0 0 0 0 0 TIMING: 632800 CPU: 2502.39, 0.00394675/step Wall: 2502.39, 0.00394675/step, 2.04705 hours remaining, 112.183594 MB of memory in use. ENERGY: 632800 659.1341 1867.4879 2003.1174 108.8412 -0.1741 -1055.1132 0.0000 0.0000 2762.8830 6346.1761 305.1681 3583.2931 6380.2529 303.8917 PRESSURE: 633000 0 0 0 0 0 0 0 0 0 GPRESSURE: 633000 0 0 0 0 0 0 0 0 0 PRESSAVG: 633000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 633000 0 0 0 0 0 0 0 0 0 TIMING: 633000 CPU: 2503.18, 0.00395253/step Wall: 2503.18, 0.00395253/step, 2.04983 hours remaining, 112.183594 MB of memory in use. ENERGY: 633000 687.9357 1817.8320 1981.3517 111.3079 -0.5014 -1079.4314 0.0000 0.0000 2799.1141 6317.6086 309.1700 3518.4945 6354.9488 305.7265 PRESSURE: 633200 0 0 0 0 0 0 0 0 0 GPRESSURE: 633200 0 0 0 0 0 0 0 0 0 PRESSAVG: 633200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 633200 0 0 0 0 0 0 0 0 0 TIMING: 633200 CPU: 2503.97, 0.00394941/step Wall: 2503.97, 0.0039494/step, 2.04799 hours remaining, 112.183594 MB of memory in use. ENERGY: 633200 668.7481 1811.9094 2004.6327 109.9679 -1.0769 -1071.6150 0.0000 0.0000 2787.1042 6309.6705 307.8434 3522.5663 6346.7577 305.2043 PRESSURE: 633400 0 0 0 0 0 0 0 0 0 GPRESSURE: 633400 0 0 0 0 0 0 0 0 0 PRESSAVG: 633400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 633400 0 0 0 0 0 0 0 0 0 TIMING: 633400 CPU: 2504.76, 0.00394686/step Wall: 2504.76, 0.00394686/step, 2.04645 hours remaining, 112.183594 MB of memory in use. ENERGY: 633400 669.8542 1834.8518 2023.3905 105.0170 -1.6102 -1019.5960 0.0000 0.0000 2707.3735 6319.2808 299.0369 3611.9073 6351.7095 302.6729 PRESSURE: 633600 0 0 0 0 0 0 0 0 0 GPRESSURE: 633600 0 0 0 0 0 0 0 0 0 PRESSAVG: 633600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 633600 0 0 0 0 0 0 0 0 0 TIMING: 633600 CPU: 2505.55, 0.00394267/step Wall: 2505.55, 0.00394267/step, 2.04405 hours remaining, 112.183594 MB of memory in use. ENERGY: 633600 636.7983 1852.8442 2001.1374 110.1603 0.0890 -1022.9418 0.0000 0.0000 2780.6493 6358.7367 307.1305 3578.0874 6392.5081 304.1409 PRESSURE: 633800 0 0 0 0 0 0 0 0 0 GPRESSURE: 633800 0 0 0 0 0 0 0 0 0 PRESSAVG: 633800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 633800 0 0 0 0 0 0 0 0 0 TIMING: 633800 CPU: 2506.34, 0.00394847/step Wall: 2506.34, 0.00394847/step, 2.04685 hours remaining, 112.183594 MB of memory in use. ENERGY: 633800 682.9497 1903.7739 1959.9425 114.8248 0.8738 -1056.7119 0.0000 0.0000 2715.4307 6321.0834 299.9269 3605.6527 6353.6388 306.0279 PRESSURE: 634000 0 0 0 0 0 0 0 0 0 GPRESSURE: 634000 0 0 0 0 0 0 0 0 0 PRESSAVG: 634000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 634000 0 0 0 0 0 0 0 0 0 TIMING: 634000 CPU: 2507.13, 0.00394858/step Wall: 2507.13, 0.00394858/step, 2.04668 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 634000 669.6794 1875.8618 2003.7296 125.3987 0.2850 -1045.1472 0.0000 0.0000 2734.8225 6364.6297 302.0688 3629.8073 6399.8811 306.0056 PRESSURE: 634200 0 0 0 0 0 0 0 0 0 GPRESSURE: 634200 0 0 0 0 0 0 0 0 0 PRESSAVG: 634200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 634200 0 0 0 0 0 0 0 0 0 TIMING: 634200 CPU: 2507.91, 0.00394662/step Wall: 2507.91, 0.00394662/step, 2.04545 hours remaining, 112.183594 MB of memory in use. ENERGY: 634200 701.1794 1825.1191 2000.1266 116.5381 0.5792 -1071.5125 0.0000 0.0000 2791.1687 6363.1986 308.2924 3572.0298 6395.0649 307.8911 PRESSURE: 634400 0 0 0 0 0 0 0 0 0 GPRESSURE: 634400 0 0 0 0 0 0 0 0 0 PRESSAVG: 634400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 634400 0 0 0 0 0 0 0 0 0 TIMING: 634400 CPU: 2508.7, 0.00394656/step Wall: 2508.7, 0.00394656/step, 2.0452 hours remaining, 112.183594 MB of memory in use. ENERGY: 634400 675.0023 1824.5184 2016.0699 110.1292 0.5528 -1075.2014 0.0000 0.0000 2732.9765 6284.0478 301.8649 3551.0713 6315.8918 305.3753 PRESSURE: 634600 0 0 0 0 0 0 0 0 0 GPRESSURE: 634600 0 0 0 0 0 0 0 0 0 PRESSAVG: 634600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 634600 0 0 0 0 0 0 0 0 0 TIMING: 634600 CPU: 2509.49, 0.00394339/step Wall: 2509.49, 0.00394339/step, 2.04333 hours remaining, 112.183594 MB of memory in use. ENERGY: 634600 642.5785 1809.6466 1990.1937 92.1481 -1.1916 -1091.4420 0.0000 0.0000 2802.4690 6244.4023 309.5405 3441.9333 6281.3106 303.7821 PRESSURE: 634800 0 0 0 0 0 0 0 0 0 GPRESSURE: 634800 0 0 0 0 0 0 0 0 0 PRESSAVG: 634800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 634800 0 0 0 0 0 0 0 0 0 TIMING: 634800 CPU: 2510.28, 0.00394817/step Wall: 2510.28, 0.00394817/step, 2.04559 hours remaining, 112.183594 MB of memory in use. ENERGY: 634800 645.3533 1807.3772 2014.4508 118.7926 -1.0052 -1112.1335 0.0000 0.0000 2699.6591 6172.4943 298.1849 3472.8352 6205.4721 300.6328 PRESSURE: 635000 0 0 0 0 0 0 0 0 0 GPRESSURE: 635000 0 0 0 0 0 0 0 0 0 PRESSAVG: 635000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 635000 0 0 0 0 0 0 0 0 0 TIMING: 635000 CPU: 2511.07, 0.00394871/step Wall: 2511.07, 0.00394871/step, 2.04565 hours remaining, 112.183594 MB of memory in use. ENERGY: 635000 679.7261 1806.6890 1978.2941 105.8036 0.0748 -1075.5006 0.0000 0.0000 2648.1425 6143.2295 292.4947 3495.0870 6173.1766 295.1074 PRESSURE: 635200 0 0 0 0 0 0 0 0 0 GPRESSURE: 635200 0 0 0 0 0 0 0 0 0 PRESSAVG: 635200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 635200 0 0 0 0 0 0 0 0 0 TIMING: 635200 CPU: 2511.86, 0.00394665/step Wall: 2511.86, 0.00394665/step, 2.04436 hours remaining, 112.183594 MB of memory in use. ENERGY: 635200 618.3406 1812.4478 1977.2461 103.9041 0.2086 -1035.2579 0.0000 0.0000 2694.1825 6171.0719 297.5800 3476.8894 6203.1457 296.6561 PRESSURE: 635400 0 0 0 0 0 0 0 0 0 GPRESSURE: 635400 0 0 0 0 0 0 0 0 0 PRESSAVG: 635400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 635400 0 0 0 0 0 0 0 0 0 TIMING: 635400 CPU: 2512.65, 0.00394681/step Wall: 2512.65, 0.00394681/step, 2.04423 hours remaining, 112.183594 MB of memory in use. ENERGY: 635400 640.7094 1823.0849 1984.5197 103.2552 0.4609 -1062.1025 0.0000 0.0000 2647.8679 6137.7954 292.4644 3489.9275 6170.2008 295.2465 PRESSURE: 635600 0 0 0 0 0 0 0 0 0 GPRESSURE: 635600 0 0 0 0 0 0 0 0 0 PRESSAVG: 635600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 635600 0 0 0 0 0 0 0 0 0 TIMING: 635600 CPU: 2513.44, 0.00394318/step Wall: 2513.44, 0.00394318/step, 2.04213 hours remaining, 112.183594 MB of memory in use. ENERGY: 635600 628.2273 1838.8724 1984.3023 98.8127 -1.7903 -1065.8327 0.0000 0.0000 2686.0075 6168.5992 296.6770 3482.5917 6199.9528 297.2769 PRESSURE: 635800 0 0 0 0 0 0 0 0 0 GPRESSURE: 635800 0 0 0 0 0 0 0 0 0 PRESSAVG: 635800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 635800 0 0 0 0 0 0 0 0 0 TIMING: 635800 CPU: 2514.23, 0.00394638/step Wall: 2514.23, 0.00394638/step, 2.04357 hours remaining, 112.183594 MB of memory in use. ENERGY: 635800 643.8544 1787.3077 2012.3479 108.7751 -1.4108 -1073.4412 0.0000 0.0000 2669.7813 6147.2145 294.8848 3477.4331 6180.7495 296.4480 PRESSURE: 636000 0 0 0 0 0 0 0 0 0 GPRESSURE: 636000 0 0 0 0 0 0 0 0 0 PRESSAVG: 636000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 636000 0 0 0 0 0 0 0 0 0 TIMING: 636000 CPU: 2515.02, 0.00394726/step Wall: 2515.02, 0.00394726/step, 2.0438 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 636000 648.4204 1838.0251 1966.3648 106.0491 -1.0650 -1068.8616 0.0000 0.0000 2621.6191 6110.5519 289.5651 3488.9327 6139.4268 293.7836 PRESSURE: 636200 0 0 0 0 0 0 0 0 0 GPRESSURE: 636200 0 0 0 0 0 0 0 0 0 PRESSAVG: 636200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 636200 0 0 0 0 0 0 0 0 0 TIMING: 636200 CPU: 2515.81, 0.00394592/step Wall: 2515.81, 0.00394591/step, 2.04289 hours remaining, 112.183594 MB of memory in use. ENERGY: 636200 654.4644 1775.9287 1995.5260 111.0461 -0.9636 -1040.4300 0.0000 0.0000 2663.5793 6159.1508 294.1998 3495.5715 6187.2022 295.0164 LDB: ============= START OF LOAD BALANCING ============== 2518.77 LDB: ============== END OF LOAD BALANCING =============== 2518.77 LDB: =============== DONE WITH MIGRATION ================ 2518.77 LDB: ============= START OF LOAD BALANCING ============== 2519.16 LDB: ============== END OF LOAD BALANCING =============== 2519.16 LDB: =============== DONE WITH MIGRATION ================ 2519.16 PRESSURE: 636400 0 0 0 0 0 0 0 0 0 GPRESSURE: 636400 0 0 0 0 0 0 0 0 0 PRESSAVG: 636400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 636400 0 0 0 0 0 0 0 0 0 TIMING: 636400 CPU: 2516.6, 0.00395105/step Wall: 2516.6, 0.00395106/step, 2.04533 hours remaining, 112.183594 MB of memory in use. ENERGY: 636400 661.7083 1760.7183 1951.8043 107.2607 -0.2621 -1015.1943 0.0000 0.0000 2705.4173 6171.4524 298.8209 3466.0351 6202.2338 295.9429 PRESSURE: 636600 0 0 0 0 0 0 0 0 0 GPRESSURE: 636600 0 0 0 0 0 0 0 0 0 PRESSAVG: 636600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 636600 0 0 0 0 0 0 0 0 0 TIMING: 636600 CPU: 2517.39, 0.00394239/step Wall: 2517.39, 0.00394239/step, 2.04063 hours remaining, 112.183594 MB of memory in use. ENERGY: 636600 626.6552 1826.9446 1976.4323 106.3270 -0.7625 -1042.9990 0.0000 0.0000 2644.6592 6137.2569 292.1100 3492.5976 6167.0712 296.1839 PRESSURE: 636800 0 0 0 0 0 0 0 0 0 GPRESSURE: 636800 0 0 0 0 0 0 0 0 0 PRESSAVG: 636800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 636800 0 0 0 0 0 0 0 0 0 TIMING: 636800 CPU: 2518.18, 0.00394659/step Wall: 2518.18, 0.00394659/step, 2.04258 hours remaining, 112.183594 MB of memory in use. ENERGY: 636800 650.2616 1826.4829 1983.6197 109.2416 -1.0131 -1093.8343 0.0000 0.0000 2693.2765 6168.0348 297.4799 3474.7583 6202.1909 295.7701 PRESSURE: 637000 0 0 0 0 0 0 0 0 0 GPRESSURE: 637000 0 0 0 0 0 0 0 0 0 PRESSAVG: 637000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 637000 0 0 0 0 0 0 0 0 0 TIMING: 637000 CPU: 2518.96, 0.0039471/step Wall: 2518.96, 0.0039471/step, 2.04262 hours remaining, 112.183594 MB of memory in use. ENERGY: 637000 644.4581 1792.6747 2014.2850 114.6816 -0.6705 -1098.2192 0.0000 0.0000 2663.5926 6130.8022 294.2012 3467.2096 6162.4422 294.5287 PRESSURE: 637200 0 0 0 0 0 0 0 0 0 GPRESSURE: 637200 0 0 0 0 0 0 0 0 0 PRESSAVG: 637200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 637200 0 0 0 0 0 0 0 0 0 TIMING: 637200 CPU: 2519.75, 0.00394837/step Wall: 2519.75, 0.00394837/step, 2.04306 hours remaining, 112.183594 MB of memory in use. ENERGY: 637200 637.6005 1821.7544 1975.2225 110.0776 -0.9068 -1051.7193 0.0000 0.0000 2710.3926 6202.4215 299.3704 3492.0289 6232.4776 296.1967 PRESSURE: 637400 0 0 0 0 0 0 0 0 0 GPRESSURE: 637400 0 0 0 0 0 0 0 0 0 PRESSAVG: 637400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 637400 0 0 0 0 0 0 0 0 0 TIMING: 637400 CPU: 2520.54, 0.00394255/step Wall: 2520.54, 0.00394255/step, 2.03983 hours remaining, 112.183594 MB of memory in use. ENERGY: 637400 656.6272 1822.3861 2002.3726 107.1275 -1.5710 -1034.7101 0.0000 0.0000 2646.0889 6198.3212 292.2679 3552.2323 6229.7632 298.2525 PRESSURE: 637600 0 0 0 0 0 0 0 0 0 GPRESSURE: 637600 0 0 0 0 0 0 0 0 0 PRESSAVG: 637600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 637600 0 0 0 0 0 0 0 0 0 TIMING: 637600 CPU: 2521.33, 0.0039474/step Wall: 2521.33, 0.0039474/step, 2.04212 hours remaining, 112.183594 MB of memory in use. ENERGY: 637600 650.5616 1805.4106 2001.8256 114.3203 -0.0758 -1088.7202 0.0000 0.0000 2675.6484 6158.9706 295.5328 3483.3222 6192.7627 295.6181 PRESSURE: 637800 0 0 0 0 0 0 0 0 0 GPRESSURE: 637800 0 0 0 0 0 0 0 0 0 PRESSAVG: 637800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 637800 0 0 0 0 0 0 0 0 0 TIMING: 637800 CPU: 2522.12, 0.00394804/step Wall: 2522.12, 0.00394804/step, 2.04223 hours remaining, 112.183594 MB of memory in use. ENERGY: 637800 646.5078 1777.5042 1985.8971 105.8616 -1.3292 -1093.5345 0.0000 0.0000 2723.3601 6144.2671 300.8027 3420.9070 6180.0234 294.4160 PRESSURE: 638000 0 0 0 0 0 0 0 0 0 GPRESSURE: 638000 0 0 0 0 0 0 0 0 0 PRESSAVG: 638000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 638000 0 0 0 0 0 0 0 0 0 TIMING: 638000 CPU: 2522.91, 0.00394628/step Wall: 2522.91, 0.00394628/step, 2.0411 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 638000 670.8825 1812.8263 1962.0998 101.6528 -0.6230 -1065.3715 0.0000 0.0000 2679.7582 6161.2250 295.9868 3481.4668 6191.9078 297.0542 PRESSURE: 638200 0 0 0 0 0 0 0 0 0 GPRESSURE: 638200 0 0 0 0 0 0 0 0 0 PRESSAVG: 638200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 638200 0 0 0 0 0 0 0 0 0 TIMING: 638200 CPU: 2523.7, 0.00394646/step Wall: 2523.7, 0.00394645/step, 2.04097 hours remaining, 112.183594 MB of memory in use. ENERGY: 638200 664.3605 1826.6028 1990.0367 112.7000 -0.8461 -1090.0888 0.0000 0.0000 2709.4561 6212.2210 299.2670 3502.7649 6248.3364 297.5514 PRESSURE: 638400 0 0 0 0 0 0 0 0 0 GPRESSURE: 638400 0 0 0 0 0 0 0 0 0 PRESSAVG: 638400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 638400 0 0 0 0 0 0 0 0 0 TIMING: 638400 CPU: 2524.49, 0.0039423/step Wall: 2524.49, 0.00394231/step, 2.03861 hours remaining, 112.183594 MB of memory in use. ENERGY: 638400 676.4748 1788.5419 1973.4492 105.7425 0.0130 -1075.1476 0.0000 0.0000 2713.7607 6182.8346 299.7424 3469.0739 6218.5035 298.2290 PRESSURE: 638600 0 0 0 0 0 0 0 0 0 GPRESSURE: 638600 0 0 0 0 0 0 0 0 0 PRESSAVG: 638600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 638600 0 0 0 0 0 0 0 0 0 TIMING: 638600 CPU: 2525.28, 0.00394531/step Wall: 2525.28, 0.00394531/step, 2.03994 hours remaining, 112.183594 MB of memory in use. ENERGY: 638600 618.2378 1816.5549 1983.8659 109.5602 0.4514 -1057.6835 0.0000 0.0000 2696.9703 6167.9571 297.8879 3470.9869 6201.3008 296.7396 PRESSURE: 638800 0 0 0 0 0 0 0 0 0 GPRESSURE: 638800 0 0 0 0 0 0 0 0 0 PRESSAVG: 638800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 638800 0 0 0 0 0 0 0 0 0 TIMING: 638800 CPU: 2526.07, 0.00394861/step Wall: 2526.07, 0.00394861/step, 2.04143 hours remaining, 112.183594 MB of memory in use. ENERGY: 638800 633.3010 1850.2053 1950.3493 95.5261 0.5791 -1058.9714 0.0000 0.0000 2731.4150 6202.4044 301.6924 3470.9894 6235.8378 297.2985 PRESSURE: 639000 0 0 0 0 0 0 0 0 0 GPRESSURE: 639000 0 0 0 0 0 0 0 0 0 PRESSAVG: 639000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 639000 0 0 0 0 0 0 0 0 0 TIMING: 639000 CPU: 2526.86, 0.00394682/step Wall: 2526.86, 0.00394682/step, 2.04029 hours remaining, 112.183594 MB of memory in use. ENERGY: 639000 630.3037 1849.7941 1970.7290 112.2914 -0.4382 -1106.6786 0.0000 0.0000 2682.0079 6138.0092 296.2352 3456.0013 6169.1304 296.5134 PRESSURE: 639200 0 0 0 0 0 0 0 0 0 GPRESSURE: 639200 0 0 0 0 0 0 0 0 0 PRESSAVG: 639200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 639200 0 0 0 0 0 0 0 0 0 TIMING: 639200 CPU: 2527.65, 0.00394763/step Wall: 2527.65, 0.00394763/step, 2.04049 hours remaining, 112.183594 MB of memory in use. ENERGY: 639200 625.8349 1775.3346 1956.9584 124.1551 -0.3346 -1064.2557 0.0000 0.0000 2701.1899 6118.8826 298.3539 3417.6927 6153.3948 294.6272 PRESSURE: 639400 0 0 0 0 0 0 0 0 0 GPRESSURE: 639400 0 0 0 0 0 0 0 0 0 PRESSAVG: 639400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 639400 0 0 0 0 0 0 0 0 0 TIMING: 639400 CPU: 2528.43, 0.00394182/step Wall: 2528.43, 0.00394181/step, 2.03726 hours remaining, 112.183594 MB of memory in use. ENERGY: 639400 628.2322 1846.5327 1991.6701 108.9124 0.5020 -1084.9798 0.0000 0.0000 2668.5370 6159.4066 294.7473 3490.8697 6193.8361 294.5031 PRESSURE: 639600 0 0 0 0 0 0 0 0 0 GPRESSURE: 639600 0 0 0 0 0 0 0 0 0 PRESSAVG: 639600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 639600 0 0 0 0 0 0 0 0 0 TIMING: 639600 CPU: 2529.22, 0.00394745/step Wall: 2529.22, 0.00394745/step, 2.03996 hours remaining, 112.183594 MB of memory in use. ENERGY: 639600 637.2147 1816.8440 1969.6465 106.4503 -0.2001 -1078.2868 0.0000 0.0000 2757.8162 6209.4848 304.6085 3451.6686 6245.4134 297.7648 PRESSURE: 639800 0 0 0 0 0 0 0 0 0 GPRESSURE: 639800 0 0 0 0 0 0 0 0 0 PRESSAVG: 639800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 639800 0 0 0 0 0 0 0 0 0 TIMING: 639800 CPU: 2530.01, 0.00394794/step Wall: 2530.01, 0.00394794/step, 2.03999 hours remaining, 112.183594 MB of memory in use. ENERGY: 639800 662.2489 1794.0557 1978.2962 97.9274 0.6614 -1034.8281 0.0000 0.0000 2684.9243 6183.2858 296.5574 3498.3615 6215.6651 298.0823 PRESSURE: 640000 0 0 0 0 0 0 0 0 0 GPRESSURE: 640000 0 0 0 0 0 0 0 0 0 PRESSAVG: 640000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 640000 0 0 0 0 0 0 0 0 0 TIMING: 640000 CPU: 2530.8, 0.00394914/step Wall: 2530.8, 0.00394914/step, 2.04039 hours remaining, 112.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 640000 647.2215 1808.7342 1966.6131 121.9400 -0.7799 -1043.1078 0.0000 0.0000 2719.4626 6220.0838 300.3722 3500.6212 6257.1274 297.5296 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 640000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 640000 WRITING COORDINATES TO RESTART FILE AT STEP 640000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 640000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 640200 0 0 0 0 0 0 0 0 0 GPRESSURE: 640200 0 0 0 0 0 0 0 0 0 PRESSAVG: 640200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 640200 0 0 0 0 0 0 0 0 0 TIMING: 640200 CPU: 2531.63, 0.00413539/step Wall: 2531.63, 0.00413539/step, 2.13639 hours remaining, 112.183594 MB of memory in use. ENERGY: 640200 681.9249 1790.6551 2017.1805 108.2670 -0.4399 -1043.3248 0.0000 0.0000 2681.1775 6235.4403 296.1435 3554.2628 6268.4273 299.1443 LDB: ============= START OF LOAD BALANCING ============== 2534.59 LDB: ============== END OF LOAD BALANCING =============== 2534.59 LDB: =============== DONE WITH MIGRATION ================ 2534.59 LDB: ============= START OF LOAD BALANCING ============== 2534.98 LDB: ============== END OF LOAD BALANCING =============== 2534.98 LDB: =============== DONE WITH MIGRATION ================ 2534.98 PRESSURE: 640400 0 0 0 0 0 0 0 0 0 GPRESSURE: 640400 0 0 0 0 0 0 0 0 0 PRESSAVG: 640400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 640400 0 0 0 0 0 0 0 0 0 TIMING: 640400 CPU: 2532.42, 0.00394603/step Wall: 2532.42, 0.00394603/step, 2.03834 hours remaining, 112.183594 MB of memory in use. ENERGY: 640400 673.2543 1833.0550 1967.2965 98.4300 -0.3896 -1049.6078 0.0000 0.0000 2697.6661 6219.7044 297.9647 3522.0383 6253.7476 299.3771 PRESSURE: 640600 0 0 0 0 0 0 0 0 0 GPRESSURE: 640600 0 0 0 0 0 0 0 0 0 PRESSAVG: 640600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 640600 0 0 0 0 0 0 0 0 0 TIMING: 640600 CPU: 2533.21, 0.00394724/step Wall: 2533.21, 0.00394724/step, 2.03875 hours remaining, 112.183594 MB of memory in use. ENERGY: 640600 654.4592 1857.7850 2006.1591 97.1635 -0.7913 -1080.5080 0.0000 0.0000 2771.7997 6306.0672 306.1530 3534.2675 6341.2618 303.2815 PRESSURE: 640800 0 0 0 0 0 0 0 0 0 GPRESSURE: 640800 0 0 0 0 0 0 0 0 0 PRESSAVG: 640800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 640800 0 0 0 0 0 0 0 0 0 TIMING: 640800 CPU: 2534, 0.00394832/step Wall: 2534, 0.00394832/step, 2.03909 hours remaining, 112.183594 MB of memory in use. ENERGY: 640800 660.9765 1831.2987 1962.5041 105.4995 -0.6981 -1036.0240 0.0000 0.0000 2761.8941 6285.4507 305.0589 3523.5566 6315.9043 303.8761 PRESSURE: 641000 0 0 0 0 0 0 0 0 0 GPRESSURE: 641000 0 0 0 0 0 0 0 0 0 PRESSAVG: 641000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 641000 0 0 0 0 0 0 0 0 0 TIMING: 641000 CPU: 2534.79, 0.00394644/step Wall: 2534.79, 0.00394644/step, 2.0379 hours remaining, 112.183594 MB of memory in use. ENERGY: 641000 683.7974 1810.4020 2010.2685 99.6443 -0.1172 -1095.5127 0.0000 0.0000 2769.3326 6277.8149 305.8805 3508.4822 6315.6851 301.1958 PRESSURE: 641200 0 0 0 0 0 0 0 0 0 GPRESSURE: 641200 0 0 0 0 0 0 0 0 0 PRESSAVG: 641200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 641200 0 0 0 0 0 0 0 0 0 TIMING: 641200 CPU: 2535.58, 0.00394317/step Wall: 2535.58, 0.00394317/step, 2.03599 hours remaining, 112.187500 MB of memory in use. ENERGY: 641200 671.0324 1859.8234 2005.3955 121.9705 -1.6338 -1108.5315 0.0000 0.0000 2738.4196 6286.4761 302.4661 3548.0564 6318.2765 303.0122 PRESSURE: 641400 0 0 0 0 0 0 0 0 0 GPRESSURE: 641400 0 0 0 0 0 0 0 0 0 PRESSAVG: 641400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 641400 0 0 0 0 0 0 0 0 0 TIMING: 641400 CPU: 2536.37, 0.00394678/step Wall: 2536.37, 0.00394678/step, 2.03763 hours remaining, 112.187500 MB of memory in use. ENERGY: 641400 677.5884 1809.9833 1980.4466 105.9840 -0.0680 -1069.2025 0.0000 0.0000 2812.2826 6317.0145 310.6244 3504.7319 6349.1175 303.3080 PRESSURE: 641600 0 0 0 0 0 0 0 0 0 GPRESSURE: 641600 0 0 0 0 0 0 0 0 0 PRESSAVG: 641600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 641600 0 0 0 0 0 0 0 0 0 TIMING: 641600 CPU: 2537.16, 0.00394683/step Wall: 2537.16, 0.00394683/step, 2.03744 hours remaining, 112.187500 MB of memory in use. ENERGY: 641600 691.5139 1835.6662 1970.8298 113.3688 -2.1044 -1078.3190 0.0000 0.0000 2753.4511 6284.4065 304.1263 3530.9554 6317.5292 304.2865 PRESSURE: 641800 0 0 0 0 0 0 0 0 0 GPRESSURE: 641800 0 0 0 0 0 0 0 0 0 PRESSAVG: 641800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 641800 0 0 0 0 0 0 0 0 0 TIMING: 641800 CPU: 2537.95, 0.00394586/step Wall: 2537.95, 0.00394586/step, 2.03672 hours remaining, 112.187500 MB of memory in use. ENERGY: 641800 639.4846 1833.9303 2004.3550 110.1959 -0.5160 -1028.0417 0.0000 0.0000 2710.2965 6269.7046 299.3598 3559.4081 6301.9968 302.7129 PRESSURE: 642000 0 0 0 0 0 0 0 0 0 GPRESSURE: 642000 0 0 0 0 0 0 0 0 0 PRESSAVG: 642000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 642000 0 0 0 0 0 0 0 0 0 TIMING: 642000 CPU: 2538.74, 0.00395752/step Wall: 2538.74, 0.00395752/step, 2.04252 hours remaining, 112.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 642000 651.2818 1840.4118 1977.7737 100.7411 -0.1005 -1016.0075 0.0000 0.0000 2756.4021 6310.5025 304.4523 3554.1004 6340.8857 303.1950 PRESSURE: 642200 0 0 0 0 0 0 0 0 0 GPRESSURE: 642200 0 0 0 0 0 0 0 0 0 PRESSAVG: 642200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 642200 0 0 0 0 0 0 0 0 0 TIMING: 642200 CPU: 2539.52, 0.00394169/step Wall: 2539.52, 0.00394169/step, 2.03413 hours remaining, 112.187500 MB of memory in use. ENERGY: 642200 640.1202 1834.3422 1971.6020 105.6967 -1.4189 -1027.2005 0.0000 0.0000 2725.5231 6248.6647 301.0416 3523.1416 6282.1272 301.2865 PRESSURE: 642400 0 0 0 0 0 0 0 0 0 GPRESSURE: 642400 0 0 0 0 0 0 0 0 0 PRESSAVG: 642400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 642400 0 0 0 0 0 0 0 0 0 TIMING: 642400 CPU: 2540.31, 0.00394618/step Wall: 2540.31, 0.00394617/step, 2.03622 hours remaining, 112.187500 MB of memory in use. ENERGY: 642400 672.1173 1810.5546 1987.6425 121.2369 0.5055 -1083.8638 0.0000 0.0000 2780.8314 6289.0244 307.1506 3508.1930 6323.7036 300.0169 PRESSURE: 642600 0 0 0 0 0 0 0 0 0 GPRESSURE: 642600 0 0 0 0 0 0 0 0 0 PRESSAVG: 642600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 642600 0 0 0 0 0 0 0 0 0 TIMING: 642600 CPU: 2541.1, 0.00394624/step Wall: 2541.1, 0.00394625/step, 2.03604 hours remaining, 112.187500 MB of memory in use. ENERGY: 642600 659.8277 1804.4268 1988.2471 112.1953 -0.9563 -1139.0882 0.0000 0.0000 2807.4012 6232.0536 310.0853 3424.6524 6268.5587 301.8149 PRESSURE: 642800 0 0 0 0 0 0 0 0 0 GPRESSURE: 642800 0 0 0 0 0 0 0 0 0 PRESSAVG: 642800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 642800 0 0 0 0 0 0 0 0 0 TIMING: 642800 CPU: 2541.89, 0.00394671/step Wall: 2541.89, 0.00394671/step, 2.03607 hours remaining, 112.187500 MB of memory in use. ENERGY: 642800 644.9720 1876.8876 1991.5557 104.6067 -1.6613 -1081.5915 0.0000 0.0000 2648.5941 6183.3632 292.5446 3534.7691 6212.9239 301.1858 PRESSURE: 643000 0 0 0 0 0 0 0 0 0 GPRESSURE: 643000 0 0 0 0 0 0 0 0 0 PRESSAVG: 643000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 643000 0 0 0 0 0 0 0 0 0 TIMING: 643000 CPU: 2542.68, 0.00394632/step Wall: 2542.68, 0.00394632/step, 2.03564 hours remaining, 112.187500 MB of memory in use. ENERGY: 643000 618.5722 1797.4981 1981.8093 110.2696 -0.7765 -1052.4894 0.0000 0.0000 2728.1339 6183.0173 301.3300 3454.8834 6217.2194 297.4164 PRESSURE: 643200 0 0 0 0 0 0 0 0 0 GPRESSURE: 643200 0 0 0 0 0 0 0 0 0 PRESSAVG: 643200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 643200 0 0 0 0 0 0 0 0 0 TIMING: 643200 CPU: 2543.47, 0.00394234/step Wall: 2543.47, 0.00394234/step, 2.03337 hours remaining, 112.187500 MB of memory in use. ENERGY: 643200 640.1428 1763.4731 1971.1926 109.9615 -1.1440 -1047.1107 0.0000 0.0000 2703.3978 6139.9133 298.5978 3436.5155 6174.8020 296.5229 PRESSURE: 643400 0 0 0 0 0 0 0 0 0 GPRESSURE: 643400 0 0 0 0 0 0 0 0 0 PRESSAVG: 643400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 643400 0 0 0 0 0 0 0 0 0 TIMING: 643400 CPU: 2544.26, 0.00394658/step Wall: 2544.26, 0.00394658/step, 2.03534 hours remaining, 112.187500 MB of memory in use. ENERGY: 643400 640.1721 1842.8971 1960.8783 109.7515 -2.5133 -1079.9549 0.0000 0.0000 2696.5526 6167.7834 297.8417 3471.2308 6201.1121 295.5867 PRESSURE: 643600 0 0 0 0 0 0 0 0 0 GPRESSURE: 643600 0 0 0 0 0 0 0 0 0 PRESSAVG: 643600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 643600 0 0 0 0 0 0 0 0 0 TIMING: 643600 CPU: 2545.05, 0.00394766/step Wall: 2545.05, 0.00394766/step, 2.03568 hours remaining, 112.187500 MB of memory in use. ENERGY: 643600 646.0002 1845.6275 1953.3978 111.5315 -2.9414 -1107.9626 0.0000 0.0000 2696.8139 6142.4670 297.8706 3445.6531 6175.2293 294.2003 PRESSURE: 643800 0 0 0 0 0 0 0 0 0 GPRESSURE: 643800 0 0 0 0 0 0 0 0 0 PRESSAVG: 643800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 643800 0 0 0 0 0 0 0 0 0 TIMING: 643800 CPU: 2545.84, 0.00394619/step Wall: 2545.84, 0.00394619/step, 2.0347 hours remaining, 112.187500 MB of memory in use. ENERGY: 643800 650.3828 1812.2606 1989.1749 113.9998 -1.4360 -1069.4984 0.0000 0.0000 2664.5639 6159.4476 294.3085 3494.8837 6189.4851 294.6669 PRESSURE: 644000 0 0 0 0 0 0 0 0 0 GPRESSURE: 644000 0 0 0 0 0 0 0 0 0 PRESSAVG: 644000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 644000 0 0 0 0 0 0 0 0 0 TIMING: 644000 CPU: 2546.63, 0.00394373/step Wall: 2546.63, 0.00394372/step, 2.03321 hours remaining, 112.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 644000 640.2022 1817.2976 1991.9781 115.9373 -1.7973 -1040.6177 0.0000 0.0000 2692.7915 6215.7917 297.4263 3523.0001 6245.7902 296.2693 PRESSURE: 644200 0 0 0 0 0 0 0 0 0 GPRESSURE: 644200 0 0 0 0 0 0 0 0 0 PRESSAVG: 644200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 644200 0 0 0 0 0 0 0 0 0 TIMING: 644200 CPU: 2547.42, 0.00394615/step Wall: 2547.42, 0.00394616/step, 2.03424 hours remaining, 112.187500 MB of memory in use. ENERGY: 644200 626.9238 1835.7394 1971.3319 115.0323 -1.9368 -1062.7423 0.0000 0.0000 2694.7266 6179.0750 297.6401 3484.3484 6209.4818 298.4581 LDB: ============= START OF LOAD BALANCING ============== 2550.38 LDB: ============== END OF LOAD BALANCING =============== 2550.38 LDB: =============== DONE WITH MIGRATION ================ 2550.38 LDB: ============= START OF LOAD BALANCING ============== 2550.77 LDB: ============== END OF LOAD BALANCING =============== 2550.77 LDB: =============== DONE WITH MIGRATION ================ 2550.77 PRESSURE: 644400 0 0 0 0 0 0 0 0 0 GPRESSURE: 644400 0 0 0 0 0 0 0 0 0 PRESSAVG: 644400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 644400 0 0 0 0 0 0 0 0 0 TIMING: 644400 CPU: 2548.21, 0.00395113/step Wall: 2548.21, 0.00395113/step, 2.03659 hours remaining, 112.187500 MB of memory in use. ENERGY: 644400 666.7198 1773.2843 1997.9756 119.7641 -2.8601 -1092.0448 0.0000 0.0000 2694.4435 6157.2824 297.6088 3462.8389 6189.0954 296.0323 PRESSURE: 644600 0 0 0 0 0 0 0 0 0 GPRESSURE: 644600 0 0 0 0 0 0 0 0 0 PRESSAVG: 644600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 644600 0 0 0 0 0 0 0 0 0 TIMING: 644600 CPU: 2549, 0.00394671/step Wall: 2549, 0.00394671/step, 2.03409 hours remaining, 112.187500 MB of memory in use. ENERGY: 644600 657.7109 1772.5807 2002.3399 113.3538 -2.2684 -1091.7558 0.0000 0.0000 2671.5425 6123.5036 295.0793 3451.9611 6159.9732 292.9290 PRESSURE: 644800 0 0 0 0 0 0 0 0 0 GPRESSURE: 644800 0 0 0 0 0 0 0 0 0 PRESSAVG: 644800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 644800 0 0 0 0 0 0 0 0 0 TIMING: 644800 CPU: 2549.79, 0.0039475/step Wall: 2549.79, 0.0039475/step, 2.03428 hours remaining, 112.187500 MB of memory in use. ENERGY: 644800 666.9041 1790.0763 2005.2523 113.0215 -2.0278 -1086.5477 0.0000 0.0000 2663.2874 6149.9661 294.1675 3486.6787 6181.4387 294.2030 PRESSURE: 645000 0 0 0 0 0 0 0 0 0 GPRESSURE: 645000 0 0 0 0 0 0 0 0 0 PRESSAVG: 645000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 645000 0 0 0 0 0 0 0 0 0 TIMING: 645000 CPU: 2550.57, 0.00394233/step Wall: 2550.57, 0.00394233/step, 2.03139 hours remaining, 112.187500 MB of memory in use. ENERGY: 645000 609.4615 1798.6890 1988.2890 107.1605 -1.5350 -1042.0180 0.0000 0.0000 2710.1905 6170.2375 299.3481 3460.0470 6203.7474 296.2232 PRESSURE: 645200 0 0 0 0 0 0 0 0 0 GPRESSURE: 645200 0 0 0 0 0 0 0 0 0 PRESSAVG: 645200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 645200 0 0 0 0 0 0 0 0 0 TIMING: 645200 CPU: 2551.36, 0.00394742/step Wall: 2551.36, 0.00394742/step, 2.0338 hours remaining, 112.187500 MB of memory in use. ENERGY: 645200 633.5693 1825.3438 2015.2648 98.1017 -1.2676 -1097.1614 0.0000 0.0000 2741.8089 6215.6596 302.8404 3473.8508 6251.6061 298.6020 PRESSURE: 645400 0 0 0 0 0 0 0 0 0 GPRESSURE: 645400 0 0 0 0 0 0 0 0 0 PRESSAVG: 645400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 645400 0 0 0 0 0 0 0 0 0 TIMING: 645400 CPU: 2552.15, 0.00394684/step Wall: 2552.15, 0.00394684/step, 2.03328 hours remaining, 112.187500 MB of memory in use. ENERGY: 645400 668.0398 1840.0851 1982.9064 101.1313 -0.7221 -1085.4372 0.0000 0.0000 2724.8856 6230.8889 300.9712 3506.0033 6263.6686 301.3935 PRESSURE: 645600 0 0 0 0 0 0 0 0 0 GPRESSURE: 645600 0 0 0 0 0 0 0 0 0 PRESSAVG: 645600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 645600 0 0 0 0 0 0 0 0 0 TIMING: 645600 CPU: 2552.94, 0.0039453/step Wall: 2552.94, 0.00394529/step, 2.03226 hours remaining, 112.187500 MB of memory in use. ENERGY: 645600 662.6966 1851.9421 1995.6178 112.9497 -1.6267 -1099.1927 0.0000 0.0000 2755.4127 6277.7994 304.3430 3522.3867 6311.7394 301.3596 PRESSURE: 645800 0 0 0 0 0 0 0 0 0 GPRESSURE: 645800 0 0 0 0 0 0 0 0 0 PRESSAVG: 645800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 645800 0 0 0 0 0 0 0 0 0 TIMING: 645800 CPU: 2553.73, 0.00394608/step Wall: 2553.73, 0.00394608/step, 2.03245 hours remaining, 112.187500 MB of memory in use. ENERGY: 645800 701.4731 1847.9913 2017.1986 111.8428 -1.0521 -1095.6617 0.0000 0.0000 2757.0340 6338.8261 304.5221 3581.7920 6371.6748 303.5396 PRESSURE: 646000 0 0 0 0 0 0 0 0 0 GPRESSURE: 646000 0 0 0 0 0 0 0 0 0 PRESSAVG: 646000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 646000 0 0 0 0 0 0 0 0 0 TIMING: 646000 CPU: 2554.52, 0.00394268/step Wall: 2554.52, 0.00394268/step, 2.03048 hours remaining, 112.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 646000 682.0627 1867.2494 1990.9288 99.6281 -1.7023 -1079.4160 0.0000 0.0000 2724.7036 6283.4543 300.9511 3558.7507 6316.0293 302.1618 PRESSURE: 646200 0 0 0 0 0 0 0 0 0 GPRESSURE: 646200 0 0 0 0 0 0 0 0 0 PRESSAVG: 646200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 646200 0 0 0 0 0 0 0 0 0 TIMING: 646200 CPU: 2555.31, 0.00394562/step Wall: 2555.31, 0.00394562/step, 2.03178 hours remaining, 112.187500 MB of memory in use. ENERGY: 646200 670.4287 1841.0222 1976.7757 109.8544 -0.8191 -1025.1551 0.0000 0.0000 2692.9849 6265.0918 297.4477 3572.1069 6294.5965 301.7841 PRESSURE: 646400 0 0 0 0 0 0 0 0 0 GPRESSURE: 646400 0 0 0 0 0 0 0 0 0 PRESSAVG: 646400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 646400 0 0 0 0 0 0 0 0 0 TIMING: 646400 CPU: 2556.1, 0.00394607/step Wall: 2556.1, 0.00394607/step, 2.03179 hours remaining, 112.187500 MB of memory in use. ENERGY: 646400 645.9282 1817.9980 1970.5693 114.7100 -1.2109 -1064.5704 0.0000 0.0000 2716.5466 6199.9708 300.0501 3483.4242 6232.6353 298.6275 PRESSURE: 646600 0 0 0 0 0 0 0 0 0 GPRESSURE: 646600 0 0 0 0 0 0 0 0 0 PRESSAVG: 646600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 646600 0 0 0 0 0 0 0 0 0 TIMING: 646600 CPU: 2556.89, 0.00394558/step Wall: 2556.89, 0.00394558/step, 2.03132 hours remaining, 112.187500 MB of memory in use. ENERGY: 646600 647.8428 1865.1185 1994.2886 126.9473 -1.6838 -1082.1710 0.0000 0.0000 2695.1395 6245.4818 297.6857 3550.3423 6279.1159 299.8276 PRESSURE: 646800 0 0 0 0 0 0 0 0 0 GPRESSURE: 646800 0 0 0 0 0 0 0 0 0 PRESSAVG: 646800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 646800 0 0 0 0 0 0 0 0 0 TIMING: 646800 CPU: 2557.68, 0.00394629/step Wall: 2557.68, 0.00394629/step, 2.03146 hours remaining, 112.187500 MB of memory in use. ENERGY: 646800 649.3711 1846.0122 1997.6258 102.2335 -0.1067 -1049.0584 0.0000 0.0000 2694.8462 6240.9237 297.6533 3546.0775 6273.3189 299.9876 PRESSURE: 647000 0 0 0 0 0 0 0 0 0 GPRESSURE: 647000 0 0 0 0 0 0 0 0 0 PRESSAVG: 647000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 647000 0 0 0 0 0 0 0 0 0 TIMING: 647000 CPU: 2558.47, 0.00394407/step Wall: 2558.47, 0.00394407/step, 2.0301 hours remaining, 112.187500 MB of memory in use. ENERGY: 647000 645.2462 1808.3816 2024.6770 105.4386 -0.4898 -1069.0045 0.0000 0.0000 2756.2723 6270.5214 304.4380 3514.2491 6303.9182 301.0984 PRESSURE: 647200 0 0 0 0 0 0 0 0 0 GPRESSURE: 647200 0 0 0 0 0 0 0 0 0 PRESSAVG: 647200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 647200 0 0 0 0 0 0 0 0 0 TIMING: 647200 CPU: 2559.25, 0.00394656/step Wall: 2559.25, 0.00394656/step, 2.03116 hours remaining, 112.187500 MB of memory in use. ENERGY: 647200 654.8729 1814.7107 2001.1377 98.7133 -0.4467 -1065.2655 0.0000 0.0000 2778.8125 6282.5349 306.9276 3503.7224 6316.7559 302.1744 PRESSURE: 647400 0 0 0 0 0 0 0 0 0 GPRESSURE: 647400 0 0 0 0 0 0 0 0 0 PRESSAVG: 647400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 647400 0 0 0 0 0 0 0 0 0 TIMING: 647400 CPU: 2560.04, 0.00394584/step Wall: 2560.04, 0.00394583/step, 2.03057 hours remaining, 112.187500 MB of memory in use. ENERGY: 647400 626.3238 1864.5426 1996.4701 102.1925 -1.2336 -1067.5571 0.0000 0.0000 2745.7023 6266.4406 303.2705 3520.7383 6301.6576 301.9660 PRESSURE: 647600 0 0 0 0 0 0 0 0 0 GPRESSURE: 647600 0 0 0 0 0 0 0 0 0 PRESSAVG: 647600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 647600 0 0 0 0 0 0 0 0 0 TIMING: 647600 CPU: 2560.83, 0.00394482/step Wall: 2560.83, 0.00394482/step, 2.02983 hours remaining, 112.187500 MB of memory in use. ENERGY: 647600 654.7895 1860.8519 2005.4541 115.3993 -0.6187 -1074.1601 0.0000 0.0000 2770.8354 6332.5514 306.0465 3561.7160 6366.3943 302.1034 PRESSURE: 647800 0 0 0 0 0 0 0 0 0 GPRESSURE: 647800 0 0 0 0 0 0 0 0 0 PRESSAVG: 647800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 647800 0 0 0 0 0 0 0 0 0 TIMING: 647800 CPU: 2561.62, 0.00395938/step Wall: 2561.62, 0.00395938/step, 2.0371 hours remaining, 112.187500 MB of memory in use. ENERGY: 647800 655.1932 1813.8328 2015.7347 107.6803 -0.2152 -1029.4482 0.0000 0.0000 2763.2284 6326.0060 305.2063 3562.7776 6359.0872 302.6938 PRESSURE: 648000 0 0 0 0 0 0 0 0 0 GPRESSURE: 648000 0 0 0 0 0 0 0 0 0 PRESSAVG: 648000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 648000 0 0 0 0 0 0 0 0 0 TIMING: 648000 CPU: 2562.41, 0.00394868/step Wall: 2562.41, 0.00394868/step, 2.03138 hours remaining, 112.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 648000 617.6587 1882.5885 2016.6092 119.4774 -1.3296 -1078.3707 0.0000 0.0000 2739.7357 6296.3692 302.6114 3556.6334 6330.1601 302.5236 PRESSURE: 648200 0 0 0 0 0 0 0 0 0 GPRESSURE: 648200 0 0 0 0 0 0 0 0 0 PRESSAVG: 648200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 648200 0 0 0 0 0 0 0 0 0 TIMING: 648200 CPU: 2563.2, 0.00395105/step Wall: 2563.2, 0.00395105/step, 2.03238 hours remaining, 112.191406 MB of memory in use. ENERGY: 648200 626.6147 1894.2647 2007.5313 98.8961 -0.7025 -1051.1032 0.0000 0.0000 2723.3967 6298.8978 300.8068 3575.5011 6333.8303 302.9443 LDB: ============= START OF LOAD BALANCING ============== 2566.16 LDB: ============== END OF LOAD BALANCING =============== 2566.16 LDB: =============== DONE WITH MIGRATION ================ 2566.16 LDB: ============= START OF LOAD BALANCING ============== 2566.56 LDB: ============== END OF LOAD BALANCING =============== 2566.56 LDB: =============== DONE WITH MIGRATION ================ 2566.56 PRESSURE: 648400 0 0 0 0 0 0 0 0 0 GPRESSURE: 648400 0 0 0 0 0 0 0 0 0 PRESSAVG: 648400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 648400 0 0 0 0 0 0 0 0 0 TIMING: 648400 CPU: 2564, 0.00395751/step Wall: 2564, 0.00395751/step, 2.03548 hours remaining, 112.191406 MB of memory in use. ENERGY: 648400 607.4339 1880.9040 1993.6899 117.4989 -1.4753 -1047.2192 0.0000 0.0000 2759.5199 6310.3521 304.7967 3550.8322 6342.0629 303.2780 PRESSURE: 648600 0 0 0 0 0 0 0 0 0 GPRESSURE: 648600 0 0 0 0 0 0 0 0 0 PRESSAVG: 648600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 648600 0 0 0 0 0 0 0 0 0 TIMING: 648600 CPU: 2564.79, 0.00396136/step Wall: 2564.79, 0.00396136/step, 2.03724 hours remaining, 112.191406 MB of memory in use. ENERGY: 648600 669.0938 1798.6828 1986.3028 114.5554 -0.5210 -1043.8883 0.0000 0.0000 2721.5143 6245.7398 300.5988 3524.2255 6281.4645 301.5336 PRESSURE: 648800 0 0 0 0 0 0 0 0 0 GPRESSURE: 648800 0 0 0 0 0 0 0 0 0 PRESSAVG: 648800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 648800 0 0 0 0 0 0 0 0 0 TIMING: 648800 CPU: 2565.58, 0.003954/step Wall: 2565.58, 0.003954/step, 2.03323 hours remaining, 112.191406 MB of memory in use. ENERGY: 648800 641.2067 1861.2014 2005.0721 110.2948 0.1846 -1058.5109 0.0000 0.0000 2719.5255 6278.9743 300.3792 3559.4487 6311.0331 299.9122 PRESSURE: 649000 0 0 0 0 0 0 0 0 0 GPRESSURE: 649000 0 0 0 0 0 0 0 0 0 PRESSAVG: 649000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 649000 0 0 0 0 0 0 0 0 0 TIMING: 649000 CPU: 2566.37, 0.00395614/step Wall: 2566.37, 0.00395614/step, 2.03412 hours remaining, 112.191406 MB of memory in use. ENERGY: 649000 647.2562 1829.5249 1993.6857 111.0366 -1.6300 -1049.8847 0.0000 0.0000 2720.6698 6250.6585 300.5056 3529.9887 6283.6843 301.3368 PRESSURE: 649200 0 0 0 0 0 0 0 0 0 GPRESSURE: 649200 0 0 0 0 0 0 0 0 0 PRESSAVG: 649200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 649200 0 0 0 0 0 0 0 0 0 TIMING: 649200 CPU: 2567.16, 0.00395045/step Wall: 2567.16, 0.00395045/step, 2.03097 hours remaining, 112.191406 MB of memory in use. ENERGY: 649200 656.4400 1899.5393 1998.9252 107.2565 -0.7713 -1096.3384 0.0000 0.0000 2676.9198 6241.9712 295.6733 3565.0514 6273.2261 301.1261 PRESSURE: 649400 0 0 0 0 0 0 0 0 0 GPRESSURE: 649400 0 0 0 0 0 0 0 0 0 PRESSAVG: 649400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 649400 0 0 0 0 0 0 0 0 0 TIMING: 649400 CPU: 2567.95, 0.00394997/step Wall: 2567.95, 0.00394997/step, 2.0305 hours remaining, 112.191406 MB of memory in use. ENERGY: 649400 653.1409 1874.1110 2001.6245 108.4338 -2.1021 -1100.8107 0.0000 0.0000 2732.0484 6266.4458 301.7624 3534.3974 6298.8189 299.4386 PRESSURE: 649600 0 0 0 0 0 0 0 0 0 GPRESSURE: 649600 0 0 0 0 0 0 0 0 0 PRESSAVG: 649600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 649600 0 0 0 0 0 0 0 0 0 TIMING: 649600 CPU: 2568.74, 0.00394958/step Wall: 2568.74, 0.00394958/step, 2.03008 hours remaining, 112.191406 MB of memory in use. ENERGY: 649600 697.5706 1818.0140 2005.0636 97.8398 -1.9084 -1082.5498 0.0000 0.0000 2750.7121 6284.7418 303.8238 3534.0297 6316.8374 300.8202 PRESSURE: 649800 0 0 0 0 0 0 0 0 0 GPRESSURE: 649800 0 0 0 0 0 0 0 0 0 PRESSAVG: 649800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 649800 0 0 0 0 0 0 0 0 0 TIMING: 649800 CPU: 2569.53, 0.00394637/step Wall: 2569.53, 0.00394637/step, 2.02822 hours remaining, 112.191406 MB of memory in use. ENERGY: 649800 658.6972 1887.4199 1991.6771 120.6390 -1.9478 -1082.4901 0.0000 0.0000 2703.9540 6277.9494 298.6593 3573.9953 6313.3108 302.8924 PRESSURE: 650000 0 0 0 0 0 0 0 0 0 GPRESSURE: 650000 0 0 0 0 0 0 0 0 0 PRESSAVG: 650000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 650000 0 0 0 0 0 0 0 0 0 TIMING: 650000 CPU: 2570.32, 0.00394953/step Wall: 2570.32, 0.00394953/step, 2.02962 hours remaining, 112.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 650000 635.6809 1884.0394 1989.2617 110.3783 -1.8214 -1072.5794 0.0000 0.0000 2756.4218 6301.3812 304.4545 3544.9595 6338.9281 303.4928 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 650000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 650000 WRITING COORDINATES TO RESTART FILE AT STEP 650000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 650000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 650200 0 0 0 0 0 0 0 0 0 GPRESSURE: 650200 0 0 0 0 0 0 0 0 0 PRESSAVG: 650200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 650200 0 0 0 0 0 0 0 0 0 TIMING: 650200 CPU: 2571.16, 0.0042178/step Wall: 2571.16, 0.0042178/step, 2.16725 hours remaining, 112.195312 MB of memory in use. ENERGY: 650200 640.5998 1904.4925 1970.4556 116.4107 -1.5669 -1041.1660 0.0000 0.0000 2728.1274 6317.3532 301.3293 3589.2258 6350.5825 304.3885 PRESSURE: 650400 0 0 0 0 0 0 0 0 0 GPRESSURE: 650400 0 0 0 0 0 0 0 0 0 PRESSAVG: 650400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 650400 0 0 0 0 0 0 0 0 0 TIMING: 650400 CPU: 2571.95, 0.00394942/step Wall: 2571.95, 0.00394942/step, 2.02912 hours remaining, 112.195312 MB of memory in use. ENERGY: 650400 664.5791 1916.9573 1994.3245 120.0549 -1.1843 -1086.5187 0.0000 0.0000 2709.0411 6317.2539 299.2211 3608.2128 6350.8934 303.4004 PRESSURE: 650600 0 0 0 0 0 0 0 0 0 GPRESSURE: 650600 0 0 0 0 0 0 0 0 0 PRESSAVG: 650600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 650600 0 0 0 0 0 0 0 0 0 TIMING: 650600 CPU: 2572.74, 0.00394919/step Wall: 2572.74, 0.00394919/step, 2.02879 hours remaining, 112.195312 MB of memory in use. ENERGY: 650600 685.9405 1792.0373 1973.2411 112.0358 -0.2405 -1042.5609 0.0000 0.0000 2730.0240 6250.4774 301.5388 3520.4534 6282.6690 303.0212 PRESSURE: 650800 0 0 0 0 0 0 0 0 0 GPRESSURE: 650800 0 0 0 0 0 0 0 0 0 PRESSAVG: 650800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 650800 0 0 0 0 0 0 0 0 0 TIMING: 650800 CPU: 2573.53, 0.00394665/step Wall: 2573.53, 0.00394665/step, 2.02726 hours remaining, 112.195312 MB of memory in use. ENERGY: 650800 656.2677 1784.6464 1995.8247 94.2090 -1.6013 -1027.1413 0.0000 0.0000 2758.4604 6260.6655 304.6796 3502.2051 6294.8086 302.5209 PRESSURE: 651000 0 0 0 0 0 0 0 0 0 GPRESSURE: 651000 0 0 0 0 0 0 0 0 0 PRESSAVG: 651000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 651000 0 0 0 0 0 0 0 0 0 TIMING: 651000 CPU: 2574.32, 0.00395067/step Wall: 2574.32, 0.00395067/step, 2.02911 hours remaining, 112.195312 MB of memory in use. ENERGY: 651000 661.8566 1790.0178 1979.8244 117.3253 -0.1177 -1055.0193 0.0000 0.0000 2746.8142 6240.7014 303.3933 3493.8872 6272.6783 301.6047 PRESSURE: 651200 0 0 0 0 0 0 0 0 0 GPRESSURE: 651200 0 0 0 0 0 0 0 0 0 PRESSAVG: 651200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 651200 0 0 0 0 0 0 0 0 0 TIMING: 651200 CPU: 2575.11, 0.00394873/step Wall: 2575.11, 0.00394873/step, 2.02789 hours remaining, 112.195312 MB of memory in use. ENERGY: 651200 697.1997 1826.6618 1980.0634 105.7032 -0.7954 -1056.9069 0.0000 0.0000 2674.5235 6226.4493 295.4086 3551.9258 6258.0298 299.7648 PRESSURE: 651400 0 0 0 0 0 0 0 0 0 GPRESSURE: 651400 0 0 0 0 0 0 0 0 0 PRESSAVG: 651400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 651400 0 0 0 0 0 0 0 0 0 TIMING: 651400 CPU: 2575.9, 0.00394858/step Wall: 2575.9, 0.00394858/step, 2.0276 hours remaining, 112.195312 MB of memory in use. ENERGY: 651400 619.0685 1824.8647 1949.3489 116.3468 -1.5220 -1047.9338 0.0000 0.0000 2789.4519 6249.6249 308.1027 3460.1730 6283.0829 300.3656 PRESSURE: 651600 0 0 0 0 0 0 0 0 0 GPRESSURE: 651600 0 0 0 0 0 0 0 0 0 PRESSAVG: 651600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 651600 0 0 0 0 0 0 0 0 0 TIMING: 651600 CPU: 2576.69, 0.00394591/step Wall: 2576.69, 0.00394591/step, 2.026 hours remaining, 112.195312 MB of memory in use. ENERGY: 651600 640.5341 1882.3735 1977.3835 105.9185 -1.1419 -1016.7678 0.0000 0.0000 2648.6980 6236.9979 292.5561 3588.2999 6267.8595 300.0443 PRESSURE: 651800 0 0 0 0 0 0 0 0 0 GPRESSURE: 651800 0 0 0 0 0 0 0 0 0 PRESSAVG: 651800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 651800 0 0 0 0 0 0 0 0 0 TIMING: 651800 CPU: 2577.48, 0.00395027/step Wall: 2577.48, 0.00395027/step, 2.02803 hours remaining, 112.195312 MB of memory in use. ENERGY: 651800 634.0899 1813.1108 1984.7657 114.3674 -0.5337 -1057.7427 0.0000 0.0000 2656.4502 6144.5076 293.4123 3488.0574 6178.3047 297.1169 PRESSURE: 652000 0 0 0 0 0 0 0 0 0 GPRESSURE: 652000 0 0 0 0 0 0 0 0 0 PRESSAVG: 652000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 652000 0 0 0 0 0 0 0 0 0 TIMING: 652000 CPU: 2578.27, 0.00394937/step Wall: 2578.27, 0.00394937/step, 2.02734 hours remaining, 112.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 652000 674.1203 1816.2461 2007.9940 103.0277 -0.6797 -1075.9918 0.0000 0.0000 2673.2832 6197.9998 295.2716 3524.7166 6232.6806 296.9734 PRESSURE: 652200 0 0 0 0 0 0 0 0 0 GPRESSURE: 652200 0 0 0 0 0 0 0 0 0 PRESSAVG: 652200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 652200 0 0 0 0 0 0 0 0 0 TIMING: 652200 CPU: 2579.06, 0.00395765/step Wall: 2579.06, 0.00395765/step, 2.03137 hours remaining, 112.195312 MB of memory in use. ENERGY: 652200 670.9749 1819.6112 1976.4964 103.1261 -0.5982 -1049.5141 0.0000 0.0000 2691.6027 6211.6990 297.2950 3520.0963 6245.4651 297.8930 LDB: ============= START OF LOAD BALANCING ============== 2582.02 LDB: ============== END OF LOAD BALANCING =============== 2582.02 LDB: =============== DONE WITH MIGRATION ================ 2582.02 LDB: ============= START OF LOAD BALANCING ============== 2582.42 LDB: ============== END OF LOAD BALANCING =============== 2582.42 LDB: =============== DONE WITH MIGRATION ================ 2582.42 PRESSURE: 652400 0 0 0 0 0 0 0 0 0 GPRESSURE: 652400 0 0 0 0 0 0 0 0 0 PRESSAVG: 652400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 652400 0 0 0 0 0 0 0 0 0 TIMING: 652400 CPU: 2579.85, 0.00395279/step Wall: 2579.85, 0.00395279/step, 2.02866 hours remaining, 112.195312 MB of memory in use. ENERGY: 652400 685.0785 1809.2669 1957.0719 103.0597 -0.4391 -1090.0061 0.0000 0.0000 2736.1501 6200.1819 302.2154 3464.0318 6234.0150 298.2271 PRESSURE: 652600 0 0 0 0 0 0 0 0 0 GPRESSURE: 652600 0 0 0 0 0 0 0 0 0 PRESSAVG: 652600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 652600 0 0 0 0 0 0 0 0 0 TIMING: 652600 CPU: 2580.64, 0.00394634/step Wall: 2580.64, 0.00394634/step, 2.02513 hours remaining, 112.195312 MB of memory in use. ENERGY: 652600 664.5636 1853.3037 1987.1697 107.8665 -0.3027 -1092.1612 0.0000 0.0000 2660.8842 6181.3237 293.9021 3520.4396 6211.3682 298.3348 PRESSURE: 652800 0 0 0 0 0 0 0 0 0 GPRESSURE: 652800 0 0 0 0 0 0 0 0 0 PRESSAVG: 652800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 652800 0 0 0 0 0 0 0 0 0 TIMING: 652800 CPU: 2581.43, 0.00394874/step Wall: 2581.43, 0.00394874/step, 2.02614 hours remaining, 112.195312 MB of memory in use. ENERGY: 652800 650.1258 1850.8726 1994.0336 104.3545 -0.2264 -1071.5900 0.0000 0.0000 2693.4890 6221.0592 297.5034 3527.5702 6256.4430 295.9714 PRESSURE: 653000 0 0 0 0 0 0 0 0 0 GPRESSURE: 653000 0 0 0 0 0 0 0 0 0 PRESSAVG: 653000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 653000 0 0 0 0 0 0 0 0 0 TIMING: 653000 CPU: 2582.22, 0.00394804/step Wall: 2582.22, 0.00394804/step, 2.02556 hours remaining, 112.199219 MB of memory in use. ENERGY: 653000 673.8026 1782.7938 1974.9767 114.9440 -0.4791 -1056.3283 0.0000 0.0000 2741.0370 6230.7466 302.7552 3489.7097 6264.0773 298.7844 PRESSURE: 653200 0 0 0 0 0 0 0 0 0 GPRESSURE: 653200 0 0 0 0 0 0 0 0 0 PRESSAVG: 653200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 653200 0 0 0 0 0 0 0 0 0 TIMING: 653200 CPU: 2583.01, 0.00394755/step Wall: 2583.01, 0.00394755/step, 2.0251 hours remaining, 112.199219 MB of memory in use. ENERGY: 653200 675.1135 1824.6380 1989.4413 116.8326 -0.6134 -1079.2992 0.0000 0.0000 2751.0875 6277.2004 303.8653 3526.1129 6310.8829 299.3219 PRESSURE: 653400 0 0 0 0 0 0 0 0 0 GPRESSURE: 653400 0 0 0 0 0 0 0 0 0 PRESSAVG: 653400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 653400 0 0 0 0 0 0 0 0 0 TIMING: 653400 CPU: 2583.8, 0.00394811/step Wall: 2583.8, 0.00394811/step, 2.02516 hours remaining, 112.199219 MB of memory in use. ENERGY: 653400 671.1187 1828.3098 2021.1998 107.5455 -1.2909 -1072.5033 0.0000 0.0000 2727.3110 6281.6906 301.2391 3554.3796 6317.9723 304.3704 PRESSURE: 653600 0 0 0 0 0 0 0 0 0 GPRESSURE: 653600 0 0 0 0 0 0 0 0 0 PRESSAVG: 653600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 653600 0 0 0 0 0 0 0 0 0 TIMING: 653600 CPU: 2584.59, 0.00394507/step Wall: 2584.59, 0.00394507/step, 2.02338 hours remaining, 112.199219 MB of memory in use. ENERGY: 653600 626.9917 1917.9157 1962.0031 110.8849 -1.8320 -1069.7481 0.0000 0.0000 2736.4634 6282.6788 302.2500 3546.2154 6313.3044 302.8829 PRESSURE: 653800 0 0 0 0 0 0 0 0 0 GPRESSURE: 653800 0 0 0 0 0 0 0 0 0 PRESSAVG: 653800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 653800 0 0 0 0 0 0 0 0 0 TIMING: 653800 CPU: 2585.38, 0.00395168/step Wall: 2585.38, 0.00395168/step, 2.02655 hours remaining, 112.199219 MB of memory in use. ENERGY: 653800 618.7620 1840.7271 1993.4164 116.4008 0.0645 -1034.4996 0.0000 0.0000 2762.9290 6297.8002 305.1732 3534.8712 6329.3193 302.6347 PRESSURE: 654000 0 0 0 0 0 0 0 0 0 GPRESSURE: 654000 0 0 0 0 0 0 0 0 0 PRESSAVG: 654000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 654000 0 0 0 0 0 0 0 0 0 TIMING: 654000 CPU: 2586.17, 0.00395108/step Wall: 2586.17, 0.00395108/step, 2.02603 hours remaining, 112.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 654000 638.7899 1811.8781 1989.1628 104.1206 -1.3404 -1043.2932 0.0000 0.0000 2764.7397 6264.0575 305.3732 3499.3178 6300.9763 301.3504 PRESSURE: 654200 0 0 0 0 0 0 0 0 0 GPRESSURE: 654200 0 0 0 0 0 0 0 0 0 PRESSAVG: 654200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 654200 0 0 0 0 0 0 0 0 0 TIMING: 654200 CPU: 2586.96, 0.00394773/step Wall: 2586.96, 0.00394773/step, 2.02409 hours remaining, 112.199219 MB of memory in use. ENERGY: 654200 627.9373 1865.5529 1977.4260 109.5950 -2.3901 -1056.9584 0.0000 0.0000 2732.2523 6253.4149 301.7849 3521.1626 6286.8535 301.0278 PRESSURE: 654400 0 0 0 0 0 0 0 0 0 GPRESSURE: 654400 0 0 0 0 0 0 0 0 0 PRESSAVG: 654400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 654400 0 0 0 0 0 0 0 0 0 TIMING: 654400 CPU: 2587.75, 0.00395053/step Wall: 2587.75, 0.00395053/step, 2.0253 hours remaining, 112.199219 MB of memory in use. ENERGY: 654400 638.5450 1855.7068 1980.6429 107.1733 -1.3558 -1028.0513 0.0000 0.0000 2675.2626 6227.9235 295.4902 3552.6609 6259.6279 299.3945 PRESSURE: 654600 0 0 0 0 0 0 0 0 0 GPRESSURE: 654600 0 0 0 0 0 0 0 0 0 PRESSAVG: 654600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 654600 0 0 0 0 0 0 0 0 0 TIMING: 654600 CPU: 2588.54, 0.00394474/step Wall: 2588.54, 0.00394474/step, 2.02212 hours remaining, 112.199219 MB of memory in use. ENERGY: 654600 668.1414 1807.9823 1996.3021 115.3552 -1.9032 -1086.3139 0.0000 0.0000 2740.0902 6239.6541 302.6506 3499.5639 6271.7398 300.1051 PRESSURE: 654800 0 0 0 0 0 0 0 0 0 GPRESSURE: 654800 0 0 0 0 0 0 0 0 0 PRESSAVG: 654800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 654800 0 0 0 0 0 0 0 0 0 TIMING: 654800 CPU: 2589.33, 0.00395007/step Wall: 2589.33, 0.00395007/step, 2.02463 hours remaining, 112.199219 MB of memory in use. ENERGY: 654800 664.4947 1839.8432 1991.3222 117.6071 0.0088 -1062.9084 0.0000 0.0000 2689.1874 6239.5550 297.0282 3550.3675 6272.2404 300.0710 PRESSURE: 655000 0 0 0 0 0 0 0 0 0 GPRESSURE: 655000 0 0 0 0 0 0 0 0 0 PRESSAVG: 655000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 655000 0 0 0 0 0 0 0 0 0 TIMING: 655000 CPU: 2590.12, 0.00395062/step Wall: 2590.12, 0.00395062/step, 2.02469 hours remaining, 112.199219 MB of memory in use. ENERGY: 655000 620.5090 1832.0412 1985.8347 103.9197 0.6995 -1063.8673 0.0000 0.0000 2738.6824 6217.8192 302.4951 3479.1368 6252.6666 297.4315 PRESSURE: 655200 0 0 0 0 0 0 0 0 0 GPRESSURE: 655200 0 0 0 0 0 0 0 0 0 PRESSAVG: 655200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 655200 0 0 0 0 0 0 0 0 0 TIMING: 655200 CPU: 2590.91, 0.00394982/step Wall: 2590.91, 0.00394982/step, 2.02407 hours remaining, 112.199219 MB of memory in use. ENERGY: 655200 658.7335 1818.6252 1971.3442 105.3785 1.1961 -1053.8984 0.0000 0.0000 2734.8515 6236.2306 302.0720 3501.3791 6270.5625 299.1970 PRESSURE: 655400 0 0 0 0 0 0 0 0 0 GPRESSURE: 655400 0 0 0 0 0 0 0 0 0 PRESSAVG: 655400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 655400 0 0 0 0 0 0 0 0 0 TIMING: 655400 CPU: 2591.7, 0.00394485/step Wall: 2591.7, 0.00394485/step, 2.02129 hours remaining, 112.199219 MB of memory in use. ENERGY: 655400 681.3356 1819.7093 1979.4624 108.1034 -0.1385 -1053.8518 0.0000 0.0000 2706.2608 6240.8813 298.9140 3534.6205 6273.3679 298.9663 PRESSURE: 655600 0 0 0 0 0 0 0 0 0 GPRESSURE: 655600 0 0 0 0 0 0 0 0 0 PRESSAVG: 655600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 655600 0 0 0 0 0 0 0 0 0 TIMING: 655600 CPU: 2592.49, 0.00394871/step Wall: 2592.49, 0.00394871/step, 2.02305 hours remaining, 112.199219 MB of memory in use. ENERGY: 655600 677.5536 1794.1377 1974.1364 103.4970 -1.0766 -1039.8037 0.0000 0.0000 2730.6834 6239.1277 301.6116 3508.4443 6272.0286 299.6881 PRESSURE: 655800 0 0 0 0 0 0 0 0 0 GPRESSURE: 655800 0 0 0 0 0 0 0 0 0 PRESSAVG: 655800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 655800 0 0 0 0 0 0 0 0 0 TIMING: 655800 CPU: 2593.28, 0.00394915/step Wall: 2593.28, 0.00394915/step, 2.02306 hours remaining, 112.199219 MB of memory in use. ENERGY: 655800 630.9845 1837.2132 1999.3483 105.9025 -0.3338 -1037.5331 0.0000 0.0000 2662.8325 6198.4141 294.1173 3535.5817 6231.5164 296.4432 PRESSURE: 656000 0 0 0 0 0 0 0 0 0 GPRESSURE: 656000 0 0 0 0 0 0 0 0 0 PRESSAVG: 656000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 656000 0 0 0 0 0 0 0 0 0 TIMING: 656000 CPU: 2594.07, 0.00395084/step Wall: 2594.07, 0.00395084/step, 2.02371 hours remaining, 112.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 656000 620.4229 1860.1593 2005.8185 102.7743 1.1275 -1065.2971 0.0000 0.0000 2673.5494 6198.5547 295.3010 3525.0053 6228.1994 295.6845 PRESSURE: 656200 0 0 0 0 0 0 0 0 0 GPRESSURE: 656200 0 0 0 0 0 0 0 0 0 PRESSAVG: 656200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 656200 0 0 0 0 0 0 0 0 0 TIMING: 656200 CPU: 2594.86, 0.00394743/step Wall: 2594.86, 0.00394743/step, 2.02174 hours remaining, 112.203125 MB of memory in use. ENERGY: 656200 652.0706 1855.6014 1990.3368 107.2287 -0.1901 -1059.0096 0.0000 0.0000 2666.3536 6212.3912 294.5062 3546.0376 6244.6593 296.7681 LDB: ============= START OF LOAD BALANCING ============== 2597.82 LDB: ============== END OF LOAD BALANCING =============== 2597.82 LDB: =============== DONE WITH MIGRATION ================ 2597.82 LDB: ============= START OF LOAD BALANCING ============== 2598.21 LDB: ============== END OF LOAD BALANCING =============== 2598.21 LDB: =============== DONE WITH MIGRATION ================ 2598.21 PRESSURE: 656400 0 0 0 0 0 0 0 0 0 GPRESSURE: 656400 0 0 0 0 0 0 0 0 0 PRESSAVG: 656400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 656400 0 0 0 0 0 0 0 0 0 TIMING: 656400 CPU: 2595.65, 0.00394886/step Wall: 2595.65, 0.00394886/step, 2.02225 hours remaining, 112.203125 MB of memory in use. ENERGY: 656400 675.6882 1777.4814 1991.0288 111.4857 -0.6796 -1049.5278 0.0000 0.0000 2666.1706 6171.6472 294.4860 3505.4767 6205.8477 295.4922 PRESSURE: 656600 0 0 0 0 0 0 0 0 0 GPRESSURE: 656600 0 0 0 0 0 0 0 0 0 PRESSAVG: 656600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 656600 0 0 0 0 0 0 0 0 0 TIMING: 656600 CPU: 2596.44, 0.00394841/step Wall: 2596.44, 0.0039484/step, 2.0218 hours remaining, 112.203125 MB of memory in use. ENERGY: 656600 627.9954 1797.7328 1983.9332 110.1249 -0.2858 -1057.8268 0.0000 0.0000 2720.2208 6181.8944 300.4560 3461.6736 6214.7388 296.3641 PRESSURE: 656800 0 0 0 0 0 0 0 0 0 GPRESSURE: 656800 0 0 0 0 0 0 0 0 0 PRESSAVG: 656800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 656800 0 0 0 0 0 0 0 0 0 TIMING: 656800 CPU: 2597.23, 0.00394904/step Wall: 2597.23, 0.00394904/step, 2.02191 hours remaining, 112.203125 MB of memory in use. ENERGY: 656800 665.6151 1807.5561 1981.5192 116.6356 -0.1442 -1048.3145 0.0000 0.0000 2727.3827 6250.2500 301.2470 3522.8673 6285.1116 298.5995 PRESSURE: 657000 0 0 0 0 0 0 0 0 0 GPRESSURE: 657000 0 0 0 0 0 0 0 0 0 PRESSAVG: 657000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 657000 0 0 0 0 0 0 0 0 0 TIMING: 657000 CPU: 2598.02, 0.00394872/step Wall: 2598.02, 0.00394872/step, 2.02152 hours remaining, 112.203125 MB of memory in use. ENERGY: 657000 696.3905 1805.6490 1992.6687 123.3604 1.1694 -1031.2378 0.0000 0.0000 2694.6430 6282.6432 297.6308 3588.0003 6311.9354 300.9995 PRESSURE: 657200 0 0 0 0 0 0 0 0 0 GPRESSURE: 657200 0 0 0 0 0 0 0 0 0 PRESSAVG: 657200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 657200 0 0 0 0 0 0 0 0 0 TIMING: 657200 CPU: 2598.81, 0.00394963/step Wall: 2598.81, 0.00394963/step, 2.02177 hours remaining, 112.203125 MB of memory in use. ENERGY: 657200 647.7232 1824.6675 1985.5932 126.6896 -0.1894 -1049.6926 0.0000 0.0000 2701.5875 6236.3792 298.3979 3534.7917 6271.8694 301.3859 PRESSURE: 657400 0 0 0 0 0 0 0 0 0 GPRESSURE: 657400 0 0 0 0 0 0 0 0 0 PRESSAVG: 657400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 657400 0 0 0 0 0 0 0 0 0 TIMING: 657400 CPU: 2599.59, 0.00394373/step Wall: 2599.59, 0.00394373/step, 2.01853 hours remaining, 112.203125 MB of memory in use. ENERGY: 657400 666.6876 1819.6323 1997.7421 117.1553 0.0328 -1093.5626 0.0000 0.0000 2733.3097 6240.9972 301.9017 3507.6875 6272.5791 298.8980 PRESSURE: 657600 0 0 0 0 0 0 0 0 0 GPRESSURE: 657600 0 0 0 0 0 0 0 0 0 PRESSAVG: 657600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 657600 0 0 0 0 0 0 0 0 0 TIMING: 657600 CPU: 2600.38, 0.00394948/step Wall: 2600.38, 0.00394948/step, 2.02126 hours remaining, 112.203125 MB of memory in use. ENERGY: 657600 685.4963 1816.2948 2001.3506 118.4191 -0.4335 -1062.9873 0.0000 0.0000 2714.2735 6272.4134 299.7991 3558.1399 6305.8394 301.5141 PRESSURE: 657800 0 0 0 0 0 0 0 0 0 GPRESSURE: 657800 0 0 0 0 0 0 0 0 0 PRESSAVG: 657800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 657800 0 0 0 0 0 0 0 0 0 TIMING: 657800 CPU: 2601.18, 0.00395259/step Wall: 2601.18, 0.00395259/step, 2.02263 hours remaining, 112.203125 MB of memory in use. ENERGY: 657800 651.2836 1848.1773 1988.0530 109.5018 0.1469 -1092.7071 0.0000 0.0000 2753.6277 6258.0832 304.1459 3504.4555 6294.1320 301.5481 PRESSURE: 658000 0 0 0 0 0 0 0 0 0 GPRESSURE: 658000 0 0 0 0 0 0 0 0 0 PRESSAVG: 658000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 658000 0 0 0 0 0 0 0 0 0 TIMING: 658000 CPU: 2601.96, 0.00394798/step Wall: 2601.96, 0.00394798/step, 2.02005 hours remaining, 112.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 658000 668.1958 1794.6381 2005.5891 116.8743 -0.2335 -1033.0337 0.0000 0.0000 2687.3745 6239.4048 296.8280 3552.0302 6273.4328 301.5381 PRESSURE: 658200 0 0 0 0 0 0 0 0 0 GPRESSURE: 658200 0 0 0 0 0 0 0 0 0 PRESSAVG: 658200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 658200 0 0 0 0 0 0 0 0 0 TIMING: 658200 CPU: 2602.75, 0.00394415/step Wall: 2602.75, 0.00394415/step, 2.01787 hours remaining, 112.203125 MB of memory in use. ENERGY: 658200 656.2384 1801.8041 2016.4641 102.8339 0.2647 -1040.1757 0.0000 0.0000 2724.8711 6262.3006 300.9696 3537.4295 6293.0482 299.9974 PRESSURE: 658400 0 0 0 0 0 0 0 0 0 GPRESSURE: 658400 0 0 0 0 0 0 0 0 0 PRESSAVG: 658400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 658400 0 0 0 0 0 0 0 0 0 TIMING: 658400 CPU: 2603.54, 0.00395001/step Wall: 2603.54, 0.00395001/step, 2.02065 hours remaining, 112.203125 MB of memory in use. ENERGY: 658400 626.1014 1870.1025 2000.6143 115.6572 -1.2580 -1083.1252 0.0000 0.0000 2690.1515 6218.2438 297.1347 3528.0923 6249.6243 298.8698 PRESSURE: 658600 0 0 0 0 0 0 0 0 0 GPRESSURE: 658600 0 0 0 0 0 0 0 0 0 PRESSAVG: 658600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 658600 0 0 0 0 0 0 0 0 0 TIMING: 658600 CPU: 2604.33, 0.00394991/step Wall: 2604.33, 0.00394991/step, 2.02038 hours remaining, 112.203125 MB of memory in use. ENERGY: 658600 668.2610 1892.3304 2019.6993 115.5280 -0.0706 -1103.2694 0.0000 0.0000 2587.5420 6180.0206 285.8012 3592.4786 6207.5563 297.6384 PRESSURE: 658800 0 0 0 0 0 0 0 0 0 GPRESSURE: 658800 0 0 0 0 0 0 0 0 0 PRESSAVG: 658800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 658800 0 0 0 0 0 0 0 0 0 TIMING: 658800 CPU: 2605.12, 0.00395065/step Wall: 2605.12, 0.00395065/step, 2.02054 hours remaining, 112.203125 MB of memory in use. ENERGY: 658800 648.8373 1835.2804 2002.9774 110.6731 0.3406 -1092.1623 0.0000 0.0000 2683.5347 6189.4812 296.4039 3505.9465 6219.4250 297.3800 PRESSURE: 659000 0 0 0 0 0 0 0 0 0 GPRESSURE: 659000 0 0 0 0 0 0 0 0 0 PRESSAVG: 659000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 659000 0 0 0 0 0 0 0 0 0 TIMING: 659000 CPU: 2605.91, 0.00394952/step Wall: 2605.91, 0.00394952/step, 2.01974 hours remaining, 112.203125 MB of memory in use. ENERGY: 659000 663.0166 1875.4663 1993.9993 114.9742 -0.8848 -1081.3655 0.0000 0.0000 2679.3730 6244.5791 295.9442 3565.2061 6275.0319 295.9163 PRESSURE: 659200 0 0 0 0 0 0 0 0 0 GPRESSURE: 659200 0 0 0 0 0 0 0 0 0 PRESSAVG: 659200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 659200 0 0 0 0 0 0 0 0 0 TIMING: 659200 CPU: 2606.7, 0.00394419/step Wall: 2606.7, 0.00394419/step, 2.0168 hours remaining, 112.203125 MB of memory in use. ENERGY: 659200 621.4159 1848.4821 1968.3115 102.8780 0.4585 -1085.6489 0.0000 0.0000 2657.3997 6113.2968 293.5172 3455.8971 6149.7765 295.4015 PRESSURE: 659400 0 0 0 0 0 0 0 0 0 GPRESSURE: 659400 0 0 0 0 0 0 0 0 0 PRESSAVG: 659400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 659400 0 0 0 0 0 0 0 0 0 TIMING: 659400 CPU: 2607.49, 0.00394965/step Wall: 2607.49, 0.00394965/step, 2.01937 hours remaining, 112.203125 MB of memory in use. ENERGY: 659400 672.3234 1812.7775 2008.9623 99.2710 -0.2252 -1113.8402 0.0000 0.0000 2650.2998 6129.5686 292.7330 3479.2689 6160.0443 293.5224 PRESSURE: 659600 0 0 0 0 0 0 0 0 0 GPRESSURE: 659600 0 0 0 0 0 0 0 0 0 PRESSAVG: 659600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 659600 0 0 0 0 0 0 0 0 0 TIMING: 659600 CPU: 2608.28, 0.00395067/step Wall: 2608.28, 0.00395067/step, 2.01967 hours remaining, 112.203125 MB of memory in use. ENERGY: 659600 646.3350 1780.9529 1969.6067 111.6326 -0.5030 -1043.2377 0.0000 0.0000 2754.5994 6219.3859 304.2532 3464.7865 6253.7927 297.0296 PRESSURE: 659800 0 0 0 0 0 0 0 0 0 GPRESSURE: 659800 0 0 0 0 0 0 0 0 0 PRESSAVG: 659800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 659800 0 0 0 0 0 0 0 0 0 TIMING: 659800 CPU: 2609.07, 0.00395141/step Wall: 2609.07, 0.00395141/step, 2.01983 hours remaining, 112.203125 MB of memory in use. ENERGY: 659800 647.1022 1793.3588 2003.8446 105.6050 0.0850 -1033.7061 0.0000 0.0000 2670.0380 6186.3276 294.9131 3516.2895 6217.6379 298.4357 PRESSURE: 660000 0 0 0 0 0 0 0 0 0 GPRESSURE: 660000 0 0 0 0 0 0 0 0 0 PRESSAVG: 660000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 660000 0 0 0 0 0 0 0 0 0 TIMING: 660000 CPU: 2609.86, 0.00395174/step Wall: 2609.86, 0.00395174/step, 2.01978 hours remaining, 112.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 660000 649.8598 1756.9218 2003.5839 114.6875 0.5584 -1036.1834 0.0000 0.0000 2678.0904 6167.5184 295.8025 3489.4281 6200.6949 295.3553 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 660000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 660000 WRITING COORDINATES TO RESTART FILE AT STEP 660000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 660000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 660200 0 0 0 0 0 0 0 0 0 GPRESSURE: 660200 0 0 0 0 0 0 0 0 0 PRESSAVG: 660200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 660200 0 0 0 0 0 0 0 0 0 TIMING: 660200 CPU: 2610.69, 0.00413262/step Wall: 2610.69, 0.00413262/step, 2.112 hours remaining, 112.203125 MB of memory in use. ENERGY: 660200 634.9956 1804.7118 1993.3764 113.6042 -0.4345 -1041.4236 0.0000 0.0000 2663.1794 6168.0093 294.1556 3504.8299 6197.1204 295.8219 LDB: ============= START OF LOAD BALANCING ============== 2613.65 LDB: ============== END OF LOAD BALANCING =============== 2613.65 LDB: =============== DONE WITH MIGRATION ================ 2613.65 LDB: ============= START OF LOAD BALANCING ============== 2614.05 LDB: ============== END OF LOAD BALANCING =============== 2614.05 LDB: =============== DONE WITH MIGRATION ================ 2614.05 PRESSURE: 660400 0 0 0 0 0 0 0 0 0 GPRESSURE: 660400 0 0 0 0 0 0 0 0 0 PRESSAVG: 660400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 660400 0 0 0 0 0 0 0 0 0 TIMING: 660400 CPU: 2611.48, 0.00395849/step Wall: 2611.48, 0.00395849/step, 2.02279 hours remaining, 112.203125 MB of memory in use. ENERGY: 660400 598.8670 1817.3148 2009.7149 101.0648 1.0049 -1057.8664 0.0000 0.0000 2692.7855 6162.8855 297.4257 3470.1000 6194.1083 295.8384 PRESSURE: 660600 0 0 0 0 0 0 0 0 0 GPRESSURE: 660600 0 0 0 0 0 0 0 0 0 PRESSAVG: 660600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 660600 0 0 0 0 0 0 0 0 0 TIMING: 660600 CPU: 2612.27, 0.00395091/step Wall: 2612.27, 0.00395091/step, 2.0187 hours remaining, 112.203125 MB of memory in use. ENERGY: 660600 643.4433 1844.5012 2000.4103 99.2786 0.3943 -1094.0304 0.0000 0.0000 2656.8136 6150.8108 293.4525 3493.9973 6179.7112 295.9865 PRESSURE: 660800 0 0 0 0 0 0 0 0 0 GPRESSURE: 660800 0 0 0 0 0 0 0 0 0 PRESSAVG: 660800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 660800 0 0 0 0 0 0 0 0 0 TIMING: 660800 CPU: 2613.06, 0.00395286/step Wall: 2613.06, 0.00395286/step, 2.01947 hours remaining, 112.203125 MB of memory in use. ENERGY: 660800 656.1411 1856.2362 1984.0855 102.4344 -0.6101 -1091.3440 0.0000 0.0000 2694.1543 6201.0974 297.5768 3506.9431 6232.5596 296.2337 PRESSURE: 661000 0 0 0 0 0 0 0 0 0 GPRESSURE: 661000 0 0 0 0 0 0 0 0 0 PRESSAVG: 661000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 661000 0 0 0 0 0 0 0 0 0 TIMING: 661000 CPU: 2613.85, 0.00395108/step Wall: 2613.85, 0.00395108/step, 2.01834 hours remaining, 112.207031 MB of memory in use. ENERGY: 661000 650.2892 1841.8847 1983.0892 104.5039 0.4617 -1037.5045 0.0000 0.0000 2672.5830 6215.3072 295.1942 3542.7242 6248.4897 297.3469 PRESSURE: 661200 0 0 0 0 0 0 0 0 0 GPRESSURE: 661200 0 0 0 0 0 0 0 0 0 PRESSAVG: 661200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 661200 0 0 0 0 0 0 0 0 0 TIMING: 661200 CPU: 2614.64, 0.00394565/step Wall: 2614.64, 0.00394565/step, 2.01535 hours remaining, 112.207031 MB of memory in use. ENERGY: 661200 632.6571 1818.0168 1987.2230 103.6354 -0.5879 -1046.6806 0.0000 0.0000 2694.5476 6188.8115 297.6203 3494.2639 6224.5776 297.0197 PRESSURE: 661400 0 0 0 0 0 0 0 0 0 GPRESSURE: 661400 0 0 0 0 0 0 0 0 0 PRESSAVG: 661400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 661400 0 0 0 0 0 0 0 0 0 TIMING: 661400 CPU: 2615.43, 0.00395134/step Wall: 2615.43, 0.00395134/step, 2.01804 hours remaining, 112.207031 MB of memory in use. ENERGY: 661400 633.9200 1864.9633 1989.0561 106.2742 0.3385 -1057.6990 0.0000 0.0000 2651.1224 6187.9755 292.8239 3536.8531 6222.0843 296.8573 PRESSURE: 661600 0 0 0 0 0 0 0 0 0 GPRESSURE: 661600 0 0 0 0 0 0 0 0 0 PRESSAVG: 661600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 661600 0 0 0 0 0 0 0 0 0 TIMING: 661600 CPU: 2616.22, 0.00395095/step Wall: 2616.22, 0.00395095/step, 2.01762 hours remaining, 112.207031 MB of memory in use. ENERGY: 661600 655.8374 1849.3622 1987.3615 121.1950 -0.5653 -1084.5577 0.0000 0.0000 2699.8103 6228.4434 298.2016 3528.6331 6262.5772 298.1967 PRESSURE: 661800 0 0 0 0 0 0 0 0 0 GPRESSURE: 661800 0 0 0 0 0 0 0 0 0 PRESSAVG: 661800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 661800 0 0 0 0 0 0 0 0 0 TIMING: 661800 CPU: 2617.01, 0.00395084/step Wall: 2617.01, 0.00395084/step, 2.01734 hours remaining, 112.207031 MB of memory in use. ENERGY: 661800 641.6976 1851.4742 1957.3152 110.8148 1.1706 -1076.7490 0.0000 0.0000 2662.5912 6148.3146 294.0906 3485.7234 6178.7934 296.9192 PRESSURE: 662000 0 0 0 0 0 0 0 0 0 GPRESSURE: 662000 0 0 0 0 0 0 0 0 0 PRESSAVG: 662000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 662000 0 0 0 0 0 0 0 0 0 TIMING: 662000 CPU: 2617.8, 0.00395044/step Wall: 2617.8, 0.00395044/step, 2.01692 hours remaining, 112.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 662000 618.6090 1769.2355 1969.6662 105.8810 -1.2729 -1056.9539 0.0000 0.0000 2697.6830 6102.8478 297.9666 3405.1649 6137.5755 294.2981 PRESSURE: 662200 0 0 0 0 0 0 0 0 0 GPRESSURE: 662200 0 0 0 0 0 0 0 0 0 PRESSAVG: 662200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 662200 0 0 0 0 0 0 0 0 0 TIMING: 662200 CPU: 2618.59, 0.00394594/step Wall: 2618.59, 0.00394594/step, 2.0144 hours remaining, 112.207031 MB of memory in use. ENERGY: 662200 665.5904 1813.4008 1964.8546 100.0060 0.5995 -1056.5605 0.0000 0.0000 2620.6958 6108.5865 289.4631 3487.8907 6137.9513 291.1772 PRESSURE: 662400 0 0 0 0 0 0 0 0 0 GPRESSURE: 662400 0 0 0 0 0 0 0 0 0 PRESSAVG: 662400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 662400 0 0 0 0 0 0 0 0 0 TIMING: 662400 CPU: 2619.38, 0.00395759/step Wall: 2619.38, 0.00395759/step, 2.02013 hours remaining, 112.207031 MB of memory in use. ENERGY: 662400 620.3208 1814.9664 2005.5462 114.9546 -0.6384 -1080.0491 0.0000 0.0000 2641.6931 6116.7934 291.7824 3475.1004 6150.4925 293.1896 PRESSURE: 662600 0 0 0 0 0 0 0 0 0 GPRESSURE: 662600 0 0 0 0 0 0 0 0 0 PRESSAVG: 662600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 662600 0 0 0 0 0 0 0 0 0 TIMING: 662600 CPU: 2620.17, 0.00394925/step Wall: 2620.17, 0.00394925/step, 2.01565 hours remaining, 112.207031 MB of memory in use. ENERGY: 662600 668.6278 1796.2826 1973.0430 103.9846 0.0443 -1044.7327 0.0000 0.0000 2662.3317 6159.5813 294.0620 3497.2495 6192.4196 293.1868 PRESSURE: 662800 0 0 0 0 0 0 0 0 0 GPRESSURE: 662800 0 0 0 0 0 0 0 0 0 PRESSAVG: 662800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 662800 0 0 0 0 0 0 0 0 0 TIMING: 662800 CPU: 2620.96, 0.00394871/step Wall: 2620.96, 0.00394871/step, 2.01516 hours remaining, 112.207031 MB of memory in use. ENERGY: 662800 633.7593 1842.4256 1978.1819 93.4392 -0.9925 -1063.8638 0.0000 0.0000 2724.0049 6206.9546 300.8739 3482.9497 6240.8923 296.1672 PRESSURE: 663000 0 0 0 0 0 0 0 0 0 GPRESSURE: 663000 0 0 0 0 0 0 0 0 0 PRESSAVG: 663000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 663000 0 0 0 0 0 0 0 0 0 TIMING: 663000 CPU: 2621.75, 0.00396189/step Wall: 2621.75, 0.00396189/step, 2.02166 hours remaining, 112.207031 MB of memory in use. ENERGY: 663000 637.2360 1813.2177 1991.7741 107.9502 0.3482 -1054.8083 0.0000 0.0000 2706.2662 6201.9842 298.9146 3495.7179 6235.3016 297.9032 PRESSURE: 663200 0 0 0 0 0 0 0 0 0 GPRESSURE: 663200 0 0 0 0 0 0 0 0 0 PRESSAVG: 663200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 663200 0 0 0 0 0 0 0 0 0 TIMING: 663200 CPU: 2622.55, 0.00395221/step Wall: 2622.55, 0.00395221/step, 2.01651 hours remaining, 112.207031 MB of memory in use. ENERGY: 663200 650.9086 1876.2195 1992.5176 118.2490 -0.2694 -1064.8412 0.0000 0.0000 2659.3201 6232.1042 293.7293 3572.7841 6264.0033 297.8362 PRESSURE: 663400 0 0 0 0 0 0 0 0 0 GPRESSURE: 663400 0 0 0 0 0 0 0 0 0 PRESSAVG: 663400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 663400 0 0 0 0 0 0 0 0 0 TIMING: 663400 CPU: 2623.34, 0.00395138/step Wall: 2623.34, 0.00395138/step, 2.01586 hours remaining, 112.207031 MB of memory in use. ENERGY: 663400 618.4789 1822.1333 1958.5683 114.8017 -0.3580 -1075.8192 0.0000 0.0000 2732.9560 6170.7610 301.8626 3437.8050 6205.4973 297.5042 PRESSURE: 663600 0 0 0 0 0 0 0 0 0 GPRESSURE: 663600 0 0 0 0 0 0 0 0 0 PRESSAVG: 663600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 663600 0 0 0 0 0 0 0 0 0 TIMING: 663600 CPU: 2624.13, 0.0039491/step Wall: 2624.13, 0.0039491/step, 2.01448 hours remaining, 112.207031 MB of memory in use. ENERGY: 663600 661.6113 1826.9380 1996.3026 104.8488 -0.2490 -1092.9286 0.0000 0.0000 2711.1916 6207.7148 299.4587 3496.5232 6242.1530 296.5924 PRESSURE: 663800 0 0 0 0 0 0 0 0 0 GPRESSURE: 663800 0 0 0 0 0 0 0 0 0 PRESSAVG: 663800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 663800 0 0 0 0 0 0 0 0 0 TIMING: 663800 CPU: 2624.91, 0.00394758/step Wall: 2624.91, 0.00394758/step, 2.01349 hours remaining, 112.207031 MB of memory in use. ENERGY: 663800 634.9161 1864.8123 1957.0959 102.8756 -0.6432 -1047.0441 0.0000 0.0000 2657.3712 6169.3840 293.5141 3512.0127 6200.8544 297.1014 PRESSURE: 664000 0 0 0 0 0 0 0 0 0 GPRESSURE: 664000 0 0 0 0 0 0 0 0 0 PRESSAVG: 664000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 664000 0 0 0 0 0 0 0 0 0 TIMING: 664000 CPU: 2625.7, 0.00394617/step Wall: 2625.7, 0.00394617/step, 2.01254 hours remaining, 112.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 664000 680.7723 1853.6582 1979.2532 122.7121 -0.7807 -1090.6376 0.0000 0.0000 2665.3832 6210.3607 294.3990 3544.9775 6242.7154 296.6879 PRESSURE: 664200 0 0 0 0 0 0 0 0 0 GPRESSURE: 664200 0 0 0 0 0 0 0 0 0 PRESSAVG: 664200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 664200 0 0 0 0 0 0 0 0 0 TIMING: 664200 CPU: 2626.49, 0.00394878/step Wall: 2626.49, 0.00394878/step, 2.01366 hours remaining, 112.207031 MB of memory in use. ENERGY: 664200 662.6532 1851.6450 1974.3669 106.8781 -1.0807 -1077.7332 0.0000 0.0000 2705.2806 6222.0099 298.8058 3516.7292 6254.2878 298.4758 LDB: ============= START OF LOAD BALANCING ============== 2629.45 LDB: ============== END OF LOAD BALANCING =============== 2629.45 LDB: =============== DONE WITH MIGRATION ================ 2629.45 LDB: ============= START OF LOAD BALANCING ============== 2629.85 LDB: ============== END OF LOAD BALANCING =============== 2629.85 LDB: =============== DONE WITH MIGRATION ================ 2629.85 PRESSURE: 664400 0 0 0 0 0 0 0 0 0 GPRESSURE: 664400 0 0 0 0 0 0 0 0 0 PRESSAVG: 664400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 664400 0 0 0 0 0 0 0 0 0 TIMING: 664400 CPU: 2627.28, 0.00395447/step Wall: 2627.28, 0.00395447/step, 2.01634 hours remaining, 112.207031 MB of memory in use. ENERGY: 664400 658.3738 1810.8361 1981.8804 96.1910 -2.0220 -1085.1142 0.0000 0.0000 2744.9497 6205.0948 303.1873 3460.1451 6236.8565 299.1553 PRESSURE: 664600 0 0 0 0 0 0 0 0 0 GPRESSURE: 664600 0 0 0 0 0 0 0 0 0 PRESSAVG: 664600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 664600 0 0 0 0 0 0 0 0 0 TIMING: 664600 CPU: 2628.07, 0.00394735/step Wall: 2628.07, 0.00394735/step, 2.01249 hours remaining, 112.207031 MB of memory in use. ENERGY: 664600 666.9408 1840.0876 1974.5833 114.6266 0.4543 -1068.3291 0.0000 0.0000 2725.9496 6254.3131 301.0887 3528.3634 6287.9398 301.7940 PRESSURE: 664800 0 0 0 0 0 0 0 0 0 GPRESSURE: 664800 0 0 0 0 0 0 0 0 0 PRESSAVG: 664800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 664800 0 0 0 0 0 0 0 0 0 TIMING: 664800 CPU: 2628.86, 0.00394808/step Wall: 2628.86, 0.00394808/step, 2.01264 hours remaining, 112.207031 MB of memory in use. ENERGY: 664800 635.0956 1850.0823 1970.7769 118.6092 -0.3209 -1047.3436 0.0000 0.0000 2659.4431 6186.3427 293.7429 3526.8996 6219.0659 298.7319 PRESSURE: 665000 0 0 0 0 0 0 0 0 0 GPRESSURE: 665000 0 0 0 0 0 0 0 0 0 PRESSAVG: 665000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 665000 0 0 0 0 0 0 0 0 0 TIMING: 665000 CPU: 2629.65, 0.00394718/step Wall: 2629.65, 0.00394718/step, 2.01197 hours remaining, 112.207031 MB of memory in use. ENERGY: 665000 653.1104 1836.0413 1966.1434 110.9130 -0.1479 -1071.5457 0.0000 0.0000 2667.6477 6162.1623 294.6491 3494.5145 6195.4269 297.0190 PRESSURE: 665200 0 0 0 0 0 0 0 0 0 GPRESSURE: 665200 0 0 0 0 0 0 0 0 0 PRESSAVG: 665200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 665200 0 0 0 0 0 0 0 0 0 TIMING: 665200 CPU: 2630.44, 0.00395046/step Wall: 2630.44, 0.00395046/step, 2.01342 hours remaining, 112.207031 MB of memory in use. ENERGY: 665200 636.7111 1792.6493 1987.7620 104.7227 -1.4256 -1086.3917 0.0000 0.0000 2732.3984 6166.4262 301.8010 3434.0278 6201.6799 296.2698 PRESSURE: 665400 0 0 0 0 0 0 0 0 0 GPRESSURE: 665400 0 0 0 0 0 0 0 0 0 PRESSAVG: 665400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 665400 0 0 0 0 0 0 0 0 0 TIMING: 665400 CPU: 2631.23, 0.00395126/step Wall: 2631.23, 0.00395126/step, 2.01361 hours remaining, 112.207031 MB of memory in use. ENERGY: 665400 686.5022 1838.7316 1980.5144 102.5677 0.1092 -1092.4136 0.0000 0.0000 2632.2932 6148.3047 290.7441 3516.0114 6181.2361 294.6797 PRESSURE: 665600 0 0 0 0 0 0 0 0 0 GPRESSURE: 665600 0 0 0 0 0 0 0 0 0 PRESSAVG: 665600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 665600 0 0 0 0 0 0 0 0 0 TIMING: 665600 CPU: 2632.02, 0.00394932/step Wall: 2632.02, 0.00394932/step, 2.0124 hours remaining, 112.207031 MB of memory in use. ENERGY: 665600 669.1975 1844.6520 1986.8849 99.6409 -0.1868 -1108.2946 0.0000 0.0000 2626.0067 6117.9005 290.0498 3491.8939 6150.7590 294.6138 PRESSURE: 665800 0 0 0 0 0 0 0 0 0 GPRESSURE: 665800 0 0 0 0 0 0 0 0 0 PRESSAVG: 665800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 665800 0 0 0 0 0 0 0 0 0 TIMING: 665800 CPU: 2632.81, 0.00394454/step Wall: 2632.81, 0.00394454/step, 2.00975 hours remaining, 112.207031 MB of memory in use. ENERGY: 665800 648.9738 1763.3971 1978.7874 98.3611 0.0088 -1075.2344 0.0000 0.0000 2730.8274 6145.1211 301.6275 3414.2938 6181.0504 292.8735 PRESSURE: 666000 0 0 0 0 0 0 0 0 0 GPRESSURE: 666000 0 0 0 0 0 0 0 0 0 PRESSAVG: 666000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 666000 0 0 0 0 0 0 0 0 0 TIMING: 666000 CPU: 2633.6, 0.00394874/step Wall: 2633.6, 0.00394874/step, 2.01166 hours remaining, 112.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 666000 631.9002 1795.3060 1981.3537 110.3274 0.0838 -1027.2370 0.0000 0.0000 2670.8226 6162.5566 294.9998 3491.7341 6194.2236 294.9960 PRESSURE: 666200 0 0 0 0 0 0 0 0 0 GPRESSURE: 666200 0 0 0 0 0 0 0 0 0 PRESSAVG: 666200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 666200 0 0 0 0 0 0 0 0 0 TIMING: 666200 CPU: 2634.39, 0.00394853/step Wall: 2634.39, 0.00394853/step, 2.01134 hours remaining, 112.207031 MB of memory in use. ENERGY: 666200 644.1942 1786.0212 1995.2802 112.8363 0.8560 -1025.7139 0.0000 0.0000 2666.9280 6180.4020 294.5696 3513.4740 6212.8693 295.3507 PRESSURE: 666400 0 0 0 0 0 0 0 0 0 GPRESSURE: 666400 0 0 0 0 0 0 0 0 0 PRESSAVG: 666400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 666400 0 0 0 0 0 0 0 0 0 TIMING: 666400 CPU: 2635.18, 0.00394911/step Wall: 2635.18, 0.00394911/step, 2.01141 hours remaining, 112.210938 MB of memory in use. ENERGY: 666400 631.2024 1870.3093 1991.3016 104.7380 -0.5995 -1058.3058 0.0000 0.0000 2610.5048 6149.1508 288.3375 3538.6460 6181.4638 295.8594 PRESSURE: 666600 0 0 0 0 0 0 0 0 0 GPRESSURE: 666600 0 0 0 0 0 0 0 0 0 PRESSAVG: 666600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 666600 0 0 0 0 0 0 0 0 0 TIMING: 666600 CPU: 2635.97, 0.00394838/step Wall: 2635.97, 0.00394838/step, 2.01082 hours remaining, 112.210938 MB of memory in use. ENERGY: 666600 653.2716 1802.4345 2001.9968 127.5977 -0.1480 -1069.1032 0.0000 0.0000 2641.5109 6157.5602 291.7622 3516.0493 6190.3919 295.2171 PRESSURE: 666800 0 0 0 0 0 0 0 0 0 GPRESSURE: 666800 0 0 0 0 0 0 0 0 0 PRESSAVG: 666800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 666800 0 0 0 0 0 0 0 0 0 TIMING: 666800 CPU: 2636.76, 0.00394565/step Wall: 2636.76, 0.00394565/step, 2.00921 hours remaining, 112.210938 MB of memory in use. ENERGY: 666800 673.2844 1813.5865 2005.0323 105.6090 -2.0814 -1100.0139 0.0000 0.0000 2667.4471 6162.8640 294.6270 3495.4169 6195.2292 294.2333 PRESSURE: 667000 0 0 0 0 0 0 0 0 0 GPRESSURE: 667000 0 0 0 0 0 0 0 0 0 PRESSAVG: 667000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 667000 0 0 0 0 0 0 0 0 0 TIMING: 667000 CPU: 2637.55, 0.00394962/step Wall: 2637.55, 0.00394962/step, 2.01101 hours remaining, 112.210938 MB of memory in use. ENERGY: 667000 628.5351 1854.2351 1962.7542 117.6824 -1.3114 -1075.1003 0.0000 0.0000 2604.8604 6091.6556 287.7141 3486.7953 6125.4985 293.0231 PRESSURE: 667200 0 0 0 0 0 0 0 0 0 GPRESSURE: 667200 0 0 0 0 0 0 0 0 0 PRESSAVG: 667200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 667200 0 0 0 0 0 0 0 0 0 TIMING: 667200 CPU: 2638.34, 0.00394798/step Wall: 2638.34, 0.00394798/step, 2.00996 hours remaining, 112.210938 MB of memory in use. ENERGY: 667200 633.5719 1770.0863 2003.4235 115.0295 0.3340 -1033.4685 0.0000 0.0000 2650.0892 6139.0660 292.7097 3488.9768 6170.1251 293.1075 PRESSURE: 667400 0 0 0 0 0 0 0 0 0 GPRESSURE: 667400 0 0 0 0 0 0 0 0 0 PRESSAVG: 667400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 667400 0 0 0 0 0 0 0 0 0 TIMING: 667400 CPU: 2639.13, 0.00395083/step Wall: 2639.13, 0.00395083/step, 2.01119 hours remaining, 112.210938 MB of memory in use. ENERGY: 667400 651.6768 1843.3921 1991.5393 102.3918 -0.3120 -1080.7999 0.0000 0.0000 2641.2844 6149.1725 291.7372 3507.8880 6181.4507 292.9330 PRESSURE: 667600 0 0 0 0 0 0 0 0 0 GPRESSURE: 667600 0 0 0 0 0 0 0 0 0 PRESSAVG: 667600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 667600 0 0 0 0 0 0 0 0 0 TIMING: 667600 CPU: 2639.92, 0.0039481/step Wall: 2639.92, 0.0039481/step, 2.00958 hours remaining, 112.210938 MB of memory in use. ENERGY: 667600 633.8337 1784.5647 1972.3761 123.1218 -0.6375 -1037.5972 0.0000 0.0000 2656.8751 6132.5365 293.4593 3475.6614 6162.6075 292.5044 PRESSURE: 667800 0 0 0 0 0 0 0 0 0 GPRESSURE: 667800 0 0 0 0 0 0 0 0 0 PRESSAVG: 667800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 667800 0 0 0 0 0 0 0 0 0 TIMING: 667800 CPU: 2640.71, 0.00394558/step Wall: 2640.71, 0.00394558/step, 2.00808 hours remaining, 112.210938 MB of memory in use. ENERGY: 667800 635.8020 1842.4487 1983.5298 103.0171 -1.5330 -1069.8795 0.0000 0.0000 2667.5484 6160.9335 294.6382 3493.3851 6194.9225 294.6636 PRESSURE: 668000 0 0 0 0 0 0 0 0 0 GPRESSURE: 668000 0 0 0 0 0 0 0 0 0 PRESSAVG: 668000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 668000 0 0 0 0 0 0 0 0 0 TIMING: 668000 CPU: 2641.5, 0.00394924/step Wall: 2641.5, 0.00394923/step, 2.00972 hours remaining, 112.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 668000 617.5629 1830.9200 2010.6128 115.5432 0.0107 -1062.3871 0.0000 0.0000 2618.2638 6130.5262 289.1945 3512.2624 6163.7601 294.3041 PRESSURE: 668200 0 0 0 0 0 0 0 0 0 GPRESSURE: 668200 0 0 0 0 0 0 0 0 0 PRESSAVG: 668200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 668200 0 0 0 0 0 0 0 0 0 TIMING: 668200 CPU: 2642.29, 0.0039487/step Wall: 2642.29, 0.0039487/step, 2.00923 hours remaining, 112.210938 MB of memory in use. ENERGY: 668200 694.5072 1880.9950 1981.3379 104.3032 0.2137 -1069.3911 0.0000 0.0000 2647.3872 6239.3531 292.4113 3591.9659 6268.9352 294.8357 LDB: ============= START OF LOAD BALANCING ============== 2645.25 LDB: ============== END OF LOAD BALANCING =============== 2645.25 LDB: =============== DONE WITH MIGRATION ================ 2645.25 LDB: ============= START OF LOAD BALANCING ============== 2645.64 LDB: ============== END OF LOAD BALANCING =============== 2645.64 LDB: =============== DONE WITH MIGRATION ================ 2645.64 PRESSURE: 668400 0 0 0 0 0 0 0 0 0 GPRESSURE: 668400 0 0 0 0 0 0 0 0 0 PRESSAVG: 668400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 668400 0 0 0 0 0 0 0 0 0 TIMING: 668400 CPU: 2643.08, 0.00395342/step Wall: 2643.08, 0.00395342/step, 2.01141 hours remaining, 112.210938 MB of memory in use. ENERGY: 668400 604.2884 1813.6081 1998.1805 108.7904 0.2751 -1020.6769 0.0000 0.0000 2726.8596 6231.3253 301.1892 3504.4656 6266.5181 297.7880 PRESSURE: 668600 0 0 0 0 0 0 0 0 0 GPRESSURE: 668600 0 0 0 0 0 0 0 0 0 PRESSAVG: 668600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 668600 0 0 0 0 0 0 0 0 0 TIMING: 668600 CPU: 2643.87, 0.00394716/step Wall: 2643.87, 0.00394716/step, 2.00801 hours remaining, 112.210938 MB of memory in use. ENERGY: 668600 666.4672 1813.6713 1998.6470 111.1353 -0.3336 -1062.1741 0.0000 0.0000 2765.9589 6293.3720 305.5079 3527.4131 6326.5194 299.6464 PRESSURE: 668800 0 0 0 0 0 0 0 0 0 GPRESSURE: 668800 0 0 0 0 0 0 0 0 0 PRESSAVG: 668800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 668800 0 0 0 0 0 0 0 0 0 TIMING: 668800 CPU: 2644.66, 0.00394691/step Wall: 2644.66, 0.00394691/step, 2.00766 hours remaining, 112.210938 MB of memory in use. ENERGY: 668800 654.5473 1825.9684 2049.2112 121.7375 -0.9561 -1057.5923 0.0000 0.0000 2713.1384 6306.0544 299.6737 3592.9160 6339.3692 300.3753 PRESSURE: 669000 0 0 0 0 0 0 0 0 0 GPRESSURE: 669000 0 0 0 0 0 0 0 0 0 PRESSAVG: 669000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 669000 0 0 0 0 0 0 0 0 0 TIMING: 669000 CPU: 2645.45, 0.00394787/step Wall: 2645.45, 0.00394787/step, 2.00793 hours remaining, 112.210938 MB of memory in use. ENERGY: 669000 652.9219 1815.6962 1998.6458 108.7632 0.0093 -1042.6155 0.0000 0.0000 2798.0750 6331.4959 309.0552 3533.4210 6366.9096 302.7526 PRESSURE: 669200 0 0 0 0 0 0 0 0 0 GPRESSURE: 669200 0 0 0 0 0 0 0 0 0 PRESSAVG: 669200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 669200 0 0 0 0 0 0 0 0 0 TIMING: 669200 CPU: 2646.24, 0.00394789/step Wall: 2646.24, 0.00394789/step, 2.00772 hours remaining, 112.210938 MB of memory in use. ENERGY: 669200 673.6053 1850.0537 1985.7174 104.8774 -0.1928 -1063.7640 0.0000 0.0000 2749.0497 6299.3466 303.6402 3550.2969 6336.0102 302.9821 PRESSURE: 669400 0 0 0 0 0 0 0 0 0 GPRESSURE: 669400 0 0 0 0 0 0 0 0 0 PRESSAVG: 669400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 669400 0 0 0 0 0 0 0 0 0 TIMING: 669400 CPU: 2647.03, 0.00394722/step Wall: 2647.03, 0.00394722/step, 2.00716 hours remaining, 112.210938 MB of memory in use. ENERGY: 669400 684.1103 1808.7709 2000.2002 117.7484 0.3083 -1037.2174 0.0000 0.0000 2700.3008 6274.2215 298.2557 3573.9207 6307.0918 300.4762 PRESSURE: 669600 0 0 0 0 0 0 0 0 0 GPRESSURE: 669600 0 0 0 0 0 0 0 0 0 PRESSAVG: 669600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 669600 0 0 0 0 0 0 0 0 0 TIMING: 669600 CPU: 2647.82, 0.00394435/step Wall: 2647.82, 0.00394436/step, 2.00549 hours remaining, 112.210938 MB of memory in use. ENERGY: 669600 665.3804 1839.3536 2015.5224 103.9089 -0.0194 -1049.2587 0.0000 0.0000 2686.3777 6261.2649 296.7179 3574.8871 6295.4359 299.5867 PRESSURE: 669800 0 0 0 0 0 0 0 0 0 GPRESSURE: 669800 0 0 0 0 0 0 0 0 0 PRESSAVG: 669800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 669800 0 0 0 0 0 0 0 0 0 TIMING: 669800 CPU: 2648.6, 0.00394614/step Wall: 2648.6, 0.00394614/step, 2.00617 hours remaining, 112.210938 MB of memory in use. ENERGY: 669800 669.5927 1756.7662 2020.6100 108.7883 0.2737 -1038.4666 0.0000 0.0000 2802.6630 6320.2273 309.5619 3517.5644 6357.1183 302.3674 PRESSURE: 670000 0 0 0 0 0 0 0 0 0 GPRESSURE: 670000 0 0 0 0 0 0 0 0 0 PRESSAVG: 670000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 670000 0 0 0 0 0 0 0 0 0 TIMING: 670000 CPU: 2649.39, 0.0039474/step Wall: 2649.39, 0.0039474/step, 2.00659 hours remaining, 112.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 670000 689.2357 1832.8914 1989.1377 108.9189 0.7562 -1035.3326 0.0000 0.0000 2691.4895 6277.0966 297.2825 3585.6071 6307.7766 300.4895 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 670000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 670000 WRITING COORDINATES TO RESTART FILE AT STEP 670000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 670000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 670200 0 0 0 0 0 0 0 0 0 GPRESSURE: 670200 0 0 0 0 0 0 0 0 0 PRESSAVG: 670200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 670200 0 0 0 0 0 0 0 0 0 TIMING: 670200 CPU: 2650.22, 0.00413102/step Wall: 2650.22, 0.00413102/step, 2.0997 hours remaining, 112.335938 MB of memory in use. ENERGY: 670200 639.6241 1816.5224 2003.1419 112.2605 -0.0293 -1035.3069 0.0000 0.0000 2713.8775 6250.0902 299.7553 3536.2127 6284.0951 299.1305 PRESSURE: 670400 0 0 0 0 0 0 0 0 0 GPRESSURE: 670400 0 0 0 0 0 0 0 0 0 PRESSAVG: 670400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 670400 0 0 0 0 0 0 0 0 0 TIMING: 670400 CPU: 2651.01, 0.00394738/step Wall: 2651.01, 0.00394738/step, 2.00615 hours remaining, 112.335938 MB of memory in use. ENERGY: 670400 643.7433 1811.8248 1996.3154 124.4571 0.8366 -1050.6674 0.0000 0.0000 2717.5185 6244.0285 300.1575 3526.5100 6277.3464 299.8081 PRESSURE: 670600 0 0 0 0 0 0 0 0 0 GPRESSURE: 670600 0 0 0 0 0 0 0 0 0 PRESSAVG: 670600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 670600 0 0 0 0 0 0 0 0 0 TIMING: 670600 CPU: 2651.8, 0.00394486/step Wall: 2651.8, 0.00394486/step, 2.00465 hours remaining, 112.335938 MB of memory in use. ENERGY: 670600 648.7043 1850.3665 1982.6523 105.7505 0.7524 -1057.6017 0.0000 0.0000 2704.4427 6235.0671 298.7132 3530.6243 6269.8354 298.1750 PRESSURE: 670800 0 0 0 0 0 0 0 0 0 GPRESSURE: 670800 0 0 0 0 0 0 0 0 0 PRESSAVG: 670800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 670800 0 0 0 0 0 0 0 0 0 TIMING: 670800 CPU: 2652.59, 0.00394732/step Wall: 2652.59, 0.00394732/step, 2.00568 hours remaining, 112.335938 MB of memory in use. ENERGY: 670800 684.7816 1827.5180 1976.4668 102.1801 1.2594 -1041.5834 0.0000 0.0000 2690.3592 6240.9816 297.1577 3550.6224 6273.0421 298.2255 PRESSURE: 671000 0 0 0 0 0 0 0 0 0 GPRESSURE: 671000 0 0 0 0 0 0 0 0 0 PRESSAVG: 671000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 671000 0 0 0 0 0 0 0 0 0 TIMING: 671000 CPU: 2653.38, 0.00394946/step Wall: 2653.38, 0.00394946/step, 2.00654 hours remaining, 112.335938 MB of memory in use. ENERGY: 671000 680.0895 1844.2308 2012.0301 110.3221 -0.5191 -1057.4376 0.0000 0.0000 2652.6614 6241.3771 292.9938 3588.7158 6272.4552 298.4202 PRESSURE: 671200 0 0 0 0 0 0 0 0 0 GPRESSURE: 671200 0 0 0 0 0 0 0 0 0 PRESSAVG: 671200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 671200 0 0 0 0 0 0 0 0 0 TIMING: 671200 CPU: 2654.17, 0.003948/step Wall: 2654.17, 0.003948/step, 2.00558 hours remaining, 112.335938 MB of memory in use. ENERGY: 671200 640.5716 1839.7096 1983.3109 99.2806 1.2489 -1060.9930 0.0000 0.0000 2757.7270 6260.8555 304.5986 3503.1285 6295.3466 299.3431 PRESSURE: 671400 0 0 0 0 0 0 0 0 0 GPRESSURE: 671400 0 0 0 0 0 0 0 0 0 PRESSAVG: 671400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 671400 0 0 0 0 0 0 0 0 0 TIMING: 671400 CPU: 2654.96, 0.00394678/step Wall: 2654.96, 0.00394678/step, 2.00474 hours remaining, 112.339844 MB of memory in use. ENERGY: 671400 663.4384 1844.2025 2011.6981 117.3704 1.0268 -1083.1465 0.0000 0.0000 2723.7699 6278.3596 300.8480 3554.5897 6314.3736 300.4772 PRESSURE: 671600 0 0 0 0 0 0 0 0 0 GPRESSURE: 671600 0 0 0 0 0 0 0 0 0 PRESSAVG: 671600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 671600 0 0 0 0 0 0 0 0 0 TIMING: 671600 CPU: 2655.75, 0.00394521/step Wall: 2655.75, 0.00394521/step, 2.00373 hours remaining, 112.339844 MB of memory in use. ENERGY: 671600 669.9721 1838.4686 2006.9440 121.4536 1.5073 -1088.4815 0.0000 0.0000 2712.6236 6262.4877 299.6168 3549.8641 6295.9788 301.5315 PRESSURE: 671800 0 0 0 0 0 0 0 0 0 GPRESSURE: 671800 0 0 0 0 0 0 0 0 0 PRESSAVG: 671800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 671800 0 0 0 0 0 0 0 0 0 TIMING: 671800 CPU: 2656.54, 0.00394717/step Wall: 2656.54, 0.00394717/step, 2.0045 hours remaining, 112.339844 MB of memory in use. ENERGY: 671800 620.7818 1823.7089 2038.3153 110.0667 2.1928 -1044.5021 0.0000 0.0000 2754.8716 6305.4350 304.2832 3550.5634 6340.5318 300.8084 PRESSURE: 672000 0 0 0 0 0 0 0 0 0 GPRESSURE: 672000 0 0 0 0 0 0 0 0 0 PRESSAVG: 672000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 672000 0 0 0 0 0 0 0 0 0 TIMING: 672000 CPU: 2657.32, 0.0039456/step Wall: 2657.32, 0.0039456/step, 2.00349 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 672000 681.6860 1856.6394 2036.5977 106.9159 1.4525 -1071.4233 0.0000 0.0000 2717.5029 6329.3710 300.1558 3611.8681 6360.5972 303.3030 PRESSURE: 672200 0 0 0 0 0 0 0 0 0 GPRESSURE: 672200 0 0 0 0 0 0 0 0 0 PRESSAVG: 672200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 672200 0 0 0 0 0 0 0 0 0 TIMING: 672200 CPU: 2658.11, 0.00394502/step Wall: 2658.11, 0.00394502/step, 2.00297 hours remaining, 112.339844 MB of memory in use. ENERGY: 672200 655.9700 1795.7377 2012.2638 109.9322 2.6880 -1056.5429 0.0000 0.0000 2773.2383 6293.2871 306.3119 3520.0488 6330.5378 302.0606 LDB: ============= START OF LOAD BALANCING ============== 2661.07 LDB: ============== END OF LOAD BALANCING =============== 2661.07 LDB: =============== DONE WITH MIGRATION ================ 2661.07 LDB: ============= START OF LOAD BALANCING ============== 2661.47 LDB: ============== END OF LOAD BALANCING =============== 2661.47 LDB: =============== DONE WITH MIGRATION ================ 2661.47 PRESSURE: 672400 0 0 0 0 0 0 0 0 0 GPRESSURE: 672400 0 0 0 0 0 0 0 0 0 PRESSAVG: 672400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 672400 0 0 0 0 0 0 0 0 0 TIMING: 672400 CPU: 2658.9, 0.0039537/step Wall: 2658.9, 0.0039537/step, 2.00716 hours remaining, 112.339844 MB of memory in use. ENERGY: 672400 650.5087 1840.7412 2028.3105 103.1482 -0.8416 -1034.9135 0.0000 0.0000 2726.5181 6313.4715 301.1515 3586.9534 6348.3246 302.0044 PRESSURE: 672600 0 0 0 0 0 0 0 0 0 GPRESSURE: 672600 0 0 0 0 0 0 0 0 0 PRESSAVG: 672600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 672600 0 0 0 0 0 0 0 0 0 TIMING: 672600 CPU: 2659.69, 0.00394627/step Wall: 2659.69, 0.00394627/step, 2.00317 hours remaining, 112.339844 MB of memory in use. ENERGY: 672600 633.8557 1878.7232 1992.9014 112.6746 -0.4259 -1042.2891 0.0000 0.0000 2673.7757 6249.2156 295.3260 3575.4399 6281.4389 301.3106 PRESSURE: 672800 0 0 0 0 0 0 0 0 0 GPRESSURE: 672800 0 0 0 0 0 0 0 0 0 PRESSAVG: 672800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 672800 0 0 0 0 0 0 0 0 0 TIMING: 672800 CPU: 2660.48, 0.00394719/step Wall: 2660.48, 0.00394719/step, 2.00342 hours remaining, 112.339844 MB of memory in use. ENERGY: 672800 662.6495 1833.3583 2019.3101 117.9383 1.2132 -1031.4158 0.0000 0.0000 2662.7899 6265.8434 294.1126 3603.0535 6298.5956 298.9816 PRESSURE: 673000 0 0 0 0 0 0 0 0 0 GPRESSURE: 673000 0 0 0 0 0 0 0 0 0 PRESSAVG: 673000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 673000 0 0 0 0 0 0 0 0 0 TIMING: 673000 CPU: 2661.27, 0.00394864/step Wall: 2661.27, 0.00394864/step, 2.00393 hours remaining, 112.339844 MB of memory in use. ENERGY: 673000 658.6739 1815.3357 2035.3770 110.7898 -0.6360 -1055.0208 0.0000 0.0000 2745.1826 6309.7022 303.2131 3564.5196 6343.3697 300.9058 PRESSURE: 673200 0 0 0 0 0 0 0 0 0 GPRESSURE: 673200 0 0 0 0 0 0 0 0 0 PRESSAVG: 673200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 673200 0 0 0 0 0 0 0 0 0 TIMING: 673200 CPU: 2662.06, 0.00395032/step Wall: 2662.06, 0.00395032/step, 2.00457 hours remaining, 112.339844 MB of memory in use. ENERGY: 673200 658.7644 1835.1165 2018.2301 108.1748 0.2147 -1055.6530 0.0000 0.0000 2714.3602 6279.2077 299.8086 3564.8476 6310.7028 299.9525 PRESSURE: 673400 0 0 0 0 0 0 0 0 0 GPRESSURE: 673400 0 0 0 0 0 0 0 0 0 PRESSAVG: 673400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 673400 0 0 0 0 0 0 0 0 0 TIMING: 673400 CPU: 2662.85, 0.00394368/step Wall: 2662.85, 0.00394368/step, 2.00098 hours remaining, 112.339844 MB of memory in use. ENERGY: 673400 678.1744 1834.7539 2005.7766 109.0889 -0.6735 -1020.4907 0.0000 0.0000 2651.0010 6257.6307 292.8104 3606.6296 6288.3746 297.8828 PRESSURE: 673600 0 0 0 0 0 0 0 0 0 GPRESSURE: 673600 0 0 0 0 0 0 0 0 0 PRESSAVG: 673600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 673600 0 0 0 0 0 0 0 0 0 TIMING: 673600 CPU: 2663.64, 0.00394938/step Wall: 2663.64, 0.00394938/step, 2.00365 hours remaining, 112.339844 MB of memory in use. ENERGY: 673600 676.9766 1831.2741 1990.0556 110.6774 0.5579 -1036.8763 0.0000 0.0000 2688.0603 6260.7256 296.9037 3572.6653 6291.5039 298.5534 PRESSURE: 673800 0 0 0 0 0 0 0 0 0 GPRESSURE: 673800 0 0 0 0 0 0 0 0 0 PRESSAVG: 673800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 673800 0 0 0 0 0 0 0 0 0 TIMING: 673800 CPU: 2664.43, 0.00395046/step Wall: 2664.43, 0.00395046/step, 2.00398 hours remaining, 112.339844 MB of memory in use. ENERGY: 673800 679.7192 1846.7936 2008.6186 110.0730 -0.4283 -1080.2218 0.0000 0.0000 2711.2033 6275.7577 299.4600 3564.5543 6309.6601 299.7487 PRESSURE: 674000 0 0 0 0 0 0 0 0 0 GPRESSURE: 674000 0 0 0 0 0 0 0 0 0 PRESSAVG: 674000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 674000 0 0 0 0 0 0 0 0 0 TIMING: 674000 CPU: 2665.22, 0.00394947/step Wall: 2665.22, 0.00394947/step, 2.00326 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 674000 631.7218 1903.5406 2000.6727 113.3684 0.0751 -1077.3150 0.0000 0.0000 2737.0251 6309.0887 302.3120 3572.0637 6342.1778 302.0645 PRESSURE: 674200 0 0 0 0 0 0 0 0 0 GPRESSURE: 674200 0 0 0 0 0 0 0 0 0 PRESSAVG: 674200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 674200 0 0 0 0 0 0 0 0 0 TIMING: 674200 CPU: 2666.01, 0.0039491/step Wall: 2666.01, 0.0039491/step, 2.00285 hours remaining, 112.339844 MB of memory in use. ENERGY: 674200 658.2484 1829.5112 1998.7664 112.0189 0.7792 -1054.2759 0.0000 0.0000 2731.6373 6276.6854 301.7170 3545.0481 6311.9624 303.6651 PRESSURE: 674400 0 0 0 0 0 0 0 0 0 GPRESSURE: 674400 0 0 0 0 0 0 0 0 0 PRESSAVG: 674400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 674400 0 0 0 0 0 0 0 0 0 TIMING: 674400 CPU: 2666.8, 0.00394326/step Wall: 2666.8, 0.00394326/step, 1.99967 hours remaining, 112.339844 MB of memory in use. ENERGY: 674400 654.9998 1830.3315 2019.9192 108.9272 0.3805 -1074.7867 0.0000 0.0000 2701.4253 6241.1967 298.3800 3539.7714 6274.9250 299.9443 PRESSURE: 674600 0 0 0 0 0 0 0 0 0 GPRESSURE: 674600 0 0 0 0 0 0 0 0 0 PRESSAVG: 674600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 674600 0 0 0 0 0 0 0 0 0 TIMING: 674600 CPU: 2667.59, 0.00395028/step Wall: 2667.59, 0.00395028/step, 2.00301 hours remaining, 112.339844 MB of memory in use. ENERGY: 674600 668.7571 1853.7449 1961.6100 108.7823 -0.7938 -1074.7239 0.0000 0.0000 2707.6366 6225.0132 299.0660 3517.3765 6256.6816 298.7739 PRESSURE: 674800 0 0 0 0 0 0 0 0 0 GPRESSURE: 674800 0 0 0 0 0 0 0 0 0 PRESSAVG: 674800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 674800 0 0 0 0 0 0 0 0 0 TIMING: 674800 CPU: 2668.38, 0.0039512/step Wall: 2668.38, 0.0039512/step, 2.00326 hours remaining, 112.339844 MB of memory in use. ENERGY: 674800 666.4670 1832.5302 1962.2051 110.5376 0.4408 -1065.9088 0.0000 0.0000 2715.1007 6221.3726 299.8904 3506.2719 6253.7899 297.6710 PRESSURE: 675000 0 0 0 0 0 0 0 0 0 GPRESSURE: 675000 0 0 0 0 0 0 0 0 0 PRESSAVG: 675000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 675000 0 0 0 0 0 0 0 0 0 TIMING: 675000 CPU: 2669.17, 0.00395155/step Wall: 2669.17, 0.00395155/step, 2.00322 hours remaining, 112.339844 MB of memory in use. ENERGY: 675000 673.8893 1903.3394 1979.2625 107.7189 0.9150 -1061.3584 0.0000 0.0000 2670.1285 6273.8952 294.9231 3603.7667 6304.1581 299.5573 PRESSURE: 675200 0 0 0 0 0 0 0 0 0 GPRESSURE: 675200 0 0 0 0 0 0 0 0 0 PRESSAVG: 675200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 675200 0 0 0 0 0 0 0 0 0 TIMING: 675200 CPU: 2669.96, 0.00395008/step Wall: 2669.96, 0.00395008/step, 2.00225 hours remaining, 112.339844 MB of memory in use. ENERGY: 675200 663.0841 1807.8453 1998.2822 102.3116 -1.0297 -1071.8396 0.0000 0.0000 2725.8582 6224.5122 301.0786 3498.6540 6257.4448 299.0244 PRESSURE: 675400 0 0 0 0 0 0 0 0 0 GPRESSURE: 675400 0 0 0 0 0 0 0 0 0 PRESSAVG: 675400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 675400 0 0 0 0 0 0 0 0 0 TIMING: 675400 CPU: 2670.75, 0.00394438/step Wall: 2670.75, 0.00394438/step, 1.99914 hours remaining, 112.339844 MB of memory in use. ENERGY: 675400 655.5076 1808.3948 1988.4587 106.1543 0.0482 -1065.5128 0.0000 0.0000 2655.2235 6148.2744 293.2768 3493.0509 6180.9499 295.6703 PRESSURE: 675600 0 0 0 0 0 0 0 0 0 GPRESSURE: 675600 0 0 0 0 0 0 0 0 0 PRESSAVG: 675600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 675600 0 0 0 0 0 0 0 0 0 TIMING: 675600 CPU: 2671.54, 0.00395029/step Wall: 2671.54, 0.00395029/step, 2.00192 hours remaining, 112.339844 MB of memory in use. ENERGY: 675600 647.4200 1810.2633 2005.3757 102.1383 -1.2393 -1046.2934 0.0000 0.0000 2689.7212 6207.3858 297.0872 3517.6646 6239.4122 295.7507 PRESSURE: 675800 0 0 0 0 0 0 0 0 0 GPRESSURE: 675800 0 0 0 0 0 0 0 0 0 PRESSAVG: 675800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 675800 0 0 0 0 0 0 0 0 0 TIMING: 675800 CPU: 2672.33, 0.00394729/step Wall: 2672.33, 0.00394729/step, 2.00018 hours remaining, 112.339844 MB of memory in use. ENERGY: 675800 670.2868 1808.1127 1998.7737 117.0455 -0.4764 -1081.5436 0.0000 0.0000 2749.1157 6261.3145 303.6475 3512.1988 6294.6330 298.4284 PRESSURE: 676000 0 0 0 0 0 0 0 0 0 GPRESSURE: 676000 0 0 0 0 0 0 0 0 0 PRESSAVG: 676000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 676000 0 0 0 0 0 0 0 0 0 TIMING: 676000 CPU: 2673.12, 0.00394808/step Wall: 2673.12, 0.00394808/step, 2.00036 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 676000 657.6394 1876.5693 1986.8644 110.8398 -1.2720 -1069.9485 0.0000 0.0000 2673.4383 6234.1308 295.2887 3560.6924 6264.0808 302.0923 PRESSURE: 676200 0 0 0 0 0 0 0 0 0 GPRESSURE: 676200 0 0 0 0 0 0 0 0 0 PRESSAVG: 676200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 676200 0 0 0 0 0 0 0 0 0 TIMING: 676200 CPU: 2673.91, 0.0039428/step Wall: 2673.91, 0.0039428/step, 1.99747 hours remaining, 112.339844 MB of memory in use. ENERGY: 676200 673.7105 1885.2106 2001.3114 102.3770 -0.5161 -1064.9534 0.0000 0.0000 2665.5850 6262.7250 294.4213 3597.1400 6294.1620 298.9274 LDB: ============= START OF LOAD BALANCING ============== 2676.87 LDB: ============== END OF LOAD BALANCING =============== 2676.87 LDB: =============== DONE WITH MIGRATION ================ 2676.87 LDB: ============= START OF LOAD BALANCING ============== 2677.26 LDB: ============== END OF LOAD BALANCING =============== 2677.26 LDB: =============== DONE WITH MIGRATION ================ 2677.26 PRESSURE: 676400 0 0 0 0 0 0 0 0 0 GPRESSURE: 676400 0 0 0 0 0 0 0 0 0 PRESSAVG: 676400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 676400 0 0 0 0 0 0 0 0 0 TIMING: 676400 CPU: 2674.7, 0.00395334/step Wall: 2674.7, 0.00395334/step, 2.00259 hours remaining, 112.339844 MB of memory in use. ENERGY: 676400 611.3650 1846.0487 1977.9116 97.1698 -0.9213 -1045.0889 0.0000 0.0000 2791.6881 6278.1731 308.3497 3486.4850 6313.2206 300.7555 PRESSURE: 676600 0 0 0 0 0 0 0 0 0 GPRESSURE: 676600 0 0 0 0 0 0 0 0 0 PRESSAVG: 676600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 676600 0 0 0 0 0 0 0 0 0 TIMING: 676600 CPU: 2675.49, 0.00394889/step Wall: 2675.49, 0.00394889/step, 2.00011 hours remaining, 112.339844 MB of memory in use. ENERGY: 676600 599.1135 1863.2143 1985.3089 100.6345 0.3196 -1021.7479 0.0000 0.0000 2708.8916 6235.7346 299.2046 3526.8429 6269.9094 299.2410 PRESSURE: 676800 0 0 0 0 0 0 0 0 0 GPRESSURE: 676800 0 0 0 0 0 0 0 0 0 PRESSAVG: 676800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 676800 0 0 0 0 0 0 0 0 0 TIMING: 676800 CPU: 2676.28, 0.00395006/step Wall: 2676.28, 0.00395006/step, 2.00049 hours remaining, 112.339844 MB of memory in use. ENERGY: 676800 669.7356 1797.0128 1967.5357 104.6456 1.3531 -1025.8671 0.0000 0.0000 2653.8065 6168.2222 293.1203 3514.4157 6200.5426 296.5768 PRESSURE: 677000 0 0 0 0 0 0 0 0 0 GPRESSURE: 677000 0 0 0 0 0 0 0 0 0 PRESSAVG: 677000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 677000 0 0 0 0 0 0 0 0 0 TIMING: 677000 CPU: 2677.07, 0.00394984/step Wall: 2677.07, 0.00394984/step, 2.00015 hours remaining, 112.339844 MB of memory in use. ENERGY: 677000 656.1540 1779.8940 1976.7485 95.8096 0.8961 -1051.3788 0.0000 0.0000 2689.0202 6147.1434 297.0098 3458.1232 6181.9147 294.5985 PRESSURE: 677200 0 0 0 0 0 0 0 0 0 GPRESSURE: 677200 0 0 0 0 0 0 0 0 0 PRESSAVG: 677200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 677200 0 0 0 0 0 0 0 0 0 TIMING: 677200 CPU: 2677.86, 0.00394514/step Wall: 2677.86, 0.00394514/step, 1.99756 hours remaining, 112.339844 MB of memory in use. ENERGY: 677200 640.0219 1845.4837 1971.9013 104.0020 -0.9383 -1047.3139 0.0000 0.0000 2704.3603 6217.5170 298.7041 3513.1567 6249.1254 296.0492 PRESSURE: 677400 0 0 0 0 0 0 0 0 0 GPRESSURE: 677400 0 0 0 0 0 0 0 0 0 PRESSAVG: 677400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 677400 0 0 0 0 0 0 0 0 0 TIMING: 677400 CPU: 2678.65, 0.00394958/step Wall: 2678.65, 0.00394958/step, 1.99958 hours remaining, 112.339844 MB of memory in use. ENERGY: 677400 626.1462 1822.5262 2000.3689 105.9507 0.6793 -1067.1210 0.0000 0.0000 2732.2448 6220.7952 301.7840 3488.5505 6253.1440 297.3490 PRESSURE: 677600 0 0 0 0 0 0 0 0 0 GPRESSURE: 677600 0 0 0 0 0 0 0 0 0 PRESSAVG: 677600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 677600 0 0 0 0 0 0 0 0 0 TIMING: 677600 CPU: 2679.44, 0.00394951/step Wall: 2679.44, 0.00394951/step, 1.99933 hours remaining, 112.339844 MB of memory in use. ENERGY: 677600 663.4125 1881.8720 2003.4345 105.4876 -1.3304 -1072.2303 0.0000 0.0000 2628.4118 6209.0577 290.3154 3580.6459 6241.5482 297.5072 PRESSURE: 677800 0 0 0 0 0 0 0 0 0 GPRESSURE: 677800 0 0 0 0 0 0 0 0 0 PRESSAVG: 677800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 677800 0 0 0 0 0 0 0 0 0 TIMING: 677800 CPU: 2680.23, 0.00395012/step Wall: 2680.23, 0.00395013/step, 1.99942 hours remaining, 112.339844 MB of memory in use. ENERGY: 677800 658.3258 1850.6982 2001.1397 102.7088 -0.0482 -1056.7466 0.0000 0.0000 2643.5722 6199.6499 291.9899 3556.0777 6229.9263 298.2652 PRESSURE: 678000 0 0 0 0 0 0 0 0 0 GPRESSURE: 678000 0 0 0 0 0 0 0 0 0 PRESSAVG: 678000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 678000 0 0 0 0 0 0 0 0 0 TIMING: 678000 CPU: 2681.02, 0.00395169/step Wall: 2681.02, 0.00395169/step, 1.99999 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 678000 671.7467 1862.4206 2013.6913 100.1522 0.4788 -1051.5330 0.0000 0.0000 2663.3265 6260.2831 294.1718 3596.9566 6292.9554 298.4532 PRESSURE: 678200 0 0 0 0 0 0 0 0 0 GPRESSURE: 678200 0 0 0 0 0 0 0 0 0 PRESSAVG: 678200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 678200 0 0 0 0 0 0 0 0 0 TIMING: 678200 CPU: 2681.81, 0.00395679/step Wall: 2681.81, 0.00395679/step, 2.00236 hours remaining, 112.339844 MB of memory in use. ENERGY: 678200 709.2243 1863.3718 1983.4586 112.5560 0.6334 -1104.5169 0.0000 0.0000 2671.9273 6236.6545 295.1218 3564.7272 6266.2732 300.0104 PRESSURE: 678400 0 0 0 0 0 0 0 0 0 GPRESSURE: 678400 0 0 0 0 0 0 0 0 0 PRESSAVG: 678400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 678400 0 0 0 0 0 0 0 0 0 TIMING: 678400 CPU: 2682.6, 0.00395462/step Wall: 2682.6, 0.00395462/step, 2.00104 hours remaining, 112.339844 MB of memory in use. ENERGY: 678400 662.4600 1801.7822 2003.9120 109.1423 1.1418 -1065.8759 0.0000 0.0000 2760.0033 6272.5657 304.8501 3512.5624 6308.3994 299.9059 PRESSURE: 678600 0 0 0 0 0 0 0 0 0 GPRESSURE: 678600 0 0 0 0 0 0 0 0 0 PRESSAVG: 678600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 678600 0 0 0 0 0 0 0 0 0 TIMING: 678600 CPU: 2683.39, 0.00395268/step Wall: 2683.39, 0.00395268/step, 1.99984 hours remaining, 112.339844 MB of memory in use. ENERGY: 678600 677.7409 1859.1987 1985.8016 100.6585 2.4591 -1058.1843 0.0000 0.0000 2721.0898 6288.7644 300.5519 3567.6746 6323.3111 301.8333 PRESSURE: 678800 0 0 0 0 0 0 0 0 0 GPRESSURE: 678800 0 0 0 0 0 0 0 0 0 PRESSAVG: 678800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 678800 0 0 0 0 0 0 0 0 0 TIMING: 678800 CPU: 2684.18, 0.00395148/step Wall: 2684.18, 0.00395148/step, 1.99901 hours remaining, 112.339844 MB of memory in use. ENERGY: 678800 664.1625 1841.2166 1999.1574 105.6253 1.2974 -1044.8631 0.0000 0.0000 2693.9216 6260.5177 297.5511 3566.5961 6295.4627 300.0297 PRESSURE: 679000 0 0 0 0 0 0 0 0 0 GPRESSURE: 679000 0 0 0 0 0 0 0 0 0 PRESSAVG: 679000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 679000 0 0 0 0 0 0 0 0 0 TIMING: 679000 CPU: 2684.97, 0.00394874/step Wall: 2684.97, 0.00394874/step, 1.99741 hours remaining, 112.339844 MB of memory in use. ENERGY: 679000 669.5947 1830.3359 2018.1923 110.0580 -0.1009 -1028.8040 0.0000 0.0000 2663.2392 6262.5151 294.1622 3599.2760 6293.2010 300.0457 PRESSURE: 679200 0 0 0 0 0 0 0 0 0 GPRESSURE: 679200 0 0 0 0 0 0 0 0 0 PRESSAVG: 679200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 679200 0 0 0 0 0 0 0 0 0 TIMING: 679200 CPU: 2685.76, 0.00394393/step Wall: 2685.76, 0.00394393/step, 1.99475 hours remaining, 112.339844 MB of memory in use. ENERGY: 679200 614.4954 1873.9188 2005.2084 119.3791 0.7798 -1037.3058 0.0000 0.0000 2687.4669 6263.9427 296.8382 3576.4758 6296.6000 300.5445 PRESSURE: 679400 0 0 0 0 0 0 0 0 0 GPRESSURE: 679400 0 0 0 0 0 0 0 0 0 PRESSAVG: 679400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 679400 0 0 0 0 0 0 0 0 0 TIMING: 679400 CPU: 2686.55, 0.0039492/step Wall: 2686.55, 0.0039492/step, 1.9972 hours remaining, 112.339844 MB of memory in use. ENERGY: 679400 686.2158 1864.9048 1996.5487 108.5689 0.2003 -1055.4225 0.0000 0.0000 2645.5058 6246.5217 292.2035 3601.0160 6277.7825 300.4348 PRESSURE: 679600 0 0 0 0 0 0 0 0 0 GPRESSURE: 679600 0 0 0 0 0 0 0 0 0 PRESSAVG: 679600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 679600 0 0 0 0 0 0 0 0 0 TIMING: 679600 CPU: 2687.34, 0.00395089/step Wall: 2687.34, 0.00395089/step, 1.99783 hours remaining, 112.339844 MB of memory in use. ENERGY: 679600 670.1764 1817.0970 1972.8303 95.8759 0.6001 -1040.2002 0.0000 0.0000 2705.2088 6221.5884 298.7978 3516.3796 6253.9311 299.1889 PRESSURE: 679800 0 0 0 0 0 0 0 0 0 GPRESSURE: 679800 0 0 0 0 0 0 0 0 0 PRESSAVG: 679800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 679800 0 0 0 0 0 0 0 0 0 TIMING: 679800 CPU: 2688.13, 0.00395008/step Wall: 2688.13, 0.00395008/step, 1.99721 hours remaining, 112.339844 MB of memory in use. ENERGY: 679800 640.2208 1819.9104 1975.8479 105.4235 1.5916 -1025.7468 0.0000 0.0000 2730.5465 6247.7939 301.5965 3517.2474 6279.8761 299.0675 PRESSURE: 680000 0 0 0 0 0 0 0 0 0 GPRESSURE: 680000 0 0 0 0 0 0 0 0 0 PRESSAVG: 680000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 680000 0 0 0 0 0 0 0 0 0 TIMING: 680000 CPU: 2688.92, 0.00394571/step Wall: 2688.92, 0.00394571/step, 1.99478 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 680000 678.4234 1831.7323 1993.3555 110.8995 0.3374 -1059.0631 0.0000 0.0000 2725.0674 6280.7524 300.9913 3555.6850 6316.6173 301.5144 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 680000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 680000 WRITING COORDINATES TO RESTART FILE AT STEP 680000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 680000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 680200 0 0 0 0 0 0 0 0 0 GPRESSURE: 680200 0 0 0 0 0 0 0 0 0 PRESSAVG: 680200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 680200 0 0 0 0 0 0 0 0 0 TIMING: 680200 CPU: 2689.76, 0.00421965/step Wall: 2689.76, 0.00421965/step, 2.13303 hours remaining, 112.339844 MB of memory in use. ENERGY: 680200 656.4885 1828.4166 1999.6560 122.2768 1.1926 -1061.5444 0.0000 0.0000 2705.7126 6252.1986 298.8535 3546.4860 6285.9105 301.3046 LDB: ============= START OF LOAD BALANCING ============== 2692.72 LDB: ============== END OF LOAD BALANCING =============== 2692.72 LDB: =============== DONE WITH MIGRATION ================ 2692.72 LDB: ============= START OF LOAD BALANCING ============== 2693.12 LDB: ============== END OF LOAD BALANCING =============== 2693.12 LDB: =============== DONE WITH MIGRATION ================ 2693.12 PRESSURE: 680400 0 0 0 0 0 0 0 0 0 GPRESSURE: 680400 0 0 0 0 0 0 0 0 0 PRESSAVG: 680400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 680400 0 0 0 0 0 0 0 0 0 TIMING: 680400 CPU: 2690.55, 0.0039552/step Wall: 2690.55, 0.0039552/step, 1.99914 hours remaining, 112.339844 MB of memory in use. ENERGY: 680400 685.5864 1828.5568 1998.9634 99.4498 2.9489 -1086.6936 0.0000 0.0000 2695.3040 6224.1157 297.7038 3528.8117 6256.5915 300.0294 PRESSURE: 680600 0 0 0 0 0 0 0 0 0 GPRESSURE: 680600 0 0 0 0 0 0 0 0 0 PRESSAVG: 680600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 680600 0 0 0 0 0 0 0 0 0 TIMING: 680600 CPU: 2691.34, 0.00395262/step Wall: 2691.34, 0.00395262/step, 1.99761 hours remaining, 112.339844 MB of memory in use. ENERGY: 680600 642.6020 1839.0020 1974.7031 102.1704 3.0776 -1035.5759 0.0000 0.0000 2669.1238 6195.1030 294.8122 3525.9792 6227.2801 297.2673 PRESSURE: 680800 0 0 0 0 0 0 0 0 0 GPRESSURE: 680800 0 0 0 0 0 0 0 0 0 PRESSAVG: 680800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 680800 0 0 0 0 0 0 0 0 0 TIMING: 680800 CPU: 2692.13, 0.00395036/step Wall: 2692.13, 0.00395036/step, 1.99625 hours remaining, 112.339844 MB of memory in use. ENERGY: 680800 680.6749 1809.1171 1963.4403 115.0426 2.3442 -1056.1439 0.0000 0.0000 2706.7793 6221.2547 298.9713 3514.4754 6253.8863 297.0995 PRESSURE: 681000 0 0 0 0 0 0 0 0 0 GPRESSURE: 681000 0 0 0 0 0 0 0 0 0 PRESSAVG: 681000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 681000 0 0 0 0 0 0 0 0 0 TIMING: 681000 CPU: 2692.92, 0.00394459/step Wall: 2692.92, 0.00394459/step, 1.99312 hours remaining, 112.339844 MB of memory in use. ENERGY: 681000 657.1152 1778.2124 1973.9163 106.5241 1.6782 -996.0136 0.0000 0.0000 2723.5457 6244.9783 300.8232 3521.4326 6277.0650 297.7511 PRESSURE: 681200 0 0 0 0 0 0 0 0 0 GPRESSURE: 681200 0 0 0 0 0 0 0 0 0 PRESSAVG: 681200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 681200 0 0 0 0 0 0 0 0 0 TIMING: 681200 CPU: 2693.71, 0.00395119/step Wall: 2693.71, 0.00395119/step, 1.99623 hours remaining, 112.339844 MB of memory in use. ENERGY: 681200 656.4558 1855.5772 1953.8511 107.5940 2.3054 -1030.4131 0.0000 0.0000 2717.6241 6262.9944 300.1691 3545.3704 6292.3738 298.2730 PRESSURE: 681400 0 0 0 0 0 0 0 0 0 GPRESSURE: 681400 0 0 0 0 0 0 0 0 0 PRESSAVG: 681400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 681400 0 0 0 0 0 0 0 0 0 TIMING: 681400 CPU: 2694.5, 0.00395052/step Wall: 2694.5, 0.00395052/step, 1.99567 hours remaining, 112.339844 MB of memory in use. ENERGY: 681400 637.3613 1833.7544 2000.1820 125.5567 2.4216 -1056.9496 0.0000 0.0000 2747.1765 6289.5030 303.4333 3542.3264 6322.6295 301.4504 PRESSURE: 681600 0 0 0 0 0 0 0 0 0 GPRESSURE: 681600 0 0 0 0 0 0 0 0 0 PRESSAVG: 681600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 681600 0 0 0 0 0 0 0 0 0 TIMING: 681600 CPU: 2695.29, 0.00395011/step Wall: 2695.29, 0.00395011/step, 1.99524 hours remaining, 112.339844 MB of memory in use. ENERGY: 681600 642.2884 1821.3167 1987.0043 109.1443 1.5270 -1069.2689 0.0000 0.0000 2715.2649 6207.2768 299.9086 3492.0119 6240.0315 300.6323 PRESSURE: 681800 0 0 0 0 0 0 0 0 0 GPRESSURE: 681800 0 0 0 0 0 0 0 0 0 PRESSAVG: 681800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 681800 0 0 0 0 0 0 0 0 0 TIMING: 681800 CPU: 2696.08, 0.00395091/step Wall: 2696.08, 0.00395091/step, 1.99543 hours remaining, 112.339844 MB of memory in use. ENERGY: 681800 653.4776 1780.9660 2006.8932 100.9657 1.9774 -1062.3878 0.0000 0.0000 2729.4828 6211.3749 301.4790 3481.8921 6245.3412 298.4532 PRESSURE: 682000 0 0 0 0 0 0 0 0 0 GPRESSURE: 682000 0 0 0 0 0 0 0 0 0 PRESSAVG: 682000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 682000 0 0 0 0 0 0 0 0 0 TIMING: 682000 CPU: 2696.87, 0.00394495/step Wall: 2696.87, 0.00394495/step, 1.9922 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 682000 618.5420 1831.2214 1999.3245 112.5831 -0.1270 -1055.3661 0.0000 0.0000 2690.4192 6196.5971 297.1643 3506.1779 6230.5188 296.9950 PRESSURE: 682200 0 0 0 0 0 0 0 0 0 GPRESSURE: 682200 0 0 0 0 0 0 0 0 0 PRESSAVG: 682200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 682200 0 0 0 0 0 0 0 0 0 TIMING: 682200 CPU: 2697.66, 0.0039503/step Wall: 2697.66, 0.0039503/step, 1.99468 hours remaining, 112.339844 MB of memory in use. ENERGY: 682200 628.8527 1831.4437 1989.3888 101.8328 0.3459 -1071.3807 0.0000 0.0000 2750.2732 6230.7564 303.7753 3480.4832 6263.7918 298.3536 PRESSURE: 682400 0 0 0 0 0 0 0 0 0 GPRESSURE: 682400 0 0 0 0 0 0 0 0 0 PRESSAVG: 682400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 682400 0 0 0 0 0 0 0 0 0 TIMING: 682400 CPU: 2698.45, 0.00394742/step Wall: 2698.45, 0.00394742/step, 1.99301 hours remaining, 112.339844 MB of memory in use. ENERGY: 682400 641.8440 1830.7111 2005.3029 114.7916 1.3679 -1061.9551 0.0000 0.0000 2710.2351 6242.2974 299.3530 3532.0623 6276.5262 298.0048 PRESSURE: 682600 0 0 0 0 0 0 0 0 0 GPRESSURE: 682600 0 0 0 0 0 0 0 0 0 PRESSAVG: 682600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 682600 0 0 0 0 0 0 0 0 0 TIMING: 682600 CPU: 2699.24, 0.00395427/step Wall: 2699.24, 0.00395427/step, 1.99625 hours remaining, 112.339844 MB of memory in use. ENERGY: 682600 677.3293 1884.8449 2007.5169 104.0034 0.9390 -1085.9412 0.0000 0.0000 2674.7179 6263.4102 295.4300 3588.6923 6295.2468 298.6859 PRESSURE: 682800 0 0 0 0 0 0 0 0 0 GPRESSURE: 682800 0 0 0 0 0 0 0 0 0 PRESSAVG: 682800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 682800 0 0 0 0 0 0 0 0 0 TIMING: 682800 CPU: 2700.03, 0.00394753/step Wall: 2700.03, 0.00394753/step, 1.99263 hours remaining, 112.339844 MB of memory in use. ENERGY: 682800 673.6164 1845.9109 2000.6088 106.0578 1.0761 -1054.0417 0.0000 0.0000 2675.9336 6249.1620 295.5643 3573.2284 6280.9910 298.2090 PRESSURE: 683000 0 0 0 0 0 0 0 0 0 GPRESSURE: 683000 0 0 0 0 0 0 0 0 0 PRESSAVG: 683000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 683000 0 0 0 0 0 0 0 0 0 TIMING: 683000 CPU: 2700.82, 0.00394418/step Wall: 2700.82, 0.00394418/step, 1.99072 hours remaining, 112.339844 MB of memory in use. ENERGY: 683000 688.5779 1816.2472 2016.0185 105.1658 0.6684 -1063.7336 0.0000 0.0000 2673.2126 6236.1568 295.2638 3562.9441 6270.0617 299.4595 PRESSURE: 683200 0 0 0 0 0 0 0 0 0 GPRESSURE: 683200 0 0 0 0 0 0 0 0 0 PRESSAVG: 683200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 683200 0 0 0 0 0 0 0 0 0 TIMING: 683200 CPU: 2701.61, 0.00395028/step Wall: 2701.61, 0.00395028/step, 1.99357 hours remaining, 112.339844 MB of memory in use. ENERGY: 683200 660.1891 1771.3378 2007.5180 105.9852 1.4008 -1052.5853 0.0000 0.0000 2662.5159 6156.3615 294.0823 3493.8456 6189.3219 296.7652 PRESSURE: 683400 0 0 0 0 0 0 0 0 0 GPRESSURE: 683400 0 0 0 0 0 0 0 0 0 PRESSAVG: 683400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 683400 0 0 0 0 0 0 0 0 0 TIMING: 683400 CPU: 2702.4, 0.003948/step Wall: 2702.4, 0.003948/step, 1.9922 hours remaining, 112.339844 MB of memory in use. ENERGY: 683400 652.2528 1843.4610 1951.9157 86.7593 2.0709 -1055.7338 0.0000 0.0000 2708.8803 6189.6063 299.2034 3480.7260 6223.1043 295.6256 PRESSURE: 683600 0 0 0 0 0 0 0 0 0 GPRESSURE: 683600 0 0 0 0 0 0 0 0 0 PRESSAVG: 683600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 683600 0 0 0 0 0 0 0 0 0 TIMING: 683600 CPU: 2703.19, 0.00394894/step Wall: 2703.19, 0.00394894/step, 1.99246 hours remaining, 112.339844 MB of memory in use. ENERGY: 683600 645.1977 1819.8376 1988.0505 100.5009 2.1196 -1021.7918 0.0000 0.0000 2695.2406 6229.1551 297.6968 3533.9146 6260.1737 296.8551 PRESSURE: 683800 0 0 0 0 0 0 0 0 0 GPRESSURE: 683800 0 0 0 0 0 0 0 0 0 PRESSAVG: 683800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 683800 0 0 0 0 0 0 0 0 0 TIMING: 683800 CPU: 2703.98, 0.0039465/step Wall: 2703.98, 0.0039465/step, 1.99101 hours remaining, 112.339844 MB of memory in use. ENERGY: 683800 626.8241 1846.1338 1972.9144 101.9773 0.0747 -1064.1393 0.0000 0.0000 2711.1637 6194.9488 299.4556 3483.7850 6227.5004 297.6016 PRESSURE: 684000 0 0 0 0 0 0 0 0 0 GPRESSURE: 684000 0 0 0 0 0 0 0 0 0 PRESSAVG: 684000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 684000 0 0 0 0 0 0 0 0 0 TIMING: 684000 CPU: 2704.77, 0.00394565/step Wall: 2704.77, 0.00394565/step, 1.99036 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 684000 663.3246 1840.9734 2014.0158 101.4930 -0.3645 -1057.5851 0.0000 0.0000 2671.6475 6233.5047 295.0909 3561.8572 6268.4530 297.4818 PRESSURE: 684200 0 0 0 0 0 0 0 0 0 GPRESSURE: 684200 0 0 0 0 0 0 0 0 0 PRESSAVG: 684200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 684200 0 0 0 0 0 0 0 0 0 TIMING: 684200 CPU: 2705.56, 0.00394884/step Wall: 2705.56, 0.00394884/step, 1.99175 hours remaining, 112.339844 MB of memory in use. ENERGY: 684200 657.9985 1848.9839 1997.1095 101.7034 0.0790 -1057.5908 0.0000 0.0000 2688.9002 6237.1837 296.9965 3548.2835 6269.4531 299.0743 LDB: ============= START OF LOAD BALANCING ============== 2708.52 LDB: ============== END OF LOAD BALANCING =============== 2708.52 LDB: =============== DONE WITH MIGRATION ================ 2708.52 LDB: ============= START OF LOAD BALANCING ============== 2708.91 LDB: ============== END OF LOAD BALANCING =============== 2708.91 LDB: =============== DONE WITH MIGRATION ================ 2708.91 PRESSURE: 684400 0 0 0 0 0 0 0 0 0 GPRESSURE: 684400 0 0 0 0 0 0 0 0 0 PRESSAVG: 684400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 684400 0 0 0 0 0 0 0 0 0 TIMING: 684400 CPU: 2706.35, 0.00395167/step Wall: 2706.35, 0.00395167/step, 1.99296 hours remaining, 112.339844 MB of memory in use. ENERGY: 684400 690.2335 1838.5778 1975.8976 114.3182 0.1583 -1081.9475 0.0000 0.0000 2714.4010 6251.6389 299.8131 3537.2379 6284.1809 299.3533 PRESSURE: 684600 0 0 0 0 0 0 0 0 0 GPRESSURE: 684600 0 0 0 0 0 0 0 0 0 PRESSAVG: 684600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 684600 0 0 0 0 0 0 0 0 0 TIMING: 684600 CPU: 2707.14, 0.00394961/step Wall: 2707.14, 0.00394961/step, 1.9917 hours remaining, 112.339844 MB of memory in use. ENERGY: 684600 662.6511 1831.0534 2007.6736 105.3733 2.0309 -1092.5289 0.0000 0.0000 2694.7086 6210.9620 297.6381 3516.2534 6245.2413 299.9867 PRESSURE: 684800 0 0 0 0 0 0 0 0 0 GPRESSURE: 684800 0 0 0 0 0 0 0 0 0 PRESSAVG: 684800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 684800 0 0 0 0 0 0 0 0 0 TIMING: 684800 CPU: 2707.93, 0.00394454/step Wall: 2707.93, 0.00394454/step, 1.98892 hours remaining, 112.339844 MB of memory in use. ENERGY: 684800 622.8554 1828.8790 1992.3431 103.3441 1.4755 -1041.1637 0.0000 0.0000 2715.4642 6223.1976 299.9306 3507.7333 6258.3198 297.4310 PRESSURE: 685000 0 0 0 0 0 0 0 0 0 GPRESSURE: 685000 0 0 0 0 0 0 0 0 0 PRESSAVG: 685000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 685000 0 0 0 0 0 0 0 0 0 TIMING: 685000 CPU: 2708.72, 0.00394893/step Wall: 2708.72, 0.00394893/step, 1.99092 hours remaining, 112.339844 MB of memory in use. ENERGY: 685000 610.1372 1826.7945 2009.7446 111.0326 1.4938 -1041.3470 0.0000 0.0000 2675.8684 6193.7240 295.5571 3517.8556 6226.8522 295.4500 PRESSURE: 685200 0 0 0 0 0 0 0 0 0 GPRESSURE: 685200 0 0 0 0 0 0 0 0 0 PRESSAVG: 685200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 685200 0 0 0 0 0 0 0 0 0 TIMING: 685200 CPU: 2709.51, 0.00394913/step Wall: 2709.51, 0.00394913/step, 1.9908 hours remaining, 112.339844 MB of memory in use. ENERGY: 685200 682.7611 1826.0530 1973.2820 115.6873 1.5074 -1071.1617 0.0000 0.0000 2647.2938 6175.4229 292.4010 3528.1291 6207.9734 294.8650 PRESSURE: 685400 0 0 0 0 0 0 0 0 0 GPRESSURE: 685400 0 0 0 0 0 0 0 0 0 PRESSAVG: 685400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 685400 0 0 0 0 0 0 0 0 0 TIMING: 685400 CPU: 2710.3, 0.00394724/step Wall: 2710.3, 0.00394724/step, 1.98963 hours remaining, 112.339844 MB of memory in use. ENERGY: 685400 662.8920 1806.9634 1967.5161 113.0708 1.0171 -1047.9625 0.0000 0.0000 2723.6998 6227.1968 300.8402 3503.4970 6258.9190 296.9496 PRESSURE: 685600 0 0 0 0 0 0 0 0 0 GPRESSURE: 685600 0 0 0 0 0 0 0 0 0 PRESSAVG: 685600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 685600 0 0 0 0 0 0 0 0 0 TIMING: 685600 CPU: 2711.09, 0.0039478/step Wall: 2711.09, 0.0039478/step, 1.98969 hours remaining, 112.339844 MB of memory in use. ENERGY: 685600 677.9623 1844.4571 1957.4260 112.7408 0.9665 -1057.5243 0.0000 0.0000 2712.1062 6248.1347 299.5597 3536.0285 6282.2005 298.4067 PRESSURE: 685800 0 0 0 0 0 0 0 0 0 GPRESSURE: 685800 0 0 0 0 0 0 0 0 0 PRESSAVG: 685800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 685800 0 0 0 0 0 0 0 0 0 TIMING: 685800 CPU: 2711.87, 0.00394163/step Wall: 2711.87, 0.00394163/step, 1.98636 hours remaining, 112.339844 MB of memory in use. ENERGY: 685800 668.7777 1875.8953 1977.2315 108.7229 1.4235 -1041.4884 0.0000 0.0000 2727.9593 6318.5218 301.3107 3590.5625 6353.8517 302.7751 PRESSURE: 686000 0 0 0 0 0 0 0 0 0 GPRESSURE: 686000 0 0 0 0 0 0 0 0 0 PRESSAVG: 686000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 686000 0 0 0 0 0 0 0 0 0 TIMING: 686000 CPU: 2712.66, 0.00394883/step Wall: 2712.66, 0.00394883/step, 1.98977 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 686000 634.2106 1867.3389 1997.9601 107.8328 -0.2117 -1023.7669 0.0000 0.0000 2768.5478 6351.9116 305.7938 3583.3639 6386.1122 303.4437 PRESSURE: 686200 0 0 0 0 0 0 0 0 0 GPRESSURE: 686200 0 0 0 0 0 0 0 0 0 PRESSAVG: 686200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 686200 0 0 0 0 0 0 0 0 0 TIMING: 686200 CPU: 2713.45, 0.0039485/step Wall: 2713.45, 0.0039485/step, 1.98939 hours remaining, 112.339844 MB of memory in use. ENERGY: 686200 656.0531 1867.6147 1994.6509 121.4449 0.4489 -1050.1030 0.0000 0.0000 2772.9478 6363.0574 306.2798 3590.1096 6399.1005 305.7702 PRESSURE: 686400 0 0 0 0 0 0 0 0 0 GPRESSURE: 686400 0 0 0 0 0 0 0 0 0 PRESSAVG: 686400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 686400 0 0 0 0 0 0 0 0 0 TIMING: 686400 CPU: 2714.24, 0.00395009/step Wall: 2714.24, 0.00395009/step, 1.98997 hours remaining, 112.339844 MB of memory in use. ENERGY: 686400 646.6596 1843.5010 2019.4128 104.7024 0.8475 -1061.8225 0.0000 0.0000 2781.5533 6334.8540 307.2303 3553.3008 6369.9666 304.5048 PRESSURE: 686600 0 0 0 0 0 0 0 0 0 GPRESSURE: 686600 0 0 0 0 0 0 0 0 0 PRESSAVG: 686600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 686600 0 0 0 0 0 0 0 0 0 TIMING: 686600 CPU: 2715.03, 0.00394952/step Wall: 2715.03, 0.00394952/step, 1.98946 hours remaining, 112.339844 MB of memory in use. ENERGY: 686600 638.2050 1857.1333 2028.9023 105.0101 0.8298 -1024.8128 0.0000 0.0000 2774.9320 6380.1997 306.4990 3605.2677 6417.1212 303.9766 PRESSURE: 686800 0 0 0 0 0 0 0 0 0 GPRESSURE: 686800 0 0 0 0 0 0 0 0 0 PRESSAVG: 686800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 686800 0 0 0 0 0 0 0 0 0 TIMING: 686800 CPU: 2715.82, 0.00394453/step Wall: 2715.82, 0.00394453/step, 1.98673 hours remaining, 112.339844 MB of memory in use. ENERGY: 686800 638.9487 1871.0582 2018.7268 116.1724 2.5478 -1059.8632 0.0000 0.0000 2776.1994 6363.7901 306.6390 3587.5907 6397.8193 303.9013 PRESSURE: 687000 0 0 0 0 0 0 0 0 0 GPRESSURE: 687000 0 0 0 0 0 0 0 0 0 PRESSAVG: 687000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 687000 0 0 0 0 0 0 0 0 0 TIMING: 687000 CPU: 2716.61, 0.00394753/step Wall: 2716.61, 0.00394753/step, 1.98802 hours remaining, 112.339844 MB of memory in use. ENERGY: 687000 657.1062 1882.9276 1999.5044 116.5152 1.3668 -1057.9382 0.0000 0.0000 2747.6674 6347.1493 303.4875 3599.4820 6381.9900 304.7361 PRESSURE: 687200 0 0 0 0 0 0 0 0 0 GPRESSURE: 687200 0 0 0 0 0 0 0 0 0 PRESSAVG: 687200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 687200 0 0 0 0 0 0 0 0 0 TIMING: 687200 CPU: 2717.4, 0.00394855/step Wall: 2717.4, 0.00394855/step, 1.98831 hours remaining, 112.339844 MB of memory in use. ENERGY: 687200 660.5701 1830.1102 2035.6596 100.3938 0.7957 -1026.0798 0.0000 0.0000 2721.7334 6323.1830 300.6230 3601.4495 6356.1771 301.9992 PRESSURE: 687400 0 0 0 0 0 0 0 0 0 GPRESSURE: 687400 0 0 0 0 0 0 0 0 0 PRESSAVG: 687400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 687400 0 0 0 0 0 0 0 0 0 TIMING: 687400 CPU: 2718.19, 0.00394938/step Wall: 2718.19, 0.00394939/step, 1.98852 hours remaining, 112.339844 MB of memory in use. ENERGY: 687400 646.8647 1894.5001 2014.5642 108.3034 0.5362 -1038.6995 0.0000 0.0000 2726.7069 6352.7761 301.1724 3626.0692 6382.5468 303.6045 PRESSURE: 687600 0 0 0 0 0 0 0 0 0 GPRESSURE: 687600 0 0 0 0 0 0 0 0 0 PRESSAVG: 687600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 687600 0 0 0 0 0 0 0 0 0 TIMING: 687600 CPU: 2718.98, 0.00394448/step Wall: 2718.98, 0.00394448/step, 1.98583 hours remaining, 112.339844 MB of memory in use. ENERGY: 687600 650.2340 1834.9043 2005.0019 112.7844 1.8443 -1017.1751 0.0000 0.0000 2773.1850 6360.7787 306.3060 3587.5938 6394.8563 303.3591 PRESSURE: 687800 0 0 0 0 0 0 0 0 0 GPRESSURE: 687800 0 0 0 0 0 0 0 0 0 PRESSAVG: 687800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 687800 0 0 0 0 0 0 0 0 0 TIMING: 687800 CPU: 2719.77, 0.00394985/step Wall: 2719.77, 0.00394985/step, 1.98831 hours remaining, 112.339844 MB of memory in use. ENERGY: 687800 657.3961 1858.2512 1982.1614 115.8272 0.8921 -1047.1950 0.0000 0.0000 2803.0456 6370.3785 309.6042 3567.3329 6403.3747 305.8809 PRESSURE: 688000 0 0 0 0 0 0 0 0 0 GPRESSURE: 688000 0 0 0 0 0 0 0 0 0 PRESSAVG: 688000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 688000 0 0 0 0 0 0 0 0 0 TIMING: 688000 CPU: 2720.56, 0.0039493/step Wall: 2720.56, 0.0039493/step, 1.98781 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 688000 680.1911 1833.9548 2015.6712 115.7037 1.4652 -1073.8636 0.0000 0.0000 2761.7382 6334.8607 305.0417 3573.1224 6371.0540 306.2043 PRESSURE: 688200 0 0 0 0 0 0 0 0 0 GPRESSURE: 688200 0 0 0 0 0 0 0 0 0 PRESSAVG: 688200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 688200 0 0 0 0 0 0 0 0 0 TIMING: 688200 CPU: 2721.35, 0.00395258/step Wall: 2721.35, 0.00395258/step, 1.98925 hours remaining, 112.339844 MB of memory in use. ENERGY: 688200 688.4937 1864.6093 2008.9121 99.9160 3.6234 -1091.8715 0.0000 0.0000 2767.3808 6341.0639 305.6649 3573.6831 6375.5539 303.1988 LDB: ============= START OF LOAD BALANCING ============== 2724.31 LDB: ============== END OF LOAD BALANCING =============== 2724.31 LDB: =============== DONE WITH MIGRATION ================ 2724.31 LDB: ============= START OF LOAD BALANCING ============== 2724.71 LDB: ============== END OF LOAD BALANCING =============== 2724.71 LDB: =============== DONE WITH MIGRATION ================ 2724.71 PRESSURE: 688400 0 0 0 0 0 0 0 0 0 GPRESSURE: 688400 0 0 0 0 0 0 0 0 0 PRESSAVG: 688400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 688400 0 0 0 0 0 0 0 0 0 TIMING: 688400 CPU: 2722.14, 0.00395407/step Wall: 2722.14, 0.00395407/step, 1.98977 hours remaining, 112.339844 MB of memory in use. ENERGY: 688400 631.2584 1821.0382 1997.2022 115.2014 2.9022 -1068.7934 0.0000 0.0000 2749.5745 6248.3834 303.6982 3498.8090 6282.9415 301.7632 PRESSURE: 688600 0 0 0 0 0 0 0 0 0 GPRESSURE: 688600 0 0 0 0 0 0 0 0 0 PRESSAVG: 688600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 688600 0 0 0 0 0 0 0 0 0 TIMING: 688600 CPU: 2722.93, 0.00394323/step Wall: 2722.93, 0.00394323/step, 1.9841 hours remaining, 112.339844 MB of memory in use. ENERGY: 688600 670.0169 1810.5744 1987.1533 109.9802 1.8779 -1034.9099 0.0000 0.0000 2702.5472 6247.2399 298.5039 3544.6927 6277.3349 299.1318 PRESSURE: 688800 0 0 0 0 0 0 0 0 0 GPRESSURE: 688800 0 0 0 0 0 0 0 0 0 PRESSAVG: 688800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 688800 0 0 0 0 0 0 0 0 0 TIMING: 688800 CPU: 2723.72, 0.00394966/step Wall: 2723.72, 0.00394966/step, 1.98712 hours remaining, 112.339844 MB of memory in use. ENERGY: 688800 675.4647 1842.3882 1987.6192 103.8506 1.2986 -1083.9499 0.0000 0.0000 2714.0257 6240.6972 299.7717 3526.6715 6271.1812 299.6824 PRESSURE: 689000 0 0 0 0 0 0 0 0 0 GPRESSURE: 689000 0 0 0 0 0 0 0 0 0 PRESSAVG: 689000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 689000 0 0 0 0 0 0 0 0 0 TIMING: 689000 CPU: 2724.51, 0.00394883/step Wall: 2724.51, 0.00394883/step, 1.98648 hours remaining, 112.339844 MB of memory in use. ENERGY: 689000 653.9977 1837.6660 2014.5799 100.4330 0.8015 -1046.5269 0.0000 0.0000 2693.5992 6254.5503 297.5155 3560.9512 6287.5825 298.1854 PRESSURE: 689200 0 0 0 0 0 0 0 0 0 GPRESSURE: 689200 0 0 0 0 0 0 0 0 0 PRESSAVG: 689200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 689200 0 0 0 0 0 0 0 0 0 TIMING: 689200 CPU: 2725.3, 0.00394986/step Wall: 2725.3, 0.00394986/step, 1.98678 hours remaining, 112.339844 MB of memory in use. ENERGY: 689200 628.6946 1802.7399 2010.8386 109.7160 1.6621 -1054.1634 0.0000 0.0000 2726.8050 6226.2929 301.1832 3499.4879 6259.0508 299.0309 PRESSURE: 689400 0 0 0 0 0 0 0 0 0 GPRESSURE: 689400 0 0 0 0 0 0 0 0 0 PRESSAVG: 689400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 689400 0 0 0 0 0 0 0 0 0 TIMING: 689400 CPU: 2726.09, 0.00394766/step Wall: 2726.09, 0.00394766/step, 1.98545 hours remaining, 112.339844 MB of memory in use. ENERGY: 689400 678.8950 1821.1293 2001.4632 119.0234 2.3517 -1086.0806 0.0000 0.0000 2717.0260 6253.8080 300.1031 3536.7820 6283.9132 300.5462 PRESSURE: 689600 0 0 0 0 0 0 0 0 0 GPRESSURE: 689600 0 0 0 0 0 0 0 0 0 PRESSAVG: 689600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 689600 0 0 0 0 0 0 0 0 0 TIMING: 689600 CPU: 2726.88, 0.00394172/step Wall: 2726.88, 0.00394172/step, 1.98225 hours remaining, 112.339844 MB of memory in use. ENERGY: 689600 653.6058 1789.1337 2031.2668 115.2831 2.1507 -1078.7503 0.0000 0.0000 2767.4752 6280.1651 305.6753 3512.6899 6315.6220 300.3818 PRESSURE: 689800 0 0 0 0 0 0 0 0 0 GPRESSURE: 689800 0 0 0 0 0 0 0 0 0 PRESSAVG: 689800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 689800 0 0 0 0 0 0 0 0 0 TIMING: 689800 CPU: 2727.67, 0.0039477/step Wall: 2727.67, 0.0039477/step, 1.98503 hours remaining, 112.339844 MB of memory in use. ENERGY: 689800 635.2825 1887.9848 2003.6059 100.1960 2.6198 -1077.1008 0.0000 0.0000 2740.6392 6293.2274 302.7112 3552.5881 6326.6817 301.6266 PRESSURE: 690000 0 0 0 0 0 0 0 0 0 GPRESSURE: 690000 0 0 0 0 0 0 0 0 0 PRESSAVG: 690000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 690000 0 0 0 0 0 0 0 0 0 TIMING: 690000 CPU: 2728.46, 0.00394736/step Wall: 2728.46, 0.00394736/step, 1.98465 hours remaining, 112.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 690000 640.7271 1848.0386 1991.1288 105.1862 1.7085 -1065.1849 0.0000 0.0000 2764.9001 6286.5044 305.3909 3521.6043 6320.9601 300.8067 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 690000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 690000 WRITING COORDINATES TO RESTART FILE AT STEP 690000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 690000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 690200 0 0 0 0 0 0 0 0 0 GPRESSURE: 690200 0 0 0 0 0 0 0 0 0 PRESSAVG: 690200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 690200 0 0 0 0 0 0 0 0 0 TIMING: 690200 CPU: 2729.28, 0.00412087/step Wall: 2729.28, 0.00412087/step, 2.07166 hours remaining, 112.339844 MB of memory in use. ENERGY: 690200 670.6289 1849.1032 1985.1355 104.7386 1.3712 -1049.2231 0.0000 0.0000 2712.9570 6274.7114 299.6537 3561.7544 6307.9296 301.2505 PRESSURE: 690400 0 0 0 0 0 0 0 0 0 GPRESSURE: 690400 0 0 0 0 0 0 0 0 0 PRESSAVG: 690400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 690400 0 0 0 0 0 0 0 0 0 TIMING: 690400 CPU: 2730.07, 0.00395015/step Wall: 2730.07, 0.00395015/step, 1.98561 hours remaining, 112.339844 MB of memory in use. ENERGY: 690400 645.8792 1852.4815 1979.9260 103.8516 1.6459 -1035.3557 0.0000 0.0000 2715.8546 6264.2832 299.9737 3548.4286 6298.6750 301.6959 PRESSURE: 690600 0 0 0 0 0 0 0 0 0 GPRESSURE: 690600 0 0 0 0 0 0 0 0 0 PRESSAVG: 690600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 690600 0 0 0 0 0 0 0 0 0 TIMING: 690600 CPU: 2730.86, 0.00394343/step Wall: 2730.86, 0.00394343/step, 1.98201 hours remaining, 112.339844 MB of memory in use. ENERGY: 690600 673.5921 1873.2801 2008.2931 127.4379 1.5803 -1077.7519 0.0000 0.0000 2670.5257 6276.9573 294.9670 3606.4316 6310.8156 299.6694 PRESSURE: 690800 0 0 0 0 0 0 0 0 0 GPRESSURE: 690800 0 0 0 0 0 0 0 0 0 PRESSAVG: 690800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 690800 0 0 0 0 0 0 0 0 0 TIMING: 690800 CPU: 2731.65, 0.00395164/step Wall: 2731.65, 0.00395164/step, 1.98592 hours remaining, 112.339844 MB of memory in use. ENERGY: 690800 678.5552 1811.4771 1999.0376 97.3605 2.4961 -1051.6493 0.0000 0.0000 2705.4368 6242.7139 298.8230 3537.2772 6274.4403 299.8755 PRESSURE: 691000 0 0 0 0 0 0 0 0 0 GPRESSURE: 691000 0 0 0 0 0 0 0 0 0 PRESSAVG: 691000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 691000 0 0 0 0 0 0 0 0 0 TIMING: 691000 CPU: 2732.44, 0.00395182/step Wall: 2732.44, 0.00395182/step, 1.98579 hours remaining, 112.343750 MB of memory in use. ENERGY: 691000 669.7575 1791.8815 2029.0374 124.5397 2.2726 -1053.2408 0.0000 0.0000 2723.0874 6287.3353 300.7726 3564.2479 6319.8525 299.5206 PRESSURE: 691200 0 0 0 0 0 0 0 0 0 GPRESSURE: 691200 0 0 0 0 0 0 0 0 0 PRESSAVG: 691200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 691200 0 0 0 0 0 0 0 0 0 TIMING: 691200 CPU: 2733.23, 0.00395011/step Wall: 2733.23, 0.00395011/step, 1.98471 hours remaining, 112.343750 MB of memory in use. ENERGY: 691200 627.9750 1822.9748 1994.8651 112.2734 2.3156 -1049.8889 0.0000 0.0000 2742.0062 6252.5211 302.8622 3510.5149 6285.7679 299.6454 PRESSURE: 691400 0 0 0 0 0 0 0 0 0 GPRESSURE: 691400 0 0 0 0 0 0 0 0 0 PRESSAVG: 691400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 691400 0 0 0 0 0 0 0 0 0 TIMING: 691400 CPU: 2734.02, 0.00394408/step Wall: 2734.02, 0.00394408/step, 1.98146 hours remaining, 112.343750 MB of memory in use. ENERGY: 691400 648.6897 1862.4772 1982.0891 113.0986 1.2990 -1067.2312 0.0000 0.0000 2744.0056 6284.4280 303.0831 3540.4224 6317.8705 301.5026 PRESSURE: 691600 0 0 0 0 0 0 0 0 0 GPRESSURE: 691600 0 0 0 0 0 0 0 0 0 PRESSAVG: 691600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 691600 0 0 0 0 0 0 0 0 0 TIMING: 691600 CPU: 2734.81, 0.00395108/step Wall: 2734.81, 0.00395107/step, 1.98475 hours remaining, 112.343750 MB of memory in use. ENERGY: 691600 658.4158 1806.7382 2004.1366 115.6043 1.3064 -1051.7269 0.0000 0.0000 2741.5559 6276.0302 302.8125 3534.4744 6309.4696 302.7167 PRESSURE: 691800 0 0 0 0 0 0 0 0 0 GPRESSURE: 691800 0 0 0 0 0 0 0 0 0 PRESSAVG: 691800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 691800 0 0 0 0 0 0 0 0 0 TIMING: 691800 CPU: 2735.6, 0.00395112/step Wall: 2735.6, 0.00395113/step, 1.98456 hours remaining, 112.343750 MB of memory in use. ENERGY: 691800 622.9744 1806.7628 1999.3171 119.8795 0.3691 -1047.7024 0.0000 0.0000 2764.1343 6265.7348 305.3063 3501.6005 6301.0579 299.9779 PRESSURE: 692000 0 0 0 0 0 0 0 0 0 GPRESSURE: 692000 0 0 0 0 0 0 0 0 0 PRESSAVG: 692000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 692000 0 0 0 0 0 0 0 0 0 TIMING: 692000 CPU: 2736.39, 0.00395066/step Wall: 2736.39, 0.00395066/step, 1.98411 hours remaining, 112.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 692000 643.7029 1811.4988 2009.2698 101.1360 1.2789 -1038.9707 0.0000 0.0000 2715.5409 6243.4566 299.9391 3527.9157 6276.7155 299.6919 PRESSURE: 692200 0 0 0 0 0 0 0 0 0 GPRESSURE: 692200 0 0 0 0 0 0 0 0 0 PRESSAVG: 692200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 692200 0 0 0 0 0 0 0 0 0 TIMING: 692200 CPU: 2737.18, 0.0039518/step Wall: 2737.18, 0.0039518/step, 1.98446 hours remaining, 112.343750 MB of memory in use. ENERGY: 692200 655.7151 1845.8616 2007.2224 95.7000 1.1303 -1079.1900 0.0000 0.0000 2732.3790 6258.8184 301.7989 3526.4394 6288.8805 300.4932 LDB: ============= START OF LOAD BALANCING ============== 2740.14 LDB: ============== END OF LOAD BALANCING =============== 2740.14 LDB: =============== DONE WITH MIGRATION ================ 2740.14 LDB: ============= START OF LOAD BALANCING ============== 2740.53 LDB: ============== END OF LOAD BALANCING =============== 2740.53 LDB: =============== DONE WITH MIGRATION ================ 2740.53 PRESSURE: 692400 0 0 0 0 0 0 0 0 0 GPRESSURE: 692400 0 0 0 0 0 0 0 0 0 PRESSAVG: 692400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 692400 0 0 0 0 0 0 0 0 0 TIMING: 692400 CPU: 2737.97, 0.00395046/step Wall: 2737.97, 0.00395046/step, 1.98357 hours remaining, 112.343750 MB of memory in use. ENERGY: 692400 668.3913 1874.5779 2008.8587 99.1780 3.4903 -1109.5523 0.0000 0.0000 2746.2996 6291.2436 303.3364 3544.9440 6323.6111 300.7238 PRESSURE: 692600 0 0 0 0 0 0 0 0 0 GPRESSURE: 692600 0 0 0 0 0 0 0 0 0 PRESSAVG: 692600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 692600 0 0 0 0 0 0 0 0 0 TIMING: 692600 CPU: 2738.76, 0.003959/step Wall: 2738.76, 0.003959/step, 1.98764 hours remaining, 112.343750 MB of memory in use. ENERGY: 692600 658.4408 1869.2654 1995.2113 103.7763 2.1869 -1085.5824 0.0000 0.0000 2727.6155 6270.9138 301.2727 3543.2983 6305.3468 301.1954 PRESSURE: 692800 0 0 0 0 0 0 0 0 0 GPRESSURE: 692800 0 0 0 0 0 0 0 0 0 PRESSAVG: 692800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 692800 0 0 0 0 0 0 0 0 0 TIMING: 692800 CPU: 2739.55, 0.00394819/step Wall: 2739.55, 0.0039482/step, 1.982 hours remaining, 112.343750 MB of memory in use. ENERGY: 692800 670.8099 1846.8679 1998.5579 102.9183 2.7844 -1062.5992 0.0000 0.0000 2653.0706 6212.4098 293.0390 3559.3392 6245.1750 298.8980 PRESSURE: 693000 0 0 0 0 0 0 0 0 0 GPRESSURE: 693000 0 0 0 0 0 0 0 0 0 PRESSAVG: 693000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 693000 0 0 0 0 0 0 0 0 0 TIMING: 693000 CPU: 2740.34, 0.00394878/step Wall: 2740.34, 0.00394878/step, 1.98207 hours remaining, 112.343750 MB of memory in use. ENERGY: 693000 644.0383 1884.8621 2004.6737 107.9013 1.5297 -1099.4370 0.0000 0.0000 2719.1356 6262.7035 300.3361 3543.5680 6295.0918 298.9443 PRESSURE: 693200 0 0 0 0 0 0 0 0 0 GPRESSURE: 693200 0 0 0 0 0 0 0 0 0 PRESSAVG: 693200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 693200 0 0 0 0 0 0 0 0 0 TIMING: 693200 CPU: 2741.13, 0.00394849/step Wall: 2741.13, 0.00394849/step, 1.9817 hours remaining, 112.343750 MB of memory in use. ENERGY: 693200 670.9443 1877.3682 1970.3480 104.4153 0.9508 -1077.5760 0.0000 0.0000 2710.4450 6256.8955 299.3762 3546.4505 6288.4752 300.6636 PRESSURE: 693400 0 0 0 0 0 0 0 0 0 GPRESSURE: 693400 0 0 0 0 0 0 0 0 0 PRESSAVG: 693400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 693400 0 0 0 0 0 0 0 0 0 TIMING: 693400 CPU: 2741.92, 0.00395519/step Wall: 2741.92, 0.00395519/step, 1.98485 hours remaining, 112.343750 MB of memory in use. ENERGY: 693400 661.0244 1800.0926 1968.5157 92.7314 1.9015 -1049.0908 0.0000 0.0000 2711.9762 6187.1511 299.5453 3475.1749 6221.4417 300.5055 PRESSURE: 693600 0 0 0 0 0 0 0 0 0 GPRESSURE: 693600 0 0 0 0 0 0 0 0 0 PRESSAVG: 693600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 693600 0 0 0 0 0 0 0 0 0 TIMING: 693600 CPU: 2742.71, 0.00395391/step Wall: 2742.71, 0.00395391/step, 1.98398 hours remaining, 112.343750 MB of memory in use. ENERGY: 693600 689.7964 1763.5040 1995.3811 99.0529 2.1695 -1041.4589 0.0000 0.0000 2673.6499 6182.0950 295.3121 3508.4451 6213.3749 295.9714 PRESSURE: 693800 0 0 0 0 0 0 0 0 0 GPRESSURE: 693800 0 0 0 0 0 0 0 0 0 PRESSAVG: 693800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 693800 0 0 0 0 0 0 0 0 0 TIMING: 693800 CPU: 2743.5, 0.00395015/step Wall: 2743.5, 0.00395015/step, 1.98188 hours remaining, 112.343750 MB of memory in use. ENERGY: 693800 636.7336 1829.9276 1975.7007 112.9248 3.6276 -1056.3429 0.0000 0.0000 2681.7179 6184.2892 296.2032 3502.5713 6213.5781 296.7964 PRESSURE: 694000 0 0 0 0 0 0 0 0 0 GPRESSURE: 694000 0 0 0 0 0 0 0 0 0 PRESSAVG: 694000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 694000 0 0 0 0 0 0 0 0 0 TIMING: 694000 CPU: 2744.29, 0.00394773/step Wall: 2744.29, 0.00394773/step, 1.98044 hours remaining, 112.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 694000 690.8824 1821.7130 1994.7255 103.2529 2.9553 -1090.6357 0.0000 0.0000 2638.4896 6161.3829 291.4285 3522.8933 6192.3153 295.3612 PRESSURE: 694200 0 0 0 0 0 0 0 0 0 GPRESSURE: 694200 0 0 0 0 0 0 0 0 0 PRESSAVG: 694200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 694200 0 0 0 0 0 0 0 0 0 TIMING: 694200 CPU: 2745.08, 0.00394915/step Wall: 2745.08, 0.00394915/step, 1.98094 hours remaining, 112.343750 MB of memory in use. ENERGY: 694200 656.1409 1837.0288 1976.9628 107.5048 1.9892 -1071.9003 0.0000 0.0000 2690.5714 6198.2977 297.1811 3507.7263 6232.7562 296.7741 PRESSURE: 694400 0 0 0 0 0 0 0 0 0 GPRESSURE: 694400 0 0 0 0 0 0 0 0 0 PRESSAVG: 694400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 694400 0 0 0 0 0 0 0 0 0 TIMING: 694400 CPU: 2745.87, 0.00394378/step Wall: 2745.87, 0.00394378/step, 1.97803 hours remaining, 112.343750 MB of memory in use. ENERGY: 694400 670.8745 1793.1188 2016.2547 119.6821 1.3132 -1090.0037 0.0000 0.0000 2687.1699 6198.4094 296.8054 3511.2395 6228.7035 296.8374 PRESSURE: 694600 0 0 0 0 0 0 0 0 0 GPRESSURE: 694600 0 0 0 0 0 0 0 0 0 PRESSAVG: 694600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 694600 0 0 0 0 0 0 0 0 0 TIMING: 694600 CPU: 2746.66, 0.00394903/step Wall: 2746.66, 0.00394903/step, 1.98044 hours remaining, 112.343750 MB of memory in use. ENERGY: 694600 633.9727 1859.0934 2002.3016 108.9541 1.8543 -1086.2976 0.0000 0.0000 2730.8147 6250.6933 301.6261 3519.8786 6284.2844 297.7536 PRESSURE: 694800 0 0 0 0 0 0 0 0 0 GPRESSURE: 694800 0 0 0 0 0 0 0 0 0 PRESSAVG: 694800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 694800 0 0 0 0 0 0 0 0 0 TIMING: 694800 CPU: 2747.45, 0.00395046/step Wall: 2747.45, 0.00395046/step, 1.98094 hours remaining, 112.343750 MB of memory in use. ENERGY: 694800 655.6000 1905.1128 1994.2419 102.9399 0.3565 -1077.1779 0.0000 0.0000 2738.4419 6319.5151 302.4685 3581.0732 6351.5635 303.8747 PRESSURE: 695000 0 0 0 0 0 0 0 0 0 GPRESSURE: 695000 0 0 0 0 0 0 0 0 0 PRESSAVG: 695000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 695000 0 0 0 0 0 0 0 0 0 TIMING: 695000 CPU: 2748.24, 0.00395028/step Wall: 2748.24, 0.00395028/step, 1.98063 hours remaining, 112.343750 MB of memory in use. ENERGY: 695000 639.6138 1866.1842 1985.8152 121.9934 1.4672 -1082.6937 0.0000 0.0000 2772.3744 6304.7544 306.2165 3532.3800 6341.2457 303.3030 PRESSURE: 695200 0 0 0 0 0 0 0 0 0 GPRESSURE: 695200 0 0 0 0 0 0 0 0 0 PRESSAVG: 695200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 695200 0 0 0 0 0 0 0 0 0 TIMING: 695200 CPU: 2749.03, 0.00394508/step Wall: 2749.03, 0.00394508/step, 1.9778 hours remaining, 112.343750 MB of memory in use. ENERGY: 695200 663.0552 1818.4425 2006.4364 104.1389 1.2748 -1077.9474 0.0000 0.0000 2735.9553 6251.3558 302.1939 3515.4005 6285.1385 301.3189 PRESSURE: 695400 0 0 0 0 0 0 0 0 0 GPRESSURE: 695400 0 0 0 0 0 0 0 0 0 PRESSAVG: 695400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 695400 0 0 0 0 0 0 0 0 0 TIMING: 695400 CPU: 2749.82, 0.00394953/step Wall: 2749.82, 0.00394953/step, 1.97981 hours remaining, 112.343750 MB of memory in use. ENERGY: 695400 655.7629 1822.1434 1998.7664 87.5833 2.4405 -1092.7451 0.0000 0.0000 2752.3696 6226.3209 304.0069 3473.9514 6260.6730 299.4170 PRESSURE: 695600 0 0 0 0 0 0 0 0 0 GPRESSURE: 695600 0 0 0 0 0 0 0 0 0 PRESSAVG: 695600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 695600 0 0 0 0 0 0 0 0 0 TIMING: 695600 CPU: 2750.61, 0.00394879/step Wall: 2750.61, 0.00394879/step, 1.97922 hours remaining, 112.343750 MB of memory in use. ENERGY: 695600 664.3808 1932.3305 1970.8560 92.5394 2.0007 -1088.9565 0.0000 0.0000 2719.3784 6292.5293 300.3629 3573.1508 6324.6034 302.5337 PRESSURE: 695800 0 0 0 0 0 0 0 0 0 GPRESSURE: 695800 0 0 0 0 0 0 0 0 0 PRESSAVG: 695800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 695800 0 0 0 0 0 0 0 0 0 TIMING: 695800 CPU: 2751.4, 0.00395121/step Wall: 2751.4, 0.00395121/step, 1.98022 hours remaining, 112.343750 MB of memory in use. ENERGY: 695800 654.9304 1838.2916 1990.2620 117.0734 1.8904 -1069.6235 0.0000 0.0000 2707.7734 6240.5977 299.0811 3532.8243 6273.6670 303.0901 PRESSURE: 696000 0 0 0 0 0 0 0 0 0 GPRESSURE: 696000 0 0 0 0 0 0 0 0 0 PRESSAVG: 696000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 696000 0 0 0 0 0 0 0 0 0 TIMING: 696000 CPU: 2752.19, 0.00394909/step Wall: 2752.19, 0.00394909/step, 1.97893 hours remaining, 112.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 696000 658.5259 1813.6539 2031.0033 119.3246 2.0942 -1054.7547 0.0000 0.0000 2676.1423 6245.9895 295.5874 3569.8472 6278.6003 299.8852 PRESSURE: 696200 0 0 0 0 0 0 0 0 0 GPRESSURE: 696200 0 0 0 0 0 0 0 0 0 PRESSAVG: 696200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 696200 0 0 0 0 0 0 0 0 0 TIMING: 696200 CPU: 2752.98, 0.00394346/step Wall: 2752.98, 0.00394346/step, 1.97589 hours remaining, 112.343750 MB of memory in use. ENERGY: 696200 645.1582 1809.2114 1986.6477 105.0721 2.2171 -1067.3553 0.0000 0.0000 2759.8260 6240.7772 304.8305 3480.9512 6274.9401 299.7459 LDB: ============= START OF LOAD BALANCING ============== 2755.94 LDB: ============== END OF LOAD BALANCING =============== 2755.94 LDB: =============== DONE WITH MIGRATION ================ 2755.94 LDB: ============= START OF LOAD BALANCING ============== 2756.33 LDB: ============== END OF LOAD BALANCING =============== 2756.33 LDB: =============== DONE WITH MIGRATION ================ 2756.33 PRESSURE: 696400 0 0 0 0 0 0 0 0 0 GPRESSURE: 696400 0 0 0 0 0 0 0 0 0 PRESSAVG: 696400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 696400 0 0 0 0 0 0 0 0 0 TIMING: 696400 CPU: 2753.77, 0.00395285/step Wall: 2753.77, 0.00395285/step, 1.98038 hours remaining, 112.343750 MB of memory in use. ENERGY: 696400 650.3618 1812.6623 2025.4320 106.0815 3.2002 -1067.6424 0.0000 0.0000 2719.0060 6249.1013 300.3218 3530.0953 6283.9251 299.1919 PRESSURE: 696600 0 0 0 0 0 0 0 0 0 GPRESSURE: 696600 0 0 0 0 0 0 0 0 0 PRESSAVG: 696600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 696600 0 0 0 0 0 0 0 0 0 TIMING: 696600 CPU: 2754.56, 0.00394805/step Wall: 2754.56, 0.00394805/step, 1.97775 hours remaining, 112.343750 MB of memory in use. ENERGY: 696600 682.1966 1813.9066 1985.6187 109.9267 1.2792 -1067.8090 0.0000 0.0000 2722.9691 6248.0878 300.7595 3525.1188 6282.4655 300.4008 PRESSURE: 696800 0 0 0 0 0 0 0 0 0 GPRESSURE: 696800 0 0 0 0 0 0 0 0 0 PRESSAVG: 696800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 696800 0 0 0 0 0 0 0 0 0 TIMING: 696800 CPU: 2755.35, 0.0039493/step Wall: 2755.35, 0.0039493/step, 1.97816 hours remaining, 112.343750 MB of memory in use. ENERGY: 696800 625.6911 1818.3498 2011.8967 91.1995 1.1569 -1045.3870 0.0000 0.0000 2779.6138 6282.5207 307.0161 3502.9069 6319.2169 298.5664 PRESSURE: 697000 0 0 0 0 0 0 0 0 0 GPRESSURE: 697000 0 0 0 0 0 0 0 0 0 PRESSAVG: 697000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 697000 0 0 0 0 0 0 0 0 0 TIMING: 697000 CPU: 2756.14, 0.00394988/step Wall: 2756.14, 0.00394988/step, 1.97823 hours remaining, 112.343750 MB of memory in use. ENERGY: 697000 628.1176 1822.2164 2009.6272 99.5847 3.0278 -1020.4798 0.0000 0.0000 2750.7484 6292.8422 303.8278 3542.0939 6327.9636 302.0965 PRESSURE: 697200 0 0 0 0 0 0 0 0 0 GPRESSURE: 697200 0 0 0 0 0 0 0 0 0 PRESSAVG: 697200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 697200 0 0 0 0 0 0 0 0 0 TIMING: 697200 CPU: 2756.93, 0.00394318/step Wall: 2756.93, 0.00394318/step, 1.97466 hours remaining, 112.343750 MB of memory in use. ENERGY: 697200 634.8596 1821.2209 2014.3114 103.5402 2.2436 -1057.5445 0.0000 0.0000 2729.0695 6247.7007 301.4333 3518.6312 6282.0218 300.2496 PRESSURE: 697400 0 0 0 0 0 0 0 0 0 GPRESSURE: 697400 0 0 0 0 0 0 0 0 0 PRESSAVG: 697400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 697400 0 0 0 0 0 0 0 0 0 TIMING: 697400 CPU: 2757.72, 0.00394951/step Wall: 2757.72, 0.00394951/step, 1.9776 hours remaining, 112.343750 MB of memory in use. ENERGY: 697400 670.2926 1873.6578 2004.0887 104.0333 1.2550 -1083.0698 0.0000 0.0000 2720.0557 6290.3132 300.4377 3570.2575 6321.2892 300.1717 PRESSURE: 697600 0 0 0 0 0 0 0 0 0 GPRESSURE: 697600 0 0 0 0 0 0 0 0 0 PRESSAVG: 697600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 697600 0 0 0 0 0 0 0 0 0 TIMING: 697600 CPU: 2758.51, 0.00394917/step Wall: 2758.51, 0.00394917/step, 1.97722 hours remaining, 112.343750 MB of memory in use. ENERGY: 697600 665.3539 1819.7182 1985.3417 103.6898 2.0429 -1074.4664 0.0000 0.0000 2761.3519 6263.0319 304.9990 3501.6800 6298.5298 301.9117 PRESSURE: 697800 0 0 0 0 0 0 0 0 0 GPRESSURE: 697800 0 0 0 0 0 0 0 0 0 PRESSAVG: 697800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 697800 0 0 0 0 0 0 0 0 0 TIMING: 697800 CPU: 2759.3, 0.0039511/step Wall: 2759.3, 0.00395109/step, 1.97796 hours remaining, 112.343750 MB of memory in use. ENERGY: 697800 673.9296 1850.8513 1983.8848 116.7273 1.9250 -1063.9797 0.0000 0.0000 2703.0803 6266.4186 298.5628 3563.3383 6299.3341 300.1460 PRESSURE: 698000 0 0 0 0 0 0 0 0 0 GPRESSURE: 698000 0 0 0 0 0 0 0 0 0 PRESSAVG: 698000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 698000 0 0 0 0 0 0 0 0 0 TIMING: 698000 CPU: 2760.09, 0.00395147/step Wall: 2760.09, 0.00395148/step, 1.97793 hours remaining, 112.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 698000 656.6664 1839.4165 1997.5237 102.4707 1.8617 -1027.0596 0.0000 0.0000 2723.9351 6294.8145 300.8662 3570.8794 6327.1786 300.2792 PRESSURE: 698200 0 0 0 0 0 0 0 0 0 GPRESSURE: 698200 0 0 0 0 0 0 0 0 0 PRESSAVG: 698200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 698200 0 0 0 0 0 0 0 0 0 TIMING: 698200 CPU: 2760.88, 0.00394445/step Wall: 2760.88, 0.00394445/step, 1.9742 hours remaining, 112.343750 MB of memory in use. ENERGY: 698200 655.7183 1816.7757 1999.0463 106.1292 2.3362 -1060.1966 0.0000 0.0000 2724.4197 6244.2288 300.9198 3519.8091 6279.9354 301.7605 PRESSURE: 698400 0 0 0 0 0 0 0 0 0 GPRESSURE: 698400 0 0 0 0 0 0 0 0 0 PRESSAVG: 698400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 698400 0 0 0 0 0 0 0 0 0 TIMING: 698400 CPU: 2761.67, 0.00395085/step Wall: 2761.67, 0.00395085/step, 1.97718 hours remaining, 112.343750 MB of memory in use. ENERGY: 698400 649.6704 1827.4292 2008.6055 116.7266 1.2101 -1096.4869 0.0000 0.0000 2711.2482 6218.4032 299.4649 3507.1550 6251.8843 299.5070 PRESSURE: 698600 0 0 0 0 0 0 0 0 0 GPRESSURE: 698600 0 0 0 0 0 0 0 0 0 PRESSAVG: 698600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 698600 0 0 0 0 0 0 0 0 0 TIMING: 698600 CPU: 2762.46, 0.0039503/step Wall: 2762.46, 0.0039503/step, 1.97669 hours remaining, 112.343750 MB of memory in use. ENERGY: 698600 664.3575 1794.8984 1998.5698 107.9598 0.2055 -1061.2422 0.0000 0.0000 2751.4370 6256.1858 303.9039 3504.7488 6288.6874 300.8844 PRESSURE: 698800 0 0 0 0 0 0 0 0 0 GPRESSURE: 698800 0 0 0 0 0 0 0 0 0 PRESSAVG: 698800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 698800 0 0 0 0 0 0 0 0 0 TIMING: 698800 CPU: 2763.25, 0.00394957/step Wall: 2763.25, 0.00394957/step, 1.9761 hours remaining, 112.343750 MB of memory in use. ENERGY: 698800 654.8966 1907.5982 2004.0820 99.8382 0.7470 -1097.5893 0.0000 0.0000 2681.5626 6251.1352 296.1861 3569.5727 6283.0908 299.5771 PRESSURE: 699000 0 0 0 0 0 0 0 0 0 GPRESSURE: 699000 0 0 0 0 0 0 0 0 0 PRESSAVG: 699000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 699000 0 0 0 0 0 0 0 0 0 TIMING: 699000 CPU: 2764.04, 0.00394265/step Wall: 2764.04, 0.00394265/step, 1.97242 hours remaining, 112.343750 MB of memory in use. ENERGY: 699000 657.9132 1893.8772 2014.1764 104.2193 0.0847 -1053.7066 0.0000 0.0000 2657.5086 6274.0728 293.5292 3616.5642 6305.2066 300.3589 PRESSURE: 699200 0 0 0 0 0 0 0 0 0 GPRESSURE: 699200 0 0 0 0 0 0 0 0 0 PRESSAVG: 699200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 699200 0 0 0 0 0 0 0 0 0 TIMING: 699200 CPU: 2764.82, 0.00394757/step Wall: 2764.82, 0.00394757/step, 1.97466 hours remaining, 112.343750 MB of memory in use. ENERGY: 699200 646.5805 1835.8179 2004.3034 106.7649 0.2283 -1068.6966 0.0000 0.0000 2726.6809 6251.6793 301.1695 3524.9984 6286.2739 301.0873 PRESSURE: 699400 0 0 0 0 0 0 0 0 0 GPRESSURE: 699400 0 0 0 0 0 0 0 0 0 PRESSAVG: 699400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 699400 0 0 0 0 0 0 0 0 0 TIMING: 699400 CPU: 2765.61, 0.00394915/step Wall: 2765.61, 0.00394915/step, 1.97523 hours remaining, 112.343750 MB of memory in use. ENERGY: 699400 630.2102 1810.1052 1993.3975 110.1208 -0.7851 -1050.4901 0.0000 0.0000 2725.8018 6218.3602 301.0724 3492.5585 6251.1444 299.9747 PRESSURE: 699600 0 0 0 0 0 0 0 0 0 GPRESSURE: 699600 0 0 0 0 0 0 0 0 0 PRESSAVG: 699600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 699600 0 0 0 0 0 0 0 0 0 TIMING: 699600 CPU: 2766.4, 0.00394897/step Wall: 2766.4, 0.00394897/step, 1.97493 hours remaining, 112.343750 MB of memory in use. ENERGY: 699600 627.8191 1868.2326 1980.2387 106.8908 1.9462 -1095.8510 0.0000 0.0000 2696.3268 6185.6032 297.8168 3489.2764 6218.1508 297.1851 PRESSURE: 699800 0 0 0 0 0 0 0 0 0 GPRESSURE: 699800 0 0 0 0 0 0 0 0 0 PRESSAVG: 699800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 699800 0 0 0 0 0 0 0 0 0 TIMING: 699800 CPU: 2767.19, 0.00395044/step Wall: 2767.19, 0.00395044/step, 1.97544 hours remaining, 112.343750 MB of memory in use. ENERGY: 699800 618.1582 1822.5851 2017.4069 107.2411 1.5068 -1088.1737 0.0000 0.0000 2657.7148 6136.4392 293.5520 3478.7244 6169.7201 295.5255 PRESSURE: 700000 0 0 0 0 0 0 0 0 0 GPRESSURE: 700000 0 0 0 0 0 0 0 0 0 PRESSAVG: 700000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 700000 0 0 0 0 0 0 0 0 0 TIMING: 700000 CPU: 2767.98, 0.00394414/step Wall: 2767.98, 0.00394414/step, 1.97207 hours remaining, 112.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 700000 662.5696 1847.5297 1999.3897 105.6719 2.4802 -1085.7936 0.0000 0.0000 2668.4128 6200.2603 294.7336 3531.8475 6231.9427 295.6348 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700200 0 0 0 0 0 0 0 0 0 GPRESSURE: 700200 0 0 0 0 0 0 0 0 0 PRESSAVG: 700200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 700200 0 0 0 0 0 0 0 0 0 TIMING: 700200 CPU: 2768.85, 0.0043568/step Wall: 2768.85, 0.0043568/step, 2.17816 hours remaining, 112.468750 MB of memory in use. ENERGY: 700200 645.4790 1797.1726 1993.2848 107.5997 1.7325 -1066.2025 0.0000 0.0000 2725.1051 6204.1712 300.9955 3479.0660 6239.0564 296.7712 LDB: ============= START OF LOAD BALANCING ============== 2771.81 LDB: ============== END OF LOAD BALANCING =============== 2771.81 LDB: =============== DONE WITH MIGRATION ================ 2771.81 LDB: ============= START OF LOAD BALANCING ============== 2772.21 LDB: ============== END OF LOAD BALANCING =============== 2772.21 LDB: =============== DONE WITH MIGRATION ================ 2772.21 PRESSURE: 700400 0 0 0 0 0 0 0 0 0 GPRESSURE: 700400 0 0 0 0 0 0 0 0 0 PRESSAVG: 700400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 700400 0 0 0 0 0 0 0 0 0 TIMING: 700400 CPU: 2769.64, 0.00395181/step Wall: 2769.64, 0.00395181/step, 1.97547 hours remaining, 112.468750 MB of memory in use. ENERGY: 700400 666.6670 1777.9419 1979.5467 115.2583 2.1167 -1072.3175 0.0000 0.0000 2710.9833 6180.1965 299.4357 3469.2132 6213.2449 296.5319 PRESSURE: 700600 0 0 0 0 0 0 0 0 0 GPRESSURE: 700600 0 0 0 0 0 0 0 0 0 PRESSAVG: 700600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 700600 0 0 0 0 0 0 0 0 0 TIMING: 700600 CPU: 2770.43, 0.00394719/step Wall: 2770.43, 0.00394719/step, 1.97293 hours remaining, 112.468750 MB of memory in use. ENERGY: 700600 631.7647 1866.8332 1999.1880 110.2254 0.4417 -1074.2140 0.0000 0.0000 2678.3375 6212.5765 295.8298 3534.2390 6242.8724 297.2680 PRESSURE: 700800 0 0 0 0 0 0 0 0 0 GPRESSURE: 700800 0 0 0 0 0 0 0 0 0 PRESSAVG: 700800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 700800 0 0 0 0 0 0 0 0 0 TIMING: 700800 CPU: 2771.22, 0.00394807/step Wall: 2771.22, 0.00394807/step, 1.97316 hours remaining, 112.468750 MB of memory in use. ENERGY: 700800 679.0254 1827.1690 2002.6753 98.2582 1.5758 -1105.6742 0.0000 0.0000 2696.5304 6199.5599 297.8393 3503.0295 6233.3342 297.6052 PRESSURE: 701000 0 0 0 0 0 0 0 0 0 GPRESSURE: 701000 0 0 0 0 0 0 0 0 0 PRESSAVG: 701000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 701000 0 0 0 0 0 0 0 0 0 TIMING: 701000 CPU: 2772.01, 0.00393916/step Wall: 2772.01, 0.00393916/step, 1.96849 hours remaining, 112.468750 MB of memory in use. ENERGY: 701000 656.8645 1839.3433 1998.3112 109.9531 1.3692 -1063.8177 0.0000 0.0000 2681.6538 6223.6774 296.1961 3542.0236 6256.0301 298.5514 PRESSURE: 701200 0 0 0 0 0 0 0 0 0 GPRESSURE: 701200 0 0 0 0 0 0 0 0 0 PRESSAVG: 701200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 701200 0 0 0 0 0 0 0 0 0 TIMING: 701200 CPU: 2772.8, 0.00394758/step Wall: 2772.8, 0.00394758/step, 1.97247 hours remaining, 112.468750 MB of memory in use. ENERGY: 701200 675.3015 1843.9642 1992.1826 115.7880 1.1598 -1088.1308 0.0000 0.0000 2646.8991 6187.1644 292.3574 3540.2653 6220.0253 298.8686 PRESSURE: 701400 0 0 0 0 0 0 0 0 0 GPRESSURE: 701400 0 0 0 0 0 0 0 0 0 PRESSAVG: 701400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 701400 0 0 0 0 0 0 0 0 0 TIMING: 701400 CPU: 2773.59, 0.00394649/step Wall: 2773.59, 0.00394649/step, 1.97171 hours remaining, 112.468750 MB of memory in use. ENERGY: 701400 683.7921 1864.3240 2012.6406 102.1330 0.1694 -1097.2052 0.0000 0.0000 2634.7129 6200.5668 291.0114 3565.8539 6230.4793 296.6474 PRESSURE: 701600 0 0 0 0 0 0 0 0 0 GPRESSURE: 701600 0 0 0 0 0 0 0 0 0 PRESSAVG: 701600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 701600 0 0 0 0 0 0 0 0 0 TIMING: 701600 CPU: 2774.38, 0.00394704/step Wall: 2774.38, 0.00394704/step, 1.97176 hours remaining, 112.468750 MB of memory in use. ENERGY: 701600 662.2392 1844.4642 1984.5116 111.4986 0.4456 -1083.5594 0.0000 0.0000 2691.0094 6210.6091 297.2295 3519.5997 6245.3339 298.0657 PRESSURE: 701800 0 0 0 0 0 0 0 0 0 GPRESSURE: 701800 0 0 0 0 0 0 0 0 0 PRESSAVG: 701800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 701800 0 0 0 0 0 0 0 0 0 TIMING: 701800 CPU: 2775.17, 0.00394901/step Wall: 2775.17, 0.003949/step, 1.97253 hours remaining, 112.468750 MB of memory in use. ENERGY: 701800 664.8630 1851.4747 1998.3341 97.9687 -0.6495 -1060.6800 0.0000 0.0000 2691.0283 6242.3394 297.2316 3551.3111 6278.6226 298.9205 PRESSURE: 702000 0 0 0 0 0 0 0 0 0 GPRESSURE: 702000 0 0 0 0 0 0 0 0 0 PRESSAVG: 702000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 702000 0 0 0 0 0 0 0 0 0 TIMING: 702000 CPU: 2775.96, 0.00394049/step Wall: 2775.96, 0.0039405/step, 1.96806 hours remaining, 112.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 702000 623.1315 1819.4603 2001.5938 105.5915 0.7111 -1057.7442 0.0000 0.0000 2719.1057 6211.8497 300.3328 3492.7440 6245.6081 299.0981 PRESSURE: 702200 0 0 0 0 0 0 0 0 0 GPRESSURE: 702200 0 0 0 0 0 0 0 0 0 PRESSAVG: 702200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 702200 0 0 0 0 0 0 0 0 0 TIMING: 702200 CPU: 2776.75, 0.00394872/step Wall: 2776.75, 0.00394872/step, 1.97194 hours remaining, 112.468750 MB of memory in use. ENERGY: 702200 636.8843 1855.9837 2011.8995 109.9059 0.2295 -1049.1815 0.0000 0.0000 2685.7217 6251.4430 296.6454 3565.7213 6284.9536 298.5526 PRESSURE: 702400 0 0 0 0 0 0 0 0 0 GPRESSURE: 702400 0 0 0 0 0 0 0 0 0 PRESSAVG: 702400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 702400 0 0 0 0 0 0 0 0 0 TIMING: 702400 CPU: 2777.54, 0.00394733/step Wall: 2777.54, 0.00394733/step, 1.97103 hours remaining, 112.468750 MB of memory in use. ENERGY: 702400 627.7838 1875.0957 1995.5782 100.4927 -0.4137 -1099.3210 0.0000 0.0000 2753.2790 6252.4947 304.1073 3499.2156 6286.6404 299.9320 PRESSURE: 702600 0 0 0 0 0 0 0 0 0 GPRESSURE: 702600 0 0 0 0 0 0 0 0 0 PRESSAVG: 702600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 702600 0 0 0 0 0 0 0 0 0 TIMING: 702600 CPU: 2778.33, 0.00395267/step Wall: 2778.33, 0.00395267/step, 1.97348 hours remaining, 112.468750 MB of memory in use. ENERGY: 702600 617.9790 1846.7570 2000.0514 96.2497 -0.1910 -1052.0085 0.0000 0.0000 2711.6314 6220.4690 299.5072 3508.8376 6250.9106 297.9417 PRESSURE: 702800 0 0 0 0 0 0 0 0 0 GPRESSURE: 702800 0 0 0 0 0 0 0 0 0 PRESSAVG: 702800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 702800 0 0 0 0 0 0 0 0 0 TIMING: 702800 CPU: 2779.12, 0.00394456/step Wall: 2779.12, 0.00394456/step, 1.96921 hours remaining, 112.468750 MB of memory in use. ENERGY: 702800 622.1708 1845.6427 2019.6005 98.2280 -0.2809 -1063.9137 0.0000 0.0000 2726.3832 6247.8306 301.1366 3521.4474 6283.6208 299.2915 PRESSURE: 703000 0 0 0 0 0 0 0 0 0 GPRESSURE: 703000 0 0 0 0 0 0 0 0 0 PRESSAVG: 703000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 703000 0 0 0 0 0 0 0 0 0 TIMING: 703000 CPU: 2779.91, 0.00394745/step Wall: 2779.91, 0.00394745/step, 1.97044 hours remaining, 112.468750 MB of memory in use. ENERGY: 703000 680.5416 1840.5099 2011.4575 111.3612 -0.7502 -1105.0107 0.0000 0.0000 2705.0368 6243.1462 298.7789 3538.1093 6275.3560 298.6363 PRESSURE: 703200 0 0 0 0 0 0 0 0 0 GPRESSURE: 703200 0 0 0 0 0 0 0 0 0 PRESSAVG: 703200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 703200 0 0 0 0 0 0 0 0 0 TIMING: 703200 CPU: 2780.7, 0.00394938/step Wall: 2780.7, 0.00394938/step, 1.97118 hours remaining, 112.468750 MB of memory in use. ENERGY: 703200 636.5703 1876.3697 1978.2086 121.5273 -0.1965 -1073.0734 0.0000 0.0000 2777.6948 6317.1009 306.8041 3539.4061 6349.5525 301.0553 PRESSURE: 703400 0 0 0 0 0 0 0 0 0 GPRESSURE: 703400 0 0 0 0 0 0 0 0 0 PRESSAVG: 703400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 703400 0 0 0 0 0 0 0 0 0 TIMING: 703400 CPU: 2781.49, 0.00395141/step Wall: 2781.49, 0.00395141/step, 1.97197 hours remaining, 112.468750 MB of memory in use. ENERGY: 703400 677.0030 1867.0709 1991.7559 107.3940 0.2793 -1095.8121 0.0000 0.0000 2773.7205 6321.4115 306.3652 3547.6910 6357.7068 304.5078 PRESSURE: 703600 0 0 0 0 0 0 0 0 0 GPRESSURE: 703600 0 0 0 0 0 0 0 0 0 PRESSAVG: 703600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 703600 0 0 0 0 0 0 0 0 0 TIMING: 703600 CPU: 2782.28, 0.00394925/step Wall: 2782.28, 0.00394925/step, 1.97067 hours remaining, 112.468750 MB of memory in use. ENERGY: 703600 691.9480 1835.0092 2016.7547 105.7242 -0.5714 -1096.1418 0.0000 0.0000 2760.8936 6313.6165 304.9484 3552.7230 6347.0608 303.8392 PRESSURE: 703800 0 0 0 0 0 0 0 0 0 GPRESSURE: 703800 0 0 0 0 0 0 0 0 0 PRESSAVG: 703800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 703800 0 0 0 0 0 0 0 0 0 TIMING: 703800 CPU: 2783.06, 0.00394455/step Wall: 2783.06, 0.00394455/step, 1.96811 hours remaining, 112.468750 MB of memory in use. ENERGY: 703800 662.5271 1856.3960 2015.9916 109.4574 0.7274 -1053.3903 0.0000 0.0000 2684.4892 6276.1984 296.5093 3591.7092 6309.1701 300.9400 PRESSURE: 704000 0 0 0 0 0 0 0 0 0 GPRESSURE: 704000 0 0 0 0 0 0 0 0 0 PRESSAVG: 704000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 704000 0 0 0 0 0 0 0 0 0 TIMING: 704000 CPU: 2783.85, 0.00394748/step Wall: 2783.85, 0.00394748/step, 1.96935 hours remaining, 112.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 704000 619.1327 1835.9999 2018.4666 112.5166 0.4453 -1078.6713 0.0000 0.0000 2748.0180 6255.9078 303.5262 3507.8898 6290.3222 299.4758 PRESSURE: 704200 0 0 0 0 0 0 0 0 0 GPRESSURE: 704200 0 0 0 0 0 0 0 0 0 PRESSAVG: 704200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 704200 0 0 0 0 0 0 0 0 0 TIMING: 704200 CPU: 2784.64, 0.00394766/step Wall: 2784.64, 0.00394766/step, 1.96922 hours remaining, 112.468750 MB of memory in use. ENERGY: 704200 667.5175 1822.1798 1973.2404 101.6153 0.7248 -1075.9715 0.0000 0.0000 2758.2276 6247.5339 304.6539 3489.3064 6281.3700 300.9192 LDB: ============= START OF LOAD BALANCING ============== 2787.6 LDB: ============== END OF LOAD BALANCING =============== 2787.6 LDB: =============== DONE WITH MIGRATION ================ 2787.6 LDB: ============= START OF LOAD BALANCING ============== 2788 LDB: ============== END OF LOAD BALANCING =============== 2788 LDB: =============== DONE WITH MIGRATION ================ 2788 PRESSURE: 704400 0 0 0 0 0 0 0 0 0 GPRESSURE: 704400 0 0 0 0 0 0 0 0 0 PRESSAVG: 704400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 704400 0 0 0 0 0 0 0 0 0 TIMING: 704400 CPU: 2785.43, 0.00395179/step Wall: 2785.43, 0.00395179/step, 1.97106 hours remaining, 112.468750 MB of memory in use. ENERGY: 704400 659.0465 1876.2664 2011.4169 115.6191 0.7343 -1092.9986 0.0000 0.0000 2745.8693 6315.9539 303.2889 3570.0846 6348.6222 302.7633 PRESSURE: 704600 0 0 0 0 0 0 0 0 0 GPRESSURE: 704600 0 0 0 0 0 0 0 0 0 PRESSAVG: 704600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 704600 0 0 0 0 0 0 0 0 0 TIMING: 704600 CPU: 2786.22, 0.00394879/step Wall: 2786.22, 0.00394879/step, 1.96935 hours remaining, 112.468750 MB of memory in use. ENERGY: 704600 664.9408 1867.1861 2016.6686 101.9450 0.8732 -1065.9079 0.0000 0.0000 2734.9551 6320.6610 302.0834 3585.7059 6351.5789 303.8251 PRESSURE: 704800 0 0 0 0 0 0 0 0 0 GPRESSURE: 704800 0 0 0 0 0 0 0 0 0 PRESSAVG: 704800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 704800 0 0 0 0 0 0 0 0 0 TIMING: 704800 CPU: 2787.01, 0.00394438/step Wall: 2787.01, 0.00394438/step, 1.96693 hours remaining, 112.468750 MB of memory in use. ENERGY: 704800 671.1595 1855.0459 2020.1080 112.2421 0.0650 -1095.2633 0.0000 0.0000 2703.5861 6266.9434 298.6186 3563.3573 6300.5815 303.5573 PRESSURE: 705000 0 0 0 0 0 0 0 0 0 GPRESSURE: 705000 0 0 0 0 0 0 0 0 0 PRESSAVG: 705000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 705000 0 0 0 0 0 0 0 0 0 TIMING: 705000 CPU: 2787.8, 0.00394843/step Wall: 2787.8, 0.00394843/step, 1.96873 hours remaining, 112.468750 MB of memory in use. ENERGY: 705000 640.4427 1853.3605 2001.4193 100.7192 0.0175 -1038.5710 0.0000 0.0000 2732.6458 6290.0338 301.8283 3557.3881 6319.9340 301.3050 PRESSURE: 705200 0 0 0 0 0 0 0 0 0 GPRESSURE: 705200 0 0 0 0 0 0 0 0 0 PRESSAVG: 705200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 705200 0 0 0 0 0 0 0 0 0 TIMING: 705200 CPU: 2788.59, 0.0039491/step Wall: 2788.59, 0.0039491/step, 1.96884 hours remaining, 112.468750 MB of memory in use. ENERGY: 705200 668.9010 1900.6674 2027.8357 115.8854 -1.3368 -1067.3301 0.0000 0.0000 2634.1907 6278.8134 290.9537 3644.6227 6307.7770 302.0692 PRESSURE: 705400 0 0 0 0 0 0 0 0 0 GPRESSURE: 705400 0 0 0 0 0 0 0 0 0 PRESSAVG: 705400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 705400 0 0 0 0 0 0 0 0 0 TIMING: 705400 CPU: 2789.38, 0.00394915/step Wall: 2789.38, 0.00394915/step, 1.96865 hours remaining, 112.468750 MB of memory in use. ENERGY: 705400 652.5809 1821.3809 2012.0217 135.4036 1.2883 -1084.2864 0.0000 0.0000 2687.9626 6226.3516 296.8930 3538.3890 6259.0741 300.1749 PRESSURE: 705600 0 0 0 0 0 0 0 0 0 GPRESSURE: 705600 0 0 0 0 0 0 0 0 0 PRESSAVG: 705600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 705600 0 0 0 0 0 0 0 0 0 TIMING: 705600 CPU: 2790.17, 0.00394857/step Wall: 2790.17, 0.00394857/step, 1.96814 hours remaining, 112.468750 MB of memory in use. ENERGY: 705600 651.7591 1808.4428 2011.2956 123.4501 1.4030 -1078.9020 0.0000 0.0000 2702.5860 6220.0347 298.5082 3517.4487 6252.3957 298.2965 PRESSURE: 705800 0 0 0 0 0 0 0 0 0 GPRESSURE: 705800 0 0 0 0 0 0 0 0 0 PRESSAVG: 705800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 705800 0 0 0 0 0 0 0 0 0 TIMING: 705800 CPU: 2790.96, 0.00394351/step Wall: 2790.96, 0.0039435/step, 1.9654 hours remaining, 112.468750 MB of memory in use. ENERGY: 705800 656.0054 1865.6235 1968.3693 105.7742 -0.0529 -1084.2412 0.0000 0.0000 2666.1331 6177.6114 294.4818 3511.4783 6208.7538 297.1142 PRESSURE: 706000 0 0 0 0 0 0 0 0 0 GPRESSURE: 706000 0 0 0 0 0 0 0 0 0 PRESSAVG: 706000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 706000 0 0 0 0 0 0 0 0 0 TIMING: 706000 CPU: 2791.75, 0.00394958/step Wall: 2791.75, 0.00394959/step, 1.96821 hours remaining, 112.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 706000 643.5122 1840.7853 1999.0214 100.8517 1.2090 -1086.1163 0.0000 0.0000 2712.8073 6212.0706 299.6371 3499.2632 6242.0881 297.9627 PRESSURE: 706200 0 0 0 0 0 0 0 0 0 GPRESSURE: 706200 0 0 0 0 0 0 0 0 0 PRESSAVG: 706200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 706200 0 0 0 0 0 0 0 0 0 TIMING: 706200 CPU: 2792.54, 0.00394768/step Wall: 2792.54, 0.00394768/step, 1.96704 hours remaining, 112.468750 MB of memory in use. ENERGY: 706200 657.1221 1850.6923 2018.7545 134.5440 0.7427 -1081.2790 0.0000 0.0000 2664.5187 6245.0953 294.3035 3580.5766 6278.6152 298.7532 PRESSURE: 706400 0 0 0 0 0 0 0 0 0 GPRESSURE: 706400 0 0 0 0 0 0 0 0 0 PRESSAVG: 706400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 706400 0 0 0 0 0 0 0 0 0 TIMING: 706400 CPU: 2793.33, 0.00394767/step Wall: 2793.33, 0.00394767/step, 1.96682 hours remaining, 112.468750 MB of memory in use. ENERGY: 706400 646.4551 1880.5095 2004.1723 108.4230 0.7350 -1103.0318 0.0000 0.0000 2700.9714 6238.2345 298.3298 3537.2631 6271.8508 300.0753 PRESSURE: 706600 0 0 0 0 0 0 0 0 0 GPRESSURE: 706600 0 0 0 0 0 0 0 0 0 PRESSAVG: 706600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 706600 0 0 0 0 0 0 0 0 0 TIMING: 706600 CPU: 2794.12, 0.00394297/step Wall: 2794.12, 0.00394297/step, 1.96425 hours remaining, 112.468750 MB of memory in use. ENERGY: 706600 685.8895 1820.2640 2017.2816 117.0836 3.0157 -1057.8740 0.0000 0.0000 2706.4054 6292.0658 298.9300 3585.6604 6323.2244 302.1250 PRESSURE: 706800 0 0 0 0 0 0 0 0 0 GPRESSURE: 706800 0 0 0 0 0 0 0 0 0 PRESSAVG: 706800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 706800 0 0 0 0 0 0 0 0 0 TIMING: 706800 CPU: 2794.91, 0.00394746/step Wall: 2794.91, 0.00394746/step, 1.96627 hours remaining, 112.468750 MB of memory in use. ENERGY: 706800 673.5027 1813.4247 2003.1271 106.0489 2.0251 -1068.9492 0.0000 0.0000 2722.2958 6251.4751 300.6852 3529.1792 6287.2791 300.0616 PRESSURE: 707000 0 0 0 0 0 0 0 0 0 GPRESSURE: 707000 0 0 0 0 0 0 0 0 0 PRESSAVG: 707000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 707000 0 0 0 0 0 0 0 0 0 TIMING: 707000 CPU: 2795.7, 0.0039497/step Wall: 2795.7, 0.0039497/step, 1.96717 hours remaining, 112.468750 MB of memory in use. ENERGY: 707000 651.8211 1822.4960 2013.6409 103.4356 2.0244 -1070.7403 0.0000 0.0000 2729.9444 6252.6221 301.5300 3522.6777 6286.3863 300.7094 PRESSURE: 707200 0 0 0 0 0 0 0 0 0 GPRESSURE: 707200 0 0 0 0 0 0 0 0 0 PRESSAVG: 707200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 707200 0 0 0 0 0 0 0 0 0 TIMING: 707200 CPU: 2796.49, 0.00394971/step Wall: 2796.49, 0.00394971/step, 1.96695 hours remaining, 112.468750 MB of memory in use. ENERGY: 707200 677.9507 1892.6660 1991.9867 102.6818 2.4142 -1072.5343 0.0000 0.0000 2715.9692 6311.1343 299.9864 3595.1651 6343.6869 301.8106 PRESSURE: 707400 0 0 0 0 0 0 0 0 0 GPRESSURE: 707400 0 0 0 0 0 0 0 0 0 PRESSAVG: 707400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 707400 0 0 0 0 0 0 0 0 0 TIMING: 707400 CPU: 2797.28, 0.00394887/step Wall: 2797.28, 0.00394887/step, 1.96632 hours remaining, 112.468750 MB of memory in use. ENERGY: 707400 667.9499 1835.4801 2038.3497 108.5503 1.5049 -1113.8302 0.0000 0.0000 2764.4971 6302.5017 305.3464 3538.0047 6336.2385 304.5635 PRESSURE: 707600 0 0 0 0 0 0 0 0 0 GPRESSURE: 707600 0 0 0 0 0 0 0 0 0 PRESSAVG: 707600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 707600 0 0 0 0 0 0 0 0 0 TIMING: 707600 CPU: 2798.07, 0.00394692/step Wall: 2798.07, 0.00394692/step, 1.96513 hours remaining, 112.468750 MB of memory in use. ENERGY: 707600 672.0910 1834.0772 2038.0753 108.2576 2.6675 -1089.9334 0.0000 0.0000 2728.0087 6293.2439 301.3162 3565.2352 6328.2683 302.0529 PRESSURE: 707800 0 0 0 0 0 0 0 0 0 GPRESSURE: 707800 0 0 0 0 0 0 0 0 0 PRESSAVG: 707800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 707800 0 0 0 0 0 0 0 0 0 TIMING: 707800 CPU: 2798.86, 0.00394911/step Wall: 2798.86, 0.00394911/step, 1.966 hours remaining, 112.468750 MB of memory in use. ENERGY: 707800 648.1219 1861.2452 2027.4436 104.9079 2.6818 -1092.8167 0.0000 0.0000 2683.0980 6234.6818 296.3557 3551.5837 6266.8508 300.1380 PRESSURE: 708000 0 0 0 0 0 0 0 0 0 GPRESSURE: 708000 0 0 0 0 0 0 0 0 0 PRESSAVG: 708000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 708000 0 0 0 0 0 0 0 0 0 TIMING: 708000 CPU: 2799.65, 0.00395014/step Wall: 2799.65, 0.00395014/step, 1.96629 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 708000 665.5992 1806.0535 1965.0330 105.7200 1.0717 -1062.5786 0.0000 0.0000 2721.5580 6202.4567 300.6037 3480.8987 6238.0667 298.9765 PRESSURE: 708200 0 0 0 0 0 0 0 0 0 GPRESSURE: 708200 0 0 0 0 0 0 0 0 0 PRESSAVG: 708200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 708200 0 0 0 0 0 0 0 0 0 TIMING: 708200 CPU: 2800.44, 0.00394937/step Wall: 2800.44, 0.00394937/step, 1.96569 hours remaining, 112.472656 MB of memory in use. ENERGY: 708200 658.3455 1840.0806 2019.6590 101.8678 2.4852 -1084.9185 0.0000 0.0000 2650.0151 6187.5347 292.7016 3537.5196 6221.0200 296.1583 LDB: ============= START OF LOAD BALANCING ============== 2803.4 LDB: ============== END OF LOAD BALANCING =============== 2803.4 LDB: =============== DONE WITH MIGRATION ================ 2803.4 LDB: ============= START OF LOAD BALANCING ============== 2803.79 LDB: ============== END OF LOAD BALANCING =============== 2803.79 LDB: =============== DONE WITH MIGRATION ================ 2803.79 PRESSURE: 708400 0 0 0 0 0 0 0 0 0 GPRESSURE: 708400 0 0 0 0 0 0 0 0 0 PRESSAVG: 708400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 708400 0 0 0 0 0 0 0 0 0 TIMING: 708400 CPU: 2801.23, 0.00395586/step Wall: 2801.23, 0.00395586/step, 1.9687 hours remaining, 112.472656 MB of memory in use. ENERGY: 708400 660.1820 1841.2986 1995.8432 109.6956 0.9722 -1099.1757 0.0000 0.0000 2674.9725 6183.7885 295.4582 3508.8159 6214.0570 296.3871 PRESSURE: 708600 0 0 0 0 0 0 0 0 0 GPRESSURE: 708600 0 0 0 0 0 0 0 0 0 PRESSAVG: 708600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 708600 0 0 0 0 0 0 0 0 0 TIMING: 708600 CPU: 2802.02, 0.0039522/step Wall: 2802.02, 0.0039522/step, 1.96666 hours remaining, 112.472656 MB of memory in use. ENERGY: 708600 658.9756 1814.7579 1979.1550 107.5193 0.3519 -1088.9602 0.0000 0.0000 2743.5052 6215.3047 303.0278 3471.7995 6251.0174 298.1100 PRESSURE: 708800 0 0 0 0 0 0 0 0 0 GPRESSURE: 708800 0 0 0 0 0 0 0 0 0 PRESSAVG: 708800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 708800 0 0 0 0 0 0 0 0 0 TIMING: 708800 CPU: 2802.81, 0.00395429/step Wall: 2802.81, 0.00395429/step, 1.96748 hours remaining, 112.472656 MB of memory in use. ENERGY: 708800 637.5644 1821.7496 2001.2625 109.6787 1.7715 -1088.8634 0.0000 0.0000 2713.4284 6196.5917 299.7057 3483.1633 6230.0670 300.1025 PRESSURE: 709000 0 0 0 0 0 0 0 0 0 GPRESSURE: 709000 0 0 0 0 0 0 0 0 0 PRESSAVG: 709000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 709000 0 0 0 0 0 0 0 0 0 TIMING: 709000 CPU: 2803.6, 0.00395309/step Wall: 2803.6, 0.00395309/step, 1.96666 hours remaining, 112.472656 MB of memory in use. ENERGY: 709000 662.4097 1797.6086 2005.4831 114.9418 1.2807 -1094.1334 0.0000 0.0000 2732.0369 6219.6274 301.7611 3487.5905 6254.6853 298.2069 PRESSURE: 709200 0 0 0 0 0 0 0 0 0 GPRESSURE: 709200 0 0 0 0 0 0 0 0 0 PRESSAVG: 709200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 709200 0 0 0 0 0 0 0 0 0 TIMING: 709200 CPU: 2804.39, 0.00395047/step Wall: 2804.39, 0.00395047/step, 1.96514 hours remaining, 112.472656 MB of memory in use. ENERGY: 709200 589.6195 1818.8943 2016.4270 108.3959 2.4745 -1056.3993 0.0000 0.0000 2692.4153 6171.8271 297.3848 3479.4118 6202.7744 298.5956 PRESSURE: 709400 0 0 0 0 0 0 0 0 0 GPRESSURE: 709400 0 0 0 0 0 0 0 0 0 PRESSAVG: 709400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 709400 0 0 0 0 0 0 0 0 0 TIMING: 709400 CPU: 2805.18, 0.00395028/step Wall: 2805.18, 0.00395028/step, 1.96483 hours remaining, 112.472656 MB of memory in use. ENERGY: 709400 651.9209 1848.5329 1999.9932 100.9992 0.6333 -1106.4695 0.0000 0.0000 2680.3200 6175.9301 296.0488 3495.6101 6208.2646 295.6790 PRESSURE: 709600 0 0 0 0 0 0 0 0 0 GPRESSURE: 709600 0 0 0 0 0 0 0 0 0 PRESSAVG: 709600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 709600 0 0 0 0 0 0 0 0 0 TIMING: 709600 CPU: 2805.97, 0.00394442/step Wall: 2805.97, 0.00394442/step, 1.96169 hours remaining, 112.472656 MB of memory in use. ENERGY: 709600 652.3571 1845.6332 1982.3968 101.4565 2.1373 -1079.3202 0.0000 0.0000 2720.8088 6225.4695 300.5209 3504.6607 6257.9518 297.0368 PRESSURE: 709800 0 0 0 0 0 0 0 0 0 GPRESSURE: 709800 0 0 0 0 0 0 0 0 0 PRESSAVG: 709800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 709800 0 0 0 0 0 0 0 0 0 TIMING: 709800 CPU: 2806.76, 0.00394919/step Wall: 2806.76, 0.00394919/step, 1.96384 hours remaining, 112.472656 MB of memory in use. ENERGY: 709800 660.1761 1800.4790 1980.7427 110.2059 1.8982 -1075.9164 0.0000 0.0000 2704.9238 6182.5093 298.7664 3477.5855 6218.1540 298.2639 PRESSURE: 710000 0 0 0 0 0 0 0 0 0 GPRESSURE: 710000 0 0 0 0 0 0 0 0 0 PRESSAVG: 710000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 710000 0 0 0 0 0 0 0 0 0 TIMING: 710000 CPU: 2807.55, 0.00395072/step Wall: 2807.55, 0.00395072/step, 1.96439 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 710000 691.4155 1849.5248 1993.5913 113.7274 0.6572 -1100.5636 0.0000 0.0000 2691.3968 6239.7495 297.2723 3548.3527 6269.0834 296.8091 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 710000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 710000 WRITING COORDINATES TO RESTART FILE AT STEP 710000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 710000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 710200 0 0 0 0 0 0 0 0 0 GPRESSURE: 710200 0 0 0 0 0 0 0 0 0 PRESSAVG: 710200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 710200 0 0 0 0 0 0 0 0 0 TIMING: 710200 CPU: 2808.37, 0.00411891/step Wall: 2808.37, 0.00411891/step, 2.04778 hours remaining, 112.472656 MB of memory in use. ENERGY: 710200 638.6801 1843.7910 1991.4723 110.4863 1.5784 -1054.9119 0.0000 0.0000 2653.6845 6184.7807 293.1068 3531.0962 6216.6804 298.2708 PRESSURE: 710400 0 0 0 0 0 0 0 0 0 GPRESSURE: 710400 0 0 0 0 0 0 0 0 0 PRESSAVG: 710400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 710400 0 0 0 0 0 0 0 0 0 TIMING: 710400 CPU: 2809.16, 0.00394544/step Wall: 2809.16, 0.00394544/step, 1.96132 hours remaining, 112.472656 MB of memory in use. ENERGY: 710400 669.9528 1821.4158 1963.1033 109.7109 1.8975 -1056.7259 0.0000 0.0000 2714.1309 6223.4852 299.7833 3509.3543 6258.6412 300.2188 PRESSURE: 710600 0 0 0 0 0 0 0 0 0 GPRESSURE: 710600 0 0 0 0 0 0 0 0 0 PRESSAVG: 710600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 710600 0 0 0 0 0 0 0 0 0 TIMING: 710600 CPU: 2809.95, 0.00394894/step Wall: 2809.95, 0.00394894/step, 1.96284 hours remaining, 112.472656 MB of memory in use. ENERGY: 710600 703.6779 1836.1248 1987.9716 113.1858 1.6522 -1071.9304 0.0000 0.0000 2724.8538 6295.5357 300.9677 3570.6819 6329.8707 300.5293 PRESSURE: 710800 0 0 0 0 0 0 0 0 0 GPRESSURE: 710800 0 0 0 0 0 0 0 0 0 PRESSAVG: 710800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 710800 0 0 0 0 0 0 0 0 0 TIMING: 710800 CPU: 2810.74, 0.00395003/step Wall: 2810.74, 0.00395003/step, 1.96316 hours remaining, 112.472656 MB of memory in use. ENERGY: 710800 657.6785 1917.1311 2009.7126 113.9462 0.9173 -1063.5922 0.0000 0.0000 2723.4058 6359.1993 300.8078 3635.7935 6392.3023 303.7953 PRESSURE: 711000 0 0 0 0 0 0 0 0 0 GPRESSURE: 711000 0 0 0 0 0 0 0 0 0 PRESSAVG: 711000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 711000 0 0 0 0 0 0 0 0 0 TIMING: 711000 CPU: 2811.53, 0.0039514/step Wall: 2811.53, 0.0039514/step, 1.96363 hours remaining, 112.472656 MB of memory in use. ENERGY: 711000 631.9797 1853.3197 1996.7216 116.1533 0.9592 -1057.6265 0.0000 0.0000 2814.4449 6355.9518 310.8633 3541.5070 6392.9082 305.8272 PRESSURE: 711200 0 0 0 0 0 0 0 0 0 GPRESSURE: 711200 0 0 0 0 0 0 0 0 0 PRESSAVG: 711200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 711200 0 0 0 0 0 0 0 0 0 TIMING: 711200 CPU: 2812.32, 0.00394884/step Wall: 2812.32, 0.00394884/step, 1.96213 hours remaining, 112.472656 MB of memory in use. ENERGY: 711200 612.6800 1859.9142 1997.7325 99.4886 2.5014 -1031.0066 0.0000 0.0000 2716.5856 6257.8957 300.0545 3541.3100 6291.2921 302.9550 PRESSURE: 711400 0 0 0 0 0 0 0 0 0 GPRESSURE: 711400 0 0 0 0 0 0 0 0 0 PRESSAVG: 711400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 711400 0 0 0 0 0 0 0 0 0 TIMING: 711400 CPU: 2813.11, 0.00394508/step Wall: 2813.11, 0.00394508/step, 1.96005 hours remaining, 112.472656 MB of memory in use. ENERGY: 711400 643.0507 1825.3584 2016.8441 104.2202 0.9356 -1074.6010 0.0000 0.0000 2720.1130 6235.9210 300.4441 3515.8080 6272.8549 299.1392 PRESSURE: 711600 0 0 0 0 0 0 0 0 0 GPRESSURE: 711600 0 0 0 0 0 0 0 0 0 PRESSAVG: 711600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 711600 0 0 0 0 0 0 0 0 0 TIMING: 711600 CPU: 2813.9, 0.00394987/step Wall: 2813.9, 0.00394987/step, 1.96221 hours remaining, 112.472656 MB of memory in use. ENERGY: 711600 658.6219 1826.3627 2007.4624 116.8084 0.2251 -1098.3245 0.0000 0.0000 2704.5614 6215.7173 298.7263 3511.1560 6250.6533 301.0861 PRESSURE: 711800 0 0 0 0 0 0 0 0 0 GPRESSURE: 711800 0 0 0 0 0 0 0 0 0 PRESSAVG: 711800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 711800 0 0 0 0 0 0 0 0 0 TIMING: 711800 CPU: 2814.69, 0.00395201/step Wall: 2814.69, 0.00395201/step, 1.96305 hours remaining, 112.472656 MB of memory in use. ENERGY: 711800 679.0187 1891.6476 1994.1215 106.0902 1.5853 -1093.8511 0.0000 0.0000 2696.0046 6274.6168 297.7812 3578.6122 6305.8189 301.3477 PRESSURE: 712000 0 0 0 0 0 0 0 0 0 GPRESSURE: 712000 0 0 0 0 0 0 0 0 0 PRESSAVG: 712000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 712000 0 0 0 0 0 0 0 0 0 TIMING: 712000 CPU: 2815.48, 0.00395115/step Wall: 2815.48, 0.00395115/step, 1.96241 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 712000 683.0484 1829.1138 1983.1180 116.8951 1.0946 -1065.4565 0.0000 0.0000 2720.6899 6268.5033 300.5078 3547.8134 6302.1247 301.6812 PRESSURE: 712200 0 0 0 0 0 0 0 0 0 GPRESSURE: 712200 0 0 0 0 0 0 0 0 0 PRESSAVG: 712200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 712200 0 0 0 0 0 0 0 0 0 TIMING: 712200 CPU: 2816.27, 0.00395181/step Wall: 2816.27, 0.00395181/step, 1.96251 hours remaining, 112.472656 MB of memory in use. ENERGY: 712200 648.8077 1817.7634 1969.4461 129.0414 2.3576 -1068.7473 0.0000 0.0000 2700.2051 6198.8739 298.2452 3498.6688 6234.7418 299.1032 LDB: ============= START OF LOAD BALANCING ============== 2819.23 LDB: ============== END OF LOAD BALANCING =============== 2819.23 LDB: =============== DONE WITH MIGRATION ================ 2819.23 LDB: ============= START OF LOAD BALANCING ============== 2819.63 LDB: ============== END OF LOAD BALANCING =============== 2819.63 LDB: =============== DONE WITH MIGRATION ================ 2819.63 PRESSURE: 712400 0 0 0 0 0 0 0 0 0 GPRESSURE: 712400 0 0 0 0 0 0 0 0 0 PRESSAVG: 712400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 712400 0 0 0 0 0 0 0 0 0 TIMING: 712400 CPU: 2817.06, 0.00395261/step Wall: 2817.06, 0.00395261/step, 1.96269 hours remaining, 112.472656 MB of memory in use. ENERGY: 712400 646.1112 1819.8919 1971.7311 100.7049 1.0816 -1071.0770 0.0000 0.0000 2681.7627 6150.2065 296.2082 3468.4437 6183.9819 296.0214 PRESSURE: 712600 0 0 0 0 0 0 0 0 0 GPRESSURE: 712600 0 0 0 0 0 0 0 0 0 PRESSAVG: 712600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 712600 0 0 0 0 0 0 0 0 0 TIMING: 712600 CPU: 2817.85, 0.00394958/step Wall: 2817.85, 0.00394958/step, 1.96097 hours remaining, 112.472656 MB of memory in use. ENERGY: 712600 627.4646 1835.4543 1979.8141 97.6823 1.9967 -1053.8254 0.0000 0.0000 2732.5208 6221.1074 301.8145 3488.5866 6255.5004 297.0647 PRESSURE: 712800 0 0 0 0 0 0 0 0 0 GPRESSURE: 712800 0 0 0 0 0 0 0 0 0 PRESSAVG: 712800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 712800 0 0 0 0 0 0 0 0 0 TIMING: 712800 CPU: 2818.64, 0.00396317/step Wall: 2818.64, 0.00396317/step, 1.96749 hours remaining, 112.472656 MB of memory in use. ENERGY: 712800 653.3670 1852.2502 1995.9093 89.2979 1.5825 -1060.1912 0.0000 0.0000 2710.3117 6242.5275 299.3615 3532.2158 6276.6542 299.4604 PRESSURE: 713000 0 0 0 0 0 0 0 0 0 GPRESSURE: 713000 0 0 0 0 0 0 0 0 0 PRESSAVG: 713000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 713000 0 0 0 0 0 0 0 0 0 TIMING: 713000 CPU: 2819.43, 0.00395002/step Wall: 2819.43, 0.00395002/step, 1.96075 hours remaining, 112.472656 MB of memory in use. ENERGY: 713000 680.5786 1837.7904 1992.3626 104.5794 0.7395 -1069.7149 0.0000 0.0000 2680.6546 6226.9902 296.0858 3546.3356 6261.8751 297.7105 PRESSURE: 713200 0 0 0 0 0 0 0 0 0 GPRESSURE: 713200 0 0 0 0 0 0 0 0 0 PRESSAVG: 713200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 713200 0 0 0 0 0 0 0 0 0 TIMING: 713200 CPU: 2820.22, 0.00395091/step Wall: 2820.22, 0.00395091/step, 1.96097 hours remaining, 112.472656 MB of memory in use. ENERGY: 713200 670.8806 1907.4904 2007.4528 100.2858 0.6370 -1083.2135 0.0000 0.0000 2705.5131 6309.0462 298.8315 3603.5331 6343.3080 301.2078 PRESSURE: 713400 0 0 0 0 0 0 0 0 0 GPRESSURE: 713400 0 0 0 0 0 0 0 0 0 PRESSAVG: 713400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 713400 0 0 0 0 0 0 0 0 0 TIMING: 713400 CPU: 2821.01, 0.00394684/step Wall: 2821.01, 0.00394685/step, 1.95873 hours remaining, 112.472656 MB of memory in use. ENERGY: 713400 612.1551 1867.2223 1972.7194 121.9671 0.9849 -1052.9423 0.0000 0.0000 2810.3977 6332.5042 310.4163 3522.1065 6365.6632 305.1032 PRESSURE: 713600 0 0 0 0 0 0 0 0 0 GPRESSURE: 713600 0 0 0 0 0 0 0 0 0 PRESSAVG: 713600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 713600 0 0 0 0 0 0 0 0 0 TIMING: 713600 CPU: 2821.8, 0.00395/step Wall: 2821.8, 0.00395/step, 1.96008 hours remaining, 112.472656 MB of memory in use. ENERGY: 713600 678.2537 1865.7577 1998.0819 103.2698 1.5406 -1064.1229 0.0000 0.0000 2736.6315 6319.4125 302.2686 3582.7809 6351.7494 304.0616 PRESSURE: 713800 0 0 0 0 0 0 0 0 0 GPRESSURE: 713800 0 0 0 0 0 0 0 0 0 PRESSAVG: 713800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 713800 0 0 0 0 0 0 0 0 0 TIMING: 713800 CPU: 2822.59, 0.00395062/step Wall: 2822.59, 0.00395062/step, 1.96017 hours remaining, 112.472656 MB of memory in use. ENERGY: 713800 628.6551 1879.2825 1986.7216 107.1009 -0.8907 -1105.9336 0.0000 0.0000 2767.7893 6262.7251 305.7100 3494.9358 6299.5354 301.6304 PRESSURE: 714000 0 0 0 0 0 0 0 0 0 GPRESSURE: 714000 0 0 0 0 0 0 0 0 0 PRESSAVG: 714000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 714000 0 0 0 0 0 0 0 0 0 TIMING: 714000 CPU: 2823.38, 0.0039504/step Wall: 2823.38, 0.0039504/step, 1.95984 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 714000 660.8971 1871.6219 1980.4163 108.4722 2.0305 -1061.3573 0.0000 0.0000 2745.7973 6307.8782 303.2810 3562.0808 6339.8460 302.3755 PRESSURE: 714200 0 0 0 0 0 0 0 0 0 GPRESSURE: 714200 0 0 0 0 0 0 0 0 0 PRESSAVG: 714200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 714200 0 0 0 0 0 0 0 0 0 TIMING: 714200 CPU: 2824.17, 0.00394522/step Wall: 2824.17, 0.00394522/step, 1.95705 hours remaining, 112.472656 MB of memory in use. ENERGY: 714200 627.6497 1851.2767 2002.7111 116.1444 0.6977 -1084.4486 0.0000 0.0000 2728.8193 6242.8502 301.4057 3514.0309 6276.0509 301.3515 PRESSURE: 714400 0 0 0 0 0 0 0 0 0 GPRESSURE: 714400 0 0 0 0 0 0 0 0 0 PRESSAVG: 714400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 714400 0 0 0 0 0 0 0 0 0 TIMING: 714400 CPU: 2824.96, 0.00395085/step Wall: 2824.96, 0.00395085/step, 1.95962 hours remaining, 112.472656 MB of memory in use. ENERGY: 714400 644.5702 1852.5189 1960.5399 118.0169 1.1880 -1058.0418 0.0000 0.0000 2700.0716 6218.8638 298.2304 3518.7922 6252.3589 298.5141 PRESSURE: 714600 0 0 0 0 0 0 0 0 0 GPRESSURE: 714600 0 0 0 0 0 0 0 0 0 PRESSAVG: 714600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 714600 0 0 0 0 0 0 0 0 0 TIMING: 714600 CPU: 2825.75, 0.0039513/step Wall: 2825.75, 0.0039513/step, 1.95963 hours remaining, 112.472656 MB of memory in use. ENERGY: 714600 661.7458 1829.9603 1977.2958 123.4979 -0.0829 -1072.4214 0.0000 0.0000 2703.8647 6223.8603 298.6494 3519.9956 6256.5992 300.3408 PRESSURE: 714800 0 0 0 0 0 0 0 0 0 GPRESSURE: 714800 0 0 0 0 0 0 0 0 0 PRESSAVG: 714800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 714800 0 0 0 0 0 0 0 0 0 TIMING: 714800 CPU: 2826.54, 0.00394976/step Wall: 2826.54, 0.00394976/step, 1.95864 hours remaining, 112.472656 MB of memory in use. ENERGY: 714800 676.4900 1776.0080 1989.4320 106.6760 0.4312 -1044.7425 0.0000 0.0000 2671.2229 6175.5176 295.0440 3504.2947 6205.0435 298.6025 PRESSURE: 715000 0 0 0 0 0 0 0 0 0 GPRESSURE: 715000 0 0 0 0 0 0 0 0 0 PRESSAVG: 715000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 715000 0 0 0 0 0 0 0 0 0 TIMING: 715000 CPU: 2827.33, 0.00395033/step Wall: 2827.33, 0.00395033/step, 1.9587 hours remaining, 112.472656 MB of memory in use. ENERGY: 715000 677.8595 1782.8528 1995.1954 101.8719 1.6488 -1029.0179 0.0000 0.0000 2733.9828 6264.3934 301.9760 3530.4106 6298.6956 298.5871 PRESSURE: 715200 0 0 0 0 0 0 0 0 0 GPRESSURE: 715200 0 0 0 0 0 0 0 0 0 PRESSAVG: 715200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 715200 0 0 0 0 0 0 0 0 0 TIMING: 715200 CPU: 2828.12, 0.00394688/step Wall: 2828.12, 0.00394688/step, 1.95677 hours remaining, 112.472656 MB of memory in use. ENERGY: 715200 653.8392 1821.8234 1981.5133 109.1918 0.4438 -1032.0551 0.0000 0.0000 2701.5411 6236.2974 298.3927 3534.7563 6268.9563 298.4379 PRESSURE: 715400 0 0 0 0 0 0 0 0 0 GPRESSURE: 715400 0 0 0 0 0 0 0 0 0 PRESSAVG: 715400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 715400 0 0 0 0 0 0 0 0 0 TIMING: 715400 CPU: 2828.91, 0.00395083/step Wall: 2828.91, 0.00395083/step, 1.95852 hours remaining, 112.472656 MB of memory in use. ENERGY: 715400 642.7845 1837.0201 2017.1719 112.4916 0.1457 -1044.9204 0.0000 0.0000 2714.1424 6278.8359 299.7846 3564.6935 6312.4964 301.0292 PRESSURE: 715600 0 0 0 0 0 0 0 0 0 GPRESSURE: 715600 0 0 0 0 0 0 0 0 0 PRESSAVG: 715600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 715600 0 0 0 0 0 0 0 0 0 TIMING: 715600 CPU: 2829.7, 0.00395198/step Wall: 2829.7, 0.00395198/step, 1.95886 hours remaining, 112.472656 MB of memory in use. ENERGY: 715600 642.0451 1884.6622 2003.7504 108.5650 1.3447 -1095.0475 0.0000 0.0000 2664.0146 6209.3346 294.2478 3545.3199 6240.1870 300.4853 PRESSURE: 715800 0 0 0 0 0 0 0 0 0 GPRESSURE: 715800 0 0 0 0 0 0 0 0 0 PRESSAVG: 715800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 715800 0 0 0 0 0 0 0 0 0 TIMING: 715800 CPU: 2830.49, 0.00395166/step Wall: 2830.49, 0.00395166/step, 1.95849 hours remaining, 112.472656 MB of memory in use. ENERGY: 715800 659.8378 1850.7268 2002.8966 93.4097 0.0915 -1092.1145 0.0000 0.0000 2662.5018 6177.3498 294.0807 3514.8480 6208.8060 296.4021 PRESSURE: 716000 0 0 0 0 0 0 0 0 0 GPRESSURE: 716000 0 0 0 0 0 0 0 0 0 PRESSAVG: 716000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 716000 0 0 0 0 0 0 0 0 0 TIMING: 716000 CPU: 2831.28, 0.00395284/step Wall: 2831.28, 0.00395284/step, 1.95885 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 716000 633.5946 1813.0269 1967.4281 103.3589 0.7690 -1048.7771 0.0000 0.0000 2703.5107 6172.9112 298.6103 3469.4005 6206.1260 296.3391 PRESSURE: 716200 0 0 0 0 0 0 0 0 0 GPRESSURE: 716200 0 0 0 0 0 0 0 0 0 PRESSAVG: 716200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 716200 0 0 0 0 0 0 0 0 0 TIMING: 716200 CPU: 2832.07, 0.00394626/step Wall: 2832.07, 0.00394626/step, 1.95537 hours remaining, 112.472656 MB of memory in use. ENERGY: 716200 634.3675 1792.7218 1996.9845 100.5378 1.0163 -1049.8976 0.0000 0.0000 2681.7133 6157.4437 296.2027 3475.7304 6187.8612 296.9283 LDB: ============= START OF LOAD BALANCING ============== 2835.03 LDB: ============== END OF LOAD BALANCING =============== 2835.03 LDB: =============== DONE WITH MIGRATION ================ 2835.03 LDB: ============= START OF LOAD BALANCING ============== 2835.43 LDB: ============== END OF LOAD BALANCING =============== 2835.43 LDB: =============== DONE WITH MIGRATION ================ 2835.43 PRESSURE: 716400 0 0 0 0 0 0 0 0 0 GPRESSURE: 716400 0 0 0 0 0 0 0 0 0 PRESSAVG: 716400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 716400 0 0 0 0 0 0 0 0 0 TIMING: 716400 CPU: 2832.86, 0.00395426/step Wall: 2832.86, 0.00395426/step, 1.95911 hours remaining, 112.472656 MB of memory in use. ENERGY: 716400 663.9486 1802.3331 1964.5372 103.1400 0.8529 -1107.5609 0.0000 0.0000 2779.4206 6206.6716 306.9947 3427.2510 6243.1357 295.5323 PRESSURE: 716600 0 0 0 0 0 0 0 0 0 GPRESSURE: 716600 0 0 0 0 0 0 0 0 0 PRESSAVG: 716600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 716600 0 0 0 0 0 0 0 0 0 TIMING: 716600 CPU: 2833.66, 0.0039529/step Wall: 2833.66, 0.0039529/step, 1.95822 hours remaining, 112.472656 MB of memory in use. ENERGY: 716600 678.5795 1891.8372 1952.6763 100.4740 1.1537 -1015.0027 0.0000 0.0000 2676.4584 6286.1765 295.6223 3609.7181 6317.8586 299.9511 PRESSURE: 716800 0 0 0 0 0 0 0 0 0 GPRESSURE: 716800 0 0 0 0 0 0 0 0 0 PRESSAVG: 716800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 716800 0 0 0 0 0 0 0 0 0 TIMING: 716800 CPU: 2834.45, 0.00395064/step Wall: 2834.45, 0.00395064/step, 1.95689 hours remaining, 112.472656 MB of memory in use. ENERGY: 716800 627.0398 1840.6701 2019.1308 95.9493 2.3689 -1029.6465 0.0000 0.0000 2733.1465 6288.6589 301.8836 3555.5124 6322.2443 301.4759 PRESSURE: 717000 0 0 0 0 0 0 0 0 0 GPRESSURE: 717000 0 0 0 0 0 0 0 0 0 PRESSAVG: 717000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 717000 0 0 0 0 0 0 0 0 0 TIMING: 717000 CPU: 2835.24, 0.00395165/step Wall: 2835.24, 0.00395165/step, 1.95716 hours remaining, 112.472656 MB of memory in use. ENERGY: 717000 646.9737 1856.4117 2005.8451 111.7440 1.0294 -1041.4390 0.0000 0.0000 2719.6217 6300.1866 300.3898 3580.5649 6333.0462 302.6546 PRESSURE: 717200 0 0 0 0 0 0 0 0 0 GPRESSURE: 717200 0 0 0 0 0 0 0 0 0 PRESSAVG: 717200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 717200 0 0 0 0 0 0 0 0 0 TIMING: 717200 CPU: 2836.02, 0.00394356/step Wall: 2836.02, 0.00394356/step, 1.95294 hours remaining, 112.472656 MB of memory in use. ENERGY: 717200 688.0155 1898.4233 2034.8721 98.9543 2.3634 -1094.7073 0.0000 0.0000 2678.3369 6306.2583 295.8298 3627.9214 6338.3294 301.7381 PRESSURE: 717400 0 0 0 0 0 0 0 0 0 GPRESSURE: 717400 0 0 0 0 0 0 0 0 0 PRESSAVG: 717400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 717400 0 0 0 0 0 0 0 0 0 TIMING: 717400 CPU: 2836.81, 0.00394889/step Wall: 2836.81, 0.00394889/step, 1.95536 hours remaining, 112.472656 MB of memory in use. ENERGY: 717400 652.7465 1847.8938 1985.7604 102.8157 3.2175 -1045.7356 0.0000 0.0000 2717.0442 6263.7425 300.1051 3546.6983 6294.4622 299.9864 PRESSURE: 717600 0 0 0 0 0 0 0 0 0 GPRESSURE: 717600 0 0 0 0 0 0 0 0 0 PRESSAVG: 717600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 717600 0 0 0 0 0 0 0 0 0 TIMING: 717600 CPU: 2837.6, 0.00395006/step Wall: 2837.6, 0.00395006/step, 1.95572 hours remaining, 112.472656 MB of memory in use. ENERGY: 717600 698.8218 1802.6319 1993.7951 110.2703 2.2369 -1061.6630 0.0000 0.0000 2680.5946 6226.6876 296.0791 3546.0930 6261.0878 298.8168 PRESSURE: 717800 0 0 0 0 0 0 0 0 0 GPRESSURE: 717800 0 0 0 0 0 0 0 0 0 PRESSAVG: 717800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 717800 0 0 0 0 0 0 0 0 0 TIMING: 717800 CPU: 2838.39, 0.00394874/step Wall: 2838.39, 0.00394874/step, 1.95485 hours remaining, 112.472656 MB of memory in use. ENERGY: 717800 617.8142 1826.1986 1999.1642 117.8393 -0.3079 -1061.3206 0.0000 0.0000 2736.3216 6235.7094 302.2343 3499.3878 6269.3961 298.6082 PRESSURE: 718000 0 0 0 0 0 0 0 0 0 GPRESSURE: 718000 0 0 0 0 0 0 0 0 0 PRESSAVG: 718000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 718000 0 0 0 0 0 0 0 0 0 TIMING: 718000 CPU: 2839.18, 0.00394451/step Wall: 2839.18, 0.00394451/step, 1.95253 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 718000 699.8623 1792.4791 1998.3861 108.0498 1.1048 -1074.1518 0.0000 0.0000 2738.9632 6264.6936 302.5261 3525.7304 6301.8040 300.6723 PRESSURE: 718200 0 0 0 0 0 0 0 0 0 GPRESSURE: 718200 0 0 0 0 0 0 0 0 0 PRESSAVG: 718200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 718200 0 0 0 0 0 0 0 0 0 TIMING: 718200 CPU: 2839.97, 0.00394918/step Wall: 2839.97, 0.00394918/step, 1.95462 hours remaining, 112.472656 MB of memory in use. ENERGY: 718200 702.8500 1849.1909 1986.5993 115.5118 1.7888 -1099.6823 0.0000 0.0000 2748.2032 6304.4617 303.5467 3556.2585 6339.3082 302.7323 PRESSURE: 718400 0 0 0 0 0 0 0 0 0 GPRESSURE: 718400 0 0 0 0 0 0 0 0 0 PRESSAVG: 718400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 718400 0 0 0 0 0 0 0 0 0 TIMING: 718400 CPU: 2840.76, 0.00394941/step Wall: 2840.76, 0.00394941/step, 1.95452 hours remaining, 112.472656 MB of memory in use. ENERGY: 718400 687.6770 1858.1127 1975.8080 106.4524 2.0575 -1130.0428 0.0000 0.0000 2736.4360 6236.5008 302.2470 3500.0648 6269.0361 302.6578 PRESSURE: 718600 0 0 0 0 0 0 0 0 0 GPRESSURE: 718600 0 0 0 0 0 0 0 0 0 PRESSAVG: 718600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 718600 0 0 0 0 0 0 0 0 0 TIMING: 718600 CPU: 2841.55, 0.00395023/step Wall: 2841.55, 0.00395023/step, 1.9547 hours remaining, 112.472656 MB of memory in use. ENERGY: 718600 648.5106 1870.9583 1967.4337 101.3831 2.7823 -1066.4166 0.0000 0.0000 2659.7634 6184.4148 293.7783 3524.6514 6216.1244 297.1534 PRESSURE: 718800 0 0 0 0 0 0 0 0 0 GPRESSURE: 718800 0 0 0 0 0 0 0 0 0 PRESSAVG: 718800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 718800 0 0 0 0 0 0 0 0 0 TIMING: 718800 CPU: 2842.34, 0.00395087/step Wall: 2842.34, 0.00395087/step, 1.95481 hours remaining, 112.472656 MB of memory in use. ENERGY: 718800 650.3227 1873.8238 1986.3028 105.3783 1.5135 -1072.1152 0.0000 0.0000 2670.5430 6215.7690 294.9689 3545.2260 6248.6189 297.4745 PRESSURE: 719000 0 0 0 0 0 0 0 0 0 GPRESSURE: 719000 0 0 0 0 0 0 0 0 0 PRESSAVG: 719000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 719000 0 0 0 0 0 0 0 0 0 TIMING: 719000 CPU: 2843.13, 0.00394608/step Wall: 2843.13, 0.00394608/step, 1.95221 hours remaining, 112.472656 MB of memory in use. ENERGY: 719000 683.7022 1874.4644 2004.0080 94.6490 1.0839 -1101.2075 0.0000 0.0000 2722.0009 6278.7009 300.6526 3556.6999 6311.3593 298.7380 PRESSURE: 719200 0 0 0 0 0 0 0 0 0 GPRESSURE: 719200 0 0 0 0 0 0 0 0 0 PRESSAVG: 719200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 719200 0 0 0 0 0 0 0 0 0 TIMING: 719200 CPU: 2843.92, 0.00394994/step Wall: 2843.92, 0.00394994/step, 1.9539 hours remaining, 112.472656 MB of memory in use. ENERGY: 719200 659.3619 1898.2052 1978.9461 98.8299 1.1050 -1070.9506 0.0000 0.0000 2731.0629 6296.5605 301.6535 3565.4976 6327.7606 302.2392 PRESSURE: 719400 0 0 0 0 0 0 0 0 0 GPRESSURE: 719400 0 0 0 0 0 0 0 0 0 PRESSAVG: 719400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 719400 0 0 0 0 0 0 0 0 0 TIMING: 719400 CPU: 2844.71, 0.00395062/step Wall: 2844.71, 0.00395062/step, 1.95402 hours remaining, 112.472656 MB of memory in use. ENERGY: 719400 642.5627 1917.4772 1974.0440 107.9656 0.4184 -1051.3068 0.0000 0.0000 2695.5489 6286.7101 297.7309 3591.1612 6317.8568 302.1278 PRESSURE: 719600 0 0 0 0 0 0 0 0 0 GPRESSURE: 719600 0 0 0 0 0 0 0 0 0 PRESSAVG: 719600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 719600 0 0 0 0 0 0 0 0 0 TIMING: 719600 CPU: 2845.5, 0.00394919/step Wall: 2845.5, 0.00394919/step, 1.95309 hours remaining, 112.472656 MB of memory in use. ENERGY: 719600 666.4837 1882.3479 1969.8960 110.4617 -0.2382 -1066.6409 0.0000 0.0000 2747.8046 6310.1148 303.5027 3562.3103 6344.4513 301.8605 PRESSURE: 719800 0 0 0 0 0 0 0 0 0 GPRESSURE: 719800 0 0 0 0 0 0 0 0 0 PRESSAVG: 719800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 719800 0 0 0 0 0 0 0 0 0 TIMING: 719800 CPU: 2846.29, 0.00395063/step Wall: 2846.29, 0.00395063/step, 1.95359 hours remaining, 112.472656 MB of memory in use. ENERGY: 719800 700.0923 1880.0916 2001.6218 103.8233 0.6283 -1083.6682 0.0000 0.0000 2709.9816 6312.5707 299.3250 3602.5891 6345.9780 303.6591 PRESSURE: 720000 0 0 0 0 0 0 0 0 0 GPRESSURE: 720000 0 0 0 0 0 0 0 0 0 PRESSAVG: 720000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 720000 0 0 0 0 0 0 0 0 0 TIMING: 720000 CPU: 2847.08, 0.00394757/step Wall: 2847.08, 0.00394757/step, 1.95185 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 720000 676.8430 1862.3569 1976.1033 122.4561 0.1927 -1092.9839 0.0000 0.0000 2739.9179 6284.8860 302.6316 3544.9681 6318.2129 303.3576 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 720000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 720000 WRITING COORDINATES TO RESTART FILE AT STEP 720000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 720000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 720200 0 0 0 0 0 0 0 0 0 GPRESSURE: 720200 0 0 0 0 0 0 0 0 0 PRESSAVG: 720200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 720200 0 0 0 0 0 0 0 0 0 TIMING: 720200 CPU: 2847.91, 0.00413624/step Wall: 2847.91, 0.00413624/step, 2.04491 hours remaining, 112.472656 MB of memory in use. ENERGY: 720200 659.8716 1856.8651 1983.4775 108.0617 0.9943 -1058.2709 0.0000 0.0000 2741.0031 6292.0024 302.7514 3550.9993 6327.2417 302.4466 LDB: ============= START OF LOAD BALANCING ============== 2850.87 LDB: ============== END OF LOAD BALANCING =============== 2850.87 LDB: =============== DONE WITH MIGRATION ================ 2850.87 LDB: ============= START OF LOAD BALANCING ============== 2851.26 LDB: ============== END OF LOAD BALANCING =============== 2851.26 LDB: =============== DONE WITH MIGRATION ================ 2851.26 PRESSURE: 720400 0 0 0 0 0 0 0 0 0 GPRESSURE: 720400 0 0 0 0 0 0 0 0 0 PRESSAVG: 720400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 720400 0 0 0 0 0 0 0 0 0 TIMING: 720400 CPU: 2848.7, 0.00395398/step Wall: 2848.7, 0.00395398/step, 1.95458 hours remaining, 112.472656 MB of memory in use. ENERGY: 720400 673.0901 1900.1846 1966.8790 93.5085 -0.1815 -1098.2342 0.0000 0.0000 2753.9034 6289.1499 304.1763 3535.2465 6322.7617 301.8422 PRESSURE: 720600 0 0 0 0 0 0 0 0 0 GPRESSURE: 720600 0 0 0 0 0 0 0 0 0 PRESSAVG: 720600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 720600 0 0 0 0 0 0 0 0 0 TIMING: 720600 CPU: 2849.49, 0.00395028/step Wall: 2849.49, 0.00395028/step, 1.95253 hours remaining, 112.472656 MB of memory in use. ENERGY: 720600 672.3232 1868.7537 1979.4902 119.4972 1.4433 -1118.4957 0.0000 0.0000 2738.0321 6261.0441 302.4233 3523.0120 6298.2902 301.6966 PRESSURE: 720800 0 0 0 0 0 0 0 0 0 GPRESSURE: 720800 0 0 0 0 0 0 0 0 0 PRESSAVG: 720800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 720800 0 0 0 0 0 0 0 0 0 TIMING: 720800 CPU: 2850.28, 0.00394735/step Wall: 2850.28, 0.00394735/step, 1.95087 hours remaining, 112.472656 MB of memory in use. ENERGY: 720800 663.0567 1879.3042 2011.7613 112.2204 0.4665 -1087.1214 0.0000 0.0000 2647.4053 6227.0930 292.4133 3579.6878 6258.6066 299.8146 PRESSURE: 721000 0 0 0 0 0 0 0 0 0 GPRESSURE: 721000 0 0 0 0 0 0 0 0 0 PRESSAVG: 721000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 721000 0 0 0 0 0 0 0 0 0 TIMING: 721000 CPU: 2851.07, 0.00394703/step Wall: 2851.07, 0.00394703/step, 1.95049 hours remaining, 112.472656 MB of memory in use. ENERGY: 721000 661.4381 1843.1516 2003.0332 111.3207 0.3548 -1082.6089 0.0000 0.0000 2723.5888 6260.2782 300.8280 3536.6894 6293.9033 299.4344 PRESSURE: 721200 0 0 0 0 0 0 0 0 0 GPRESSURE: 721200 0 0 0 0 0 0 0 0 0 PRESSAVG: 721200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 721200 0 0 0 0 0 0 0 0 0 TIMING: 721200 CPU: 2851.86, 0.0039502/step Wall: 2851.86, 0.0039502/step, 1.95184 hours remaining, 112.472656 MB of memory in use. ENERGY: 721200 655.2969 1846.0664 1984.6539 99.1261 -0.1783 -1068.2743 0.0000 0.0000 2741.3594 6258.0502 302.7908 3516.6907 6291.4906 300.2964 PRESSURE: 721400 0 0 0 0 0 0 0 0 0 GPRESSURE: 721400 0 0 0 0 0 0 0 0 0 PRESSAVG: 721400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 721400 0 0 0 0 0 0 0 0 0 TIMING: 721400 CPU: 2852.65, 0.00394849/step Wall: 2852.65, 0.00394849/step, 1.95077 hours remaining, 112.472656 MB of memory in use. ENERGY: 721400 667.8833 1839.7875 2052.4575 103.4896 1.0714 -1073.4291 0.0000 0.0000 2707.5832 6298.8434 299.0601 3591.2602 6330.7908 302.6263 PRESSURE: 721600 0 0 0 0 0 0 0 0 0 GPRESSURE: 721600 0 0 0 0 0 0 0 0 0 PRESSAVG: 721600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 721600 0 0 0 0 0 0 0 0 0 TIMING: 721600 CPU: 2853.44, 0.00394871/step Wall: 2853.44, 0.00394871/step, 1.95066 hours remaining, 112.472656 MB of memory in use. ENERGY: 721600 653.4987 1839.3877 1967.0513 113.5622 1.6197 -1065.8964 0.0000 0.0000 2728.4035 6237.6267 301.3598 3509.2232 6272.6046 300.1081 PRESSURE: 721800 0 0 0 0 0 0 0 0 0 GPRESSURE: 721800 0 0 0 0 0 0 0 0 0 PRESSAVG: 721800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 721800 0 0 0 0 0 0 0 0 0 TIMING: 721800 CPU: 2854.23, 0.00394521/step Wall: 2854.23, 0.00394521/step, 1.94871 hours remaining, 112.472656 MB of memory in use. ENERGY: 721800 652.8324 1811.8006 1971.9194 109.1930 1.1099 -1064.1183 0.0000 0.0000 2760.3256 6243.0627 304.8857 3482.7371 6276.4138 300.9511 PRESSURE: 722000 0 0 0 0 0 0 0 0 0 GPRESSURE: 722000 0 0 0 0 0 0 0 0 0 PRESSAVG: 722000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 722000 0 0 0 0 0 0 0 0 0 TIMING: 722000 CPU: 2855.02, 0.00394856/step Wall: 2855.02, 0.00394856/step, 1.95015 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 722000 666.3249 1887.0624 1977.0334 105.9273 1.4405 -1074.6135 0.0000 0.0000 2749.5513 6312.7263 303.6956 3563.1750 6346.4498 303.9691 PRESSURE: 722200 0 0 0 0 0 0 0 0 0 GPRESSURE: 722200 0 0 0 0 0 0 0 0 0 PRESSAVG: 722200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 722200 0 0 0 0 0 0 0 0 0 TIMING: 722200 CPU: 2855.81, 0.00394578/step Wall: 2855.81, 0.00394578/step, 1.94856 hours remaining, 112.472656 MB of memory in use. ENERGY: 722200 660.6867 1897.4289 2000.0859 123.1345 1.1683 -1108.0503 0.0000 0.0000 2734.8584 6309.3124 302.0727 3574.4540 6342.4767 304.0844 PRESSURE: 722400 0 0 0 0 0 0 0 0 0 GPRESSURE: 722400 0 0 0 0 0 0 0 0 0 PRESSAVG: 722400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 722400 0 0 0 0 0 0 0 0 0 TIMING: 722400 CPU: 2856.59, 0.00394524/step Wall: 2856.59, 0.00394524/step, 1.94807 hours remaining, 112.472656 MB of memory in use. ENERGY: 722400 702.3729 1841.0481 2008.2108 109.7509 0.8776 -1042.1434 0.0000 0.0000 2686.5789 6306.6958 296.7401 3620.1169 6336.4459 303.1621 PRESSURE: 722600 0 0 0 0 0 0 0 0 0 GPRESSURE: 722600 0 0 0 0 0 0 0 0 0 PRESSAVG: 722600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 722600 0 0 0 0 0 0 0 0 0 TIMING: 722600 CPU: 2857.38, 0.00394643/step Wall: 2857.38, 0.00394643/step, 1.94844 hours remaining, 112.472656 MB of memory in use. ENERGY: 722600 613.9162 1849.1986 2000.9395 108.1428 1.0416 -1058.8459 0.0000 0.0000 2776.9138 6291.3065 306.7179 3514.3927 6324.2719 301.9723 PRESSURE: 722800 0 0 0 0 0 0 0 0 0 GPRESSURE: 722800 0 0 0 0 0 0 0 0 0 PRESSAVG: 722800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 722800 0 0 0 0 0 0 0 0 0 TIMING: 722800 CPU: 2858.17, 0.00394605/step Wall: 2858.17, 0.00394604/step, 1.94803 hours remaining, 112.472656 MB of memory in use. ENERGY: 722800 635.1490 1882.5516 1998.4126 110.2407 2.3277 -1075.3595 0.0000 0.0000 2728.4716 6281.7937 301.3673 3553.3221 6315.0102 302.8127 PRESSURE: 723000 0 0 0 0 0 0 0 0 0 GPRESSURE: 723000 0 0 0 0 0 0 0 0 0 PRESSAVG: 723000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 723000 0 0 0 0 0 0 0 0 0 TIMING: 723000 CPU: 2858.96, 0.00395483/step Wall: 2858.96, 0.00395484/step, 1.95215 hours remaining, 112.472656 MB of memory in use. ENERGY: 723000 653.2969 1844.9053 2001.8616 105.1172 1.4692 -1114.7754 0.0000 0.0000 2757.2672 6249.1421 304.5478 3491.8749 6283.7113 301.3368 PRESSURE: 723200 0 0 0 0 0 0 0 0 0 GPRESSURE: 723200 0 0 0 0 0 0 0 0 0 PRESSAVG: 723200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 723200 0 0 0 0 0 0 0 0 0 TIMING: 723200 CPU: 2859.75, 0.00394626/step Wall: 2859.75, 0.00394626/step, 1.9477 hours remaining, 112.472656 MB of memory in use. ENERGY: 723200 654.8747 1866.3228 2017.7310 97.8225 1.5284 -1074.5630 0.0000 0.0000 2686.6312 6250.3476 296.7459 3563.7164 6282.1017 300.3939 PRESSURE: 723400 0 0 0 0 0 0 0 0 0 GPRESSURE: 723400 0 0 0 0 0 0 0 0 0 PRESSAVG: 723400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 723400 0 0 0 0 0 0 0 0 0 TIMING: 723400 CPU: 2860.54, 0.00394621/step Wall: 2860.54, 0.00394621/step, 1.94745 hours remaining, 112.472656 MB of memory in use. ENERGY: 723400 660.9177 1794.9889 1995.2529 100.7250 1.2596 -1072.1976 0.0000 0.0000 2699.9668 6180.9134 298.2189 3480.9466 6214.7639 297.9412 PRESSURE: 723600 0 0 0 0 0 0 0 0 0 GPRESSURE: 723600 0 0 0 0 0 0 0 0 0 PRESSAVG: 723600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 723600 0 0 0 0 0 0 0 0 0 TIMING: 723600 CPU: 2861.33, 0.00394696/step Wall: 2861.33, 0.00394696/step, 1.9476 hours remaining, 112.472656 MB of memory in use. ENERGY: 723600 641.2220 1787.0287 1994.3687 109.3772 2.1208 -1089.6720 0.0000 0.0000 2727.0326 6171.4779 301.2083 3444.4454 6204.0171 298.2131 PRESSURE: 723800 0 0 0 0 0 0 0 0 0 GPRESSURE: 723800 0 0 0 0 0 0 0 0 0 PRESSAVG: 723800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 723800 0 0 0 0 0 0 0 0 0 TIMING: 723800 CPU: 2862.12, 0.00396128/step Wall: 2862.12, 0.00396128/step, 1.95445 hours remaining, 112.472656 MB of memory in use. ENERGY: 723800 627.5994 1853.4452 1995.9132 116.6528 -0.0966 -1101.2980 0.0000 0.0000 2741.6898 6233.9059 302.8273 3492.2160 6269.6577 297.9638 PRESSURE: 724000 0 0 0 0 0 0 0 0 0 GPRESSURE: 724000 0 0 0 0 0 0 0 0 0 PRESSAVG: 724000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 724000 0 0 0 0 0 0 0 0 0 TIMING: 724000 CPU: 2862.91, 0.00394882/step Wall: 2862.91, 0.00394881/step, 1.94808 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 724000 649.1665 1877.2106 2005.9598 124.8667 1.4104 -1111.2790 0.0000 0.0000 2667.3677 6214.7028 294.6182 3547.3351 6244.5008 298.1240 PRESSURE: 724200 0 0 0 0 0 0 0 0 0 GPRESSURE: 724200 0 0 0 0 0 0 0 0 0 PRESSAVG: 724200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 724200 0 0 0 0 0 0 0 0 0 TIMING: 724200 CPU: 2863.71, 0.00396227/step Wall: 2863.71, 0.00396227/step, 1.9545 hours remaining, 112.472656 MB of memory in use. ENERGY: 724200 640.0660 1812.9414 1978.4432 105.7032 1.6211 -1096.0566 0.0000 0.0000 2716.2578 6158.9762 300.0182 3442.7183 6189.0182 297.1297 LDB: ============= START OF LOAD BALANCING ============== 2866.67 LDB: ============== END OF LOAD BALANCING =============== 2866.67 LDB: =============== DONE WITH MIGRATION ================ 2866.67 LDB: ============= START OF LOAD BALANCING ============== 2867.06 LDB: ============== END OF LOAD BALANCING =============== 2867.06 LDB: =============== DONE WITH MIGRATION ================ 2867.06 PRESSURE: 724400 0 0 0 0 0 0 0 0 0 GPRESSURE: 724400 0 0 0 0 0 0 0 0 0 PRESSAVG: 724400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 724400 0 0 0 0 0 0 0 0 0 TIMING: 724400 CPU: 2864.5, 0.00395563/step Wall: 2864.5, 0.00395563/step, 1.951 hours remaining, 112.472656 MB of memory in use. ENERGY: 724400 662.9020 1822.8731 1985.7127 110.2747 0.9036 -1076.0548 0.0000 0.0000 2679.5990 6186.2104 295.9692 3506.6114 6215.8255 296.4162 PRESSURE: 724600 0 0 0 0 0 0 0 0 0 GPRESSURE: 724600 0 0 0 0 0 0 0 0 0 PRESSAVG: 724600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 724600 0 0 0 0 0 0 0 0 0 TIMING: 724600 CPU: 2865.29, 0.00395231/step Wall: 2865.29, 0.00395231/step, 1.94915 hours remaining, 112.472656 MB of memory in use. ENERGY: 724600 646.0584 1847.4667 1969.4971 100.7299 0.1411 -1073.1228 0.0000 0.0000 2687.8599 6178.6303 296.8816 3490.7704 6211.1348 298.0985 PRESSURE: 724800 0 0 0 0 0 0 0 0 0 GPRESSURE: 724800 0 0 0 0 0 0 0 0 0 PRESSAVG: 724800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 724800 0 0 0 0 0 0 0 0 0 TIMING: 724800 CPU: 2866.08, 0.0039476/step Wall: 2866.08, 0.0039476/step, 1.9466 hours remaining, 112.472656 MB of memory in use. ENERGY: 724800 652.7712 1836.8003 1985.5558 106.4828 0.2481 -1080.6266 0.0000 0.0000 2736.7856 6238.0171 302.2856 3501.2316 6272.7696 297.6267 PRESSURE: 725000 0 0 0 0 0 0 0 0 0 GPRESSURE: 725000 0 0 0 0 0 0 0 0 0 PRESSAVG: 725000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 725000 0 0 0 0 0 0 0 0 0 TIMING: 725000 CPU: 2866.87, 0.00394702/step Wall: 2866.87, 0.00394702/step, 1.9461 hours remaining, 112.472656 MB of memory in use. ENERGY: 725000 682.0215 1864.7952 1980.6757 126.6179 1.0785 -1116.1637 0.0000 0.0000 2728.5713 6267.5965 301.3783 3539.0252 6302.1814 302.4606 PRESSURE: 725200 0 0 0 0 0 0 0 0 0 GPRESSURE: 725200 0 0 0 0 0 0 0 0 0 PRESSAVG: 725200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 725200 0 0 0 0 0 0 0 0 0 TIMING: 725200 CPU: 2867.66, 0.00394845/step Wall: 2867.66, 0.00394845/step, 1.94659 hours remaining, 112.472656 MB of memory in use. ENERGY: 725200 607.8346 1868.8901 1977.1900 114.2993 1.4578 -1048.3538 0.0000 0.0000 2789.2614 6310.5794 308.0817 3521.3180 6343.3431 303.6473 PRESSURE: 725400 0 0 0 0 0 0 0 0 0 GPRESSURE: 725400 0 0 0 0 0 0 0 0 0 PRESSAVG: 725400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 725400 0 0 0 0 0 0 0 0 0 TIMING: 725400 CPU: 2868.45, 0.00394744/step Wall: 2868.45, 0.00394744/step, 1.94587 hours remaining, 112.472656 MB of memory in use. ENERGY: 725400 659.1091 1878.2400 1967.8371 111.4658 3.0727 -1054.4720 0.0000 0.0000 2670.1492 6235.4020 294.9254 3565.2529 6266.3209 301.0388 PRESSURE: 725600 0 0 0 0 0 0 0 0 0 GPRESSURE: 725600 0 0 0 0 0 0 0 0 0 PRESSAVG: 725600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 725600 0 0 0 0 0 0 0 0 0 TIMING: 725600 CPU: 2869.24, 0.00394757/step Wall: 2869.24, 0.00394757/step, 1.94571 hours remaining, 112.472656 MB of memory in use. ENERGY: 725600 659.5149 1839.7631 2002.5515 113.7739 2.6425 -1093.1983 0.0000 0.0000 2689.4610 6214.5087 297.0585 3525.0476 6248.6981 299.0240 PRESSURE: 725800 0 0 0 0 0 0 0 0 0 GPRESSURE: 725800 0 0 0 0 0 0 0 0 0 PRESSAVG: 725800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 725800 0 0 0 0 0 0 0 0 0 TIMING: 725800 CPU: 2870.03, 0.00394701/step Wall: 2870.03, 0.00394701/step, 1.94522 hours remaining, 112.472656 MB of memory in use. ENERGY: 725800 683.7033 1778.1930 2000.5473 105.7115 2.4232 -1117.7961 0.0000 0.0000 2819.9605 6272.7428 311.4725 3452.7822 6308.0154 300.0049 PRESSURE: 726000 0 0 0 0 0 0 0 0 0 GPRESSURE: 726000 0 0 0 0 0 0 0 0 0 PRESSAVG: 726000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 726000 0 0 0 0 0 0 0 0 0 TIMING: 726000 CPU: 2870.81, 0.00394623/step Wall: 2870.81, 0.00394622/step, 1.94461 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 726000 671.2038 1847.7671 1973.8495 108.4511 0.8649 -1095.2553 0.0000 0.0000 2796.1839 6303.0650 308.8463 3506.8812 6338.1684 304.7660 PRESSURE: 726200 0 0 0 0 0 0 0 0 0 GPRESSURE: 726200 0 0 0 0 0 0 0 0 0 PRESSAVG: 726200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 726200 0 0 0 0 0 0 0 0 0 TIMING: 726200 CPU: 2871.6, 0.00394785/step Wall: 2871.6, 0.00394786/step, 1.9452 hours remaining, 112.472656 MB of memory in use. ENERGY: 726200 653.1417 1846.2926 1996.8246 111.9851 1.2569 -1072.0159 0.0000 0.0000 2740.8464 6278.3314 302.7341 3537.4850 6312.1641 302.7667 PRESSURE: 726400 0 0 0 0 0 0 0 0 0 GPRESSURE: 726400 0 0 0 0 0 0 0 0 0 PRESSAVG: 726400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 726400 0 0 0 0 0 0 0 0 0 TIMING: 726400 CPU: 2872.39, 0.00394629/step Wall: 2872.39, 0.00394629/step, 1.94421 hours remaining, 112.472656 MB of memory in use. ENERGY: 726400 700.1123 1857.2421 2013.3865 107.7586 1.3459 -1095.8174 0.0000 0.0000 2717.6892 6301.7173 300.1763 3584.0280 6334.8824 301.8909 PRESSURE: 726600 0 0 0 0 0 0 0 0 0 GPRESSURE: 726600 0 0 0 0 0 0 0 0 0 PRESSAVG: 726600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 726600 0 0 0 0 0 0 0 0 0 TIMING: 726600 CPU: 2873.18, 0.00394649/step Wall: 2873.18, 0.00394649/step, 1.94408 hours remaining, 112.472656 MB of memory in use. ENERGY: 726600 678.2993 1890.6623 1980.0368 110.6049 0.5930 -1076.8524 0.0000 0.0000 2693.5786 6276.9224 297.5133 3583.3438 6306.9308 301.4282 PRESSURE: 726800 0 0 0 0 0 0 0 0 0 GPRESSURE: 726800 0 0 0 0 0 0 0 0 0 PRESSAVG: 726800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 726800 0 0 0 0 0 0 0 0 0 TIMING: 726800 CPU: 2873.97, 0.00394713/step Wall: 2873.97, 0.00394713/step, 1.94418 hours remaining, 112.472656 MB of memory in use. ENERGY: 726800 647.5963 1881.3629 1968.5436 108.7941 0.6914 -1033.6947 0.0000 0.0000 2730.9153 6304.2088 301.6372 3573.2935 6334.4781 302.8685 PRESSURE: 727000 0 0 0 0 0 0 0 0 0 GPRESSURE: 727000 0 0 0 0 0 0 0 0 0 PRESSAVG: 727000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 727000 0 0 0 0 0 0 0 0 0 TIMING: 727000 CPU: 2874.76, 0.00394686/step Wall: 2874.76, 0.00394686/step, 1.94383 hours remaining, 112.472656 MB of memory in use. ENERGY: 727000 642.3691 1869.6531 1993.5375 103.7173 1.1213 -1081.4065 0.0000 0.0000 2711.4347 6240.4265 299.4855 3528.9919 6277.1988 300.8273 PRESSURE: 727200 0 0 0 0 0 0 0 0 0 GPRESSURE: 727200 0 0 0 0 0 0 0 0 0 PRESSAVG: 727200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 727200 0 0 0 0 0 0 0 0 0 TIMING: 727200 CPU: 2875.55, 0.00394644/step Wall: 2875.55, 0.00394644/step, 1.9434 hours remaining, 112.472656 MB of memory in use. ENERGY: 727200 669.1895 1881.4762 2017.8386 120.1308 1.1742 -1123.9019 0.0000 0.0000 2708.7797 6274.6871 299.1923 3565.9074 6306.2924 299.7769 PRESSURE: 727400 0 0 0 0 0 0 0 0 0 GPRESSURE: 727400 0 0 0 0 0 0 0 0 0 PRESSAVG: 727400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 727400 0 0 0 0 0 0 0 0 0 TIMING: 727400 CPU: 2876.34, 0.00394572/step Wall: 2876.34, 0.00394572/step, 1.94283 hours remaining, 112.472656 MB of memory in use. ENERGY: 727400 633.8954 1872.1095 1985.1875 102.1842 0.8986 -1052.9772 0.0000 0.0000 2723.7852 6265.0833 300.8497 3541.2980 6298.3122 302.1228 PRESSURE: 727600 0 0 0 0 0 0 0 0 0 GPRESSURE: 727600 0 0 0 0 0 0 0 0 0 PRESSAVG: 727600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 727600 0 0 0 0 0 0 0 0 0 TIMING: 727600 CPU: 2877.13, 0.00394419/step Wall: 2877.13, 0.00394419/step, 1.94186 hours remaining, 112.472656 MB of memory in use. ENERGY: 727600 644.4557 1871.1985 1971.9115 106.1768 1.7687 -1108.4208 0.0000 0.0000 2750.8681 6237.9585 303.8410 3487.0904 6274.6727 301.7696 PRESSURE: 727800 0 0 0 0 0 0 0 0 0 GPRESSURE: 727800 0 0 0 0 0 0 0 0 0 PRESSAVG: 727800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 727800 0 0 0 0 0 0 0 0 0 TIMING: 727800 CPU: 2877.92, 0.00394524/step Wall: 2877.92, 0.00394524/step, 1.94215 hours remaining, 112.472656 MB of memory in use. ENERGY: 727800 656.2402 1866.0057 2010.3836 86.8881 2.0094 -1104.5899 0.0000 0.0000 2665.6049 6182.5421 294.4235 3516.9372 6214.1308 298.0681 PRESSURE: 728000 0 0 0 0 0 0 0 0 0 GPRESSURE: 728000 0 0 0 0 0 0 0 0 0 PRESSAVG: 728000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 728000 0 0 0 0 0 0 0 0 0 TIMING: 728000 CPU: 2878.71, 0.00394634/step Wall: 2878.71, 0.00394634/step, 1.94247 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 728000 666.4641 1825.2337 1958.7313 102.3348 1.0055 -1068.0580 0.0000 0.0000 2716.5043 6202.2156 300.0455 3485.7113 6235.2360 297.7290 PRESSURE: 728200 0 0 0 0 0 0 0 0 0 GPRESSURE: 728200 0 0 0 0 0 0 0 0 0 PRESSAVG: 728200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 728200 0 0 0 0 0 0 0 0 0 TIMING: 728200 CPU: 2879.5, 0.00394601/step Wall: 2879.5, 0.00394601/step, 1.94209 hours remaining, 112.472656 MB of memory in use. ENERGY: 728200 657.2519 1848.3813 2002.6677 106.6370 0.7361 -1072.3660 0.0000 0.0000 2646.8247 6190.1327 292.3492 3543.3079 6219.9103 299.4124 LDB: ============= START OF LOAD BALANCING ============== 2882.46 LDB: ============== END OF LOAD BALANCING =============== 2882.46 LDB: =============== DONE WITH MIGRATION ================ 2882.46 LDB: ============= START OF LOAD BALANCING ============== 2882.85 LDB: ============== END OF LOAD BALANCING =============== 2882.85 LDB: =============== DONE WITH MIGRATION ================ 2882.85 PRESSURE: 728400 0 0 0 0 0 0 0 0 0 GPRESSURE: 728400 0 0 0 0 0 0 0 0 0 PRESSAVG: 728400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 728400 0 0 0 0 0 0 0 0 0 TIMING: 728400 CPU: 2880.29, 0.00394947/step Wall: 2880.29, 0.00394947/step, 1.94358 hours remaining, 112.472656 MB of memory in use. ENERGY: 728400 666.6902 1742.2333 1989.7585 111.8409 0.7819 -1030.9746 0.0000 0.0000 2736.2502 6216.5804 302.2265 3480.3302 6250.9283 298.9972 PRESSURE: 728600 0 0 0 0 0 0 0 0 0 GPRESSURE: 728600 0 0 0 0 0 0 0 0 0 PRESSAVG: 728600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 728600 0 0 0 0 0 0 0 0 0 TIMING: 728600 CPU: 2881.08, 0.00394804/step Wall: 2881.08, 0.00394804/step, 1.94265 hours remaining, 112.472656 MB of memory in use. ENERGY: 728600 638.0813 1844.3831 1981.0714 108.4763 0.4872 -1075.4978 0.0000 0.0000 2717.9128 6214.9143 300.2010 3497.0014 6250.3846 299.1409 PRESSURE: 728800 0 0 0 0 0 0 0 0 0 GPRESSURE: 728800 0 0 0 0 0 0 0 0 0 PRESSAVG: 728800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 728800 0 0 0 0 0 0 0 0 0 TIMING: 728800 CPU: 2881.86, 0.00394544/step Wall: 2881.86, 0.00394544/step, 1.94115 hours remaining, 112.472656 MB of memory in use. ENERGY: 728800 650.4303 1806.8082 1977.8362 102.2912 1.3404 -1068.6442 0.0000 0.0000 2776.2819 6246.3439 306.6481 3470.0620 6283.8301 301.5960 PRESSURE: 729000 0 0 0 0 0 0 0 0 0 GPRESSURE: 729000 0 0 0 0 0 0 0 0 0 PRESSAVG: 729000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 729000 0 0 0 0 0 0 0 0 0 TIMING: 729000 CPU: 2882.65, 0.00394691/step Wall: 2882.65, 0.00394691/step, 1.94166 hours remaining, 112.472656 MB of memory in use. ENERGY: 729000 675.7045 1853.4601 1956.6904 112.5072 0.0323 -1081.1216 0.0000 0.0000 2763.9042 6281.1771 305.2809 3517.2729 6315.7974 301.0747 PRESSURE: 729200 0 0 0 0 0 0 0 0 0 GPRESSURE: 729200 0 0 0 0 0 0 0 0 0 PRESSAVG: 729200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 729200 0 0 0 0 0 0 0 0 0 TIMING: 729200 CPU: 2883.44, 0.0039459/step Wall: 2883.44, 0.0039459/step, 1.94094 hours remaining, 112.472656 MB of memory in use. ENERGY: 729200 667.4475 1829.2477 1994.5557 98.4775 -0.7063 -1053.7092 0.0000 0.0000 2721.6707 6256.9837 300.6161 3535.3130 6293.9217 303.1805 PRESSURE: 729400 0 0 0 0 0 0 0 0 0 GPRESSURE: 729400 0 0 0 0 0 0 0 0 0 PRESSAVG: 729400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 729400 0 0 0 0 0 0 0 0 0 TIMING: 729400 CPU: 2884.23, 0.00394572/step Wall: 2884.23, 0.00394572/step, 1.94064 hours remaining, 112.472656 MB of memory in use. ENERGY: 729400 640.2083 1852.7251 1998.3407 123.8534 0.5697 -1074.2202 0.0000 0.0000 2735.1789 6276.6559 302.1081 3541.4770 6309.9854 300.7863 PRESSURE: 729600 0 0 0 0 0 0 0 0 0 GPRESSURE: 729600 0 0 0 0 0 0 0 0 0 PRESSAVG: 729600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 729600 0 0 0 0 0 0 0 0 0 TIMING: 729600 CPU: 2885.02, 0.00394632/step Wall: 2885.02, 0.00394632/step, 1.94071 hours remaining, 112.472656 MB of memory in use. ENERGY: 729600 668.0613 1882.7505 1983.7600 122.8091 0.0498 -1082.0530 0.0000 0.0000 2719.3008 6294.6785 300.3543 3575.3777 6327.2566 302.3823 PRESSURE: 729800 0 0 0 0 0 0 0 0 0 GPRESSURE: 729800 0 0 0 0 0 0 0 0 0 PRESSAVG: 729800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 729800 0 0 0 0 0 0 0 0 0 TIMING: 729800 CPU: 2885.81, 0.00394566/step Wall: 2885.81, 0.00394566/step, 1.94017 hours remaining, 112.472656 MB of memory in use. ENERGY: 729800 693.2707 1846.1993 1987.0413 100.6994 1.5848 -1044.2223 0.0000 0.0000 2744.6225 6329.1957 303.1512 3584.5732 6363.1278 302.1411 PRESSURE: 730000 0 0 0 0 0 0 0 0 0 GPRESSURE: 730000 0 0 0 0 0 0 0 0 0 PRESSAVG: 730000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 730000 0 0 0 0 0 0 0 0 0 TIMING: 730000 CPU: 2886.6, 0.0039465/step Wall: 2886.6, 0.0039465/step, 1.94036 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 730000 659.6425 1858.9117 1990.2516 109.1834 0.5322 -1065.5913 0.0000 0.0000 2686.6416 6239.5717 296.7470 3552.9301 6272.1448 301.1040 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 730000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 730000 WRITING COORDINATES TO RESTART FILE AT STEP 730000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 730000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 730200 0 0 0 0 0 0 0 0 0 GPRESSURE: 730200 0 0 0 0 0 0 0 0 0 PRESSAVG: 730200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 730200 0 0 0 0 0 0 0 0 0 TIMING: 730200 CPU: 2887.43, 0.00415274/step Wall: 2887.43, 0.00415274/step, 2.04153 hours remaining, 112.472656 MB of memory in use. ENERGY: 730200 668.1441 1847.9915 1980.9732 119.9821 2.1721 -1070.7583 0.0000 0.0000 2718.6940 6267.1988 300.2873 3548.5047 6301.5615 299.9018 PRESSURE: 730400 0 0 0 0 0 0 0 0 0 GPRESSURE: 730400 0 0 0 0 0 0 0 0 0 PRESSAVG: 730400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 730400 0 0 0 0 0 0 0 0 0 TIMING: 730400 CPU: 2888.22, 0.00394714/step Wall: 2888.22, 0.00394714/step, 1.94024 hours remaining, 112.472656 MB of memory in use. ENERGY: 730400 654.8401 1793.9685 1981.2754 106.0907 1.8943 -1073.0677 0.0000 0.0000 2765.0406 6230.0419 305.4064 3465.0013 6266.1232 298.7917 PRESSURE: 730600 0 0 0 0 0 0 0 0 0 GPRESSURE: 730600 0 0 0 0 0 0 0 0 0 PRESSAVG: 730600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 730600 0 0 0 0 0 0 0 0 0 TIMING: 730600 CPU: 2889.01, 0.00394583/step Wall: 2889.01, 0.00394583/step, 1.93938 hours remaining, 112.472656 MB of memory in use. ENERGY: 730600 680.7385 1854.0216 1972.6791 113.7128 0.9601 -1079.2136 0.0000 0.0000 2692.8360 6235.7346 297.4312 3542.8985 6268.0992 299.9970 PRESSURE: 730800 0 0 0 0 0 0 0 0 0 GPRESSURE: 730800 0 0 0 0 0 0 0 0 0 PRESSAVG: 730800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 730800 0 0 0 0 0 0 0 0 0 TIMING: 730800 CPU: 2889.8, 0.00394832/step Wall: 2889.8, 0.00394832/step, 1.94038 hours remaining, 112.472656 MB of memory in use. ENERGY: 730800 632.3294 1844.9565 2012.6057 109.2079 1.8572 -1067.3855 0.0000 0.0000 2658.4553 6192.0264 293.6338 3533.5711 6222.8341 299.1437 PRESSURE: 731000 0 0 0 0 0 0 0 0 0 GPRESSURE: 731000 0 0 0 0 0 0 0 0 0 PRESSAVG: 731000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 731000 0 0 0 0 0 0 0 0 0 TIMING: 731000 CPU: 2890.59, 0.00394807/step Wall: 2890.59, 0.00394807/step, 1.94004 hours remaining, 112.472656 MB of memory in use. ENERGY: 731000 643.8944 1844.2008 2019.2239 115.5570 1.5485 -1069.0001 0.0000 0.0000 2689.7438 6245.1683 297.0897 3555.4245 6275.4678 297.5189 PRESSURE: 731200 0 0 0 0 0 0 0 0 0 GPRESSURE: 731200 0 0 0 0 0 0 0 0 0 PRESSAVG: 731200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 731200 0 0 0 0 0 0 0 0 0 TIMING: 731200 CPU: 2891.38, 0.00394744/step Wall: 2891.38, 0.00394744/step, 1.93951 hours remaining, 112.472656 MB of memory in use. ENERGY: 731200 647.6806 1799.3383 2009.2957 111.0723 0.9953 -1047.0564 0.0000 0.0000 2683.4323 6204.7581 296.3926 3521.3257 6234.7617 297.5095 PRESSURE: 731400 0 0 0 0 0 0 0 0 0 GPRESSURE: 731400 0 0 0 0 0 0 0 0 0 PRESSAVG: 731400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 731400 0 0 0 0 0 0 0 0 0 TIMING: 731400 CPU: 2892.17, 0.00394626/step Wall: 2892.17, 0.00394626/step, 1.93871 hours remaining, 112.472656 MB of memory in use. ENERGY: 731400 682.9091 1843.0713 2003.9442 107.2166 0.8783 -1056.1252 0.0000 0.0000 2645.7745 6227.6686 292.2332 3581.8941 6259.4979 298.6392 PRESSURE: 731600 0 0 0 0 0 0 0 0 0 GPRESSURE: 731600 0 0 0 0 0 0 0 0 0 PRESSAVG: 731600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 731600 0 0 0 0 0 0 0 0 0 TIMING: 731600 CPU: 2892.96, 0.00394539/step Wall: 2892.96, 0.00394539/step, 1.93806 hours remaining, 112.472656 MB of memory in use. ENERGY: 731600 668.3776 1878.8269 2004.0627 124.7602 0.8824 -1094.8975 0.0000 0.0000 2695.3130 6277.3254 297.7048 3582.0123 6309.4470 300.8406 PRESSURE: 731800 0 0 0 0 0 0 0 0 0 GPRESSURE: 731800 0 0 0 0 0 0 0 0 0 PRESSAVG: 731800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 731800 0 0 0 0 0 0 0 0 0 TIMING: 731800 CPU: 2893.75, 0.00394706/step Wall: 2893.75, 0.00394706/step, 1.93866 hours remaining, 112.472656 MB of memory in use. ENERGY: 731800 648.4950 1852.0227 2008.1258 110.8386 1.2299 -1080.7253 0.0000 0.0000 2720.2950 6260.2817 300.4642 3539.9868 6297.5629 301.1329 PRESSURE: 732000 0 0 0 0 0 0 0 0 0 GPRESSURE: 732000 0 0 0 0 0 0 0 0 0 PRESSAVG: 732000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 732000 0 0 0 0 0 0 0 0 0 TIMING: 732000 CPU: 2894.54, 0.0039459/step Wall: 2894.54, 0.0039459/step, 1.93788 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 732000 632.5978 1831.4730 1988.7661 95.6178 2.2741 -1064.3416 0.0000 0.0000 2728.8007 6215.1880 301.4036 3486.3873 6250.9809 298.3588 PRESSURE: 732200 0 0 0 0 0 0 0 0 0 GPRESSURE: 732200 0 0 0 0 0 0 0 0 0 PRESSAVG: 732200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 732200 0 0 0 0 0 0 0 0 0 TIMING: 732200 CPU: 2895.32, 0.00394485/step Wall: 2895.32, 0.00394485/step, 1.93714 hours remaining, 112.472656 MB of memory in use. ENERGY: 732200 650.8980 1823.6583 2007.7461 106.4949 1.0421 -1127.3869 0.0000 0.0000 2721.4882 6183.9407 300.5960 3462.4525 6216.4348 296.8021 LDB: ============= START OF LOAD BALANCING ============== 2898.28 LDB: ============== END OF LOAD BALANCING =============== 2898.28 LDB: =============== DONE WITH MIGRATION ================ 2898.28 LDB: ============= START OF LOAD BALANCING ============== 2898.68 LDB: ============== END OF LOAD BALANCING =============== 2898.68 LDB: =============== DONE WITH MIGRATION ================ 2898.68 PRESSURE: 732400 0 0 0 0 0 0 0 0 0 GPRESSURE: 732400 0 0 0 0 0 0 0 0 0 PRESSAVG: 732400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 732400 0 0 0 0 0 0 0 0 0 TIMING: 732400 CPU: 2896.11, 0.00395049/step Wall: 2896.11, 0.00395049/step, 1.93969 hours remaining, 112.472656 MB of memory in use. ENERGY: 732400 625.2137 1802.1640 1993.2749 122.8861 0.1489 -1059.7439 0.0000 0.0000 2682.9633 6166.9070 296.3408 3483.9437 6199.3192 295.6670 PRESSURE: 732600 0 0 0 0 0 0 0 0 0 GPRESSURE: 732600 0 0 0 0 0 0 0 0 0 PRESSAVG: 732600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 732600 0 0 0 0 0 0 0 0 0 TIMING: 732600 CPU: 2896.9, 0.00394511/step Wall: 2896.9, 0.00394511/step, 1.93683 hours remaining, 112.472656 MB of memory in use. ENERGY: 732600 614.1314 1800.5127 1988.4169 122.3083 1.5958 -1078.5037 0.0000 0.0000 2690.4076 6138.8690 297.1630 3448.4614 6173.9455 294.9287 PRESSURE: 732800 0 0 0 0 0 0 0 0 0 GPRESSURE: 732800 0 0 0 0 0 0 0 0 0 PRESSAVG: 732800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 732800 0 0 0 0 0 0 0 0 0 TIMING: 732800 CPU: 2897.69, 0.00394603/step Wall: 2897.69, 0.00394603/step, 1.93706 hours remaining, 112.472656 MB of memory in use. ENERGY: 732800 655.9977 1749.1802 1987.8736 113.0922 1.0527 -1047.2360 0.0000 0.0000 2658.6413 6118.6017 293.6543 3459.9604 6152.9468 294.7032 PRESSURE: 733000 0 0 0 0 0 0 0 0 0 GPRESSURE: 733000 0 0 0 0 0 0 0 0 0 PRESSAVG: 733000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 733000 0 0 0 0 0 0 0 0 0 TIMING: 733000 CPU: 2898.48, 0.00395072/step Wall: 2898.48, 0.00395072/step, 1.93914 hours remaining, 112.472656 MB of memory in use. ENERGY: 733000 690.1628 1844.6639 1993.2255 107.5696 1.8200 -1079.3021 0.0000 0.0000 2630.8175 6188.9573 290.5811 3558.1398 6222.3712 293.9271 PRESSURE: 733200 0 0 0 0 0 0 0 0 0 GPRESSURE: 733200 0 0 0 0 0 0 0 0 0 PRESSAVG: 733200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 733200 0 0 0 0 0 0 0 0 0 TIMING: 733200 CPU: 2899.27, 0.00394518/step Wall: 2899.27, 0.00394518/step, 1.93621 hours remaining, 112.472656 MB of memory in use. ENERGY: 733200 646.6501 1897.6645 2018.0917 106.2867 3.1446 -1068.4912 0.0000 0.0000 2695.3027 6298.6491 297.7037 3603.3464 6331.3574 299.3013 PRESSURE: 733400 0 0 0 0 0 0 0 0 0 GPRESSURE: 733400 0 0 0 0 0 0 0 0 0 PRESSAVG: 733400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 733400 0 0 0 0 0 0 0 0 0 TIMING: 733400 CPU: 2900.06, 0.00394773/step Wall: 2900.06, 0.00394773/step, 1.93724 hours remaining, 112.472656 MB of memory in use. ENERGY: 733400 639.6885 1848.0418 1997.4780 114.0765 2.4321 -1090.3821 0.0000 0.0000 2743.4009 6254.7357 303.0163 3511.3348 6288.1610 301.5708 PRESSURE: 733600 0 0 0 0 0 0 0 0 0 GPRESSURE: 733600 0 0 0 0 0 0 0 0 0 PRESSAVG: 733600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 733600 0 0 0 0 0 0 0 0 0 TIMING: 733600 CPU: 2900.85, 0.00394854/step Wall: 2900.85, 0.00394854/step, 1.93742 hours remaining, 112.472656 MB of memory in use. ENERGY: 733600 711.3939 1849.0425 1982.8409 116.9706 1.3746 -1052.9486 0.0000 0.0000 2701.0401 6309.7141 298.3374 3608.6740 6341.1832 300.3599 PRESSURE: 733800 0 0 0 0 0 0 0 0 0 GPRESSURE: 733800 0 0 0 0 0 0 0 0 0 PRESSAVG: 733800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 733800 0 0 0 0 0 0 0 0 0 TIMING: 733800 CPU: 2901.64, 0.00395088/step Wall: 2901.64, 0.00395088/step, 1.93835 hours remaining, 112.472656 MB of memory in use. ENERGY: 733800 655.3893 1861.8870 2017.2300 108.0908 2.6069 -1049.6997 0.0000 0.0000 2721.7022 6317.2065 300.6196 3595.5043 6352.7036 304.1881 PRESSURE: 734000 0 0 0 0 0 0 0 0 0 GPRESSURE: 734000 0 0 0 0 0 0 0 0 0 PRESSAVG: 734000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 734000 0 0 0 0 0 0 0 0 0 TIMING: 734000 CPU: 2902.43, 0.00394858/step Wall: 2902.43, 0.00394858/step, 1.937 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 734000 662.0324 1847.5039 2040.5974 107.3099 2.4074 -1044.8261 0.0000 0.0000 2760.2572 6375.2822 304.8781 3615.0249 6409.6712 305.2139 PRESSURE: 734200 0 0 0 0 0 0 0 0 0 GPRESSURE: 734200 0 0 0 0 0 0 0 0 0 PRESSAVG: 734200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 734200 0 0 0 0 0 0 0 0 0 TIMING: 734200 CPU: 2903.22, 0.00394484/step Wall: 2903.22, 0.00394484/step, 1.93494 hours remaining, 112.472656 MB of memory in use. ENERGY: 734200 660.7645 1891.4240 1999.4875 114.4346 1.4791 -1051.5393 0.0000 0.0000 2806.3907 6422.4410 309.9737 3616.0504 6455.9243 306.5847 PRESSURE: 734400 0 0 0 0 0 0 0 0 0 GPRESSURE: 734400 0 0 0 0 0 0 0 0 0 PRESSAVG: 734400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 734400 0 0 0 0 0 0 0 0 0 TIMING: 734400 CPU: 2904.01, 0.00394935/step Wall: 2904.01, 0.00394935/step, 1.93694 hours remaining, 112.472656 MB of memory in use. ENERGY: 734400 657.2983 1922.4712 2011.2305 109.4852 1.9286 -1029.6978 0.0000 0.0000 2712.6360 6385.3519 299.6182 3672.7159 6416.2170 307.6616 PRESSURE: 734600 0 0 0 0 0 0 0 0 0 GPRESSURE: 734600 0 0 0 0 0 0 0 0 0 PRESSAVG: 734600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 734600 0 0 0 0 0 0 0 0 0 TIMING: 734600 CPU: 2904.8, 0.00395153/step Wall: 2904.8, 0.00395153/step, 1.93779 hours remaining, 112.472656 MB of memory in use. ENERGY: 734600 622.1130 1882.5104 2013.4675 107.7735 1.7822 -1009.7298 0.0000 0.0000 2746.4980 6364.4148 303.3583 3617.9168 6398.7445 305.2220 PRESSURE: 734800 0 0 0 0 0 0 0 0 0 GPRESSURE: 734800 0 0 0 0 0 0 0 0 0 PRESSAVG: 734800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 734800 0 0 0 0 0 0 0 0 0 TIMING: 734800 CPU: 2905.59, 0.00395272/step Wall: 2905.59, 0.00395272/step, 1.93815 hours remaining, 112.472656 MB of memory in use. ENERGY: 734800 688.5577 1910.1133 1977.5805 98.1005 1.2941 -1053.3229 0.0000 0.0000 2712.6023 6334.9255 299.6145 3622.3231 6369.1071 303.2087 PRESSURE: 735000 0 0 0 0 0 0 0 0 0 GPRESSURE: 735000 0 0 0 0 0 0 0 0 0 PRESSAVG: 735000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 735000 0 0 0 0 0 0 0 0 0 TIMING: 735000 CPU: 2906.38, 0.00394937/step Wall: 2906.38, 0.00394937/step, 1.93629 hours remaining, 112.472656 MB of memory in use. ENERGY: 735000 651.2414 1888.7376 2005.9362 103.9136 1.8656 -1043.5852 0.0000 0.0000 2710.0888 6318.1981 299.3369 3608.1094 6350.2093 303.1879 PRESSURE: 735200 0 0 0 0 0 0 0 0 0 GPRESSURE: 735200 0 0 0 0 0 0 0 0 0 PRESSAVG: 735200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 735200 0 0 0 0 0 0 0 0 0 TIMING: 735200 CPU: 2907.17, 0.00394509/step Wall: 2907.17, 0.00394509/step, 1.93397 hours remaining, 112.472656 MB of memory in use. ENERGY: 735200 658.9170 1881.4843 1997.3593 118.0759 1.7640 -1051.1738 0.0000 0.0000 2711.5710 6317.9977 299.5006 3606.4267 6351.2186 303.7575 PRESSURE: 735400 0 0 0 0 0 0 0 0 0 GPRESSURE: 735400 0 0 0 0 0 0 0 0 0 PRESSAVG: 735400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 735400 0 0 0 0 0 0 0 0 0 TIMING: 735400 CPU: 2907.96, 0.00394844/step Wall: 2907.96, 0.00394844/step, 1.93539 hours remaining, 112.472656 MB of memory in use. ENERGY: 735400 663.4765 1812.5685 2013.3366 112.9263 2.9391 -1042.8851 0.0000 0.0000 2761.3821 6323.7441 305.0023 3562.3620 6358.6348 302.4523 PRESSURE: 735600 0 0 0 0 0 0 0 0 0 GPRESSURE: 735600 0 0 0 0 0 0 0 0 0 PRESSAVG: 735600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 735600 0 0 0 0 0 0 0 0 0 TIMING: 735600 CPU: 2908.75, 0.00395034/step Wall: 2908.75, 0.00395033/step, 1.9361 hours remaining, 112.472656 MB of memory in use. ENERGY: 735600 662.5416 1847.8963 1981.0551 92.0740 1.3322 -1035.1832 0.0000 0.0000 2784.2457 6333.9617 307.5277 3549.7160 6371.2061 303.5694 PRESSURE: 735800 0 0 0 0 0 0 0 0 0 GPRESSURE: 735800 0 0 0 0 0 0 0 0 0 PRESSAVG: 735800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 735800 0 0 0 0 0 0 0 0 0 TIMING: 735800 CPU: 2909.54, 0.0039498/step Wall: 2909.54, 0.00394981/step, 1.93562 hours remaining, 112.472656 MB of memory in use. ENERGY: 735800 700.0702 1835.0235 1998.3635 105.2832 3.0079 -1048.8895 0.0000 0.0000 2702.7433 6295.6021 298.5255 3592.8588 6324.5006 301.5887 PRESSURE: 736000 0 0 0 0 0 0 0 0 0 GPRESSURE: 736000 0 0 0 0 0 0 0 0 0 PRESSAVG: 736000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 736000 0 0 0 0 0 0 0 0 0 TIMING: 736000 CPU: 2910.33, 0.00394264/step Wall: 2910.33, 0.00394264/step, 1.93189 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 736000 685.7747 1853.8865 1973.2516 112.1555 1.0405 -1050.1299 0.0000 0.0000 2714.5245 6290.5032 299.8268 3575.9787 6320.5498 301.0223 PRESSURE: 736200 0 0 0 0 0 0 0 0 0 GPRESSURE: 736200 0 0 0 0 0 0 0 0 0 PRESSAVG: 736200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 736200 0 0 0 0 0 0 0 0 0 TIMING: 736200 CPU: 2911.12, 0.00394889/step Wall: 2911.12, 0.00394889/step, 1.93474 hours remaining, 112.472656 MB of memory in use. ENERGY: 736200 665.9152 1887.4763 1976.9580 99.2605 2.0701 -1053.8879 0.0000 0.0000 2751.3182 6329.1103 303.8908 3577.7921 6359.2038 303.1587 LDB: ============= START OF LOAD BALANCING ============== 2914.08 LDB: ============== END OF LOAD BALANCING =============== 2914.08 LDB: =============== DONE WITH MIGRATION ================ 2914.08 LDB: ============= START OF LOAD BALANCING ============== 2914.47 LDB: ============== END OF LOAD BALANCING =============== 2914.47 LDB: =============== DONE WITH MIGRATION ================ 2914.47 PRESSURE: 736400 0 0 0 0 0 0 0 0 0 GPRESSURE: 736400 0 0 0 0 0 0 0 0 0 PRESSAVG: 736400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 736400 0 0 0 0 0 0 0 0 0 TIMING: 736400 CPU: 2911.91, 0.00395347/step Wall: 2911.91, 0.00395347/step, 1.93676 hours remaining, 112.472656 MB of memory in use. ENERGY: 736400 651.6005 1866.5837 1976.8145 103.5153 3.2917 -1081.3737 0.0000 0.0000 2765.6833 6286.1152 305.4774 3520.4320 6321.1800 303.4284 PRESSURE: 736600 0 0 0 0 0 0 0 0 0 GPRESSURE: 736600 0 0 0 0 0 0 0 0 0 PRESSAVG: 736600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 736600 0 0 0 0 0 0 0 0 0 TIMING: 736600 CPU: 2912.7, 0.00394935/step Wall: 2912.7, 0.00394935/step, 1.93452 hours remaining, 112.472656 MB of memory in use. ENERGY: 736600 663.5550 1801.1519 2007.6219 115.5348 2.2820 -1072.0537 0.0000 0.0000 2805.1154 6323.2073 309.8328 3518.0919 6357.9543 304.0002 PRESSURE: 736800 0 0 0 0 0 0 0 0 0 GPRESSURE: 736800 0 0 0 0 0 0 0 0 0 PRESSAVG: 736800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 736800 0 0 0 0 0 0 0 0 0 TIMING: 736800 CPU: 2913.49, 0.00394753/step Wall: 2913.49, 0.00394753/step, 1.93341 hours remaining, 112.472656 MB of memory in use. ENERGY: 736800 634.4684 1863.9366 2000.2377 104.6392 3.7013 -1078.9336 0.0000 0.0000 2741.9880 6270.0375 302.8602 3528.0495 6307.0968 304.4269 PRESSURE: 737000 0 0 0 0 0 0 0 0 0 GPRESSURE: 737000 0 0 0 0 0 0 0 0 0 PRESSAVG: 737000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 737000 0 0 0 0 0 0 0 0 0 TIMING: 737000 CPU: 2914.28, 0.00394443/step Wall: 2914.28, 0.00394443/step, 1.93167 hours remaining, 112.472656 MB of memory in use. ENERGY: 737000 696.6907 1839.4846 2030.2375 97.9247 4.3236 -1069.3783 0.0000 0.0000 2745.2432 6344.5261 303.2198 3599.2829 6379.3264 305.1163 PRESSURE: 737200 0 0 0 0 0 0 0 0 0 GPRESSURE: 737200 0 0 0 0 0 0 0 0 0 PRESSAVG: 737200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 737200 0 0 0 0 0 0 0 0 0 TIMING: 737200 CPU: 2915.07, 0.00395038/step Wall: 2915.07, 0.00395038/step, 1.93437 hours remaining, 112.472656 MB of memory in use. ENERGY: 737200 647.9920 1790.1305 2031.8273 105.1285 2.7640 -1047.7402 0.0000 0.0000 2778.5090 6308.6111 306.8941 3530.1022 6344.6059 303.3237 PRESSURE: 737400 0 0 0 0 0 0 0 0 0 GPRESSURE: 737400 0 0 0 0 0 0 0 0 0 PRESSAVG: 737400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 737400 0 0 0 0 0 0 0 0 0 TIMING: 737400 CPU: 2915.86, 0.00394965/step Wall: 2915.86, 0.00394965/step, 1.93379 hours remaining, 112.472656 MB of memory in use. ENERGY: 737400 651.9558 1855.3475 2018.9296 115.0550 2.3252 -1106.8979 0.0000 0.0000 2768.8318 6305.5471 305.8252 3536.7153 6339.9040 303.3685 PRESSURE: 737600 0 0 0 0 0 0 0 0 0 GPRESSURE: 737600 0 0 0 0 0 0 0 0 0 PRESSAVG: 737600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 737600 0 0 0 0 0 0 0 0 0 TIMING: 737600 CPU: 2916.65, 0.0039525/step Wall: 2916.65, 0.0039525/step, 1.93497 hours remaining, 112.472656 MB of memory in use. ENERGY: 737600 678.9840 1872.0771 1982.9865 109.8803 3.4487 -1078.1083 0.0000 0.0000 2709.7632 6279.0315 299.3009 3569.2683 6314.2510 302.2952 PRESSURE: 737800 0 0 0 0 0 0 0 0 0 GPRESSURE: 737800 0 0 0 0 0 0 0 0 0 PRESSAVG: 737800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 737800 0 0 0 0 0 0 0 0 0 TIMING: 737800 CPU: 2917.44, 0.00395239/step Wall: 2917.44, 0.00395239/step, 1.93469 hours remaining, 112.472656 MB of memory in use. ENERGY: 737800 644.7139 1843.4383 1985.1698 113.3844 2.6718 -1089.9955 0.0000 0.0000 2755.7780 6255.1608 304.3834 3499.3828 6290.8937 301.8167 PRESSURE: 738000 0 0 0 0 0 0 0 0 0 GPRESSURE: 738000 0 0 0 0 0 0 0 0 0 PRESSAVG: 738000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 738000 0 0 0 0 0 0 0 0 0 TIMING: 738000 CPU: 2918.23, 0.00394615/step Wall: 2918.23, 0.00394615/step, 1.93142 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 738000 656.0865 1823.7176 2015.0620 105.5310 1.9815 -1104.2848 0.0000 0.0000 2754.6947 6252.7887 304.2637 3498.0939 6287.3099 300.7064 PRESSURE: 738200 0 0 0 0 0 0 0 0 0 GPRESSURE: 738200 0 0 0 0 0 0 0 0 0 PRESSAVG: 738200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 738200 0 0 0 0 0 0 0 0 0 TIMING: 738200 CPU: 2919.02, 0.00395141/step Wall: 2919.02, 0.00395141/step, 1.93377 hours remaining, 112.472656 MB of memory in use. ENERGY: 738200 680.1304 1849.3531 2004.2286 109.0185 3.3090 -1090.3713 0.0000 0.0000 2718.9579 6274.6262 300.3165 3555.6683 6305.6267 302.5655 PRESSURE: 738400 0 0 0 0 0 0 0 0 0 GPRESSURE: 738400 0 0 0 0 0 0 0 0 0 PRESSAVG: 738400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 738400 0 0 0 0 0 0 0 0 0 TIMING: 738400 CPU: 2919.81, 0.00395062/step Wall: 2919.81, 0.00395062/step, 1.93317 hours remaining, 112.472656 MB of memory in use. ENERGY: 738400 628.5598 1867.2413 1976.2437 111.0245 2.8217 -1076.6701 0.0000 0.0000 2718.6446 6227.8655 300.2819 3509.2209 6263.0487 301.2440 PRESSURE: 738600 0 0 0 0 0 0 0 0 0 GPRESSURE: 738600 0 0 0 0 0 0 0 0 0 PRESSAVG: 738600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 738600 0 0 0 0 0 0 0 0 0 TIMING: 738600 CPU: 2920.6, 0.00395028/step Wall: 2920.6, 0.00395028/step, 1.93279 hours remaining, 112.472656 MB of memory in use. ENERGY: 738600 684.2118 1864.5028 1974.6061 105.7907 3.0797 -1104.9174 0.0000 0.0000 2688.6398 6215.9135 296.9678 3527.2737 6247.5953 300.2656 PRESSURE: 738800 0 0 0 0 0 0 0 0 0 GPRESSURE: 738800 0 0 0 0 0 0 0 0 0 PRESSAVG: 738800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 738800 0 0 0 0 0 0 0 0 0 TIMING: 738800 CPU: 2921.39, 0.003946/step Wall: 2921.39, 0.003946/step, 1.93047 hours remaining, 112.472656 MB of memory in use. ENERGY: 738800 661.9111 1890.2660 1969.3864 108.9239 3.9642 -1095.5904 0.0000 0.0000 2708.1306 6246.9917 299.1206 3538.8611 6277.2972 300.0397 PRESSURE: 739000 0 0 0 0 0 0 0 0 0 GPRESSURE: 739000 0 0 0 0 0 0 0 0 0 PRESSAVG: 739000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 739000 0 0 0 0 0 0 0 0 0 TIMING: 739000 CPU: 2922.18, 0.00395762/step Wall: 2922.18, 0.00395762/step, 1.93594 hours remaining, 112.472656 MB of memory in use. ENERGY: 739000 673.5186 1838.5365 1988.8139 116.1882 3.1058 -1056.4640 0.0000 0.0000 2713.5197 6277.2187 299.7158 3563.6990 6310.3174 302.6130 PRESSURE: 739200 0 0 0 0 0 0 0 0 0 GPRESSURE: 739200 0 0 0 0 0 0 0 0 0 PRESSAVG: 739200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 739200 0 0 0 0 0 0 0 0 0 TIMING: 739200 CPU: 2922.97, 0.00395331/step Wall: 2922.97, 0.00395331/step, 1.93361 hours remaining, 112.472656 MB of memory in use. ENERGY: 739200 659.8941 1861.8282 1991.6004 107.8542 2.2378 -1033.4528 0.0000 0.0000 2683.8667 6273.8286 296.4405 3589.9620 6302.1222 300.5518 PRESSURE: 739400 0 0 0 0 0 0 0 0 0 GPRESSURE: 739400 0 0 0 0 0 0 0 0 0 PRESSAVG: 739400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 739400 0 0 0 0 0 0 0 0 0 TIMING: 739400 CPU: 2923.76, 0.00395321/step Wall: 2923.76, 0.00395321/step, 1.93334 hours remaining, 112.472656 MB of memory in use. ENERGY: 739400 622.5866 1863.0584 2050.2939 109.2000 3.7512 -1066.5236 0.0000 0.0000 2679.0580 6261.4244 295.9094 3582.3665 6294.0719 298.9160 PRESSURE: 739600 0 0 0 0 0 0 0 0 0 GPRESSURE: 739600 0 0 0 0 0 0 0 0 0 PRESSAVG: 739600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 739600 0 0 0 0 0 0 0 0 0 TIMING: 739600 CPU: 2924.55, 0.00395072/step Wall: 2924.55, 0.00395072/step, 1.9319 hours remaining, 112.472656 MB of memory in use. ENERGY: 739600 639.8679 1851.6647 2012.5255 118.2394 5.0795 -1053.7499 0.0000 0.0000 2728.2309 6301.8580 301.3407 3573.6271 6335.3861 300.8398 PRESSURE: 739800 0 0 0 0 0 0 0 0 0 GPRESSURE: 739800 0 0 0 0 0 0 0 0 0 PRESSAVG: 739800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 739800 0 0 0 0 0 0 0 0 0 TIMING: 739800 CPU: 2925.34, 0.00394552/step Wall: 2925.34, 0.00394552/step, 1.92914 hours remaining, 112.472656 MB of memory in use. ENERGY: 739800 672.8940 1813.6673 1977.8583 117.5021 3.4798 -1071.3044 0.0000 0.0000 2712.9749 6227.0720 299.6556 3514.0971 6261.1451 302.2581 PRESSURE: 740000 0 0 0 0 0 0 0 0 0 GPRESSURE: 740000 0 0 0 0 0 0 0 0 0 PRESSAVG: 740000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 740000 0 0 0 0 0 0 0 0 0 TIMING: 740000 CPU: 2926.13, 0.00395308/step Wall: 2926.13, 0.00395308/step, 1.93262 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 740000 670.1443 1854.8976 1968.7321 109.6185 3.6925 -1098.5507 0.0000 0.0000 2750.2787 6258.8131 303.7759 3508.5344 6290.2405 300.4562 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 740000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 740000 WRITING COORDINATES TO RESTART FILE AT STEP 740000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 740000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 740200 0 0 0 0 0 0 0 0 0 GPRESSURE: 740200 0 0 0 0 0 0 0 0 0 PRESSAVG: 740200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 740200 0 0 0 0 0 0 0 0 0 TIMING: 740200 CPU: 2926.95, 0.0041117/step Wall: 2926.95, 0.0041117/step, 2.00994 hours remaining, 112.472656 MB of memory in use. ENERGY: 740200 677.2380 1883.5104 1979.4270 108.9606 2.5042 -1078.2608 0.0000 0.0000 2670.2084 6243.5877 294.9320 3573.3793 6273.4499 300.9666 LDB: ============= START OF LOAD BALANCING ============== 2929.91 LDB: ============== END OF LOAD BALANCING =============== 2929.91 LDB: =============== DONE WITH MIGRATION ================ 2929.91 LDB: ============= START OF LOAD BALANCING ============== 2930.31 LDB: ============== END OF LOAD BALANCING =============== 2930.31 LDB: =============== DONE WITH MIGRATION ================ 2930.31 PRESSURE: 740400 0 0 0 0 0 0 0 0 0 GPRESSURE: 740400 0 0 0 0 0 0 0 0 0 PRESSAVG: 740400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 740400 0 0 0 0 0 0 0 0 0 TIMING: 740400 CPU: 2927.74, 0.00395738/step Wall: 2927.74, 0.00395738/step, 1.93428 hours remaining, 112.472656 MB of memory in use. ENERGY: 740400 665.7801 1859.4514 2010.4689 98.1913 2.7950 -1037.8351 0.0000 0.0000 2678.5266 6277.3782 295.8507 3598.8516 6308.0999 301.2439 PRESSURE: 740600 0 0 0 0 0 0 0 0 0 GPRESSURE: 740600 0 0 0 0 0 0 0 0 0 PRESSAVG: 740600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 740600 0 0 0 0 0 0 0 0 0 TIMING: 740600 CPU: 2928.53, 0.00395025/step Wall: 2928.53, 0.00395025/step, 1.93058 hours remaining, 112.472656 MB of memory in use. ENERGY: 740600 661.6227 1893.0413 1986.2867 104.9711 3.0672 -1090.2155 0.0000 0.0000 2686.4019 6245.1753 296.7206 3558.7734 6277.9432 300.1992 PRESSURE: 740800 0 0 0 0 0 0 0 0 0 GPRESSURE: 740800 0 0 0 0 0 0 0 0 0 PRESSAVG: 740800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 740800 0 0 0 0 0 0 0 0 0 TIMING: 740800 CPU: 2929.32, 0.00394644/step Wall: 2929.32, 0.00394644/step, 1.92849 hours remaining, 112.472656 MB of memory in use. ENERGY: 740800 650.2605 1836.3044 1999.3223 107.8970 3.1737 -1067.0016 0.0000 0.0000 2662.4826 6192.4390 294.0786 3529.9564 6223.6348 298.9746 PRESSURE: 741000 0 0 0 0 0 0 0 0 0 GPRESSURE: 741000 0 0 0 0 0 0 0 0 0 PRESSAVG: 741000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 741000 0 0 0 0 0 0 0 0 0 TIMING: 741000 CPU: 2930.11, 0.00395225/step Wall: 2930.11, 0.00395225/step, 1.93111 hours remaining, 112.472656 MB of memory in use. ENERGY: 741000 677.0845 1857.9300 1956.6006 109.7535 1.9986 -1093.5050 0.0000 0.0000 2680.0496 6189.9119 296.0189 3509.8623 6222.6835 297.7042 PRESSURE: 741200 0 0 0 0 0 0 0 0 0 GPRESSURE: 741200 0 0 0 0 0 0 0 0 0 PRESSAVG: 741200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 741200 0 0 0 0 0 0 0 0 0 TIMING: 741200 CPU: 2930.9, 0.00395167/step Wall: 2930.9, 0.00395167/step, 1.93061 hours remaining, 112.472656 MB of memory in use. ENERGY: 741200 670.1561 1823.8544 1977.9120 96.7871 3.1034 -1060.3365 0.0000 0.0000 2690.6290 6202.1053 297.1875 3511.4764 6235.2829 296.9778 PRESSURE: 741400 0 0 0 0 0 0 0 0 0 GPRESSURE: 741400 0 0 0 0 0 0 0 0 0 PRESSAVG: 741400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 741400 0 0 0 0 0 0 0 0 0 TIMING: 741400 CPU: 2931.69, 0.00395296/step Wall: 2931.69, 0.00395296/step, 1.93102 hours remaining, 112.472656 MB of memory in use. ENERGY: 741400 665.1928 1841.0108 1984.4134 100.0999 2.2278 -1044.0346 0.0000 0.0000 2728.0469 6276.9570 301.3204 3548.9101 6308.1643 299.8042 PRESSURE: 741600 0 0 0 0 0 0 0 0 0 GPRESSURE: 741600 0 0 0 0 0 0 0 0 0 PRESSAVG: 741600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 741600 0 0 0 0 0 0 0 0 0 TIMING: 741600 CPU: 2932.48, 0.00395269/step Wall: 2932.48, 0.00395269/step, 1.93067 hours remaining, 112.472656 MB of memory in use. ENERGY: 741600 690.8141 1848.8866 1972.9567 118.7276 1.7529 -1092.9368 0.0000 0.0000 2739.4846 6279.6857 302.5837 3540.2010 6311.7395 302.3566 PRESSURE: 741800 0 0 0 0 0 0 0 0 0 GPRESSURE: 741800 0 0 0 0 0 0 0 0 0 PRESSAVG: 741800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 741800 0 0 0 0 0 0 0 0 0 TIMING: 741800 CPU: 2933.27, 0.00394469/step Wall: 2933.27, 0.00394469/step, 1.92654 hours remaining, 112.472656 MB of memory in use. ENERGY: 741800 673.9389 1856.1330 1991.7008 104.5372 2.5998 -1076.2676 0.0000 0.0000 2689.6002 6242.2424 297.0738 3552.6422 6271.0564 301.7085 PRESSURE: 742000 0 0 0 0 0 0 0 0 0 GPRESSURE: 742000 0 0 0 0 0 0 0 0 0 PRESSAVG: 742000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 742000 0 0 0 0 0 0 0 0 0 TIMING: 742000 CPU: 2934.06, 0.00395159/step Wall: 2934.06, 0.00395159/step, 1.92969 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 742000 628.5868 1820.4274 1979.7839 120.6256 3.7392 -1062.3451 0.0000 0.0000 2775.9300 6266.7478 306.6092 3490.8179 6299.1914 301.4484 PRESSURE: 742200 0 0 0 0 0 0 0 0 0 GPRESSURE: 742200 0 0 0 0 0 0 0 0 0 PRESSAVG: 742200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 742200 0 0 0 0 0 0 0 0 0 TIMING: 742200 CPU: 2934.85, 0.00395187/step Wall: 2934.85, 0.00395187/step, 1.92961 hours remaining, 112.472656 MB of memory in use. ENERGY: 742200 645.7155 1841.0023 1976.8102 112.7348 2.8997 -1074.4492 0.0000 0.0000 2753.1405 6257.8540 304.0920 3504.7134 6292.3916 301.4365 PRESSURE: 742400 0 0 0 0 0 0 0 0 0 GPRESSURE: 742400 0 0 0 0 0 0 0 0 0 PRESSAVG: 742400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 742400 0 0 0 0 0 0 0 0 0 TIMING: 742400 CPU: 2935.64, 0.00395263/step Wall: 2935.64, 0.00395263/step, 1.92976 hours remaining, 112.472656 MB of memory in use. ENERGY: 742400 667.0254 1870.6343 1969.7850 115.9894 1.3864 -1084.3386 0.0000 0.0000 2781.8674 6322.3492 307.2650 3540.4818 6355.8205 302.2623 PRESSURE: 742600 0 0 0 0 0 0 0 0 0 GPRESSURE: 742600 0 0 0 0 0 0 0 0 0 PRESSAVG: 742600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 742600 0 0 0 0 0 0 0 0 0 TIMING: 742600 CPU: 2936.43, 0.00395242/step Wall: 2936.43, 0.00395242/step, 1.92944 hours remaining, 112.472656 MB of memory in use. ENERGY: 742600 653.3471 1915.1765 1956.5744 114.7243 2.2995 -1051.1644 0.0000 0.0000 2742.0685 6333.0260 302.8691 3590.9576 6365.0328 305.7593 PRESSURE: 742800 0 0 0 0 0 0 0 0 0 GPRESSURE: 742800 0 0 0 0 0 0 0 0 0 PRESSAVG: 742800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 742800 0 0 0 0 0 0 0 0 0 TIMING: 742800 CPU: 2937.22, 0.00394685/step Wall: 2937.22, 0.00394685/step, 1.9265 hours remaining, 112.472656 MB of memory in use. ENERGY: 742800 648.3824 1891.9158 1953.3500 106.0805 0.7765 -1083.6596 0.0000 0.0000 2771.8992 6288.7447 306.1640 3516.8455 6327.4601 304.2059 PRESSURE: 743000 0 0 0 0 0 0 0 0 0 GPRESSURE: 743000 0 0 0 0 0 0 0 0 0 PRESSAVG: 743000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 743000 0 0 0 0 0 0 0 0 0 TIMING: 743000 CPU: 2938.01, 0.0039534/step Wall: 2938.01, 0.0039534/step, 1.92948 hours remaining, 112.472656 MB of memory in use. ENERGY: 743000 640.7963 1846.6960 2015.5053 120.0461 1.4327 -1035.2063 0.0000 0.0000 2746.1854 6335.4554 303.3238 3589.2700 6369.4472 303.8632 PRESSURE: 743200 0 0 0 0 0 0 0 0 0 GPRESSURE: 743200 0 0 0 0 0 0 0 0 0 PRESSAVG: 743200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 743200 0 0 0 0 0 0 0 0 0 TIMING: 743200 CPU: 2938.81, 0.00396603/step Wall: 2938.81, 0.00396603/step, 1.93542 hours remaining, 112.472656 MB of memory in use. ENERGY: 743200 655.7150 1868.6355 2007.0983 95.6180 3.0222 -1053.0716 0.0000 0.0000 2784.5593 6361.5767 307.5623 3577.0175 6395.6604 305.6788 PRESSURE: 743400 0 0 0 0 0 0 0 0 0 GPRESSURE: 743400 0 0 0 0 0 0 0 0 0 PRESSAVG: 743400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 743400 0 0 0 0 0 0 0 0 0 TIMING: 743400 CPU: 2939.6, 0.00395177/step Wall: 2939.6, 0.00395177/step, 1.92825 hours remaining, 112.472656 MB of memory in use. ENERGY: 743400 717.5962 1853.3843 2004.0879 115.0812 2.0014 -1067.0015 0.0000 0.0000 2749.0971 6374.2464 303.6454 3625.1493 6405.2960 306.1620 PRESSURE: 743600 0 0 0 0 0 0 0 0 0 GPRESSURE: 743600 0 0 0 0 0 0 0 0 0 PRESSAVG: 743600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 743600 0 0 0 0 0 0 0 0 0 TIMING: 743600 CPU: 2940.39, 0.003947/step Wall: 2940.39, 0.003947/step, 1.9257 hours remaining, 112.472656 MB of memory in use. ENERGY: 743600 655.6020 1832.0146 1996.4340 113.7268 2.5412 -1036.3611 0.0000 0.0000 2768.3022 6332.2597 305.7667 3563.9575 6367.2969 305.5868 PRESSURE: 743800 0 0 0 0 0 0 0 0 0 GPRESSURE: 743800 0 0 0 0 0 0 0 0 0 PRESSAVG: 743800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 743800 0 0 0 0 0 0 0 0 0 TIMING: 743800 CPU: 2941.18, 0.00395275/step Wall: 2941.18, 0.00395275/step, 1.92828 hours remaining, 112.472656 MB of memory in use. ENERGY: 743800 676.5548 1909.6239 1997.7811 106.9115 1.8175 -1111.7358 0.0000 0.0000 2754.5336 6335.4866 304.2459 3580.9530 6370.3682 304.7147 PRESSURE: 744000 0 0 0 0 0 0 0 0 0 GPRESSURE: 744000 0 0 0 0 0 0 0 0 0 PRESSAVG: 744000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 744000 0 0 0 0 0 0 0 0 0 TIMING: 744000 CPU: 2941.97, 0.00395072/step Wall: 2941.97, 0.00395072/step, 1.92708 hours remaining, 112.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 744000 688.2752 1893.5283 1971.4541 112.4224 3.4420 -1065.3260 0.0000 0.0000 2761.3807 6365.1767 305.0022 3603.7960 6399.7112 305.5310 PRESSURE: 744200 0 0 0 0 0 0 0 0 0 GPRESSURE: 744200 0 0 0 0 0 0 0 0 0 PRESSAVG: 744200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 744200 0 0 0 0 0 0 0 0 0 TIMING: 744200 CPU: 2942.76, 0.00395231/step Wall: 2942.76, 0.00395231/step, 1.92763 hours remaining, 112.472656 MB of memory in use. ENERGY: 744200 678.1228 1896.8875 1976.7460 97.7146 2.5598 -1074.5832 0.0000 0.0000 2752.3398 6329.7873 304.0036 3577.4475 6363.4153 306.2618 LDB: ============= START OF LOAD BALANCING ============== 2945.72 LDB: ============== END OF LOAD BALANCING =============== 2945.72 LDB: =============== DONE WITH MIGRATION ================ 2945.72 LDB: ============= START OF LOAD BALANCING ============== 2946.11 LDB: ============== END OF LOAD BALANCING =============== 2946.11 LDB: =============== DONE WITH MIGRATION ================ 2946.11 PRESSURE: 744400 0 0 0 0 0 0 0 0 0 GPRESSURE: 744400 0 0 0 0 0 0 0 0 0 PRESSAVG: 744400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 744400 0 0 0 0 0 0 0 0 0 TIMING: 744400 CPU: 2943.55, 0.00395587/step Wall: 2943.55, 0.00395587/step, 1.92915 hours remaining, 112.472656 MB of memory in use. ENERGY: 744400 640.0934 1840.3370 1994.2847 97.0805 0.6791 -1039.4616 0.0000 0.0000 2756.5238 6289.5369 304.4657 3533.0132 6326.2067 303.6676 PRESSURE: 744600 0 0 0 0 0 0 0 0 0 GPRESSURE: 744600 0 0 0 0 0 0 0 0 0 PRESSAVG: 744600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 744600 0 0 0 0 0 0 0 0 0 TIMING: 744600 CPU: 2944.34, 0.00394563/step Wall: 2944.34, 0.00394563/step, 1.92393 hours remaining, 112.472656 MB of memory in use. ENERGY: 744600 673.9443 1834.9544 2013.1704 105.7449 0.5620 -1071.0371 0.0000 0.0000 2753.2259 6310.5649 304.1015 3557.3389 6342.5767 302.8632 PRESSURE: 744800 0 0 0 0 0 0 0 0 0 GPRESSURE: 744800 0 0 0 0 0 0 0 0 0 PRESSAVG: 744800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 744800 0 0 0 0 0 0 0 0 0 TIMING: 744800 CPU: 2945.13, 0.00395114/step Wall: 2945.13, 0.00395114/step, 1.9264 hours remaining, 112.472656 MB of memory in use. ENERGY: 744800 662.0928 1888.5115 1971.7371 114.4883 0.1789 -1074.4417 0.0000 0.0000 2804.1228 6366.6897 309.7232 3562.5669 6401.3405 305.9903 PRESSURE: 745000 0 0 0 0 0 0 0 0 0 GPRESSURE: 745000 0 0 0 0 0 0 0 0 0 PRESSAVG: 745000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 745000 0 0 0 0 0 0 0 0 0 TIMING: 745000 CPU: 2945.92, 0.0039514/step Wall: 2945.92, 0.0039514/step, 1.92631 hours remaining, 112.472656 MB of memory in use. ENERGY: 745000 703.0680 1900.7635 1978.6315 120.9119 1.6628 -1099.0624 0.0000 0.0000 2756.7378 6362.7132 304.4894 3605.9753 6398.0796 306.2391 PRESSURE: 745200 0 0 0 0 0 0 0 0 0 GPRESSURE: 745200 0 0 0 0 0 0 0 0 0 PRESSAVG: 745200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 745200 0 0 0 0 0 0 0 0 0 TIMING: 745200 CPU: 2946.71, 0.00395056/step Wall: 2946.71, 0.00395056/step, 1.92568 hours remaining, 112.476562 MB of memory in use. ENERGY: 745200 632.1079 1886.6670 2001.5316 107.9971 0.6414 -1071.7309 0.0000 0.0000 2747.0204 6304.2345 303.4161 3557.2140 6337.4140 306.6491 PRESSURE: 745400 0 0 0 0 0 0 0 0 0 GPRESSURE: 745400 0 0 0 0 0 0 0 0 0 PRESSAVG: 745400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 745400 0 0 0 0 0 0 0 0 0 TIMING: 745400 CPU: 2947.5, 0.00395103/step Wall: 2947.5, 0.00395103/step, 1.92569 hours remaining, 112.476562 MB of memory in use. ENERGY: 745400 675.8547 1812.3675 1996.4921 111.8997 1.9945 -1050.3168 0.0000 0.0000 2752.4702 6300.7619 304.0180 3548.2917 6335.6302 302.1858 PRESSURE: 745600 0 0 0 0 0 0 0 0 0 GPRESSURE: 745600 0 0 0 0 0 0 0 0 0 PRESSAVG: 745600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 745600 0 0 0 0 0 0 0 0 0 TIMING: 745600 CPU: 2948.29, 0.00394676/step Wall: 2948.29, 0.00394676/step, 1.92339 hours remaining, 112.476562 MB of memory in use. ENERGY: 745600 675.5063 1812.2190 1981.5052 109.0951 3.1147 -1052.5891 0.0000 0.0000 2770.2953 6299.1466 305.9868 3528.8513 6337.7409 303.0400 PRESSURE: 745800 0 0 0 0 0 0 0 0 0 GPRESSURE: 745800 0 0 0 0 0 0 0 0 0 PRESSAVG: 745800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 745800 0 0 0 0 0 0 0 0 0 TIMING: 745800 CPU: 2949.08, 0.00395137/step Wall: 2949.08, 0.00395137/step, 1.92541 hours remaining, 112.476562 MB of memory in use. ENERGY: 745800 671.4378 1910.2551 2005.9558 109.1405 2.8065 -1088.1953 0.0000 0.0000 2672.6551 6284.0555 295.2022 3611.4004 6314.8231 302.7634 PRESSURE: 746000 0 0 0 0 0 0 0 0 0 GPRESSURE: 746000 0 0 0 0 0 0 0 0 0 PRESSAVG: 746000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 746000 0 0 0 0 0 0 0 0 0 TIMING: 746000 CPU: 2949.87, 0.00394977/step Wall: 2949.87, 0.00394977/step, 1.92442 hours remaining, 112.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 746000 676.1619 1872.5203 1996.0739 106.4585 2.2486 -1089.6719 0.0000 0.0000 2739.2904 6303.0818 302.5623 3563.7913 6337.3433 300.4365 PRESSURE: 746200 0 0 0 0 0 0 0 0 0 GPRESSURE: 746200 0 0 0 0 0 0 0 0 0 PRESSAVG: 746200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 746200 0 0 0 0 0 0 0 0 0 TIMING: 746200 CPU: 2950.66, 0.00395053/step Wall: 2950.66, 0.00395053/step, 1.92457 hours remaining, 112.476562 MB of memory in use. ENERGY: 746200 666.5350 1808.4771 2011.3962 102.4361 1.7182 -1053.5857 0.0000 0.0000 2789.6844 6326.6612 308.1284 3536.9768 6360.2527 303.1814 PRESSURE: 746400 0 0 0 0 0 0 0 0 0 GPRESSURE: 746400 0 0 0 0 0 0 0 0 0 PRESSAVG: 746400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 746400 0 0 0 0 0 0 0 0 0 TIMING: 746400 CPU: 2951.45, 0.00394693/step Wall: 2951.45, 0.00394693/step, 1.9226 hours remaining, 112.476562 MB of memory in use. ENERGY: 746400 663.4685 1874.7699 1993.5077 112.6121 3.0141 -1087.5830 0.0000 0.0000 2746.1564 6305.9457 303.3206 3559.7893 6338.8948 303.2810 PRESSURE: 746600 0 0 0 0 0 0 0 0 0 GPRESSURE: 746600 0 0 0 0 0 0 0 0 0 PRESSAVG: 746600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 746600 0 0 0 0 0 0 0 0 0 TIMING: 746600 CPU: 2952.24, 0.00394984/step Wall: 2952.24, 0.00394984/step, 1.92379 hours remaining, 112.476562 MB of memory in use. ENERGY: 746600 668.8877 1830.8187 1965.7752 114.2992 2.4967 -1044.4282 0.0000 0.0000 2771.9744 6309.8236 306.1723 3537.8492 6343.6191 302.9501 PRESSURE: 746800 0 0 0 0 0 0 0 0 0 GPRESSURE: 746800 0 0 0 0 0 0 0 0 0 PRESSAVG: 746800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 746800 0 0 0 0 0 0 0 0 0 TIMING: 746800 CPU: 2953.03, 0.00394987/step Wall: 2953.03, 0.00394987/step, 1.92359 hours remaining, 112.476562 MB of memory in use. ENERGY: 746800 642.7166 1832.1654 1980.3809 102.7742 0.6081 -1088.7713 0.0000 0.0000 2838.4993 6308.3732 313.5202 3469.8739 6344.7702 304.2637 PRESSURE: 747000 0 0 0 0 0 0 0 0 0 GPRESSURE: 747000 0 0 0 0 0 0 0 0 0 PRESSAVG: 747000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 747000 0 0 0 0 0 0 0 0 0 TIMING: 747000 CPU: 2953.82, 0.00395045/step Wall: 2953.82, 0.00395045/step, 1.92365 hours remaining, 112.476562 MB of memory in use. ENERGY: 747000 664.7650 1869.1774 1970.0563 109.9893 1.9087 -1066.3928 0.0000 0.0000 2739.0323 6288.5362 302.5338 3549.5039 6320.2335 303.1886 PRESSURE: 747200 0 0 0 0 0 0 0 0 0 GPRESSURE: 747200 0 0 0 0 0 0 0 0 0 PRESSAVG: 747200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 747200 0 0 0 0 0 0 0 0 0 TIMING: 747200 CPU: 2954.61, 0.00394949/step Wall: 2954.61, 0.00394949/step, 1.92296 hours remaining, 112.476562 MB of memory in use. ENERGY: 747200 656.8921 1887.4440 1970.0284 105.8516 2.7680 -1030.3167 0.0000 0.0000 2717.3044 6309.9717 300.1338 3592.6673 6341.3775 302.5982 PRESSURE: 747400 0 0 0 0 0 0 0 0 0 GPRESSURE: 747400 0 0 0 0 0 0 0 0 0 PRESSAVG: 747400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 747400 0 0 0 0 0 0 0 0 0 TIMING: 747400 CPU: 2955.4, 0.00394642/step Wall: 2955.4, 0.00394642/step, 1.92125 hours remaining, 112.476562 MB of memory in use. ENERGY: 747400 669.9876 1843.8508 2002.0505 118.6749 1.8784 -1040.7580 0.0000 0.0000 2727.4520 6323.1362 301.2547 3595.6841 6357.1901 304.8039 PRESSURE: 747600 0 0 0 0 0 0 0 0 0 GPRESSURE: 747600 0 0 0 0 0 0 0 0 0 PRESSAVG: 747600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 747600 0 0 0 0 0 0 0 0 0 TIMING: 747600 CPU: 2956.19, 0.00395288/step Wall: 2956.19, 0.00395288/step, 1.92417 hours remaining, 112.476562 MB of memory in use. ENERGY: 747600 660.9036 1809.5192 2003.7490 109.6232 2.4518 -1068.6780 0.0000 0.0000 2733.5244 6251.0932 301.9254 3517.5688 6286.1888 302.6746 PRESSURE: 747800 0 0 0 0 0 0 0 0 0 GPRESSURE: 747800 0 0 0 0 0 0 0 0 0 PRESSAVG: 747800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 747800 0 0 0 0 0 0 0 0 0 TIMING: 747800 CPU: 2956.98, 0.00395211/step Wall: 2956.98, 0.00395211/step, 1.92358 hours remaining, 112.476562 MB of memory in use. ENERGY: 747800 602.6670 1872.4379 2017.4724 121.0667 3.2302 -1061.3252 0.0000 0.0000 2748.1477 6303.6967 303.5406 3555.5490 6336.8969 302.7791 PRESSURE: 748000 0 0 0 0 0 0 0 0 0 GPRESSURE: 748000 0 0 0 0 0 0 0 0 0 PRESSAVG: 748000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 748000 0 0 0 0 0 0 0 0 0 TIMING: 748000 CPU: 2957.77, 0.00395059/step Wall: 2957.77, 0.00395059/step, 1.92262 hours remaining, 112.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 748000 673.0632 1836.7060 1990.0076 110.1319 2.4622 -1028.6492 0.0000 0.0000 2683.7342 6267.4559 296.4259 3583.7217 6297.0372 302.6510 PRESSURE: 748200 0 0 0 0 0 0 0 0 0 GPRESSURE: 748200 0 0 0 0 0 0 0 0 0 PRESSAVG: 748200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 748200 0 0 0 0 0 0 0 0 0 TIMING: 748200 CPU: 2958.56, 0.00395128/step Wall: 2958.56, 0.00395128/step, 1.92273 hours remaining, 112.476562 MB of memory in use. ENERGY: 748200 638.6072 1858.6698 1983.3879 100.2291 3.2766 -1057.2605 0.0000 0.0000 2738.1636 6265.0736 302.4378 3526.9100 6296.4525 300.8827 LDB: ============= START OF LOAD BALANCING ============== 2961.52 LDB: ============== END OF LOAD BALANCING =============== 2961.52 LDB: =============== DONE WITH MIGRATION ================ 2961.52 LDB: ============= START OF LOAD BALANCING ============== 2961.91 LDB: ============== END OF LOAD BALANCING =============== 2961.91 LDB: =============== DONE WITH MIGRATION ================ 2961.91 PRESSURE: 748400 0 0 0 0 0 0 0 0 0 GPRESSURE: 748400 0 0 0 0 0 0 0 0 0 PRESSAVG: 748400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 748400 0 0 0 0 0 0 0 0 0 TIMING: 748400 CPU: 2959.35, 0.00395046/step Wall: 2959.35, 0.00395046/step, 1.92212 hours remaining, 112.476562 MB of memory in use. ENERGY: 748400 658.8260 1908.0260 2021.5199 102.4155 1.3768 -1078.3872 0.0000 0.0000 2676.1994 6289.9764 295.5937 3613.7770 6322.4220 301.2709 PRESSURE: 748600 0 0 0 0 0 0 0 0 0 GPRESSURE: 748600 0 0 0 0 0 0 0 0 0 PRESSAVG: 748600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 748600 0 0 0 0 0 0 0 0 0 TIMING: 748600 CPU: 2960.14, 0.00395018/step Wall: 2960.14, 0.00395018/step, 1.92176 hours remaining, 112.476562 MB of memory in use. ENERGY: 748600 635.9710 1856.5949 2017.5549 107.3892 2.1270 -1057.3856 0.0000 0.0000 2704.0814 6266.3330 298.6733 3562.2515 6299.6263 299.3464 PRESSURE: 748800 0 0 0 0 0 0 0 0 0 GPRESSURE: 748800 0 0 0 0 0 0 0 0 0 PRESSAVG: 748800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 748800 0 0 0 0 0 0 0 0 0 TIMING: 748800 CPU: 2960.93, 0.00395195/step Wall: 2960.93, 0.00395195/step, 1.92241 hours remaining, 112.476562 MB of memory in use. ENERGY: 748800 664.5326 1807.7729 2006.0725 98.3610 2.7279 -1031.8445 0.0000 0.0000 2733.5463 6281.1687 301.9278 3547.6224 6316.2760 301.2367 PRESSURE: 749000 0 0 0 0 0 0 0 0 0 GPRESSURE: 749000 0 0 0 0 0 0 0 0 0 PRESSAVG: 749000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 749000 0 0 0 0 0 0 0 0 0 TIMING: 749000 CPU: 2961.72, 0.00395213/step Wall: 2961.72, 0.00395213/step, 1.92227 hours remaining, 112.476562 MB of memory in use. ENERGY: 749000 648.8019 1870.6200 1997.3062 114.6708 2.5850 -1091.9812 0.0000 0.0000 2676.1305 6218.1333 295.5861 3542.0027 6249.9410 302.1459 PRESSURE: 749200 0 0 0 0 0 0 0 0 0 GPRESSURE: 749200 0 0 0 0 0 0 0 0 0 PRESSAVG: 749200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 749200 0 0 0 0 0 0 0 0 0 TIMING: 749200 CPU: 2962.51, 0.00395221/step Wall: 2962.51, 0.00395221/step, 1.92209 hours remaining, 112.476562 MB of memory in use. ENERGY: 749200 632.6773 1881.1827 1979.2450 106.5365 1.5036 -1081.2553 0.0000 0.0000 2721.1117 6241.0015 300.5544 3519.8898 6274.8167 298.9777 PRESSURE: 749400 0 0 0 0 0 0 0 0 0 GPRESSURE: 749400 0 0 0 0 0 0 0 0 0 PRESSAVG: 749400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 749400 0 0 0 0 0 0 0 0 0 TIMING: 749400 CPU: 2963.3, 0.00394637/step Wall: 2963.3, 0.00394637/step, 1.91903 hours remaining, 112.476562 MB of memory in use. ENERGY: 749400 689.3750 1803.6260 1982.5493 117.6659 0.3621 -1076.5197 0.0000 0.0000 2780.3200 6297.3787 307.0941 3517.0587 6329.1496 300.1054 PRESSURE: 749600 0 0 0 0 0 0 0 0 0 GPRESSURE: 749600 0 0 0 0 0 0 0 0 0 PRESSAVG: 749600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 749600 0 0 0 0 0 0 0 0 0 TIMING: 749600 CPU: 2964.09, 0.00395085/step Wall: 2964.09, 0.00395085/step, 1.92099 hours remaining, 112.476562 MB of memory in use. ENERGY: 749600 688.4001 1871.6040 1976.8043 101.6361 0.0703 -1034.2006 0.0000 0.0000 2698.5226 6302.8368 298.0593 3604.3142 6333.5141 303.5046 PRESSURE: 749800 0 0 0 0 0 0 0 0 0 GPRESSURE: 749800 0 0 0 0 0 0 0 0 0 PRESSAVG: 749800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 749800 0 0 0 0 0 0 0 0 0 TIMING: 749800 CPU: 2964.88, 0.00394989/step Wall: 2964.88, 0.00394988/step, 1.9203 hours remaining, 112.476562 MB of memory in use. ENERGY: 749800 632.7883 1881.3915 1994.2656 98.9229 1.3463 -1044.2388 0.0000 0.0000 2725.0508 6289.5266 300.9895 3564.4758 6319.9296 304.1639 PRESSURE: 750000 0 0 0 0 0 0 0 0 0 GPRESSURE: 750000 0 0 0 0 0 0 0 0 0 PRESSAVG: 750000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 750000 0 0 0 0 0 0 0 0 0 TIMING: 750000 CPU: 2965.67, 0.00395368/step Wall: 2965.67, 0.00395368/step, 1.92193 hours remaining, 112.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 750000 639.8584 1833.6128 1974.5240 122.7387 0.7112 -1034.2965 0.0000 0.0000 2738.8877 6276.0363 302.5178 3537.1486 6306.3669 300.0240 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 750000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 750000 WRITING COORDINATES TO RESTART FILE AT STEP 750000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 750000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 750200 0 0 0 0 0 0 0 0 0 GPRESSURE: 750200 0 0 0 0 0 0 0 0 0 PRESSAVG: 750200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 750200 0 0 0 0 0 0 0 0 0 TIMING: 750200 CPU: 2966.5, 0.00413723/step Wall: 2966.5, 0.00413723/step, 2.01092 hours remaining, 112.476562 MB of memory in use. ENERGY: 750200 644.2430 1876.6300 1983.1430 111.4405 1.1068 -1087.2397 0.0000 0.0000 2715.3543 6244.6777 299.9184 3529.3235 6278.9468 300.6353 PRESSURE: 750400 0 0 0 0 0 0 0 0 0 GPRESSURE: 750400 0 0 0 0 0 0 0 0 0 PRESSAVG: 750400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 750400 0 0 0 0 0 0 0 0 0 TIMING: 750400 CPU: 2967.29, 0.00394727/step Wall: 2967.29, 0.00394727/step, 1.91838 hours remaining, 112.476562 MB of memory in use. ENERGY: 750400 650.4957 1844.9978 1960.0091 121.5064 -0.4872 -1058.6532 0.0000 0.0000 2743.9890 6261.8576 303.0812 3517.8686 6295.3617 302.7087 PRESSURE: 750600 0 0 0 0 0 0 0 0 0 GPRESSURE: 750600 0 0 0 0 0 0 0 0 0 PRESSAVG: 750600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 750600 0 0 0 0 0 0 0 0 0 TIMING: 750600 CPU: 2968.08, 0.0039505/step Wall: 2968.08, 0.0039505/step, 1.91972 hours remaining, 112.476562 MB of memory in use. ENERGY: 750600 653.3184 1842.1722 1979.5893 103.8415 1.5610 -1061.2109 0.0000 0.0000 2800.3779 6319.6492 309.3095 3519.2714 6355.7923 303.6185 PRESSURE: 750800 0 0 0 0 0 0 0 0 0 GPRESSURE: 750800 0 0 0 0 0 0 0 0 0 PRESSAVG: 750800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 750800 0 0 0 0 0 0 0 0 0 TIMING: 750800 CPU: 2968.87, 0.00395131/step Wall: 2968.87, 0.00395131/step, 1.9199 hours remaining, 112.476562 MB of memory in use. ENERGY: 750800 683.9269 1844.9103 1989.2387 118.6575 3.3020 -1081.4325 0.0000 0.0000 2767.8823 6326.4853 305.7203 3558.6030 6361.7366 304.5304 PRESSURE: 751000 0 0 0 0 0 0 0 0 0 GPRESSURE: 751000 0 0 0 0 0 0 0 0 0 PRESSAVG: 751000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 751000 0 0 0 0 0 0 0 0 0 TIMING: 751000 CPU: 2969.66, 0.00395272/step Wall: 2969.66, 0.00395272/step, 1.92037 hours remaining, 112.476562 MB of memory in use. ENERGY: 751000 674.6203 1868.1714 1980.7476 110.9247 1.9927 -1055.8519 0.0000 0.0000 2757.2642 6337.8689 304.5475 3580.6047 6370.8046 304.8233 PRESSURE: 751200 0 0 0 0 0 0 0 0 0 GPRESSURE: 751200 0 0 0 0 0 0 0 0 0 PRESSAVG: 751200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 751200 0 0 0 0 0 0 0 0 0 TIMING: 751200 CPU: 2970.45, 0.00394723/step Wall: 2970.45, 0.00394723/step, 1.91748 hours remaining, 112.476562 MB of memory in use. ENERGY: 751200 674.8189 1909.6250 2003.0764 119.4120 2.8234 -1084.8485 0.0000 0.0000 2693.7022 6318.6094 297.5269 3624.9072 6351.4084 305.6474 PRESSURE: 751400 0 0 0 0 0 0 0 0 0 GPRESSURE: 751400 0 0 0 0 0 0 0 0 0 PRESSAVG: 751400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 751400 0 0 0 0 0 0 0 0 0 TIMING: 751400 CPU: 2971.24, 0.00395436/step Wall: 2971.24, 0.00395436/step, 1.92072 hours remaining, 112.476562 MB of memory in use. ENERGY: 751400 659.1414 1838.7714 1962.8645 98.5686 2.4344 -1078.6445 0.0000 0.0000 2715.3442 6198.4800 299.9173 3483.1358 6233.3604 303.3015 PRESSURE: 751600 0 0 0 0 0 0 0 0 0 GPRESSURE: 751600 0 0 0 0 0 0 0 0 0 PRESSAVG: 751600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 751600 0 0 0 0 0 0 0 0 0 TIMING: 751600 CPU: 2972.03, 0.00395304/step Wall: 2972.03, 0.00395304/step, 1.91986 hours remaining, 112.500000 MB of memory in use. ENERGY: 751600 676.7727 1839.1231 1983.9694 112.5022 0.8167 -1088.0545 0.0000 0.0000 2634.6145 6159.7442 291.0005 3525.1296 6192.2534 297.1511 PRESSURE: 751800 0 0 0 0 0 0 0 0 0 GPRESSURE: 751800 0 0 0 0 0 0 0 0 0 PRESSAVG: 751800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 751800 0 0 0 0 0 0 0 0 0 TIMING: 751800 CPU: 2972.82, 0.0039515/step Wall: 2972.82, 0.0039515/step, 1.91889 hours remaining, 112.500000 MB of memory in use. ENERGY: 751800 632.0002 1812.2412 1989.6005 111.2389 2.1230 -1071.3273 0.0000 0.0000 2720.8466 6196.7231 300.5251 3475.8765 6229.8406 296.9924 PRESSURE: 752000 0 0 0 0 0 0 0 0 0 GPRESSURE: 752000 0 0 0 0 0 0 0 0 0 PRESSAVG: 752000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 752000 0 0 0 0 0 0 0 0 0 TIMING: 752000 CPU: 2973.61, 0.00395172/step Wall: 2973.61, 0.00395172/step, 1.91878 hours remaining, 112.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 752000 616.4593 1821.5260 1967.3770 106.0212 1.4127 -1087.4276 0.0000 0.0000 2708.4401 6133.8088 299.1548 3425.3687 6168.5325 296.5299 PRESSURE: 752200 0 0 0 0 0 0 0 0 0 GPRESSURE: 752200 0 0 0 0 0 0 0 0 0 PRESSAVG: 752200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 752200 0 0 0 0 0 0 0 0 0 TIMING: 752200 CPU: 2974.4, 0.00394534/step Wall: 2974.4, 0.00394534/step, 1.91546 hours remaining, 112.500000 MB of memory in use. ENERGY: 752200 631.1395 1842.6586 1942.8353 98.3830 0.7275 -1063.9128 0.0000 0.0000 2697.1977 6149.0289 297.9130 3451.8312 6183.1341 295.7911 LDB: ============= START OF LOAD BALANCING ============== 2977.36 LDB: ============== END OF LOAD BALANCING =============== 2977.36 LDB: =============== DONE WITH MIGRATION ================ 2977.36 LDB: ============= START OF LOAD BALANCING ============== 2977.76 LDB: ============== END OF LOAD BALANCING =============== 2977.76 LDB: =============== DONE WITH MIGRATION ================ 2977.76 PRESSURE: 752400 0 0 0 0 0 0 0 0 0 GPRESSURE: 752400 0 0 0 0 0 0 0 0 0 PRESSAVG: 752400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 752400 0 0 0 0 0 0 0 0 0 TIMING: 752400 CPU: 2975.19, 0.00395669/step Wall: 2975.19, 0.00395669/step, 1.92076 hours remaining, 112.500000 MB of memory in use. ENERGY: 752400 678.9316 1818.5262 1969.7277 100.6189 0.8658 -1117.8957 0.0000 0.0000 2721.4919 6172.2663 300.5964 3450.7744 6208.5389 296.1212 PRESSURE: 752600 0 0 0 0 0 0 0 0 0 GPRESSURE: 752600 0 0 0 0 0 0 0 0 0 PRESSAVG: 752600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 752600 0 0 0 0 0 0 0 0 0 TIMING: 752600 CPU: 2975.98, 0.00395085/step Wall: 2975.98, 0.00395085/step, 1.9177 hours remaining, 112.500000 MB of memory in use. ENERGY: 752600 626.8509 1788.5934 2002.6295 109.7838 1.8613 -1073.6068 0.0000 0.0000 2695.7067 6151.8188 297.7483 3456.1121 6186.6449 297.1483 PRESSURE: 752800 0 0 0 0 0 0 0 0 0 GPRESSURE: 752800 0 0 0 0 0 0 0 0 0 PRESSAVG: 752800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 752800 0 0 0 0 0 0 0 0 0 TIMING: 752800 CPU: 2976.77, 0.00395001/step Wall: 2976.77, 0.00395001/step, 1.91707 hours remaining, 112.500000 MB of memory in use. ENERGY: 752800 667.1117 1809.8057 1986.8621 99.6174 1.4622 -1069.1106 0.0000 0.0000 2676.1327 6171.8812 295.5863 3495.7485 6205.6074 295.5853 PRESSURE: 753000 0 0 0 0 0 0 0 0 0 GPRESSURE: 753000 0 0 0 0 0 0 0 0 0 PRESSAVG: 753000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 753000 0 0 0 0 0 0 0 0 0 TIMING: 753000 CPU: 2977.56, 0.00395082/step Wall: 2977.56, 0.00395082/step, 1.91725 hours remaining, 112.500000 MB of memory in use. ENERGY: 753000 656.8363 1841.8876 1983.0366 112.0547 1.7872 -1058.9373 0.0000 0.0000 2668.1893 6204.8544 294.7089 3536.6650 6235.5573 297.1294 PRESSURE: 753200 0 0 0 0 0 0 0 0 0 GPRESSURE: 753200 0 0 0 0 0 0 0 0 0 PRESSAVG: 753200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 753200 0 0 0 0 0 0 0 0 0 TIMING: 753200 CPU: 2978.35, 0.00394459/step Wall: 2978.35, 0.00394459/step, 1.91401 hours remaining, 112.500000 MB of memory in use. ENERGY: 753200 679.7482 1869.1191 1973.7797 109.2669 0.6962 -1080.4891 0.0000 0.0000 2731.9047 6284.0257 301.7465 3552.1210 6317.4204 299.6307 PRESSURE: 753400 0 0 0 0 0 0 0 0 0 GPRESSURE: 753400 0 0 0 0 0 0 0 0 0 PRESSAVG: 753400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 753400 0 0 0 0 0 0 0 0 0 TIMING: 753400 CPU: 2979.14, 0.00395614/step Wall: 2979.14, 0.00395614/step, 1.91939 hours remaining, 112.500000 MB of memory in use. ENERGY: 753400 675.3513 1764.4333 2020.7485 114.3407 2.9570 -1017.2469 0.0000 0.0000 2732.5492 6293.1331 301.8177 3560.5839 6327.0522 301.4973 PRESSURE: 753600 0 0 0 0 0 0 0 0 0 GPRESSURE: 753600 0 0 0 0 0 0 0 0 0 PRESSAVG: 753600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 753600 0 0 0 0 0 0 0 0 0 TIMING: 753600 CPU: 2979.93, 0.00394897/step Wall: 2979.93, 0.00394896/step, 1.91569 hours remaining, 112.503906 MB of memory in use. ENERGY: 753600 663.3262 1854.8738 1969.5824 97.8772 3.2373 -1010.7625 0.0000 0.0000 2708.4936 6286.6279 299.1607 3578.1343 6320.0100 300.8650 PRESSURE: 753800 0 0 0 0 0 0 0 0 0 GPRESSURE: 753800 0 0 0 0 0 0 0 0 0 PRESSAVG: 753800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 753800 0 0 0 0 0 0 0 0 0 TIMING: 753800 CPU: 2980.72, 0.00394912/step Wall: 2980.72, 0.00394913/step, 1.91555 hours remaining, 112.503906 MB of memory in use. ENERGY: 753800 636.0278 1820.6199 1994.6425 117.6008 0.7257 -1076.7771 0.0000 0.0000 2767.8158 6260.6555 305.7130 3492.8397 6294.9522 301.7637 PRESSURE: 754000 0 0 0 0 0 0 0 0 0 GPRESSURE: 754000 0 0 0 0 0 0 0 0 0 PRESSAVG: 754000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 754000 0 0 0 0 0 0 0 0 0 TIMING: 754000 CPU: 2981.51, 0.00394441/step Wall: 2981.51, 0.00394441/step, 1.91304 hours remaining, 112.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 754000 624.5153 1877.6519 2041.4213 111.2737 3.1995 -1041.8564 0.0000 0.0000 2673.0107 6289.2159 295.2415 3616.2052 6322.1194 302.8185 PRESSURE: 754200 0 0 0 0 0 0 0 0 0 GPRESSURE: 754200 0 0 0 0 0 0 0 0 0 PRESSAVG: 754200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 754200 0 0 0 0 0 0 0 0 0 TIMING: 754200 CPU: 2982.3, 0.00395828/step Wall: 2982.3, 0.00395828/step, 1.91955 hours remaining, 112.503906 MB of memory in use. ENERGY: 754200 629.0651 1884.9960 2023.8497 115.0961 3.4407 -1042.9732 0.0000 0.0000 2654.9877 6268.4623 293.2508 3613.4745 6296.0284 300.9596 PRESSURE: 754400 0 0 0 0 0 0 0 0 0 GPRESSURE: 754400 0 0 0 0 0 0 0 0 0 PRESSAVG: 754400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 754400 0 0 0 0 0 0 0 0 0 TIMING: 754400 CPU: 2983.09, 0.00395226/step Wall: 2983.09, 0.00395226/step, 1.91641 hours remaining, 112.503906 MB of memory in use. ENERGY: 754400 654.4571 1895.2355 1999.4305 114.0680 2.7192 -1069.7085 0.0000 0.0000 2720.3778 6316.5796 300.4733 3596.2018 6349.8111 300.7133 PRESSURE: 754600 0 0 0 0 0 0 0 0 0 GPRESSURE: 754600 0 0 0 0 0 0 0 0 0 PRESSAVG: 754600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 754600 0 0 0 0 0 0 0 0 0 TIMING: 754600 CPU: 2983.88, 0.00395091/step Wall: 2983.88, 0.00395091/step, 1.91553 hours remaining, 112.503906 MB of memory in use. ENERGY: 754600 630.2908 1848.4614 1995.6282 105.6233 3.0673 -1059.2484 0.0000 0.0000 2729.9561 6253.7787 301.5313 3523.8226 6287.7634 301.9750 PRESSURE: 754800 0 0 0 0 0 0 0 0 0 GPRESSURE: 754800 0 0 0 0 0 0 0 0 0 PRESSAVG: 754800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 754800 0 0 0 0 0 0 0 0 0 TIMING: 754800 CPU: 2984.67, 0.00395173/step Wall: 2984.67, 0.00395173/step, 1.91571 hours remaining, 112.503906 MB of memory in use. ENERGY: 754800 652.4253 1813.5051 1987.5246 116.1222 3.0701 -1056.5246 0.0000 0.0000 2711.8516 6227.9744 299.5316 3516.1228 6263.2331 298.8027 PRESSURE: 755000 0 0 0 0 0 0 0 0 0 GPRESSURE: 755000 0 0 0 0 0 0 0 0 0 PRESSAVG: 755000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 755000 0 0 0 0 0 0 0 0 0 TIMING: 755000 CPU: 2985.46, 0.00394565/step Wall: 2985.46, 0.00394565/step, 1.91255 hours remaining, 112.503906 MB of memory in use. ENERGY: 755000 657.4737 1827.0714 1991.1372 97.4661 2.8333 -1075.8554 0.0000 0.0000 2739.8415 6239.9677 302.6231 3500.1263 6275.6634 297.1539 PRESSURE: 755200 0 0 0 0 0 0 0 0 0 GPRESSURE: 755200 0 0 0 0 0 0 0 0 0 PRESSAVG: 755200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 755200 0 0 0 0 0 0 0 0 0 TIMING: 755200 CPU: 2986.25, 0.00395041/step Wall: 2986.25, 0.00395041/step, 1.91463 hours remaining, 112.503906 MB of memory in use. ENERGY: 755200 654.1005 1846.1752 1978.6430 103.2889 2.6669 -1044.7564 0.0000 0.0000 2681.8716 6221.9898 296.2202 3540.1181 6256.9935 299.0869 PRESSURE: 755400 0 0 0 0 0 0 0 0 0 GPRESSURE: 755400 0 0 0 0 0 0 0 0 0 PRESSAVG: 755400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 755400 0 0 0 0 0 0 0 0 0 TIMING: 755400 CPU: 2987.04, 0.00395072/step Wall: 2987.04, 0.00395072/step, 1.91457 hours remaining, 112.503906 MB of memory in use. ENERGY: 755400 639.7593 1818.6133 2008.1044 92.5611 1.3862 -1098.1159 0.0000 0.0000 2699.1199 6161.4282 298.1253 3462.3083 6196.7138 296.6503 PRESSURE: 755600 0 0 0 0 0 0 0 0 0 GPRESSURE: 755600 0 0 0 0 0 0 0 0 0 PRESSAVG: 755600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 755600 0 0 0 0 0 0 0 0 0 TIMING: 755600 CPU: 2987.83, 0.00394932/step Wall: 2987.83, 0.00394932/step, 1.91367 hours remaining, 112.503906 MB of memory in use. ENERGY: 755600 632.0086 1871.6258 1965.6800 115.2099 2.0416 -1064.0142 0.0000 0.0000 2636.9652 6159.5168 291.2602 3522.5516 6191.4633 294.9223 PRESSURE: 755800 0 0 0 0 0 0 0 0 0 GPRESSURE: 755800 0 0 0 0 0 0 0 0 0 PRESSAVG: 755800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 755800 0 0 0 0 0 0 0 0 0 TIMING: 755800 CPU: 2988.62, 0.00395052/step Wall: 2988.62, 0.00395052/step, 1.91403 hours remaining, 112.667969 MB of memory in use. ENERGY: 755800 633.5297 1811.4152 2002.3410 98.3006 2.1760 -1039.0801 0.0000 0.0000 2644.9669 6153.6495 292.1440 3508.6826 6187.1417 294.3035 PRESSURE: 756000 0 0 0 0 0 0 0 0 0 GPRESSURE: 756000 0 0 0 0 0 0 0 0 0 PRESSAVG: 756000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 756000 0 0 0 0 0 0 0 0 0 TIMING: 756000 CPU: 2989.41, 0.00394472/step Wall: 2989.41, 0.00394472/step, 1.911 hours remaining, 112.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 756000 657.1168 1818.4338 2007.3963 93.1996 1.0547 -1048.1934 0.0000 0.0000 2630.7185 6159.7263 290.5702 3529.0078 6190.6820 294.3095 PRESSURE: 756200 0 0 0 0 0 0 0 0 0 GPRESSURE: 756200 0 0 0 0 0 0 0 0 0 PRESSAVG: 756200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 756200 0 0 0 0 0 0 0 0 0 TIMING: 756200 CPU: 2990.2, 0.00394874/step Wall: 2990.2, 0.00394874/step, 1.91273 hours remaining, 112.667969 MB of memory in use. ENERGY: 756200 650.5216 1827.4957 2009.5374 97.1763 1.0851 -1078.2240 0.0000 0.0000 2613.3439 6120.9360 288.6511 3507.5921 6153.1728 293.2296 LDB: ============= START OF LOAD BALANCING ============== 2993.16 LDB: ============== END OF LOAD BALANCING =============== 2993.16 LDB: =============== DONE WITH MIGRATION ================ 2993.16 LDB: ============= START OF LOAD BALANCING ============== 2993.56 LDB: ============== END OF LOAD BALANCING =============== 2993.56 LDB: =============== DONE WITH MIGRATION ================ 2993.56 PRESSURE: 756400 0 0 0 0 0 0 0 0 0 GPRESSURE: 756400 0 0 0 0 0 0 0 0 0 PRESSAVG: 756400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 756400 0 0 0 0 0 0 0 0 0 TIMING: 756400 CPU: 2990.99, 0.00395473/step Wall: 2990.99, 0.00395473/step, 1.91541 hours remaining, 112.667969 MB of memory in use. ENERGY: 756400 641.3507 1800.2832 1972.1824 107.4541 1.8180 -1070.8731 0.0000 0.0000 2667.9503 6120.1657 294.6825 3452.2154 6154.5418 293.6607 PRESSURE: 756600 0 0 0 0 0 0 0 0 0 GPRESSURE: 756600 0 0 0 0 0 0 0 0 0 PRESSAVG: 756600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 756600 0 0 0 0 0 0 0 0 0 TIMING: 756600 CPU: 2991.78, 0.00395085/step Wall: 2991.78, 0.00395085/step, 1.91331 hours remaining, 112.671875 MB of memory in use. ENERGY: 756600 614.5200 1823.1542 2015.0494 96.2083 2.0362 -1053.8349 0.0000 0.0000 2637.3293 6134.4626 291.3004 3497.1333 6165.2364 293.7591 PRESSURE: 756800 0 0 0 0 0 0 0 0 0 GPRESSURE: 756800 0 0 0 0 0 0 0 0 0 PRESSAVG: 756800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 756800 0 0 0 0 0 0 0 0 0 TIMING: 756800 CPU: 2992.57, 0.00395007/step Wall: 2992.57, 0.00395007/step, 1.91271 hours remaining, 112.671875 MB of memory in use. ENERGY: 756800 664.0121 1785.2511 1963.5327 115.7972 1.9506 -1062.4736 0.0000 0.0000 2671.7876 6139.8577 295.1064 3468.0701 6174.1011 293.7608 PRESSURE: 757000 0 0 0 0 0 0 0 0 0 GPRESSURE: 757000 0 0 0 0 0 0 0 0 0 PRESSAVG: 757000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 757000 0 0 0 0 0 0 0 0 0 TIMING: 757000 CPU: 2993.36, 0.00394598/step Wall: 2993.36, 0.00394598/step, 1.91051 hours remaining, 112.671875 MB of memory in use. ENERGY: 757000 639.5963 1810.9397 1960.9703 97.3992 1.3268 -1057.9348 0.0000 0.0000 2648.2424 6100.5399 292.5057 3452.2975 6135.1410 293.6201 PRESSURE: 757200 0 0 0 0 0 0 0 0 0 GPRESSURE: 757200 0 0 0 0 0 0 0 0 0 PRESSAVG: 757200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 757200 0 0 0 0 0 0 0 0 0 TIMING: 757200 CPU: 2994.15, 0.00395036/step Wall: 2994.15, 0.00395036/step, 1.91241 hours remaining, 112.671875 MB of memory in use. ENERGY: 757200 659.4357 1790.4253 1986.3214 111.6549 2.5716 -1056.7660 0.0000 0.0000 2589.8917 6083.5345 286.0608 3493.6428 6113.6743 294.0237 PRESSURE: 757400 0 0 0 0 0 0 0 0 0 GPRESSURE: 757400 0 0 0 0 0 0 0 0 0 PRESSAVG: 757400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 757400 0 0 0 0 0 0 0 0 0 TIMING: 757400 CPU: 2994.94, 0.00394911/step Wall: 2994.94, 0.00394911/step, 1.91159 hours remaining, 112.671875 MB of memory in use. ENERGY: 757400 672.7750 1827.8555 1984.4325 111.0413 2.6872 -1089.3613 0.0000 0.0000 2621.6810 6131.1111 289.5720 3509.4302 6162.5549 293.7864 PRESSURE: 757600 0 0 0 0 0 0 0 0 0 GPRESSURE: 757600 0 0 0 0 0 0 0 0 0 PRESSAVG: 757600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 757600 0 0 0 0 0 0 0 0 0 TIMING: 757600 CPU: 2995.73, 0.00395107/step Wall: 2995.73, 0.00395106/step, 1.91232 hours remaining, 112.671875 MB of memory in use. ENERGY: 757600 628.6044 1818.6283 1978.5434 95.3150 1.0245 -1066.8576 0.0000 0.0000 2673.5612 6128.8193 295.3023 3455.2581 6162.7336 294.9719 PRESSURE: 757800 0 0 0 0 0 0 0 0 0 GPRESSURE: 757800 0 0 0 0 0 0 0 0 0 PRESSAVG: 757800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 757800 0 0 0 0 0 0 0 0 0 TIMING: 757800 CPU: 2996.52, 0.00394736/step Wall: 2996.52, 0.00394737/step, 1.91031 hours remaining, 112.671875 MB of memory in use. ENERGY: 757800 636.3940 1811.4262 1968.2953 97.7572 2.1077 -1068.8561 0.0000 0.0000 2724.4911 6171.6153 300.9276 3447.1242 6206.9077 294.1711 PRESSURE: 758000 0 0 0 0 0 0 0 0 0 GPRESSURE: 758000 0 0 0 0 0 0 0 0 0 PRESSAVG: 758000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 758000 0 0 0 0 0 0 0 0 0 TIMING: 758000 CPU: 2997.31, 0.00395121/step Wall: 2997.31, 0.00395121/step, 1.91194 hours remaining, 112.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 758000 693.5478 1819.4827 1985.6361 109.2433 2.2783 -1081.8639 0.0000 0.0000 2706.1424 6234.4667 298.9010 3528.3243 6265.5006 299.3883 PRESSURE: 758200 0 0 0 0 0 0 0 0 0 GPRESSURE: 758200 0 0 0 0 0 0 0 0 0 PRESSAVG: 758200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 758200 0 0 0 0 0 0 0 0 0 TIMING: 758200 CPU: 2998.1, 0.00395047/step Wall: 2998.1, 0.00395047/step, 1.91137 hours remaining, 112.671875 MB of memory in use. ENERGY: 758200 636.4462 1878.7196 1989.5051 115.3032 0.5657 -1112.1629 0.0000 0.0000 2692.4477 6200.8246 297.3884 3508.3768 6233.7928 300.0573 PRESSURE: 758400 0 0 0 0 0 0 0 0 0 GPRESSURE: 758400 0 0 0 0 0 0 0 0 0 PRESSAVG: 758400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 758400 0 0 0 0 0 0 0 0 0 TIMING: 758400 CPU: 2998.89, 0.00394875/step Wall: 2998.89, 0.00394875/step, 1.91032 hours remaining, 112.671875 MB of memory in use. ENERGY: 758400 668.0533 1824.5050 1977.4928 102.3490 1.8971 -1096.7248 0.0000 0.0000 2674.3001 6151.8724 295.3839 3477.5723 6183.5273 296.2830 PRESSURE: 758600 0 0 0 0 0 0 0 0 0 GPRESSURE: 758600 0 0 0 0 0 0 0 0 0 PRESSAVG: 758600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 758600 0 0 0 0 0 0 0 0 0 TIMING: 758600 CPU: 2999.68, 0.00395119/step Wall: 2999.68, 0.00395119/step, 1.91128 hours remaining, 112.675781 MB of memory in use. ENERGY: 758600 633.7057 1840.7946 1973.3740 108.3424 1.4822 -1082.9353 0.0000 0.0000 2646.7310 6121.4946 292.3388 3474.7636 6154.8133 294.4584 PRESSURE: 758800 0 0 0 0 0 0 0 0 0 GPRESSURE: 758800 0 0 0 0 0 0 0 0 0 PRESSAVG: 758800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 758800 0 0 0 0 0 0 0 0 0 TIMING: 758800 CPU: 3000.47, 0.00394682/step Wall: 3000.47, 0.00394682/step, 1.90895 hours remaining, 112.675781 MB of memory in use. ENERGY: 758800 664.7168 1799.0499 1962.3411 114.9748 1.4661 -1121.8362 0.0000 0.0000 2694.9124 6115.6249 297.6606 3420.7125 6149.9872 294.3401 PRESSURE: 759000 0 0 0 0 0 0 0 0 0 GPRESSURE: 759000 0 0 0 0 0 0 0 0 0 PRESSAVG: 759000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 759000 0 0 0 0 0 0 0 0 0 TIMING: 759000 CPU: 3001.26, 0.00395091/step Wall: 3001.26, 0.00395091/step, 1.9107 hours remaining, 112.679688 MB of memory in use. ENERGY: 759000 668.6304 1814.3542 1992.1168 101.4496 1.3494 -1102.8012 0.0000 0.0000 2674.1278 6149.2269 295.3649 3475.0991 6181.2884 295.2159 PRESSURE: 759200 0 0 0 0 0 0 0 0 0 GPRESSURE: 759200 0 0 0 0 0 0 0 0 0 PRESSAVG: 759200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 759200 0 0 0 0 0 0 0 0 0 TIMING: 759200 CPU: 3002.05, 0.00394935/step Wall: 3002.05, 0.00394935/step, 1.90973 hours remaining, 112.679688 MB of memory in use. ENERGY: 759200 670.2822 1847.8749 1995.9261 107.0096 0.3132 -1103.4194 0.0000 0.0000 2709.6363 6227.6229 299.2869 3517.9866 6258.8452 298.2981 PRESSURE: 759400 0 0 0 0 0 0 0 0 0 GPRESSURE: 759400 0 0 0 0 0 0 0 0 0 PRESSAVG: 759400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 759400 0 0 0 0 0 0 0 0 0 TIMING: 759400 CPU: 3002.84, 0.00394921/step Wall: 3002.84, 0.00394921/step, 1.90945 hours remaining, 112.679688 MB of memory in use. ENERGY: 759400 642.0530 1845.6405 2002.8781 107.1828 0.8370 -1094.0751 0.0000 0.0000 2769.2930 6273.8093 305.8761 3504.5163 6307.1864 300.8721 PRESSURE: 759600 0 0 0 0 0 0 0 0 0 GPRESSURE: 759600 0 0 0 0 0 0 0 0 0 PRESSAVG: 759600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 759600 0 0 0 0 0 0 0 0 0 TIMING: 759600 CPU: 3003.63, 0.00395115/step Wall: 3003.63, 0.00395115/step, 1.91016 hours remaining, 112.679688 MB of memory in use. ENERGY: 759600 634.2130 1809.1719 2011.0997 107.9285 1.3493 -1015.1997 0.0000 0.0000 2772.5081 6321.0707 306.2312 3548.5627 6353.8030 302.6500 PRESSURE: 759800 0 0 0 0 0 0 0 0 0 GPRESSURE: 759800 0 0 0 0 0 0 0 0 0 PRESSAVG: 759800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 759800 0 0 0 0 0 0 0 0 0 TIMING: 759800 CPU: 3004.42, 0.00394584/step Wall: 3004.42, 0.00394584/step, 1.90738 hours remaining, 112.679688 MB of memory in use. ENERGY: 759800 663.1966 1859.2919 1995.6998 100.0900 0.6830 -1064.2141 0.0000 0.0000 2748.6468 6303.3940 303.5957 3554.7472 6336.8620 303.5287 PRESSURE: 760000 0 0 0 0 0 0 0 0 0 GPRESSURE: 760000 0 0 0 0 0 0 0 0 0 PRESSAVG: 760000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 760000 0 0 0 0 0 0 0 0 0 TIMING: 760000 CPU: 3005.21, 0.00395226/step Wall: 3005.21, 0.00395226/step, 1.91026 hours remaining, 112.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 760000 655.9537 1875.1780 1972.0491 113.2379 0.6110 -1082.1499 0.0000 0.0000 2802.7765 6337.6563 309.5745 3534.8798 6372.6126 303.9088 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 760000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 760000 WRITING COORDINATES TO RESTART FILE AT STEP 760000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 760000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 760200 0 0 0 0 0 0 0 0 0 GPRESSURE: 760200 0 0 0 0 0 0 0 0 0 PRESSAVG: 760200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 760200 0 0 0 0 0 0 0 0 0 TIMING: 760200 CPU: 3006.03, 0.00410959/step Wall: 3006.03, 0.00410959/step, 1.98608 hours remaining, 112.820312 MB of memory in use. ENERGY: 760200 689.5872 1874.8253 1978.8463 102.0680 0.6672 -1073.7106 0.0000 0.0000 2758.1086 6330.3920 304.6408 3572.2834 6362.6974 305.9971 LDB: ============= START OF LOAD BALANCING ============== 3008.99 LDB: ============== END OF LOAD BALANCING =============== 3008.99 LDB: =============== DONE WITH MIGRATION ================ 3008.99 LDB: ============= START OF LOAD BALANCING ============== 3009.39 LDB: ============== END OF LOAD BALANCING =============== 3009.39 LDB: =============== DONE WITH MIGRATION ================ 3009.39 PRESSURE: 760400 0 0 0 0 0 0 0 0 0 GPRESSURE: 760400 0 0 0 0 0 0 0 0 0 PRESSAVG: 760400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 760400 0 0 0 0 0 0 0 0 0 TIMING: 760400 CPU: 3006.82, 0.00395298/step Wall: 3006.82, 0.00395298/step, 1.91017 hours remaining, 112.820312 MB of memory in use. ENERGY: 760400 674.3354 1856.3670 2013.4148 105.7429 0.9905 -1064.9505 0.0000 0.0000 2693.3632 6279.2633 297.4895 3585.9001 6311.5577 303.4618 PRESSURE: 760600 0 0 0 0 0 0 0 0 0 GPRESSURE: 760600 0 0 0 0 0 0 0 0 0 PRESSAVG: 760600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 760600 0 0 0 0 0 0 0 0 0 TIMING: 760600 CPU: 3007.61, 0.00395075/step Wall: 3007.61, 0.00395075/step, 1.90887 hours remaining, 112.828125 MB of memory in use. ENERGY: 760600 676.7860 1843.8287 2005.7578 107.4330 1.0192 -1095.3587 0.0000 0.0000 2712.7450 6252.2111 299.6302 3539.4660 6281.7032 301.8548 PRESSURE: 760800 0 0 0 0 0 0 0 0 0 GPRESSURE: 760800 0 0 0 0 0 0 0 0 0 PRESSAVG: 760800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 760800 0 0 0 0 0 0 0 0 0 TIMING: 760800 CPU: 3008.4, 0.00394536/step Wall: 3008.4, 0.00394536/step, 1.90605 hours remaining, 112.832031 MB of memory in use. ENERGY: 760800 660.7394 1865.9887 2007.3920 108.8931 2.7150 -1097.2338 0.0000 0.0000 2724.5030 6272.9973 300.9289 3548.4943 6305.3446 301.4197 PRESSURE: 761000 0 0 0 0 0 0 0 0 0 GPRESSURE: 761000 0 0 0 0 0 0 0 0 0 PRESSAVG: 761000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 761000 0 0 0 0 0 0 0 0 0 TIMING: 761000 CPU: 3009.19, 0.00394949/step Wall: 3009.19, 0.00394949/step, 1.90783 hours remaining, 112.832031 MB of memory in use. ENERGY: 761000 652.4453 1798.7802 1995.4537 114.3733 1.3062 -1086.5758 0.0000 0.0000 2762.1704 6237.9533 305.0894 3475.7829 6271.8180 300.5424 PRESSURE: 761200 0 0 0 0 0 0 0 0 0 GPRESSURE: 761200 0 0 0 0 0 0 0 0 0 PRESSAVG: 761200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 761200 0 0 0 0 0 0 0 0 0 TIMING: 761200 CPU: 3009.98, 0.00394924/step Wall: 3009.98, 0.00394924/step, 1.90748 hours remaining, 112.832031 MB of memory in use. ENERGY: 761200 644.8963 1822.9504 2025.5975 113.1032 2.3022 -1090.6667 0.0000 0.0000 2748.8951 6267.0779 303.6231 3518.1828 6297.5081 302.2109 PRESSURE: 761400 0 0 0 0 0 0 0 0 0 GPRESSURE: 761400 0 0 0 0 0 0 0 0 0 PRESSAVG: 761400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 761400 0 0 0 0 0 0 0 0 0 TIMING: 761400 CPU: 3010.77, 0.00395171/step Wall: 3010.77, 0.00395171/step, 1.90846 hours remaining, 112.832031 MB of memory in use. ENERGY: 761400 657.0752 1855.9837 2000.7046 101.2451 2.2987 -1062.6464 0.0000 0.0000 2657.5616 6212.2225 293.5351 3554.6609 6241.6572 300.9040 PRESSURE: 761600 0 0 0 0 0 0 0 0 0 GPRESSURE: 761600 0 0 0 0 0 0 0 0 0 PRESSAVG: 761600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 761600 0 0 0 0 0 0 0 0 0 TIMING: 761600 CPU: 3011.56, 0.00394644/step Wall: 3011.56, 0.00394644/step, 1.90569 hours remaining, 112.832031 MB of memory in use. ENERGY: 761600 628.6568 1791.5422 1970.2297 112.3347 1.7622 -1063.1056 0.0000 0.0000 2749.8711 6191.2911 303.7309 3441.4200 6224.6961 297.2111 PRESSURE: 761800 0 0 0 0 0 0 0 0 0 GPRESSURE: 761800 0 0 0 0 0 0 0 0 0 PRESSAVG: 761800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 761800 0 0 0 0 0 0 0 0 0 TIMING: 761800 CPU: 3012.35, 0.00394969/step Wall: 3012.35, 0.00394969/step, 1.90704 hours remaining, 112.832031 MB of memory in use. ENERGY: 761800 654.8877 1838.0544 1998.8197 96.2780 1.8145 -1069.0124 0.0000 0.0000 2639.6461 6160.4881 291.5563 3520.8420 6191.9578 295.9601 PRESSURE: 762000 0 0 0 0 0 0 0 0 0 GPRESSURE: 762000 0 0 0 0 0 0 0 0 0 PRESSAVG: 762000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 762000 0 0 0 0 0 0 0 0 0 TIMING: 762000 CPU: 3013.14, 0.00395059/step Wall: 3013.14, 0.00395059/step, 1.90726 hours remaining, 112.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 762000 633.1050 1824.1188 2007.9358 108.2874 2.3673 -1098.9911 0.0000 0.0000 2676.2271 6153.0503 295.5967 3476.8232 6185.0345 295.3950 PRESSURE: 762200 0 0 0 0 0 0 0 0 0 GPRESSURE: 762200 0 0 0 0 0 0 0 0 0 PRESSAVG: 762200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 762200 0 0 0 0 0 0 0 0 0 TIMING: 762200 CPU: 3013.93, 0.00394951/step Wall: 3013.93, 0.00394951/step, 1.90652 hours remaining, 112.835938 MB of memory in use. ENERGY: 762200 635.8798 1873.3544 2009.7180 113.3355 1.1841 -1109.9606 0.0000 0.0000 2739.2757 6262.7870 302.5606 3523.5112 6294.9520 297.4973 PRESSURE: 762400 0 0 0 0 0 0 0 0 0 GPRESSURE: 762400 0 0 0 0 0 0 0 0 0 PRESSAVG: 762400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 762400 0 0 0 0 0 0 0 0 0 TIMING: 762400 CPU: 3014.72, 0.003949/step Wall: 3014.72, 0.003949/step, 1.90605 hours remaining, 112.835938 MB of memory in use. ENERGY: 762400 661.1753 1872.4896 1997.1086 136.1820 1.6498 -1112.4908 0.0000 0.0000 2715.7801 6271.8947 299.9655 3556.1146 6302.2299 301.1299 PRESSURE: 762600 0 0 0 0 0 0 0 0 0 GPRESSURE: 762600 0 0 0 0 0 0 0 0 0 PRESSAVG: 762600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 762600 0 0 0 0 0 0 0 0 0 TIMING: 762600 CPU: 3015.51, 0.00394403/step Wall: 3015.51, 0.00394403/step, 1.90343 hours remaining, 112.835938 MB of memory in use. ENERGY: 762600 663.9673 1834.6281 2000.9930 107.9685 1.8733 -1051.5897 0.0000 0.0000 2723.6895 6281.5300 300.8391 3557.8405 6314.9526 301.8692 PRESSURE: 762800 0 0 0 0 0 0 0 0 0 GPRESSURE: 762800 0 0 0 0 0 0 0 0 0 PRESSAVG: 762800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 762800 0 0 0 0 0 0 0 0 0 TIMING: 762800 CPU: 3016.3, 0.00395002/step Wall: 3016.3, 0.00395001/step, 1.9061 hours remaining, 112.835938 MB of memory in use. ENERGY: 762800 624.7863 1875.0196 2013.7470 97.5678 1.4931 -1030.0107 0.0000 0.0000 2765.2957 6347.8987 305.4346 3582.6030 6382.3457 304.1271 PRESSURE: 763000 0 0 0 0 0 0 0 0 0 GPRESSURE: 763000 0 0 0 0 0 0 0 0 0 PRESSAVG: 763000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 763000 0 0 0 0 0 0 0 0 0 TIMING: 763000 CPU: 3017.09, 0.0039509/step Wall: 3017.09, 0.00395091/step, 1.90631 hours remaining, 112.835938 MB of memory in use. ENERGY: 763000 677.1464 1842.6441 1989.4313 108.2777 0.5591 -1088.1463 0.0000 0.0000 2762.4175 6292.3299 305.1167 3529.9124 6324.2164 304.5366 PRESSURE: 763200 0 0 0 0 0 0 0 0 0 GPRESSURE: 763200 0 0 0 0 0 0 0 0 0 PRESSAVG: 763200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 763200 0 0 0 0 0 0 0 0 0 TIMING: 763200 CPU: 3017.88, 0.00395105/step Wall: 3017.88, 0.00395105/step, 1.90616 hours remaining, 112.835938 MB of memory in use. ENERGY: 763200 662.5357 1831.2257 1979.5472 103.4639 3.3071 -1077.5706 0.0000 0.0000 2741.1097 6243.6188 302.7632 3502.5091 6277.0153 302.5618 PRESSURE: 763400 0 0 0 0 0 0 0 0 0 GPRESSURE: 763400 0 0 0 0 0 0 0 0 0 PRESSAVG: 763400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 763400 0 0 0 0 0 0 0 0 0 TIMING: 763400 CPU: 3018.67, 0.00395628/step Wall: 3018.67, 0.00395628/step, 1.90847 hours remaining, 112.835938 MB of memory in use. ENERGY: 763400 658.4882 1849.8024 1974.5201 101.5352 2.7309 -1068.6561 0.0000 0.0000 2726.6316 6245.0523 301.1641 3518.4207 6277.1223 300.3660 PRESSURE: 763600 0 0 0 0 0 0 0 0 0 GPRESSURE: 763600 0 0 0 0 0 0 0 0 0 PRESSAVG: 763600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 763600 0 0 0 0 0 0 0 0 0 TIMING: 763600 CPU: 3019.46, 0.00394896/step Wall: 3019.46, 0.00394896/step, 1.90471 hours remaining, 112.835938 MB of memory in use. ENERGY: 763600 667.4227 1856.9391 1974.0017 112.9224 2.4766 -1106.3581 0.0000 0.0000 2710.7252 6218.1295 299.4071 3507.4043 6249.4333 299.4976 PRESSURE: 763800 0 0 0 0 0 0 0 0 0 GPRESSURE: 763800 0 0 0 0 0 0 0 0 0 PRESSAVG: 763800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 763800 0 0 0 0 0 0 0 0 0 TIMING: 763800 CPU: 3020.25, 0.00395375/step Wall: 3020.25, 0.00395375/step, 1.90681 hours remaining, 112.835938 MB of memory in use. ENERGY: 763800 676.4257 1879.8765 1995.6114 100.2938 3.0417 -1122.7922 0.0000 0.0000 2708.4838 6240.9407 299.1596 3532.4569 6273.3524 300.2541 PRESSURE: 764000 0 0 0 0 0 0 0 0 0 GPRESSURE: 764000 0 0 0 0 0 0 0 0 0 PRESSAVG: 764000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 764000 0 0 0 0 0 0 0 0 0 TIMING: 764000 CPU: 3021.04, 0.00395329/step Wall: 3021.04, 0.00395329/step, 1.90636 hours remaining, 112.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 764000 654.5757 1829.8382 1985.4782 97.0732 2.8905 -1103.4371 0.0000 0.0000 2729.7472 6196.1660 301.5082 3466.4188 6229.7781 299.4116 PRESSURE: 764200 0 0 0 0 0 0 0 0 0 GPRESSURE: 764200 0 0 0 0 0 0 0 0 0 PRESSAVG: 764200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 764200 0 0 0 0 0 0 0 0 0 TIMING: 764200 CPU: 3021.83, 0.00395249/step Wall: 3021.83, 0.00395249/step, 1.90576 hours remaining, 112.835938 MB of memory in use. ENERGY: 764200 675.8709 1828.7435 2030.6833 104.9837 2.7666 -1118.0084 0.0000 0.0000 2731.3630 6256.4026 301.6867 3525.0396 6289.9220 298.9063 LDB: ============= START OF LOAD BALANCING ============== 3024.79 LDB: ============== END OF LOAD BALANCING =============== 3024.79 LDB: =============== DONE WITH MIGRATION ================ 3024.79 LDB: ============= START OF LOAD BALANCING ============== 3025.19 LDB: ============== END OF LOAD BALANCING =============== 3025.19 LDB: =============== DONE WITH MIGRATION ================ 3025.19 PRESSURE: 764400 0 0 0 0 0 0 0 0 0 GPRESSURE: 764400 0 0 0 0 0 0 0 0 0 PRESSAVG: 764400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 764400 0 0 0 0 0 0 0 0 0 TIMING: 764400 CPU: 3022.62, 0.00395793/step Wall: 3022.62, 0.00395793/step, 1.90816 hours remaining, 112.835938 MB of memory in use. ENERGY: 764400 647.8328 1823.8742 1984.6420 114.2822 1.4622 -1045.5565 0.0000 0.0000 2725.4811 6252.0180 301.0370 3526.5369 6285.6998 299.6820 PRESSURE: 764600 0 0 0 0 0 0 0 0 0 GPRESSURE: 764600 0 0 0 0 0 0 0 0 0 PRESSAVG: 764600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 764600 0 0 0 0 0 0 0 0 0 TIMING: 764600 CPU: 3023.41, 0.00394867/step Wall: 3023.41, 0.00394867/step, 1.90348 hours remaining, 112.835938 MB of memory in use. ENERGY: 764600 693.8659 1852.7151 1992.4597 104.5098 1.2067 -1099.8967 0.0000 0.0000 2717.7851 6262.6456 300.1869 3544.8604 6295.6851 300.9600 PRESSURE: 764800 0 0 0 0 0 0 0 0 0 GPRESSURE: 764800 0 0 0 0 0 0 0 0 0 PRESSAVG: 764800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 764800 0 0 0 0 0 0 0 0 0 TIMING: 764800 CPU: 3024.21, 0.00395419/step Wall: 3024.21, 0.00395419/step, 1.90592 hours remaining, 112.835938 MB of memory in use. ENERGY: 764800 649.5004 1798.6909 2010.8035 102.5132 1.3701 -1085.7394 0.0000 0.0000 2793.7743 6270.9131 308.5802 3477.1388 6306.8139 302.8409 PRESSURE: 765000 0 0 0 0 0 0 0 0 0 GPRESSURE: 765000 0 0 0 0 0 0 0 0 0 PRESSAVG: 765000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 765000 0 0 0 0 0 0 0 0 0 TIMING: 765000 CPU: 3025, 0.00395426/step Wall: 3025, 0.00395425/step, 1.90573 hours remaining, 112.835938 MB of memory in use. ENERGY: 765000 676.0942 1790.9048 1987.8671 107.9969 1.2184 -1089.8865 0.0000 0.0000 2780.8816 6255.0765 307.1561 3474.1949 6291.7164 300.5826 PRESSURE: 765200 0 0 0 0 0 0 0 0 0 GPRESSURE: 765200 0 0 0 0 0 0 0 0 0 PRESSAVG: 765200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 765200 0 0 0 0 0 0 0 0 0 TIMING: 765200 CPU: 3025.79, 0.00395548/step Wall: 3025.79, 0.00395549/step, 1.90611 hours remaining, 112.835938 MB of memory in use. ENERGY: 765200 643.5944 1821.3815 1983.6250 112.6682 2.6096 -1066.4168 0.0000 0.0000 2752.3243 6249.7862 304.0019 3497.4619 6284.1307 298.4208 PRESSURE: 765400 0 0 0 0 0 0 0 0 0 GPRESSURE: 765400 0 0 0 0 0 0 0 0 0 PRESSAVG: 765400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 765400 0 0 0 0 0 0 0 0 0 TIMING: 765400 CPU: 3026.58, 0.00394886/step Wall: 3026.58, 0.00394886/step, 1.90269 hours remaining, 112.835938 MB of memory in use. ENERGY: 765400 672.8551 1849.8217 1959.7191 99.3735 3.5236 -1099.9253 0.0000 0.0000 2702.9315 6188.2990 298.5463 3485.3676 6220.1088 298.2920 PRESSURE: 765600 0 0 0 0 0 0 0 0 0 GPRESSURE: 765600 0 0 0 0 0 0 0 0 0 PRESSAVG: 765600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 765600 0 0 0 0 0 0 0 0 0 TIMING: 765600 CPU: 3027.37, 0.0039531/step Wall: 3027.37, 0.0039531/step, 1.90452 hours remaining, 112.839844 MB of memory in use. ENERGY: 765600 648.7909 1842.3253 1980.8545 96.3282 2.3494 -1076.0211 0.0000 0.0000 2704.7327 6199.3599 298.7453 3494.6272 6231.3833 298.6418 PRESSURE: 765800 0 0 0 0 0 0 0 0 0 GPRESSURE: 765800 0 0 0 0 0 0 0 0 0 PRESSAVG: 765800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 765800 0 0 0 0 0 0 0 0 0 TIMING: 765800 CPU: 3028.16, 0.00395264/step Wall: 3028.16, 0.00395264/step, 1.90407 hours remaining, 112.839844 MB of memory in use. ENERGY: 765800 674.2713 1835.5308 1964.4408 101.6094 1.8554 -1074.5889 0.0000 0.0000 2694.7742 6197.8930 297.6453 3503.1188 6233.9754 297.8999 PRESSURE: 766000 0 0 0 0 0 0 0 0 0 GPRESSURE: 766000 0 0 0 0 0 0 0 0 0 PRESSAVG: 766000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 766000 0 0 0 0 0 0 0 0 0 TIMING: 766000 CPU: 3028.95, 0.00395208/step Wall: 3028.95, 0.00395208/step, 1.90359 hours remaining, 112.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 766000 640.0010 1837.4670 1968.0045 105.5136 0.5802 -1060.2053 0.0000 0.0000 2697.1227 6188.4838 297.9047 3491.3611 6218.7946 297.1297 PRESSURE: 766200 0 0 0 0 0 0 0 0 0 GPRESSURE: 766200 0 0 0 0 0 0 0 0 0 PRESSAVG: 766200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 766200 0 0 0 0 0 0 0 0 0 TIMING: 766200 CPU: 3029.74, 0.00395175/step Wall: 3029.74, 0.00395175/step, 1.90321 hours remaining, 112.839844 MB of memory in use. ENERGY: 766200 626.0421 1818.4616 1979.1452 107.0884 1.0766 -1097.7845 0.0000 0.0000 2686.0381 6120.0675 296.6804 3434.0294 6152.4883 295.6152 PRESSURE: 766400 0 0 0 0 0 0 0 0 0 GPRESSURE: 766400 0 0 0 0 0 0 0 0 0 PRESSAVG: 766400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 766400 0 0 0 0 0 0 0 0 0 TIMING: 766400 CPU: 3030.53, 0.00394839/step Wall: 3030.53, 0.00394839/step, 1.90137 hours remaining, 112.839844 MB of memory in use. ENERGY: 766400 650.7891 1799.6488 1956.5163 100.0517 2.8261 -1053.4915 0.0000 0.0000 2681.5680 6137.9085 296.1867 3456.3405 6170.0556 293.7172 PRESSURE: 766600 0 0 0 0 0 0 0 0 0 GPRESSURE: 766600 0 0 0 0 0 0 0 0 0 PRESSAVG: 766600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 766600 0 0 0 0 0 0 0 0 0 TIMING: 766600 CPU: 3031.32, 0.00395478/step Wall: 3031.32, 0.00395478/step, 1.90423 hours remaining, 112.839844 MB of memory in use. ENERGY: 766600 630.0893 1861.9006 1958.0579 107.1950 1.9707 -1069.8855 0.0000 0.0000 2639.1281 6128.4561 291.4991 3489.3280 6160.0959 295.4156 PRESSURE: 766800 0 0 0 0 0 0 0 0 0 GPRESSURE: 766800 0 0 0 0 0 0 0 0 0 PRESSAVG: 766800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 766800 0 0 0 0 0 0 0 0 0 TIMING: 766800 CPU: 3032.11, 0.00395407/step Wall: 3032.11, 0.00395406/step, 1.90366 hours remaining, 112.839844 MB of memory in use. ENERGY: 766800 620.1333 1809.9120 1995.2547 111.4529 2.6152 -1053.1424 0.0000 0.0000 2632.9439 6119.1696 290.8160 3486.2257 6152.3722 293.3309 PRESSURE: 767000 0 0 0 0 0 0 0 0 0 GPRESSURE: 767000 0 0 0 0 0 0 0 0 0 PRESSAVG: 767000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 767000 0 0 0 0 0 0 0 0 0 TIMING: 767000 CPU: 3032.9, 0.00395239/step Wall: 3032.9, 0.0039524/step, 1.90264 hours remaining, 112.839844 MB of memory in use. ENERGY: 767000 643.4385 1796.3254 1975.4205 108.9505 1.2087 -1057.8143 0.0000 0.0000 2702.4624 6169.9917 298.4945 3467.5292 6204.4831 293.5581 PRESSURE: 767200 0 0 0 0 0 0 0 0 0 GPRESSURE: 767200 0 0 0 0 0 0 0 0 0 PRESSAVG: 767200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 767200 0 0 0 0 0 0 0 0 0 TIMING: 767200 CPU: 3033.69, 0.00395236/step Wall: 3033.69, 0.00395235/step, 1.9024 hours remaining, 112.839844 MB of memory in use. ENERGY: 767200 660.8491 1805.7980 2010.7038 102.8857 2.3741 -1097.3434 0.0000 0.0000 2727.3581 6212.6254 301.2443 3485.2674 6245.0746 295.8457 PRESSURE: 767400 0 0 0 0 0 0 0 0 0 GPRESSURE: 767400 0 0 0 0 0 0 0 0 0 PRESSAVG: 767400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 767400 0 0 0 0 0 0 0 0 0 TIMING: 767400 CPU: 3034.48, 0.00394724/step Wall: 3034.48, 0.00394725/step, 1.89972 hours remaining, 112.839844 MB of memory in use. ENERGY: 767400 661.8155 1823.7766 1978.3714 107.3489 1.7575 -1078.0768 0.0000 0.0000 2718.4800 6213.4730 300.2637 3494.9931 6246.5486 298.8000 PRESSURE: 767600 0 0 0 0 0 0 0 0 0 GPRESSURE: 767600 0 0 0 0 0 0 0 0 0 PRESSAVG: 767600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 767600 0 0 0 0 0 0 0 0 0 TIMING: 767600 CPU: 3035.27, 0.00395422/step Wall: 3035.27, 0.00395422/step, 1.90286 hours remaining, 112.839844 MB of memory in use. ENERGY: 767600 630.4388 1830.5018 1974.2865 110.5244 0.8034 -1043.7071 0.0000 0.0000 2672.6363 6175.4842 295.2001 3502.8478 6206.7463 298.2992 PRESSURE: 767800 0 0 0 0 0 0 0 0 0 GPRESSURE: 767800 0 0 0 0 0 0 0 0 0 PRESSAVG: 767800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 767800 0 0 0 0 0 0 0 0 0 TIMING: 767800 CPU: 3036.06, 0.00395629/step Wall: 3036.06, 0.00395629/step, 1.90364 hours remaining, 112.839844 MB of memory in use. ENERGY: 767800 662.9268 1765.8008 1992.0372 104.6095 2.4512 -1080.6545 0.0000 0.0000 2728.0013 6175.1723 301.3153 3447.1710 6210.7464 296.4783 PRESSURE: 768000 0 0 0 0 0 0 0 0 0 GPRESSURE: 768000 0 0 0 0 0 0 0 0 0 PRESSAVG: 768000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 768000 0 0 0 0 0 0 0 0 0 TIMING: 768000 CPU: 3036.85, 0.00395352/step Wall: 3036.85, 0.00395352/step, 1.90208 hours remaining, 112.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 768000 655.0339 1833.5598 1995.8131 103.9284 1.6922 -1063.8533 0.0000 0.0000 2712.1282 6238.3024 299.5621 3526.1742 6271.4248 298.2397 PRESSURE: 768200 0 0 0 0 0 0 0 0 0 GPRESSURE: 768200 0 0 0 0 0 0 0 0 0 PRESSAVG: 768200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 768200 0 0 0 0 0 0 0 0 0 TIMING: 768200 CPU: 3037.64, 0.00395434/step Wall: 3037.64, 0.00395434/step, 1.90226 hours remaining, 112.839844 MB of memory in use. ENERGY: 768200 638.2958 1871.1355 2000.8587 126.7331 0.8428 -1072.1409 0.0000 0.0000 2665.2812 6231.0062 294.3877 3565.7250 6264.5170 299.1630 LDB: ============= START OF LOAD BALANCING ============== 3040.6 LDB: ============== END OF LOAD BALANCING =============== 3040.6 LDB: =============== DONE WITH MIGRATION ================ 3040.6 LDB: ============= START OF LOAD BALANCING ============== 3041 LDB: ============== END OF LOAD BALANCING =============== 3041 LDB: =============== DONE WITH MIGRATION ================ 3041 PRESSURE: 768400 0 0 0 0 0 0 0 0 0 GPRESSURE: 768400 0 0 0 0 0 0 0 0 0 PRESSAVG: 768400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 768400 0 0 0 0 0 0 0 0 0 TIMING: 768400 CPU: 3038.44, 0.00395469/step Wall: 3038.44, 0.00395469/step, 1.90221 hours remaining, 112.839844 MB of memory in use. ENERGY: 768400 654.2781 1808.8830 1989.3831 105.7029 0.6218 -1078.0348 0.0000 0.0000 2747.2983 6228.1323 303.4468 3480.8340 6263.7779 298.9806 PRESSURE: 768600 0 0 0 0 0 0 0 0 0 GPRESSURE: 768600 0 0 0 0 0 0 0 0 0 PRESSAVG: 768600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 768600 0 0 0 0 0 0 0 0 0 TIMING: 768600 CPU: 3039.23, 0.0039553/step Wall: 3039.23, 0.0039553/step, 1.90228 hours remaining, 112.839844 MB of memory in use. ENERGY: 768600 634.1368 1865.6306 1999.7019 107.8737 1.7013 -1055.5905 0.0000 0.0000 2652.1614 6205.6153 292.9386 3553.4539 6235.1598 296.6447 PRESSURE: 768800 0 0 0 0 0 0 0 0 0 GPRESSURE: 768800 0 0 0 0 0 0 0 0 0 PRESSAVG: 768800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 768800 0 0 0 0 0 0 0 0 0 TIMING: 768800 CPU: 3040.02, 0.00395453/step Wall: 3040.02, 0.00395453/step, 1.90169 hours remaining, 112.839844 MB of memory in use. ENERGY: 768800 648.4587 1847.8608 1999.0625 108.0229 0.4627 -1075.4608 0.0000 0.0000 2662.2135 6190.6204 294.0489 3528.4069 6220.6311 296.7209 PRESSURE: 769000 0 0 0 0 0 0 0 0 0 GPRESSURE: 769000 0 0 0 0 0 0 0 0 0 PRESSAVG: 769000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 769000 0 0 0 0 0 0 0 0 0 TIMING: 769000 CPU: 3040.81, 0.00395529/step Wall: 3040.81, 0.00395529/step, 1.90183 hours remaining, 112.839844 MB of memory in use. ENERGY: 769000 661.4503 1833.3891 1974.5325 120.0210 1.7719 -1086.7312 0.0000 0.0000 2747.5726 6252.0062 303.4770 3504.4336 6285.6692 300.3919 PRESSURE: 769200 0 0 0 0 0 0 0 0 0 GPRESSURE: 769200 0 0 0 0 0 0 0 0 0 PRESSAVG: 769200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 769200 0 0 0 0 0 0 0 0 0 TIMING: 769200 CPU: 3041.6, 0.00394892/step Wall: 3041.6, 0.00394892/step, 1.89856 hours remaining, 112.839844 MB of memory in use. ENERGY: 769200 639.7243 1847.5418 1968.9266 108.2630 0.5700 -1072.7328 0.0000 0.0000 2723.5106 6215.8034 300.8193 3492.2928 6248.6097 299.6506 PRESSURE: 769400 0 0 0 0 0 0 0 0 0 GPRESSURE: 769400 0 0 0 0 0 0 0 0 0 PRESSAVG: 769400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 769400 0 0 0 0 0 0 0 0 0 TIMING: 769400 CPU: 3042.39, 0.00396522/step Wall: 3042.39, 0.00396522/step, 1.90617 hours remaining, 112.839844 MB of memory in use. ENERGY: 769400 639.9036 1799.7565 1987.7066 118.9589 2.8722 -1072.5250 0.0000 0.0000 2727.2181 6203.8910 301.2288 3476.6729 6237.0887 297.2730 PRESSURE: 769600 0 0 0 0 0 0 0 0 0 GPRESSURE: 769600 0 0 0 0 0 0 0 0 0 PRESSAVG: 769600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 769600 0 0 0 0 0 0 0 0 0 TIMING: 769600 CPU: 3043.18, 0.00395759/step Wall: 3043.18, 0.00395759/step, 1.90228 hours remaining, 112.886719 MB of memory in use. ENERGY: 769600 649.0159 1788.4171 2020.7040 101.9549 0.7768 -1059.2293 0.0000 0.0000 2760.8493 6262.4888 304.9435 3501.6395 6299.5982 299.2887 PRESSURE: 769800 0 0 0 0 0 0 0 0 0 GPRESSURE: 769800 0 0 0 0 0 0 0 0 0 PRESSAVG: 769800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 769800 0 0 0 0 0 0 0 0 0 TIMING: 769800 CPU: 3043.97, 0.00395444/step Wall: 3043.97, 0.00395444/step, 1.90055 hours remaining, 112.894531 MB of memory in use. ENERGY: 769800 656.4071 1839.9625 2027.4919 108.3199 0.3114 -1043.7228 0.0000 0.0000 2698.9683 6287.7383 298.1086 3588.7700 6317.9422 300.4646 PRESSURE: 770000 0 0 0 0 0 0 0 0 0 GPRESSURE: 770000 0 0 0 0 0 0 0 0 0 PRESSAVG: 770000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 770000 0 0 0 0 0 0 0 0 0 TIMING: 770000 CPU: 3044.76, 0.00395445/step Wall: 3044.76, 0.00395445/step, 1.90033 hours remaining, 113.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 770000 631.2673 1845.1317 1990.4701 113.8863 0.7295 -1051.3181 0.0000 0.0000 2710.5448 6240.7115 299.3872 3530.1668 6274.4022 299.8914 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 770000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 770000 WRITING COORDINATES TO RESTART FILE AT STEP 770000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 770000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 770200 0 0 0 0 0 0 0 0 0 GPRESSURE: 770200 0 0 0 0 0 0 0 0 0 PRESSAVG: 770200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 770200 0 0 0 0 0 0 0 0 0 TIMING: 770200 CPU: 3045.59, 0.00412746/step Wall: 3045.59, 0.00412746/step, 1.98324 hours remaining, 113.042969 MB of memory in use. ENERGY: 770200 652.2159 1769.5770 1972.6034 106.9457 -0.1315 -1047.6676 0.0000 0.0000 2774.6146 6228.1576 306.4639 3453.5429 6263.3117 298.7771 PRESSURE: 770400 0 0 0 0 0 0 0 0 0 GPRESSURE: 770400 0 0 0 0 0 0 0 0 0 PRESSAVG: 770400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 770400 0 0 0 0 0 0 0 0 0 TIMING: 770400 CPU: 3046.38, 0.00395283/step Wall: 3046.38, 0.00395283/step, 1.89912 hours remaining, 113.042969 MB of memory in use. ENERGY: 770400 646.5795 1818.4737 1974.9859 96.6371 -0.1196 -1069.2569 0.0000 0.0000 2695.9482 6163.2480 297.7750 3467.2998 6197.3693 297.7297 PRESSURE: 770600 0 0 0 0 0 0 0 0 0 GPRESSURE: 770600 0 0 0 0 0 0 0 0 0 PRESSAVG: 770600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 770600 0 0 0 0 0 0 0 0 0 TIMING: 770600 CPU: 3047.17, 0.00395199/step Wall: 3047.17, 0.00395199/step, 1.89849 hours remaining, 113.042969 MB of memory in use. ENERGY: 770600 658.4844 1811.4830 2006.5258 93.6454 -0.6798 -1070.1932 0.0000 0.0000 2715.8972 6215.1628 299.9784 3499.2656 6248.4124 297.3287 PRESSURE: 770800 0 0 0 0 0 0 0 0 0 GPRESSURE: 770800 0 0 0 0 0 0 0 0 0 PRESSAVG: 770800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 770800 0 0 0 0 0 0 0 0 0 TIMING: 770800 CPU: 3047.96, 0.00394975/step Wall: 3047.96, 0.00394975/step, 1.8972 hours remaining, 113.042969 MB of memory in use. ENERGY: 770800 674.6337 1806.2717 2009.2437 115.4243 0.4313 -1094.5338 0.0000 0.0000 2675.4517 6186.9225 295.5111 3511.4708 6219.1621 298.3314 PRESSURE: 771000 0 0 0 0 0 0 0 0 0 GPRESSURE: 771000 0 0 0 0 0 0 0 0 0 PRESSAVG: 771000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 771000 0 0 0 0 0 0 0 0 0 TIMING: 771000 CPU: 3048.75, 0.00395149/step Wall: 3048.75, 0.00395149/step, 1.89781 hours remaining, 113.042969 MB of memory in use. ENERGY: 771000 643.2956 1797.2851 1987.6290 119.1374 0.2544 -1038.2208 0.0000 0.0000 2722.4178 6231.7984 300.6986 3509.3807 6267.4643 296.8190 PRESSURE: 771200 0 0 0 0 0 0 0 0 0 GPRESSURE: 771200 0 0 0 0 0 0 0 0 0 PRESSAVG: 771200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 771200 0 0 0 0 0 0 0 0 0 TIMING: 771200 CPU: 3049.54, 0.00394875/step Wall: 3049.54, 0.00394875/step, 1.89628 hours remaining, 113.042969 MB of memory in use. ENERGY: 771200 654.9680 1807.2648 1976.7046 108.7379 0.5511 -1054.5384 0.0000 0.0000 2719.3671 6213.0551 300.3617 3493.6880 6250.8239 298.3257 PRESSURE: 771400 0 0 0 0 0 0 0 0 0 GPRESSURE: 771400 0 0 0 0 0 0 0 0 0 PRESSAVG: 771400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 771400 0 0 0 0 0 0 0 0 0 TIMING: 771400 CPU: 3050.33, 0.0039519/step Wall: 3050.33, 0.0039519/step, 1.89757 hours remaining, 113.042969 MB of memory in use. ENERGY: 771400 616.2838 1832.6726 1978.2953 123.2990 -0.3622 -1030.0967 0.0000 0.0000 2704.4900 6224.5818 298.7185 3520.0918 6257.1265 298.4365 PRESSURE: 771600 0 0 0 0 0 0 0 0 0 GPRESSURE: 771600 0 0 0 0 0 0 0 0 0 PRESSAVG: 771600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 771600 0 0 0 0 0 0 0 0 0 TIMING: 771600 CPU: 3051.12, 0.00395129/step Wall: 3051.12, 0.00395129/step, 1.89706 hours remaining, 113.050781 MB of memory in use. ENERGY: 771600 651.0586 1850.2501 1967.8245 111.8353 0.0364 -1082.4137 0.0000 0.0000 2701.2941 6199.8852 298.3655 3498.5911 6232.5321 297.5782 PRESSURE: 771800 0 0 0 0 0 0 0 0 0 GPRESSURE: 771800 0 0 0 0 0 0 0 0 0 PRESSAVG: 771800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 771800 0 0 0 0 0 0 0 0 0 TIMING: 771800 CPU: 3051.91, 0.00395021/step Wall: 3051.91, 0.00395021/step, 1.89632 hours remaining, 113.054688 MB of memory in use. ENERGY: 771800 630.4563 1816.8018 1984.0481 110.4669 -0.4605 -1071.2552 0.0000 0.0000 2687.6610 6157.7184 296.8596 3470.0574 6192.8621 295.7246 PRESSURE: 772000 0 0 0 0 0 0 0 0 0 GPRESSURE: 772000 0 0 0 0 0 0 0 0 0 PRESSAVG: 772000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 772000 0 0 0 0 0 0 0 0 0 TIMING: 772000 CPU: 3052.7, 0.00394993/step Wall: 3052.7, 0.00394993/step, 1.89596 hours remaining, 113.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 772000 689.3540 1892.2223 1979.2482 94.5832 -0.9384 -1125.7631 0.0000 0.0000 2662.1008 6190.8071 294.0364 3528.7063 6220.2340 296.6281 PRESSURE: 772200 0 0 0 0 0 0 0 0 0 GPRESSURE: 772200 0 0 0 0 0 0 0 0 0 PRESSAVG: 772200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 772200 0 0 0 0 0 0 0 0 0 TIMING: 772200 CPU: 3053.49, 0.00394615/step Wall: 3053.49, 0.00394615/step, 1.89393 hours remaining, 113.058594 MB of memory in use. ENERGY: 772200 629.0939 1818.9186 1982.2040 104.3469 0.0111 -1057.9925 0.0000 0.0000 2696.9872 6173.5692 297.8897 3476.5820 6206.5644 296.9960 LDB: ============= START OF LOAD BALANCING ============== 3056.45 LDB: ============== END OF LOAD BALANCING =============== 3056.45 LDB: =============== DONE WITH MIGRATION ================ 3056.45 LDB: ============= START OF LOAD BALANCING ============== 3056.85 LDB: ============== END OF LOAD BALANCING =============== 3056.85 LDB: =============== DONE WITH MIGRATION ================ 3056.85 PRESSURE: 772400 0 0 0 0 0 0 0 0 0 GPRESSURE: 772400 0 0 0 0 0 0 0 0 0 PRESSAVG: 772400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 772400 0 0 0 0 0 0 0 0 0 TIMING: 772400 CPU: 3054.28, 0.00395496/step Wall: 3054.28, 0.00395496/step, 1.89794 hours remaining, 113.058594 MB of memory in use. ENERGY: 772400 634.9593 1861.6237 2015.6428 102.2182 0.2993 -1069.1217 0.0000 0.0000 2588.4215 6134.0431 285.8984 3545.6216 6162.1070 293.5988 PRESSURE: 772600 0 0 0 0 0 0 0 0 0 GPRESSURE: 772600 0 0 0 0 0 0 0 0 0 PRESSAVG: 772600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 772600 0 0 0 0 0 0 0 0 0 TIMING: 772600 CPU: 3055.07, 0.00395197/step Wall: 3055.07, 0.00395197/step, 1.89629 hours remaining, 113.058594 MB of memory in use. ENERGY: 772600 633.5430 1797.5851 1990.1510 96.4980 0.7433 -1029.2970 0.0000 0.0000 2639.3367 6128.5601 291.5221 3489.2234 6161.1920 294.5119 PRESSURE: 772800 0 0 0 0 0 0 0 0 0 GPRESSURE: 772800 0 0 0 0 0 0 0 0 0 PRESSAVG: 772800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 772800 0 0 0 0 0 0 0 0 0 TIMING: 772800 CPU: 3055.86, 0.00394933/step Wall: 3055.86, 0.00394933/step, 1.8948 hours remaining, 113.058594 MB of memory in use. ENERGY: 772800 676.2782 1819.2183 1931.3868 99.0483 0.9178 -1050.8871 0.0000 0.0000 2610.0878 6086.0502 288.2915 3475.9623 6116.1158 291.7618 PRESSURE: 773000 0 0 0 0 0 0 0 0 0 GPRESSURE: 773000 0 0 0 0 0 0 0 0 0 PRESSAVG: 773000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 773000 0 0 0 0 0 0 0 0 0 TIMING: 773000 CPU: 3056.65, 0.00394958/step Wall: 3056.65, 0.00394958/step, 1.8947 hours remaining, 113.058594 MB of memory in use. ENERGY: 773000 655.7347 1748.5973 1993.4660 106.3258 2.0553 -1072.9104 0.0000 0.0000 2609.2666 6042.5353 288.2008 3433.2687 6077.5659 287.9732 PRESSURE: 773200 0 0 0 0 0 0 0 0 0 GPRESSURE: 773200 0 0 0 0 0 0 0 0 0 PRESSAVG: 773200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 773200 0 0 0 0 0 0 0 0 0 TIMING: 773200 CPU: 3057.44, 0.00394936/step Wall: 3057.44, 0.00394936/step, 1.89438 hours remaining, 113.058594 MB of memory in use. ENERGY: 773200 604.3793 1803.7991 1985.5351 102.5238 0.5418 -1071.4142 0.0000 0.0000 2587.3718 6012.7367 285.7824 3425.3649 6043.7902 288.0257 PRESSURE: 773400 0 0 0 0 0 0 0 0 0 GPRESSURE: 773400 0 0 0 0 0 0 0 0 0 PRESSAVG: 773400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 773400 0 0 0 0 0 0 0 0 0 TIMING: 773400 CPU: 3058.23, 0.00394991/step Wall: 3058.23, 0.00394991/step, 1.89442 hours remaining, 113.058594 MB of memory in use. ENERGY: 773400 628.6274 1772.3100 1954.2556 96.3222 -0.0922 -1051.7041 0.0000 0.0000 2668.6487 6068.3675 294.7597 3399.7188 6102.7487 289.4712 PRESSURE: 773600 0 0 0 0 0 0 0 0 0 GPRESSURE: 773600 0 0 0 0 0 0 0 0 0 PRESSAVG: 773600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 773600 0 0 0 0 0 0 0 0 0 TIMING: 773600 CPU: 3059.02, 0.0039651/step Wall: 3059.02, 0.0039651/step, 1.90148 hours remaining, 113.058594 MB of memory in use. ENERGY: 773600 630.8312 1784.2214 2013.5903 118.4950 0.1890 -1066.6573 0.0000 0.0000 2648.3117 6128.9812 292.5134 3480.6695 6159.8494 293.5703 PRESSURE: 773800 0 0 0 0 0 0 0 0 0 GPRESSURE: 773800 0 0 0 0 0 0 0 0 0 PRESSAVG: 773800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 773800 0 0 0 0 0 0 0 0 0 TIMING: 773800 CPU: 3059.81, 0.00395067/step Wall: 3059.81, 0.00395067/step, 1.89435 hours remaining, 113.058594 MB of memory in use. ENERGY: 773800 648.7850 1784.9087 1985.0580 103.1443 0.3583 -1085.1900 0.0000 0.0000 2677.7621 6114.8264 295.7663 3437.0642 6147.8255 292.9003 PRESSURE: 774000 0 0 0 0 0 0 0 0 0 GPRESSURE: 774000 0 0 0 0 0 0 0 0 0 PRESSAVG: 774000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 774000 0 0 0 0 0 0 0 0 0 TIMING: 774000 CPU: 3060.6, 0.00394722/step Wall: 3060.6, 0.00394722/step, 1.89247 hours remaining, 113.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 774000 643.1740 1884.2132 1944.4487 117.4245 -0.1564 -1094.9883 0.0000 0.0000 2594.7917 6088.9074 286.6020 3494.1157 6119.7410 293.7796 PRESSURE: 774200 0 0 0 0 0 0 0 0 0 GPRESSURE: 774200 0 0 0 0 0 0 0 0 0 PRESSAVG: 774200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 774200 0 0 0 0 0 0 0 0 0 TIMING: 774200 CPU: 3061.39, 0.00395107/step Wall: 3061.39, 0.00395107/step, 1.8941 hours remaining, 113.058594 MB of memory in use. ENERGY: 774200 643.2417 1784.1164 1989.8070 104.2618 1.0242 -1040.1710 0.0000 0.0000 2618.5311 6100.8112 289.2240 3482.2802 6134.7606 291.1867 PRESSURE: 774400 0 0 0 0 0 0 0 0 0 GPRESSURE: 774400 0 0 0 0 0 0 0 0 0 PRESSAVG: 774400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 774400 0 0 0 0 0 0 0 0 0 TIMING: 774400 CPU: 3062.18, 0.003952/step Wall: 3062.18, 0.003952/step, 1.89433 hours remaining, 113.058594 MB of memory in use. ENERGY: 774400 696.7643 1837.3766 1980.4052 100.1786 0.7894 -1097.9802 0.0000 0.0000 2676.4460 6193.9798 295.6209 3517.5338 6223.8076 294.7567 PRESSURE: 774600 0 0 0 0 0 0 0 0 0 GPRESSURE: 774600 0 0 0 0 0 0 0 0 0 PRESSAVG: 774600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 774600 0 0 0 0 0 0 0 0 0 TIMING: 774600 CPU: 3062.98, 0.0039511/step Wall: 3062.98, 0.0039511/step, 1.89368 hours remaining, 113.058594 MB of memory in use. ENERGY: 774600 660.9440 1808.1361 1974.7048 101.1862 0.1553 -1077.7305 0.0000 0.0000 2698.0542 6165.4500 298.0076 3467.3958 6198.3051 297.3069 PRESSURE: 774800 0 0 0 0 0 0 0 0 0 GPRESSURE: 774800 0 0 0 0 0 0 0 0 0 PRESSAVG: 774800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 774800 0 0 0 0 0 0 0 0 0 TIMING: 774800 CPU: 3063.77, 0.00395102/step Wall: 3063.77, 0.00395102/step, 1.89342 hours remaining, 113.058594 MB of memory in use. ENERGY: 774800 638.5067 1764.1963 2022.9545 111.6033 -0.0203 -1067.5281 0.0000 0.0000 2719.0708 6188.7831 300.3289 3469.7124 6220.8058 295.5525 PRESSURE: 775000 0 0 0 0 0 0 0 0 0 GPRESSURE: 775000 0 0 0 0 0 0 0 0 0 PRESSAVG: 775000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 775000 0 0 0 0 0 0 0 0 0 TIMING: 775000 CPU: 3064.55, 0.00394813/step Wall: 3064.55, 0.00394813/step, 1.89181 hours remaining, 113.058594 MB of memory in use. ENERGY: 775000 616.7317 1848.4882 1981.8321 101.9783 0.0549 -1042.5397 0.0000 0.0000 2707.8371 6214.3827 299.0882 3506.5456 6247.9575 296.8447 PRESSURE: 775200 0 0 0 0 0 0 0 0 0 GPRESSURE: 775200 0 0 0 0 0 0 0 0 0 PRESSAVG: 775200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 775200 0 0 0 0 0 0 0 0 0 TIMING: 775200 CPU: 3065.35, 0.00395207/step Wall: 3065.35, 0.00395207/step, 1.89348 hours remaining, 113.058594 MB of memory in use. ENERGY: 775200 646.6295 1815.8535 1985.6730 106.4170 -0.0153 -1069.7492 0.0000 0.0000 2689.9937 6174.8020 297.1173 3484.8083 6208.5023 296.6631 PRESSURE: 775400 0 0 0 0 0 0 0 0 0 GPRESSURE: 775400 0 0 0 0 0 0 0 0 0 PRESSAVG: 775400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 775400 0 0 0 0 0 0 0 0 0 TIMING: 775400 CPU: 3066.14, 0.00395193/step Wall: 3066.14, 0.00395193/step, 1.89319 hours remaining, 113.058594 MB of memory in use. ENERGY: 775400 675.8527 1760.5116 2017.6547 98.6001 0.6796 -1049.4460 0.0000 0.0000 2739.6476 6243.5002 302.6017 3503.8526 6279.5883 298.4200 PRESSURE: 775600 0 0 0 0 0 0 0 0 0 GPRESSURE: 775600 0 0 0 0 0 0 0 0 0 PRESSAVG: 775600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 775600 0 0 0 0 0 0 0 0 0 TIMING: 775600 CPU: 3066.93, 0.00394911/step Wall: 3066.93, 0.00394911/step, 1.89162 hours remaining, 113.058594 MB of memory in use. ENERGY: 775600 657.0384 1787.1742 1973.1128 118.4303 0.1619 -1045.1781 0.0000 0.0000 2779.0915 6269.8310 306.9584 3490.7395 6304.8952 299.8441 PRESSURE: 775800 0 0 0 0 0 0 0 0 0 GPRESSURE: 775800 0 0 0 0 0 0 0 0 0 PRESSAVG: 775800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 775800 0 0 0 0 0 0 0 0 0 TIMING: 775800 CPU: 3067.72, 0.00395118/step Wall: 3067.72, 0.00395118/step, 1.8924 hours remaining, 113.062500 MB of memory in use. ENERGY: 775800 658.5563 1838.8202 1997.3401 112.4666 0.3318 -1047.1487 0.0000 0.0000 2727.5567 6287.9230 301.2662 3560.3663 6321.2528 300.8329 PRESSURE: 776000 0 0 0 0 0 0 0 0 0 GPRESSURE: 776000 0 0 0 0 0 0 0 0 0 PRESSAVG: 776000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 776000 0 0 0 0 0 0 0 0 0 TIMING: 776000 CPU: 3068.51, 0.00394897/step Wall: 3068.51, 0.00394897/step, 1.89112 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 776000 698.5034 1865.3054 2003.6377 109.0868 -0.5653 -1119.6093 0.0000 0.0000 2714.0721 6270.4308 299.7768 3556.3587 6301.2491 302.1174 PRESSURE: 776200 0 0 0 0 0 0 0 0 0 GPRESSURE: 776200 0 0 0 0 0 0 0 0 0 PRESSAVG: 776200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 776200 0 0 0 0 0 0 0 0 0 TIMING: 776200 CPU: 3069.3, 0.00395104/step Wall: 3069.3, 0.00395104/step, 1.89189 hours remaining, 113.062500 MB of memory in use. ENERGY: 776200 663.5261 1817.4748 1988.7657 102.3583 -0.0712 -1094.3613 0.0000 0.0000 2753.0738 6230.7661 304.0847 3477.6923 6263.8164 301.3137 LDB: ============= START OF LOAD BALANCING ============== 3072.26 LDB: ============== END OF LOAD BALANCING =============== 3072.26 LDB: =============== DONE WITH MIGRATION ================ 3072.26 LDB: ============= START OF LOAD BALANCING ============== 3072.65 LDB: ============== END OF LOAD BALANCING =============== 3072.65 LDB: =============== DONE WITH MIGRATION ================ 3072.65 PRESSURE: 776400 0 0 0 0 0 0 0 0 0 GPRESSURE: 776400 0 0 0 0 0 0 0 0 0 PRESSAVG: 776400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 776400 0 0 0 0 0 0 0 0 0 TIMING: 776400 CPU: 3070.09, 0.00395559/step Wall: 3070.09, 0.00395559/step, 1.89385 hours remaining, 113.062500 MB of memory in use. ENERGY: 776400 651.1760 1820.9675 1980.0114 131.1853 0.1854 -1112.6739 0.0000 0.0000 2698.0511 6168.9027 298.0073 3470.8516 6202.1128 299.1042 PRESSURE: 776600 0 0 0 0 0 0 0 0 0 GPRESSURE: 776600 0 0 0 0 0 0 0 0 0 PRESSAVG: 776600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 776600 0 0 0 0 0 0 0 0 0 TIMING: 776600 CPU: 3070.88, 0.00395055/step Wall: 3070.88, 0.00395055/step, 1.89122 hours remaining, 113.062500 MB of memory in use. ENERGY: 776600 627.4068 1865.5944 1977.8506 126.6622 -0.0204 -1083.4361 0.0000 0.0000 2702.4260 6216.4835 298.4905 3514.0575 6249.4348 297.0094 PRESSURE: 776800 0 0 0 0 0 0 0 0 0 GPRESSURE: 776800 0 0 0 0 0 0 0 0 0 PRESSAVG: 776800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 776800 0 0 0 0 0 0 0 0 0 TIMING: 776800 CPU: 3071.67, 0.00394861/step Wall: 3071.67, 0.00394861/step, 1.89007 hours remaining, 113.062500 MB of memory in use. ENERGY: 776800 651.9486 1845.0127 1975.6603 105.7615 2.2222 -1112.1934 0.0000 0.0000 2724.6163 6193.0281 300.9415 3468.4118 6225.1218 297.9996 PRESSURE: 777000 0 0 0 0 0 0 0 0 0 GPRESSURE: 777000 0 0 0 0 0 0 0 0 0 PRESSAVG: 777000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 777000 0 0 0 0 0 0 0 0 0 TIMING: 777000 CPU: 3072.46, 0.00395143/step Wall: 3072.46, 0.00395143/step, 1.8912 hours remaining, 113.062500 MB of memory in use. ENERGY: 777000 615.9476 1845.7301 2003.8126 104.4347 0.9626 -1065.7977 0.0000 0.0000 2648.7161 6153.8060 292.5581 3505.0899 6185.9341 296.1317 PRESSURE: 777200 0 0 0 0 0 0 0 0 0 GPRESSURE: 777200 0 0 0 0 0 0 0 0 0 PRESSAVG: 777200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 777200 0 0 0 0 0 0 0 0 0 TIMING: 777200 CPU: 3073.25, 0.00395057/step Wall: 3073.25, 0.00395057/step, 1.89057 hours remaining, 113.062500 MB of memory in use. ENERGY: 777200 637.8869 1806.2446 2018.6419 104.6200 1.1845 -1039.2779 0.0000 0.0000 2649.5345 6178.8346 292.6485 3529.3001 6212.0284 296.4164 PRESSURE: 777400 0 0 0 0 0 0 0 0 0 GPRESSURE: 777400 0 0 0 0 0 0 0 0 0 PRESSAVG: 777400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 777400 0 0 0 0 0 0 0 0 0 TIMING: 777400 CPU: 3074.04, 0.00395139/step Wall: 3074.04, 0.00395139/step, 1.89074 hours remaining, 113.062500 MB of memory in use. ENERGY: 777400 643.1390 1845.1049 1999.3942 111.0537 2.0465 -1050.0621 0.0000 0.0000 2652.3551 6203.0312 292.9600 3550.6761 6234.4987 295.9516 PRESSURE: 777600 0 0 0 0 0 0 0 0 0 GPRESSURE: 777600 0 0 0 0 0 0 0 0 0 PRESSAVG: 777600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 777600 0 0 0 0 0 0 0 0 0 TIMING: 777600 CPU: 3074.83, 0.00394886/step Wall: 3074.83, 0.00394886/step, 1.88931 hours remaining, 113.062500 MB of memory in use. ENERGY: 777600 634.4011 1863.6825 1994.0084 101.1109 1.1428 -1066.2040 0.0000 0.0000 2691.1951 6219.3367 297.2500 3528.1416 6252.7324 296.9458 PRESSURE: 777800 0 0 0 0 0 0 0 0 0 GPRESSURE: 777800 0 0 0 0 0 0 0 0 0 PRESSAVG: 777800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 777800 0 0 0 0 0 0 0 0 0 TIMING: 777800 CPU: 3075.62, 0.00394696/step Wall: 3075.62, 0.00394696/step, 1.88818 hours remaining, 113.062500 MB of memory in use. ENERGY: 777800 639.8096 1832.1058 2008.8012 113.1491 1.0049 -1058.4139 0.0000 0.0000 2662.9790 6199.4358 294.1334 3536.4568 6233.4730 297.3211 PRESSURE: 778000 0 0 0 0 0 0 0 0 0 GPRESSURE: 778000 0 0 0 0 0 0 0 0 0 PRESSAVG: 778000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 778000 0 0 0 0 0 0 0 0 0 TIMING: 778000 CPU: 3076.41, 0.00395157/step Wall: 3076.41, 0.00395157/step, 1.89017 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 778000 621.7502 1857.2917 1993.6637 97.3659 -0.3880 -1085.2604 0.0000 0.0000 2775.0895 6259.5126 306.5164 3484.4231 6293.5667 297.8369 PRESSURE: 778200 0 0 0 0 0 0 0 0 0 GPRESSURE: 778200 0 0 0 0 0 0 0 0 0 PRESSAVG: 778200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 778200 0 0 0 0 0 0 0 0 0 TIMING: 778200 CPU: 3077.2, 0.00395057/step Wall: 3077.2, 0.00395057/step, 1.88947 hours remaining, 113.062500 MB of memory in use. ENERGY: 778200 680.2650 1793.9830 2005.1314 101.5084 -1.1729 -1102.1204 0.0000 0.0000 2795.4493 6273.0438 308.7652 3477.5945 6312.1408 302.1210 PRESSURE: 778400 0 0 0 0 0 0 0 0 0 GPRESSURE: 778400 0 0 0 0 0 0 0 0 0 PRESSAVG: 778400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 778400 0 0 0 0 0 0 0 0 0 TIMING: 778400 CPU: 3077.99, 0.00394942/step Wall: 3077.99, 0.00394942/step, 1.8887 hours remaining, 113.062500 MB of memory in use. ENERGY: 778400 657.1426 1881.2525 2023.2416 109.2605 0.7642 -1105.6087 0.0000 0.0000 2731.3727 6297.4254 301.6877 3566.0527 6329.6160 303.3942 PRESSURE: 778600 0 0 0 0 0 0 0 0 0 GPRESSURE: 778600 0 0 0 0 0 0 0 0 0 PRESSAVG: 778600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 778600 0 0 0 0 0 0 0 0 0 TIMING: 778600 CPU: 3078.78, 0.00395059/step Wall: 3078.78, 0.00395059/step, 1.88904 hours remaining, 113.062500 MB of memory in use. ENERGY: 778600 712.7769 1827.5597 2024.4009 104.6178 1.2677 -1098.8671 0.0000 0.0000 2714.4163 6286.1723 299.8148 3571.7560 6317.5665 303.1191 PRESSURE: 778800 0 0 0 0 0 0 0 0 0 GPRESSURE: 778800 0 0 0 0 0 0 0 0 0 PRESSAVG: 778800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 778800 0 0 0 0 0 0 0 0 0 TIMING: 778800 CPU: 3079.57, 0.00394776/step Wall: 3079.57, 0.00394776/step, 1.88747 hours remaining, 113.062500 MB of memory in use. ENERGY: 778800 625.9527 1862.4407 1979.6038 102.9263 2.6403 -1078.7843 0.0000 0.0000 2787.1752 6281.9546 307.8513 3494.7794 6314.6574 301.2983 PRESSURE: 779000 0 0 0 0 0 0 0 0 0 GPRESSURE: 779000 0 0 0 0 0 0 0 0 0 PRESSAVG: 779000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 779000 0 0 0 0 0 0 0 0 0 TIMING: 779000 CPU: 3080.36, 0.0039501/step Wall: 3080.36, 0.0039501/step, 1.88837 hours remaining, 113.062500 MB of memory in use. ENERGY: 779000 656.4992 1870.4552 2003.4104 110.3417 3.2010 -1056.4253 0.0000 0.0000 2707.7849 6295.2670 299.0824 3587.4822 6325.9849 302.5208 PRESSURE: 779200 0 0 0 0 0 0 0 0 0 GPRESSURE: 779200 0 0 0 0 0 0 0 0 0 PRESSAVG: 779200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 779200 0 0 0 0 0 0 0 0 0 TIMING: 779200 CPU: 3081.15, 0.00395112/step Wall: 3081.15, 0.00395112/step, 1.88863 hours remaining, 113.062500 MB of memory in use. ENERGY: 779200 690.6035 1872.4448 1971.1572 96.7693 1.4756 -1058.7555 0.0000 0.0000 2712.4962 6286.1911 299.6028 3573.6949 6319.2894 301.3755 PRESSURE: 779400 0 0 0 0 0 0 0 0 0 GPRESSURE: 779400 0 0 0 0 0 0 0 0 0 PRESSAVG: 779400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 779400 0 0 0 0 0 0 0 0 0 TIMING: 779400 CPU: 3081.94, 0.00394931/step Wall: 3081.94, 0.00394931/step, 1.88755 hours remaining, 113.062500 MB of memory in use. ENERGY: 779400 677.0985 1834.7962 1997.6778 108.4439 2.4606 -1106.4034 0.0000 0.0000 2725.4364 6239.5098 301.0320 3514.0734 6272.8221 302.5665 PRESSURE: 779600 0 0 0 0 0 0 0 0 0 GPRESSURE: 779600 0 0 0 0 0 0 0 0 0 PRESSAVG: 779600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 779600 0 0 0 0 0 0 0 0 0 TIMING: 779600 CPU: 3082.73, 0.00395054/step Wall: 3082.73, 0.00395054/step, 1.88792 hours remaining, 113.062500 MB of memory in use. ENERGY: 779600 625.7630 1850.4927 1998.3549 107.7608 2.2643 -1071.7049 0.0000 0.0000 2714.4986 6227.4294 299.8239 3512.9308 6261.8470 301.4309 PRESSURE: 779800 0 0 0 0 0 0 0 0 0 GPRESSURE: 779800 0 0 0 0 0 0 0 0 0 PRESSAVG: 779800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 779800 0 0 0 0 0 0 0 0 0 TIMING: 779800 CPU: 3083.52, 0.00394803/step Wall: 3083.52, 0.00394803/step, 1.8865 hours remaining, 113.062500 MB of memory in use. ENERGY: 779800 635.7122 1824.9135 1979.4987 104.5839 2.8241 -1074.7459 0.0000 0.0000 2727.1209 6199.9074 301.2181 3472.7865 6234.9089 298.1543 PRESSURE: 780000 0 0 0 0 0 0 0 0 0 GPRESSURE: 780000 0 0 0 0 0 0 0 0 0 PRESSAVG: 780000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 780000 0 0 0 0 0 0 0 0 0 TIMING: 780000 CPU: 3084.31, 0.0039519/step Wall: 3084.31, 0.0039519/step, 1.88813 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 780000 653.4397 1821.7976 1975.3296 95.8020 2.6259 -1104.2046 0.0000 0.0000 2724.4913 6169.2814 300.9277 3444.7902 6203.2931 296.3900 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 780000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 780000 WRITING COORDINATES TO RESTART FILE AT STEP 780000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 780000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 780200 0 0 0 0 0 0 0 0 0 GPRESSURE: 780200 0 0 0 0 0 0 0 0 0 PRESSAVG: 780200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 780200 0 0 0 0 0 0 0 0 0 TIMING: 780200 CPU: 3085.18, 0.00438925/step Wall: 3085.18, 0.00438925/step, 2.09684 hours remaining, 113.062500 MB of memory in use. ENERGY: 780200 674.1718 1818.0490 1988.0281 103.4975 1.5355 -1078.4269 0.0000 0.0000 2758.7501 6265.6051 304.7116 3506.8549 6299.6739 298.3445 LDB: ============= START OF LOAD BALANCING ============== 3088.14 LDB: ============== END OF LOAD BALANCING =============== 3088.14 LDB: =============== DONE WITH MIGRATION ================ 3088.14 LDB: ============= START OF LOAD BALANCING ============== 3088.54 LDB: ============== END OF LOAD BALANCING =============== 3088.54 LDB: =============== DONE WITH MIGRATION ================ 3088.54 PRESSURE: 780400 0 0 0 0 0 0 0 0 0 GPRESSURE: 780400 0 0 0 0 0 0 0 0 0 PRESSAVG: 780400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 780400 0 0 0 0 0 0 0 0 0 TIMING: 780400 CPU: 3085.98, 0.00395792/step Wall: 3085.98, 0.00395792/step, 1.89057 hours remaining, 113.062500 MB of memory in use. ENERGY: 780400 657.1474 1833.9151 1995.7166 111.1532 2.5547 -1058.8482 0.0000 0.0000 2707.4994 6249.1382 299.0508 3541.6388 6282.9929 300.0160 PRESSURE: 780600 0 0 0 0 0 0 0 0 0 GPRESSURE: 780600 0 0 0 0 0 0 0 0 0 PRESSAVG: 780600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 780600 0 0 0 0 0 0 0 0 0 TIMING: 780600 CPU: 3086.77, 0.00395214/step Wall: 3086.77, 0.00395214/step, 1.88759 hours remaining, 113.062500 MB of memory in use. ENERGY: 780600 662.5478 1821.0229 2037.4792 101.9965 3.5197 -1072.7207 0.0000 0.0000 2723.7946 6277.6399 300.8507 3553.8453 6313.3972 300.2014 PRESSURE: 780800 0 0 0 0 0 0 0 0 0 GPRESSURE: 780800 0 0 0 0 0 0 0 0 0 PRESSAVG: 780800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 780800 0 0 0 0 0 0 0 0 0 TIMING: 780800 CPU: 3087.56, 0.00394811/step Wall: 3087.56, 0.00394811/step, 1.88544 hours remaining, 113.062500 MB of memory in use. ENERGY: 780800 706.9911 1845.7396 1999.3264 116.3120 3.9660 -1071.8434 0.0000 0.0000 2705.5881 6306.0798 298.8397 3600.4917 6338.2756 302.4545 PRESSURE: 781000 0 0 0 0 0 0 0 0 0 GPRESSURE: 781000 0 0 0 0 0 0 0 0 0 PRESSAVG: 781000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 781000 0 0 0 0 0 0 0 0 0 TIMING: 781000 CPU: 3088.35, 0.00395234/step Wall: 3088.35, 0.00395234/step, 1.88724 hours remaining, 113.062500 MB of memory in use. ENERGY: 781000 702.6863 1871.9048 1961.8294 103.1179 3.2875 -1075.3262 0.0000 0.0000 2727.8667 6295.3663 301.3005 3567.4996 6329.0717 300.8064 PRESSURE: 781200 0 0 0 0 0 0 0 0 0 GPRESSURE: 781200 0 0 0 0 0 0 0 0 0 PRESSAVG: 781200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 781200 0 0 0 0 0 0 0 0 0 TIMING: 781200 CPU: 3089.14, 0.00395334/step Wall: 3089.14, 0.00395334/step, 1.8875 hours remaining, 113.062500 MB of memory in use. ENERGY: 781200 676.0388 1840.7909 1991.2757 113.1244 1.4788 -1049.4325 0.0000 0.0000 2692.1872 6265.4634 297.3596 3573.2762 6297.0834 300.8340 PRESSURE: 781400 0 0 0 0 0 0 0 0 0 GPRESSURE: 781400 0 0 0 0 0 0 0 0 0 PRESSAVG: 781400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 781400 0 0 0 0 0 0 0 0 0 TIMING: 781400 CPU: 3089.93, 0.00395195/step Wall: 3089.93, 0.00395195/step, 1.88662 hours remaining, 113.062500 MB of memory in use. ENERGY: 781400 645.1717 1855.8075 1987.2678 98.9077 1.4228 -1061.0601 0.0000 0.0000 2754.6308 6282.1482 304.2566 3527.5174 6315.3883 300.8312 PRESSURE: 781600 0 0 0 0 0 0 0 0 0 GPRESSURE: 781600 0 0 0 0 0 0 0 0 0 PRESSAVG: 781600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 781600 0 0 0 0 0 0 0 0 0 TIMING: 781600 CPU: 3090.72, 0.00394719/step Wall: 3090.72, 0.00394719/step, 1.88412 hours remaining, 113.062500 MB of memory in use. ENERGY: 781600 668.4813 1842.2558 1992.7177 113.5547 2.3073 -1050.8965 0.0000 0.0000 2704.7882 6273.2086 298.7514 3568.4204 6306.4009 300.1588 PRESSURE: 781800 0 0 0 0 0 0 0 0 0 GPRESSURE: 781800 0 0 0 0 0 0 0 0 0 PRESSAVG: 781800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 781800 0 0 0 0 0 0 0 0 0 TIMING: 781800 CPU: 3091.51, 0.0039529/step Wall: 3091.51, 0.0039529/step, 1.88663 hours remaining, 113.062500 MB of memory in use. ENERGY: 781800 673.0810 1812.1650 2008.1466 112.3831 0.7990 -1080.8856 0.0000 0.0000 2724.6579 6250.3471 300.9461 3525.6892 6281.3903 299.8013 PRESSURE: 782000 0 0 0 0 0 0 0 0 0 GPRESSURE: 782000 0 0 0 0 0 0 0 0 0 PRESSAVG: 782000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 782000 0 0 0 0 0 0 0 0 0 TIMING: 782000 CPU: 3092.3, 0.0039528/step Wall: 3092.3, 0.0039528/step, 1.88637 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 782000 655.1904 1860.3203 2006.4841 113.4304 2.8423 -1059.9692 0.0000 0.0000 2696.0677 6274.3659 297.7882 3578.2983 6306.0884 300.1098 PRESSURE: 782200 0 0 0 0 0 0 0 0 0 GPRESSURE: 782200 0 0 0 0 0 0 0 0 0 PRESSAVG: 782200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 782200 0 0 0 0 0 0 0 0 0 TIMING: 782200 CPU: 3093.09, 0.00395398/step Wall: 3093.09, 0.00395398/step, 1.88671 hours remaining, 113.062500 MB of memory in use. ENERGY: 782200 655.3701 1868.2898 1994.6669 97.0802 2.2419 -1078.7158 0.0000 0.0000 2678.1798 6217.1128 295.8124 3538.9331 6250.6679 299.3917 PRESSURE: 782400 0 0 0 0 0 0 0 0 0 GPRESSURE: 782400 0 0 0 0 0 0 0 0 0 PRESSAVG: 782400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 782400 0 0 0 0 0 0 0 0 0 TIMING: 782400 CPU: 3093.88, 0.00395208/step Wall: 3093.88, 0.00395208/step, 1.88558 hours remaining, 113.062500 MB of memory in use. ENERGY: 782400 628.4789 1887.4479 1962.3376 101.4778 2.8405 -1071.1869 0.0000 0.0000 2762.3075 6273.7036 305.1046 3511.3960 6306.5722 300.9163 PRESSURE: 782600 0 0 0 0 0 0 0 0 0 GPRESSURE: 782600 0 0 0 0 0 0 0 0 0 PRESSAVG: 782600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 782600 0 0 0 0 0 0 0 0 0 TIMING: 782600 CPU: 3094.67, 0.00394992/step Wall: 3094.67, 0.00394992/step, 1.88433 hours remaining, 113.062500 MB of memory in use. ENERGY: 782600 668.4000 1863.5479 2001.0356 110.1483 3.1424 -1079.7698 0.0000 0.0000 2742.7917 6309.2962 302.9490 3566.5045 6343.9763 302.6969 PRESSURE: 782800 0 0 0 0 0 0 0 0 0 GPRESSURE: 782800 0 0 0 0 0 0 0 0 0 PRESSAVG: 782800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 782800 0 0 0 0 0 0 0 0 0 TIMING: 782800 CPU: 3095.46, 0.00395512/step Wall: 3095.46, 0.00395512/step, 1.88659 hours remaining, 113.062500 MB of memory in use. ENERGY: 782800 615.0985 1877.2041 1993.5611 107.3978 2.4678 -1043.3914 0.0000 0.0000 2770.9769 6323.3148 306.0621 3552.3379 6361.3148 304.3478 PRESSURE: 783000 0 0 0 0 0 0 0 0 0 GPRESSURE: 783000 0 0 0 0 0 0 0 0 0 PRESSAVG: 783000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 783000 0 0 0 0 0 0 0 0 0 TIMING: 783000 CPU: 3096.25, 0.00395358/step Wall: 3096.25, 0.00395358/step, 1.88564 hours remaining, 113.062500 MB of memory in use. ENERGY: 783000 642.1029 1791.1367 1990.2425 100.0855 2.2554 -1011.2924 0.0000 0.0000 2821.4004 6335.9310 311.6315 3514.5306 6369.3866 305.9525 PRESSURE: 783200 0 0 0 0 0 0 0 0 0 GPRESSURE: 783200 0 0 0 0 0 0 0 0 0 PRESSAVG: 783200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 783200 0 0 0 0 0 0 0 0 0 TIMING: 783200 CPU: 3097.04, 0.00395387/step Wall: 3097.04, 0.00395387/step, 1.88556 hours remaining, 113.062500 MB of memory in use. ENERGY: 783200 678.5815 1868.3001 1985.9201 97.2730 1.3433 -1063.1340 0.0000 0.0000 2709.9436 6278.2276 299.3208 3568.2840 6310.3674 304.3019 PRESSURE: 783400 0 0 0 0 0 0 0 0 0 GPRESSURE: 783400 0 0 0 0 0 0 0 0 0 PRESSAVG: 783400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 783400 0 0 0 0 0 0 0 0 0 TIMING: 783400 CPU: 3097.83, 0.0039521/step Wall: 3097.83, 0.0039521/step, 1.88449 hours remaining, 113.062500 MB of memory in use. ENERGY: 783400 651.3851 1804.2094 1996.3650 107.1549 -0.0455 -1077.6185 0.0000 0.0000 2726.4819 6207.9325 301.1475 3481.4506 6245.2575 300.2837 PRESSURE: 783600 0 0 0 0 0 0 0 0 0 GPRESSURE: 783600 0 0 0 0 0 0 0 0 0 PRESSAVG: 783600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 783600 0 0 0 0 0 0 0 0 0 TIMING: 783600 CPU: 3098.62, 0.003947/step Wall: 3098.62, 0.003947/step, 1.88184 hours remaining, 113.062500 MB of memory in use. ENERGY: 783600 661.3280 1810.3914 1997.8659 104.4527 2.3175 -1074.5854 0.0000 0.0000 2718.6902 6220.4602 300.2869 3501.7700 6255.2801 298.2522 PRESSURE: 783800 0 0 0 0 0 0 0 0 0 GPRESSURE: 783800 0 0 0 0 0 0 0 0 0 PRESSAVG: 783800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 783800 0 0 0 0 0 0 0 0 0 TIMING: 783800 CPU: 3099.41, 0.00396456/step Wall: 3099.41, 0.00396456/step, 1.88999 hours remaining, 113.062500 MB of memory in use. ENERGY: 783800 618.4040 1818.6885 1962.8732 107.9623 1.7044 -1057.8008 0.0000 0.0000 2744.9241 6196.7557 303.1845 3451.8316 6231.2327 298.8519 PRESSURE: 784000 0 0 0 0 0 0 0 0 0 GPRESSURE: 784000 0 0 0 0 0 0 0 0 0 PRESSAVG: 784000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 784000 0 0 0 0 0 0 0 0 0 TIMING: 784000 CPU: 3100.2, 0.00394929/step Wall: 3100.2, 0.00394929/step, 1.8825 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 784000 686.8084 1826.2463 1979.1958 107.7485 -0.1264 -1103.1259 0.0000 0.0000 2717.9865 6214.7333 300.2092 3496.7468 6248.5129 297.6550 PRESSURE: 784200 0 0 0 0 0 0 0 0 0 GPRESSURE: 784200 0 0 0 0 0 0 0 0 0 PRESSAVG: 784200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 784200 0 0 0 0 0 0 0 0 0 TIMING: 784200 CPU: 3100.99, 0.00394949/step Wall: 3100.99, 0.00394949/step, 1.88237 hours remaining, 113.062500 MB of memory in use. ENERGY: 784200 650.0637 1850.3336 1998.1212 103.7008 0.4932 -1067.5001 0.0000 0.0000 2704.4411 6239.6535 298.7131 3535.2124 6271.3704 299.4926 LDB: ============= START OF LOAD BALANCING ============== 3103.95 LDB: ============== END OF LOAD BALANCING =============== 3103.95 LDB: =============== DONE WITH MIGRATION ================ 3103.95 LDB: ============= START OF LOAD BALANCING ============== 3104.35 LDB: ============== END OF LOAD BALANCING =============== 3104.35 LDB: =============== DONE WITH MIGRATION ================ 3104.35 PRESSURE: 784400 0 0 0 0 0 0 0 0 0 GPRESSURE: 784400 0 0 0 0 0 0 0 0 0 PRESSAVG: 784400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 784400 0 0 0 0 0 0 0 0 0 TIMING: 784400 CPU: 3101.79, 0.00396588/step Wall: 3101.79, 0.00396588/step, 1.88996 hours remaining, 113.062500 MB of memory in use. ENERGY: 784400 671.2980 1799.8642 2002.4310 100.4707 2.1643 -1030.3699 0.0000 0.0000 2728.4718 6274.3301 301.3673 3545.8583 6305.0878 299.8436 PRESSURE: 784600 0 0 0 0 0 0 0 0 0 GPRESSURE: 784600 0 0 0 0 0 0 0 0 0 PRESSAVG: 784600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 784600 0 0 0 0 0 0 0 0 0 TIMING: 784600 CPU: 3102.58, 0.00395018/step Wall: 3102.58, 0.00395018/step, 1.88226 hours remaining, 113.062500 MB of memory in use. ENERGY: 784600 663.9828 1785.0182 1991.1782 112.1109 -0.1946 -1058.8852 0.0000 0.0000 2753.2997 6246.5099 304.1096 3493.2102 6281.2859 300.4085 PRESSURE: 784800 0 0 0 0 0 0 0 0 0 GPRESSURE: 784800 0 0 0 0 0 0 0 0 0 PRESSAVG: 784800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 784800 0 0 0 0 0 0 0 0 0 TIMING: 784800 CPU: 3103.37, 0.00395443/step Wall: 3103.37, 0.00395443/step, 1.88407 hours remaining, 113.062500 MB of memory in use. ENERGY: 784800 679.1281 1809.9709 2002.7227 106.3455 1.2756 -1072.1468 0.0000 0.0000 2779.1681 6306.4640 306.9669 3527.2959 6339.0332 301.1003 PRESSURE: 785000 0 0 0 0 0 0 0 0 0 GPRESSURE: 785000 0 0 0 0 0 0 0 0 0 PRESSAVG: 785000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 785000 0 0 0 0 0 0 0 0 0 TIMING: 785000 CPU: 3104.16, 0.00394981/step Wall: 3104.16, 0.00394981/step, 1.88165 hours remaining, 113.062500 MB of memory in use. ENERGY: 785000 639.9350 1838.1777 2038.5145 109.0880 -0.4635 -1051.4158 0.0000 0.0000 2710.1279 6283.9638 299.3412 3573.8359 6315.0515 300.1909 PRESSURE: 785200 0 0 0 0 0 0 0 0 0 GPRESSURE: 785200 0 0 0 0 0 0 0 0 0 PRESSAVG: 785200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 785200 0 0 0 0 0 0 0 0 0 TIMING: 785200 CPU: 3104.95, 0.0039498/step Wall: 3104.95, 0.0039498/step, 1.88142 hours remaining, 113.062500 MB of memory in use. ENERGY: 785200 657.7851 1862.0973 2022.2095 103.2349 2.2521 -1067.8021 0.0000 0.0000 2737.9877 6317.7645 302.4184 3579.7768 6348.3692 302.6620 PRESSURE: 785400 0 0 0 0 0 0 0 0 0 GPRESSURE: 785400 0 0 0 0 0 0 0 0 0 PRESSAVG: 785400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 785400 0 0 0 0 0 0 0 0 0 TIMING: 785400 CPU: 3105.74, 0.00394774/step Wall: 3105.74, 0.00394774/step, 1.88022 hours remaining, 113.062500 MB of memory in use. ENERGY: 785400 664.7203 1867.2958 2020.4468 99.8609 1.5410 -1066.0347 0.0000 0.0000 2717.8196 6305.6496 300.1907 3587.8300 6337.0946 304.7909 PRESSURE: 785600 0 0 0 0 0 0 0 0 0 GPRESSURE: 785600 0 0 0 0 0 0 0 0 0 PRESSAVG: 785600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 785600 0 0 0 0 0 0 0 0 0 TIMING: 785600 CPU: 3106.53, 0.00395192/step Wall: 3106.53, 0.00395192/step, 1.88199 hours remaining, 113.062500 MB of memory in use. ENERGY: 785600 635.9462 1840.4066 1968.4797 99.6908 1.5503 -1024.4763 0.0000 0.0000 2803.0976 6324.6947 309.6099 3521.5972 6359.3615 304.7912 PRESSURE: 785800 0 0 0 0 0 0 0 0 0 GPRESSURE: 785800 0 0 0 0 0 0 0 0 0 PRESSAVG: 785800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 785800 0 0 0 0 0 0 0 0 0 TIMING: 785800 CPU: 3107.32, 0.00395037/step Wall: 3107.32, 0.00395037/step, 1.88103 hours remaining, 113.062500 MB of memory in use. ENERGY: 785800 629.3428 1838.1772 2026.3238 115.8394 1.0401 -1059.5642 0.0000 0.0000 2770.8298 6321.9889 306.0459 3551.1590 6357.9433 304.6354 PRESSURE: 786000 0 0 0 0 0 0 0 0 0 GPRESSURE: 786000 0 0 0 0 0 0 0 0 0 PRESSAVG: 786000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 786000 0 0 0 0 0 0 0 0 0 TIMING: 786000 CPU: 3108.11, 0.00395122/step Wall: 3108.11, 0.00395122/step, 1.88122 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 786000 661.2428 1847.1644 1992.8475 93.6876 0.6021 -1069.9670 0.0000 0.0000 2781.9274 6307.5048 307.2716 3525.5773 6340.4968 304.1073 PRESSURE: 786200 0 0 0 0 0 0 0 0 0 GPRESSURE: 786200 0 0 0 0 0 0 0 0 0 PRESSAVG: 786200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 786200 0 0 0 0 0 0 0 0 0 TIMING: 786200 CPU: 3108.9, 0.00395145/step Wall: 3108.9, 0.00395145/step, 1.88111 hours remaining, 113.062500 MB of memory in use. ENERGY: 786200 639.9595 1841.1052 1992.3858 113.9539 1.0161 -1055.4957 0.0000 0.0000 2795.1271 6328.0519 308.7296 3532.9248 6363.6628 301.2462 PRESSURE: 786400 0 0 0 0 0 0 0 0 0 GPRESSURE: 786400 0 0 0 0 0 0 0 0 0 PRESSAVG: 786400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 786400 0 0 0 0 0 0 0 0 0 TIMING: 786400 CPU: 3109.69, 0.00394856/step Wall: 3109.69, 0.00394856/step, 1.87951 hours remaining, 113.062500 MB of memory in use. ENERGY: 786400 698.9563 1884.4268 2005.3906 110.6038 1.3526 -1100.8003 0.0000 0.0000 2745.9201 6345.8500 303.2945 3599.9299 6377.9943 303.8962 PRESSURE: 786600 0 0 0 0 0 0 0 0 0 GPRESSURE: 786600 0 0 0 0 0 0 0 0 0 PRESSAVG: 786600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 786600 0 0 0 0 0 0 0 0 0 TIMING: 786600 CPU: 3110.48, 0.00395068/step Wall: 3110.48, 0.00395068/step, 1.8803 hours remaining, 113.062500 MB of memory in use. ENERGY: 786600 661.5227 1836.5623 2003.0751 113.9146 0.7248 -1083.4913 0.0000 0.0000 2779.9520 6312.2602 307.0534 3532.3082 6342.9544 305.6228 PRESSURE: 786800 0 0 0 0 0 0 0 0 0 GPRESSURE: 786800 0 0 0 0 0 0 0 0 0 PRESSAVG: 786800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 786800 0 0 0 0 0 0 0 0 0 TIMING: 786800 CPU: 3111.27, 0.00395102/step Wall: 3111.27, 0.00395102/step, 1.88025 hours remaining, 113.062500 MB of memory in use. ENERGY: 786800 686.6847 1814.2703 2041.2620 111.5916 1.4239 -1093.8935 0.0000 0.0000 2746.1390 6307.4780 303.3187 3561.3390 6341.8299 303.6615 PRESSURE: 787000 0 0 0 0 0 0 0 0 0 GPRESSURE: 787000 0 0 0 0 0 0 0 0 0 PRESSAVG: 787000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 787000 0 0 0 0 0 0 0 0 0 TIMING: 787000 CPU: 3112.06, 0.00395064/step Wall: 3112.06, 0.00395064/step, 1.87985 hours remaining, 113.062500 MB of memory in use. ENERGY: 787000 632.0525 1811.3694 2002.7601 113.9546 1.2248 -1053.0022 0.0000 0.0000 2734.1996 6242.5589 302.0000 3508.3593 6277.5713 301.6606 PRESSURE: 787200 0 0 0 0 0 0 0 0 0 GPRESSURE: 787200 0 0 0 0 0 0 0 0 0 PRESSAVG: 787200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 787200 0 0 0 0 0 0 0 0 0 TIMING: 787200 CPU: 3112.85, 0.00394959/step Wall: 3112.85, 0.00394959/step, 1.87913 hours remaining, 113.062500 MB of memory in use. ENERGY: 787200 665.2852 1791.4246 1977.3170 91.5408 2.3478 -1079.2256 0.0000 0.0000 2757.3943 6206.0841 304.5619 3448.6898 6241.4984 299.3718 PRESSURE: 787400 0 0 0 0 0 0 0 0 0 GPRESSURE: 787400 0 0 0 0 0 0 0 0 0 PRESSAVG: 787400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 787400 0 0 0 0 0 0 0 0 0 TIMING: 787400 CPU: 3113.64, 0.00394701/step Wall: 3113.64, 0.00394701/step, 1.87768 hours remaining, 113.062500 MB of memory in use. ENERGY: 787400 700.9841 1841.6283 1999.0253 100.9988 2.8578 -1078.8810 0.0000 0.0000 2709.4062 6276.0195 299.2615 3566.6133 6310.2823 300.0465 PRESSURE: 787600 0 0 0 0 0 0 0 0 0 GPRESSURE: 787600 0 0 0 0 0 0 0 0 0 PRESSAVG: 787600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 787600 0 0 0 0 0 0 0 0 0 TIMING: 787600 CPU: 3114.43, 0.00394951/step Wall: 3114.43, 0.00394951/step, 1.87865 hours remaining, 113.062500 MB of memory in use. ENERGY: 787600 690.0409 1856.4225 2018.3718 110.2041 2.1948 -1102.2554 0.0000 0.0000 2676.1437 6251.1225 295.5875 3574.9788 6284.7200 301.6560 PRESSURE: 787800 0 0 0 0 0 0 0 0 0 GPRESSURE: 787800 0 0 0 0 0 0 0 0 0 PRESSAVG: 787800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 787800 0 0 0 0 0 0 0 0 0 TIMING: 787800 CPU: 3115.22, 0.00394915/step Wall: 3115.22, 0.00394915/step, 1.87826 hours remaining, 113.062500 MB of memory in use. ENERGY: 787800 699.6658 1808.1753 2011.7732 106.0883 0.8889 -1071.6241 0.0000 0.0000 2737.2417 6292.2091 302.3360 3554.9675 6323.7426 301.4414 PRESSURE: 788000 0 0 0 0 0 0 0 0 0 GPRESSURE: 788000 0 0 0 0 0 0 0 0 0 PRESSAVG: 788000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 788000 0 0 0 0 0 0 0 0 0 TIMING: 788000 CPU: 3116.01, 0.00395014/step Wall: 3116.01, 0.00395014/step, 1.87851 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 788000 647.8307 1838.2068 2020.8059 111.8194 1.8019 -1076.0242 0.0000 0.0000 2747.4945 6291.9351 303.4684 3544.4406 6324.7873 302.8949 PRESSURE: 788200 0 0 0 0 0 0 0 0 0 GPRESSURE: 788200 0 0 0 0 0 0 0 0 0 PRESSAVG: 788200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 788200 0 0 0 0 0 0 0 0 0 TIMING: 788200 CPU: 3116.8, 0.00394895/step Wall: 3116.8, 0.00394895/step, 1.87773 hours remaining, 113.062500 MB of memory in use. ENERGY: 788200 632.7755 1779.5213 1980.0755 105.4860 2.0927 -1063.2025 0.0000 0.0000 2759.2227 6195.9711 304.7638 3436.7484 6232.6011 300.2797 LDB: ============= START OF LOAD BALANCING ============== 3119.76 LDB: ============== END OF LOAD BALANCING =============== 3119.76 LDB: =============== DONE WITH MIGRATION ================ 3119.76 LDB: ============= START OF LOAD BALANCING ============== 3120.15 LDB: ============== END OF LOAD BALANCING =============== 3120.15 LDB: =============== DONE WITH MIGRATION ================ 3120.15 PRESSURE: 788400 0 0 0 0 0 0 0 0 0 GPRESSURE: 788400 0 0 0 0 0 0 0 0 0 PRESSAVG: 788400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 788400 0 0 0 0 0 0 0 0 0 TIMING: 788400 CPU: 3117.59, 0.00395189/step Wall: 3117.59, 0.00395189/step, 1.8789 hours remaining, 113.062500 MB of memory in use. ENERGY: 788400 655.3681 1822.6520 1979.6202 109.7073 2.5421 -1076.2172 0.0000 0.0000 2737.6064 6231.2789 302.3763 3493.6725 6266.1242 298.7905 PRESSURE: 788600 0 0 0 0 0 0 0 0 0 GPRESSURE: 788600 0 0 0 0 0 0 0 0 0 PRESSAVG: 788600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 788600 0 0 0 0 0 0 0 0 0 TIMING: 788600 CPU: 3118.38, 0.00394943/step Wall: 3118.38, 0.00394943/step, 1.87752 hours remaining, 113.062500 MB of memory in use. ENERGY: 788600 636.5529 1843.0196 2015.8684 115.8600 1.6154 -1079.4077 0.0000 0.0000 2740.2094 6273.7180 302.6638 3533.5086 6307.6732 300.2094 PRESSURE: 788800 0 0 0 0 0 0 0 0 0 GPRESSURE: 788800 0 0 0 0 0 0 0 0 0 PRESSAVG: 788800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 788800 0 0 0 0 0 0 0 0 0 TIMING: 788800 CPU: 3119.17, 0.00395068/step Wall: 3119.17, 0.00395068/step, 1.87789 hours remaining, 113.062500 MB of memory in use. ENERGY: 788800 653.0864 1863.9053 1954.7983 104.1357 1.2025 -1059.7672 0.0000 0.0000 2724.7460 6242.1071 300.9558 3517.3611 6277.0699 300.5931 PRESSURE: 789000 0 0 0 0 0 0 0 0 0 GPRESSURE: 789000 0 0 0 0 0 0 0 0 0 PRESSAVG: 789000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 789000 0 0 0 0 0 0 0 0 0 TIMING: 789000 CPU: 3119.96, 0.00394872/step Wall: 3119.96, 0.00394872/step, 1.87674 hours remaining, 113.062500 MB of memory in use. ENERGY: 789000 644.7426 1844.6623 1990.4981 116.0169 0.9105 -1102.8544 0.0000 0.0000 2742.8527 6236.8287 302.9557 3493.9760 6272.5002 298.8171 PRESSURE: 789200 0 0 0 0 0 0 0 0 0 GPRESSURE: 789200 0 0 0 0 0 0 0 0 0 PRESSAVG: 789200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 789200 0 0 0 0 0 0 0 0 0 TIMING: 789200 CPU: 3120.75, 0.00394639/step Wall: 3120.75, 0.00394639/step, 1.87541 hours remaining, 113.062500 MB of memory in use. ENERGY: 789200 665.4553 1846.4826 1982.5347 131.2587 1.2208 -1113.5939 0.0000 0.0000 2701.7899 6215.1480 298.4202 3513.3581 6252.7414 300.5185 PRESSURE: 789400 0 0 0 0 0 0 0 0 0 GPRESSURE: 789400 0 0 0 0 0 0 0 0 0 PRESSAVG: 789400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 789400 0 0 0 0 0 0 0 0 0 TIMING: 789400 CPU: 3121.54, 0.00395083/step Wall: 3121.54, 0.00395083/step, 1.8773 hours remaining, 113.062500 MB of memory in use. ENERGY: 789400 636.9857 1820.3275 1964.4694 99.4862 3.3284 -1067.7604 0.0000 0.0000 2765.2192 6222.0560 305.4262 3456.8369 6255.5342 299.1916 PRESSURE: 789600 0 0 0 0 0 0 0 0 0 GPRESSURE: 789600 0 0 0 0 0 0 0 0 0 PRESSAVG: 789600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 789600 0 0 0 0 0 0 0 0 0 TIMING: 789600 CPU: 3122.33, 0.00394989/step Wall: 3122.33, 0.00394989/step, 1.87664 hours remaining, 113.062500 MB of memory in use. ENERGY: 789600 641.6842 1878.5965 2004.6342 103.5430 1.4290 -1057.7345 0.0000 0.0000 2696.3791 6268.5315 297.8226 3572.1524 6300.1440 299.0816 PRESSURE: 789800 0 0 0 0 0 0 0 0 0 GPRESSURE: 789800 0 0 0 0 0 0 0 0 0 PRESSAVG: 789800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 789800 0 0 0 0 0 0 0 0 0 TIMING: 789800 CPU: 3123.12, 0.00395014/step Wall: 3123.12, 0.00395014/step, 1.87653 hours remaining, 113.062500 MB of memory in use. ENERGY: 789800 642.1579 1884.0146 1997.2305 115.4724 2.5934 -1097.0768 0.0000 0.0000 2685.7764 6230.1684 296.6515 3544.3920 6263.3315 298.6990 PRESSURE: 790000 0 0 0 0 0 0 0 0 0 GPRESSURE: 790000 0 0 0 0 0 0 0 0 0 PRESSAVG: 790000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 790000 0 0 0 0 0 0 0 0 0 TIMING: 790000 CPU: 3123.91, 0.00394905/step Wall: 3123.91, 0.00394905/step, 1.8758 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 790000 652.2289 1800.7971 2003.2929 98.7450 0.7842 -1104.4311 0.0000 0.0000 2743.5195 6194.9366 303.0294 3451.4171 6228.9443 298.7491 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 790000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 790000 WRITING COORDINATES TO RESTART FILE AT STEP 790000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 790000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 790200 0 0 0 0 0 0 0 0 0 GPRESSURE: 790200 0 0 0 0 0 0 0 0 0 PRESSAVG: 790200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 790200 0 0 0 0 0 0 0 0 0 TIMING: 790200 CPU: 3124.74, 0.00415287/step Wall: 3124.74, 0.00415287/step, 1.97238 hours remaining, 113.062500 MB of memory in use. ENERGY: 790200 684.5590 1789.1910 1976.5046 108.5815 2.1901 -1080.3292 0.0000 0.0000 2734.1513 6214.8482 301.9946 3480.6970 6250.2040 297.7171 PRESSURE: 790400 0 0 0 0 0 0 0 0 0 GPRESSURE: 790400 0 0 0 0 0 0 0 0 0 PRESSAVG: 790400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 790400 0 0 0 0 0 0 0 0 0 TIMING: 790400 CPU: 3125.53, 0.00394935/step Wall: 3125.53, 0.00394935/step, 1.8755 hours remaining, 113.062500 MB of memory in use. ENERGY: 790400 641.9938 1876.2456 1960.8150 108.2999 2.1685 -1071.3038 0.0000 0.0000 2703.9975 6222.2164 298.6641 3518.2189 6254.2186 296.3297 PRESSURE: 790600 0 0 0 0 0 0 0 0 0 GPRESSURE: 790600 0 0 0 0 0 0 0 0 0 PRESSAVG: 790600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 790600 0 0 0 0 0 0 0 0 0 TIMING: 790600 CPU: 3126.32, 0.00395022/step Wall: 3126.32, 0.00395022/step, 1.87569 hours remaining, 113.062500 MB of memory in use. ENERGY: 790600 634.7541 1864.1773 1991.9154 110.7050 2.0799 -1086.7948 0.0000 0.0000 2680.6393 6197.4762 296.0841 3516.8369 6228.9887 297.4226 PRESSURE: 790800 0 0 0 0 0 0 0 0 0 GPRESSURE: 790800 0 0 0 0 0 0 0 0 0 PRESSAVG: 790800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 790800 0 0 0 0 0 0 0 0 0 TIMING: 790800 CPU: 3127.11, 0.00394943/step Wall: 3127.11, 0.00394943/step, 1.8751 hours remaining, 113.062500 MB of memory in use. ENERGY: 790800 637.6923 1803.7245 1976.1944 118.6147 3.4626 -1062.9773 0.0000 0.0000 2706.1647 6182.8760 298.9034 3476.7112 6216.8540 297.6716 PRESSURE: 791000 0 0 0 0 0 0 0 0 0 GPRESSURE: 791000 0 0 0 0 0 0 0 0 0 PRESSAVG: 791000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 791000 0 0 0 0 0 0 0 0 0 TIMING: 791000 CPU: 3127.9, 0.00394838/step Wall: 3127.9, 0.00394838/step, 1.87438 hours remaining, 113.062500 MB of memory in use. ENERGY: 791000 673.4429 1807.7989 1984.0455 129.1116 3.2244 -1053.0779 0.0000 0.0000 2636.9927 6181.5381 291.2632 3544.5454 6216.9203 297.6138 PRESSURE: 791200 0 0 0 0 0 0 0 0 0 GPRESSURE: 791200 0 0 0 0 0 0 0 0 0 PRESSAVG: 791200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 791200 0 0 0 0 0 0 0 0 0 TIMING: 791200 CPU: 3128.69, 0.00394524/step Wall: 3128.69, 0.00394524/step, 1.87267 hours remaining, 113.062500 MB of memory in use. ENERGY: 791200 615.7558 1775.5269 1974.2614 121.4377 2.2397 -1009.8664 0.0000 0.0000 2677.8239 6157.1791 295.7731 3479.3551 6187.6741 296.0978 PRESSURE: 791400 0 0 0 0 0 0 0 0 0 GPRESSURE: 791400 0 0 0 0 0 0 0 0 0 PRESSAVG: 791400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 791400 0 0 0 0 0 0 0 0 0 TIMING: 791400 CPU: 3129.48, 0.00394915/step Wall: 3129.48, 0.00394915/step, 1.87431 hours remaining, 113.062500 MB of memory in use. ENERGY: 791400 625.7005 1788.4657 2007.8438 118.0818 0.6532 -1070.0530 0.0000 0.0000 2709.9972 6180.6891 299.3267 3470.6919 6219.8437 296.1511 PRESSURE: 791600 0 0 0 0 0 0 0 0 0 GPRESSURE: 791600 0 0 0 0 0 0 0 0 0 PRESSAVG: 791600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 791600 0 0 0 0 0 0 0 0 0 TIMING: 791600 CPU: 3130.27, 0.00395038/step Wall: 3130.27, 0.00395038/step, 1.87467 hours remaining, 113.062500 MB of memory in use. ENERGY: 791600 632.1911 1778.2006 1992.9302 99.4957 1.3540 -1077.0125 0.0000 0.0000 2679.4250 6106.5839 295.9500 3427.1590 6140.2878 293.6756 PRESSURE: 791800 0 0 0 0 0 0 0 0 0 GPRESSURE: 791800 0 0 0 0 0 0 0 0 0 PRESSAVG: 791800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 791800 0 0 0 0 0 0 0 0 0 TIMING: 791800 CPU: 3131.06, 0.00395041/step Wall: 3131.06, 0.00395041/step, 1.87447 hours remaining, 113.062500 MB of memory in use. ENERGY: 791800 609.1559 1810.4884 1993.8347 115.6969 0.4847 -1076.1073 0.0000 0.0000 2652.7798 6106.3331 293.0069 3453.5534 6138.6643 293.0472 PRESSURE: 792000 0 0 0 0 0 0 0 0 0 GPRESSURE: 792000 0 0 0 0 0 0 0 0 0 PRESSAVG: 792000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 792000 0 0 0 0 0 0 0 0 0 TIMING: 792000 CPU: 3131.85, 0.00394931/step Wall: 3131.85, 0.00394931/step, 1.87373 hours remaining, 113.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 792000 666.7382 1831.3169 1961.1089 112.2738 1.3936 -1091.8775 0.0000 0.0000 2649.0343 6129.9883 292.5932 3480.9540 6158.5781 293.2492 PRESSURE: 792200 0 0 0 0 0 0 0 0 0 GPRESSURE: 792200 0 0 0 0 0 0 0 0 0 PRESSAVG: 792200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 792200 0 0 0 0 0 0 0 0 0 TIMING: 792200 CPU: 3132.64, 0.00394624/step Wall: 3132.64, 0.00394624/step, 1.87205 hours remaining, 113.062500 MB of memory in use. ENERGY: 792200 656.1004 1750.9063 1982.7094 114.3420 1.1057 -1049.3906 0.0000 0.0000 2663.5301 6119.3033 294.1943 3455.7732 6151.0844 294.7256 LDB: ============= START OF LOAD BALANCING ============== 3135.6 LDB: ============== END OF LOAD BALANCING =============== 3135.6 LDB: =============== DONE WITH MIGRATION ================ 3135.6 LDB: ============= START OF LOAD BALANCING ============== 3135.99 LDB: ============== END OF LOAD BALANCING =============== 3135.99 LDB: =============== DONE WITH MIGRATION ================ 3135.99 PRESSURE: 792400 0 0 0 0 0 0 0 0 0 GPRESSURE: 792400 0 0 0 0 0 0 0 0 0 PRESSAVG: 792400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 792400 0 0 0 0 0 0 0 0 0 TIMING: 792400 CPU: 3133.43, 0.00395421/step Wall: 3133.43, 0.00395421/step, 1.87562 hours remaining, 113.062500 MB of memory in use. ENERGY: 792400 652.6090 1806.0337 1992.6593 102.6814 0.3645 -1057.5797 0.0000 0.0000 2627.6840 6124.4523 290.2350 3496.7682 6155.9600 293.1029 PRESSURE: 792600 0 0 0 0 0 0 0 0 0 GPRESSURE: 792600 0 0 0 0 0 0 0 0 0 PRESSAVG: 792600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 792600 0 0 0 0 0 0 0 0 0 TIMING: 792600 CPU: 3134.22, 0.00395015/step Wall: 3134.22, 0.00395015/step, 1.87347 hours remaining, 113.062500 MB of memory in use. ENERGY: 792600 632.0286 1787.9689 1957.5993 117.7017 0.9191 -1032.3732 0.0000 0.0000 2659.3328 6123.1771 293.7307 3463.8443 6156.9801 293.5860 PRESSURE: 792800 0 0 0 0 0 0 0 0 0 GPRESSURE: 792800 0 0 0 0 0 0 0 0 0 PRESSAVG: 792800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 792800 0 0 0 0 0 0 0 0 0 TIMING: 792800 CPU: 3135.01, 0.00394824/step Wall: 3135.01, 0.00394824/step, 1.87234 hours remaining, 113.062500 MB of memory in use. ENERGY: 792800 640.2697 1797.6193 1974.8139 99.5957 2.4138 -1052.5092 0.0000 0.0000 2658.2113 6120.4144 293.6068 3462.2031 6153.3500 293.5648 PRESSURE: 793000 0 0 0 0 0 0 0 0 0 GPRESSURE: 793000 0 0 0 0 0 0 0 0 0 PRESSAVG: 793000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 793000 0 0 0 0 0 0 0 0 0 TIMING: 793000 CPU: 3135.8, 0.00394529/step Wall: 3135.8, 0.00394529/step, 1.87072 hours remaining, 113.062500 MB of memory in use. ENERGY: 793000 686.7985 1749.2770 2000.9300 100.7021 2.8603 -1057.6629 0.0000 0.0000 2638.4386 6121.3434 291.4229 3482.9049 6154.1395 292.8149 PRESSURE: 793200 0 0 0 0 0 0 0 0 0 GPRESSURE: 793200 0 0 0 0 0 0 0 0 0 PRESSAVG: 793200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 793200 0 0 0 0 0 0 0 0 0 TIMING: 793200 CPU: 3136.58, 0.0039484/step Wall: 3136.58, 0.0039484/step, 1.87198 hours remaining, 113.062500 MB of memory in use. ENERGY: 793200 668.7170 1788.7736 2000.0042 113.0417 2.4289 -1048.7664 0.0000 0.0000 2612.3999 6136.5988 288.5468 3524.1989 6166.7918 293.1048 PRESSURE: 793400 0 0 0 0 0 0 0 0 0 GPRESSURE: 793400 0 0 0 0 0 0 0 0 0 PRESSAVG: 793400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 793400 0 0 0 0 0 0 0 0 0 TIMING: 793400 CPU: 3137.37, 0.00394939/step Wall: 3137.37, 0.00394939/step, 1.87223 hours remaining, 113.062500 MB of memory in use. ENERGY: 793400 613.3771 1793.8127 1966.7650 114.7171 2.5921 -1058.1798 0.0000 0.0000 2763.4127 6196.4968 305.2266 3433.0841 6231.1246 296.0237 PRESSURE: 793600 0 0 0 0 0 0 0 0 0 GPRESSURE: 793600 0 0 0 0 0 0 0 0 0 PRESSAVG: 793600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 793600 0 0 0 0 0 0 0 0 0 TIMING: 793600 CPU: 3138.16, 0.00394993/step Wall: 3138.16, 0.00394993/step, 1.87227 hours remaining, 113.066406 MB of memory in use. ENERGY: 793600 675.1492 1761.3283 2009.3827 116.6349 1.6855 -1085.2990 0.0000 0.0000 2739.7736 6218.6552 302.6156 3478.8816 6251.0879 299.0189 PRESSURE: 793800 0 0 0 0 0 0 0 0 0 GPRESSURE: 793800 0 0 0 0 0 0 0 0 0 PRESSAVG: 793800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 793800 0 0 0 0 0 0 0 0 0 TIMING: 793800 CPU: 3138.96, 0.0039635/step Wall: 3138.96, 0.0039635/step, 1.87848 hours remaining, 113.066406 MB of memory in use. ENERGY: 793800 659.9584 1839.5272 2022.4146 114.0040 3.2433 -1062.0290 0.0000 0.0000 2690.3191 6267.4376 297.1532 3577.1185 6301.1479 300.3830 PRESSURE: 794000 0 0 0 0 0 0 0 0 0 GPRESSURE: 794000 0 0 0 0 0 0 0 0 0 PRESSAVG: 794000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 794000 0 0 0 0 0 0 0 0 0 TIMING: 794000 CPU: 3139.75, 0.00394773/step Wall: 3139.75, 0.00394773/step, 1.87078 hours remaining, 113.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 794000 670.9026 1841.6264 2035.2932 106.6339 2.1941 -1123.7161 0.0000 0.0000 2719.3394 6252.2735 300.3586 3532.9341 6285.6363 300.2943 PRESSURE: 794200 0 0 0 0 0 0 0 0 0 GPRESSURE: 794200 0 0 0 0 0 0 0 0 0 PRESSAVG: 794200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 794200 0 0 0 0 0 0 0 0 0 TIMING: 794200 CPU: 3140.54, 0.00395062/step Wall: 3140.54, 0.00395061/step, 1.87193 hours remaining, 113.066406 MB of memory in use. ENERGY: 794200 634.3392 1850.9912 1985.9043 114.4242 1.8787 -1061.3462 0.0000 0.0000 2756.4513 6282.6427 304.4577 3526.1914 6317.5320 301.2100 PRESSURE: 794400 0 0 0 0 0 0 0 0 0 GPRESSURE: 794400 0 0 0 0 0 0 0 0 0 PRESSAVG: 794400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 794400 0 0 0 0 0 0 0 0 0 TIMING: 794400 CPU: 3141.33, 0.0039509/step Wall: 3141.33, 0.00395091/step, 1.87185 hours remaining, 113.066406 MB of memory in use. ENERGY: 794400 658.5961 1834.1960 2009.8699 115.6196 1.2742 -1068.5308 0.0000 0.0000 2695.7846 6246.8098 297.7569 3551.0251 6279.5961 301.4706 PRESSURE: 794600 0 0 0 0 0 0 0 0 0 GPRESSURE: 794600 0 0 0 0 0 0 0 0 0 PRESSAVG: 794600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 794600 0 0 0 0 0 0 0 0 0 TIMING: 794600 CPU: 3142.12, 0.00395011/step Wall: 3142.12, 0.00395011/step, 1.87126 hours remaining, 113.066406 MB of memory in use. ENERGY: 794600 645.3651 1884.7277 2025.9630 111.5432 0.6741 -1048.0362 0.0000 0.0000 2635.5722 6255.8091 291.1063 3620.2369 6285.4541 298.9432 PRESSURE: 794800 0 0 0 0 0 0 0 0 0 GPRESSURE: 794800 0 0 0 0 0 0 0 0 0 PRESSAVG: 794800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 794800 0 0 0 0 0 0 0 0 0 TIMING: 794800 CPU: 3142.91, 0.00394852/step Wall: 3142.91, 0.00394852/step, 1.87028 hours remaining, 113.066406 MB of memory in use. ENERGY: 794800 668.2192 1839.9004 2008.0439 101.5010 1.6044 -1077.0769 0.0000 0.0000 2690.1747 6232.3667 297.1373 3542.1919 6267.0016 298.6721 PRESSURE: 795000 0 0 0 0 0 0 0 0 0 GPRESSURE: 795000 0 0 0 0 0 0 0 0 0 PRESSAVG: 795000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 795000 0 0 0 0 0 0 0 0 0 TIMING: 795000 CPU: 3143.7, 0.00394676/step Wall: 3143.7, 0.00394676/step, 1.86923 hours remaining, 113.066406 MB of memory in use. ENERGY: 795000 639.4007 1815.6017 2008.8372 120.3778 0.6907 -1098.1032 0.0000 0.0000 2746.8545 6233.6594 303.3977 3486.8049 6268.8058 299.1091 PRESSURE: 795200 0 0 0 0 0 0 0 0 0 GPRESSURE: 795200 0 0 0 0 0 0 0 0 0 PRESSAVG: 795200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 795200 0 0 0 0 0 0 0 0 0 TIMING: 795200 CPU: 3144.49, 0.00395047/step Wall: 3144.49, 0.00395047/step, 1.87077 hours remaining, 113.066406 MB of memory in use. ENERGY: 795200 660.7542 1854.5558 2007.3788 101.9871 1.8691 -1062.9417 0.0000 0.0000 2724.7359 6288.3393 300.9547 3563.6034 6321.9746 300.4347 PRESSURE: 795400 0 0 0 0 0 0 0 0 0 GPRESSURE: 795400 0 0 0 0 0 0 0 0 0 PRESSAVG: 795400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 795400 0 0 0 0 0 0 0 0 0 TIMING: 795400 CPU: 3145.28, 0.00395067/step Wall: 3145.28, 0.00395067/step, 1.87064 hours remaining, 113.066406 MB of memory in use. ENERGY: 795400 660.2528 1851.5557 2013.1683 116.8019 3.2076 -1057.8859 0.0000 0.0000 2730.4868 6317.5871 301.5899 3587.1003 6348.2986 303.3197 PRESSURE: 795600 0 0 0 0 0 0 0 0 0 GPRESSURE: 795600 0 0 0 0 0 0 0 0 0 PRESSAVG: 795600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 795600 0 0 0 0 0 0 0 0 0 TIMING: 795600 CPU: 3146.07, 0.0039501/step Wall: 3146.07, 0.0039501/step, 1.87015 hours remaining, 113.066406 MB of memory in use. ENERGY: 795600 689.2501 1832.6934 1976.4938 100.0575 5.0410 -1064.1996 0.0000 0.0000 2717.9734 6257.3095 300.2077 3539.3362 6291.2204 301.3095 PRESSURE: 795800 0 0 0 0 0 0 0 0 0 GPRESSURE: 795800 0 0 0 0 0 0 0 0 0 PRESSAVG: 795800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 795800 0 0 0 0 0 0 0 0 0 TIMING: 795800 CPU: 3146.86, 0.00394837/step Wall: 3146.86, 0.00394837/step, 1.86911 hours remaining, 113.066406 MB of memory in use. ENERGY: 795800 675.8443 1835.0782 1988.5023 104.6467 3.6368 -1086.9618 0.0000 0.0000 2747.0894 6267.8359 303.4237 3520.7465 6302.5984 301.3407 PRESSURE: 796000 0 0 0 0 0 0 0 0 0 GPRESSURE: 796000 0 0 0 0 0 0 0 0 0 PRESSAVG: 796000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 796000 0 0 0 0 0 0 0 0 0 TIMING: 796000 CPU: 3147.65, 0.0039461/step Wall: 3147.65, 0.0039461/step, 1.86782 hours remaining, 113.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 796000 643.2285 1856.1779 2000.7029 102.7389 3.2230 -1056.3528 0.0000 0.0000 2755.8169 6305.5352 304.3876 3549.7183 6341.3221 303.5271 PRESSURE: 796200 0 0 0 0 0 0 0 0 0 GPRESSURE: 796200 0 0 0 0 0 0 0 0 0 PRESSAVG: 796200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 796200 0 0 0 0 0 0 0 0 0 TIMING: 796200 CPU: 3148.44, 0.00394954/step Wall: 3148.44, 0.00394954/step, 1.86923 hours remaining, 113.066406 MB of memory in use. ENERGY: 796200 652.4596 1812.4610 2009.9761 112.7632 2.3897 -1086.7183 0.0000 0.0000 2776.9473 6280.2785 306.7216 3503.3312 6315.8280 302.9959 LDB: ============= START OF LOAD BALANCING ============== 3151.39 LDB: ============== END OF LOAD BALANCING =============== 3151.39 LDB: =============== DONE WITH MIGRATION ================ 3151.39 LDB: ============= START OF LOAD BALANCING ============== 3151.79 LDB: ============== END OF LOAD BALANCING =============== 3151.79 LDB: =============== DONE WITH MIGRATION ================ 3151.79 PRESSURE: 796400 0 0 0 0 0 0 0 0 0 GPRESSURE: 796400 0 0 0 0 0 0 0 0 0 PRESSAVG: 796400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 796400 0 0 0 0 0 0 0 0 0 TIMING: 796400 CPU: 3149.23, 0.00395502/step Wall: 3149.23, 0.00395502/step, 1.87161 hours remaining, 113.066406 MB of memory in use. ENERGY: 796400 620.6105 1807.5928 2026.8486 106.0824 1.7695 -1090.2376 0.0000 0.0000 2741.8378 6214.5038 302.8436 3472.6660 6250.0408 301.2339 PRESSURE: 796600 0 0 0 0 0 0 0 0 0 GPRESSURE: 796600 0 0 0 0 0 0 0 0 0 PRESSAVG: 796600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 796600 0 0 0 0 0 0 0 0 0 TIMING: 796600 CPU: 3150.02, 0.00395001/step Wall: 3150.02, 0.00395001/step, 1.86901 hours remaining, 113.066406 MB of memory in use. ENERGY: 796600 631.4953 1812.6839 1985.4373 109.5087 2.2473 -1082.2133 0.0000 0.0000 2736.2774 6195.4365 302.2295 3459.1591 6231.0156 297.8110 PRESSURE: 796800 0 0 0 0 0 0 0 0 0 GPRESSURE: 796800 0 0 0 0 0 0 0 0 0 PRESSAVG: 796800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 796800 0 0 0 0 0 0 0 0 0 TIMING: 796800 CPU: 3150.81, 0.00394583/step Wall: 3150.81, 0.00394583/step, 1.86682 hours remaining, 113.066406 MB of memory in use. ENERGY: 796800 648.1014 1801.0373 2018.7214 120.2288 1.7163 -1065.5953 0.0000 0.0000 2720.0920 6244.3018 300.4417 3524.2098 6277.4426 298.8497 PRESSURE: 797000 0 0 0 0 0 0 0 0 0 GPRESSURE: 797000 0 0 0 0 0 0 0 0 0 PRESSAVG: 797000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 797000 0 0 0 0 0 0 0 0 0 TIMING: 797000 CPU: 3151.6, 0.0039502/step Wall: 3151.6, 0.0039502/step, 1.86866 hours remaining, 113.066406 MB of memory in use. ENERGY: 797000 668.7690 1864.9150 1989.8835 110.2892 1.8572 -1092.2751 0.0000 0.0000 2683.9465 6227.3852 296.4494 3543.4388 6257.1276 299.0030 PRESSURE: 797200 0 0 0 0 0 0 0 0 0 GPRESSURE: 797200 0 0 0 0 0 0 0 0 0 PRESSAVG: 797200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 797200 0 0 0 0 0 0 0 0 0 TIMING: 797200 CPU: 3152.39, 0.0039502/step Wall: 3152.39, 0.0039502/step, 1.86844 hours remaining, 113.066406 MB of memory in use. ENERGY: 797200 643.5983 1814.7621 1998.1967 112.6625 2.6281 -1074.9351 0.0000 0.0000 2751.8786 6248.7912 303.9527 3496.9126 6282.5132 299.7574 PRESSURE: 797400 0 0 0 0 0 0 0 0 0 GPRESSURE: 797400 0 0 0 0 0 0 0 0 0 PRESSAVG: 797400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 797400 0 0 0 0 0 0 0 0 0 TIMING: 797400 CPU: 3153.18, 0.00395119/step Wall: 3153.18, 0.00395119/step, 1.8687 hours remaining, 113.066406 MB of memory in use. ENERGY: 797400 639.2376 1862.7147 2018.6354 100.6587 2.6531 -1021.6131 0.0000 0.0000 2679.3566 6281.6429 295.9424 3602.2863 6315.0525 302.9152 PRESSURE: 797600 0 0 0 0 0 0 0 0 0 GPRESSURE: 797600 0 0 0 0 0 0 0 0 0 PRESSAVG: 797600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 797600 0 0 0 0 0 0 0 0 0 TIMING: 797600 CPU: 3153.97, 0.00394938/step Wall: 3153.97, 0.00394938/step, 1.86762 hours remaining, 113.066406 MB of memory in use. ENERGY: 797600 634.1303 1891.1351 1987.5170 103.7118 2.3655 -1083.3969 0.0000 0.0000 2677.6306 6213.0933 295.7518 3535.4627 6245.2695 300.9378 PRESSURE: 797800 0 0 0 0 0 0 0 0 0 GPRESSURE: 797800 0 0 0 0 0 0 0 0 0 PRESSAVG: 797800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 797800 0 0 0 0 0 0 0 0 0 TIMING: 797800 CPU: 3154.76, 0.00394798/step Wall: 3154.76, 0.00394798/step, 1.86674 hours remaining, 113.066406 MB of memory in use. ENERGY: 797800 629.2778 1832.8739 2001.9960 106.0426 4.1400 -1074.2326 0.0000 0.0000 2780.5413 6280.6389 307.1185 3500.0976 6316.3088 301.5434 PRESSURE: 798000 0 0 0 0 0 0 0 0 0 GPRESSURE: 798000 0 0 0 0 0 0 0 0 0 PRESSAVG: 798000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 798000 0 0 0 0 0 0 0 0 0 TIMING: 798000 CPU: 3155.55, 0.00395176/step Wall: 3155.55, 0.00395176/step, 1.86831 hours remaining, 113.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 798000 631.9957 1825.1022 2032.1735 125.8375 1.9175 -1067.4625 0.0000 0.0000 2753.8604 6303.4243 304.1716 3549.5639 6339.5178 303.7397 PRESSURE: 798200 0 0 0 0 0 0 0 0 0 GPRESSURE: 798200 0 0 0 0 0 0 0 0 0 PRESSAVG: 798200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 798200 0 0 0 0 0 0 0 0 0 TIMING: 798200 CPU: 3156.34, 0.00395263/step Wall: 3156.34, 0.00395263/step, 1.8685 hours remaining, 113.066406 MB of memory in use. ENERGY: 798200 730.5716 1802.2534 1991.0926 101.6614 2.7395 -1136.5560 0.0000 0.0000 2727.2130 6218.9753 301.2283 3491.7624 6252.6837 302.2340 PRESSURE: 798400 0 0 0 0 0 0 0 0 0 GPRESSURE: 798400 0 0 0 0 0 0 0 0 0 PRESSAVG: 798400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 798400 0 0 0 0 0 0 0 0 0 TIMING: 798400 CPU: 3157.13, 0.00395382/step Wall: 3157.13, 0.00395382/step, 1.86884 hours remaining, 113.066406 MB of memory in use. ENERGY: 798400 625.6777 1847.8720 1971.2915 104.6483 3.4452 -1085.5879 0.0000 0.0000 2697.3956 6164.7423 297.9349 3467.3467 6196.7029 299.0605 PRESSURE: 798600 0 0 0 0 0 0 0 0 0 GPRESSURE: 798600 0 0 0 0 0 0 0 0 0 PRESSAVG: 798600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 798600 0 0 0 0 0 0 0 0 0 TIMING: 798600 CPU: 3157.92, 0.00395449/step Wall: 3157.92, 0.00395449/step, 1.86893 hours remaining, 113.066406 MB of memory in use. ENERGY: 798600 660.1764 1797.6434 1989.9678 115.0046 2.1881 -1071.9025 0.0000 0.0000 2647.2173 6140.2950 292.3925 3493.0777 6172.6182 296.7439 PRESSURE: 798800 0 0 0 0 0 0 0 0 0 GPRESSURE: 798800 0 0 0 0 0 0 0 0 0 PRESSAVG: 798800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 798800 0 0 0 0 0 0 0 0 0 TIMING: 798800 CPU: 3158.71, 0.00394887/step Wall: 3158.71, 0.00394887/step, 1.86606 hours remaining, 113.066406 MB of memory in use. ENERGY: 798800 648.6112 1810.7072 1988.7114 111.5753 1.7439 -1093.0655 0.0000 0.0000 2690.0498 6158.3333 297.1235 3468.2835 6191.4519 294.0935 PRESSURE: 799000 0 0 0 0 0 0 0 0 0 GPRESSURE: 799000 0 0 0 0 0 0 0 0 0 PRESSAVG: 799000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 799000 0 0 0 0 0 0 0 0 0 TIMING: 799000 CPU: 3159.5, 0.00395336/step Wall: 3159.5, 0.00395336/step, 1.86796 hours remaining, 113.066406 MB of memory in use. ENERGY: 799000 659.7167 1875.6702 1992.2488 112.2996 2.4813 -1103.9074 0.0000 0.0000 2674.3062 6212.8153 295.3846 3538.5091 6242.4076 297.5898 PRESSURE: 799200 0 0 0 0 0 0 0 0 0 GPRESSURE: 799200 0 0 0 0 0 0 0 0 0 PRESSAVG: 799200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 799200 0 0 0 0 0 0 0 0 0 TIMING: 799200 CPU: 3160.29, 0.00395304/step Wall: 3160.29, 0.00395304/step, 1.86759 hours remaining, 113.066406 MB of memory in use. ENERGY: 799200 647.2943 1846.5868 2010.9900 110.7973 2.3819 -1080.5469 0.0000 0.0000 2691.9907 6229.4941 297.3379 3537.5033 6263.5709 299.0855 PRESSURE: 799400 0 0 0 0 0 0 0 0 0 GPRESSURE: 799400 0 0 0 0 0 0 0 0 0 PRESSAVG: 799400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 799400 0 0 0 0 0 0 0 0 0 TIMING: 799400 CPU: 3161.08, 0.00395494/step Wall: 3161.08, 0.00395494/step, 1.86827 hours remaining, 113.066406 MB of memory in use. ENERGY: 799400 669.7496 1847.0367 1980.4666 97.3200 1.8989 -1083.5333 0.0000 0.0000 2790.9522 6303.8907 308.2684 3512.9385 6337.4821 302.1790 PRESSURE: 799600 0 0 0 0 0 0 0 0 0 GPRESSURE: 799600 0 0 0 0 0 0 0 0 0 PRESSAVG: 799600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 799600 0 0 0 0 0 0 0 0 0 TIMING: 799600 CPU: 3161.87, 0.00395667/step Wall: 3161.87, 0.00395667/step, 1.86887 hours remaining, 113.066406 MB of memory in use. ENERGY: 799600 625.4515 1865.5523 1978.7748 102.1205 2.6758 -1052.4839 0.0000 0.0000 2773.0004 6295.0915 306.2856 3522.0911 6327.8802 305.8676 PRESSURE: 799800 0 0 0 0 0 0 0 0 0 GPRESSURE: 799800 0 0 0 0 0 0 0 0 0 PRESSAVG: 799800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 799800 0 0 0 0 0 0 0 0 0 TIMING: 799800 CPU: 3162.66, 0.0039516/step Wall: 3162.66, 0.0039516/step, 1.86625 hours remaining, 113.066406 MB of memory in use. ENERGY: 799800 646.2614 1865.4644 1994.3649 110.5913 1.2108 -1064.2409 0.0000 0.0000 2775.6696 6329.3216 306.5804 3553.6519 6364.4092 305.4805 PRESSURE: 800000 0 0 0 0 0 0 0 0 0 GPRESSURE: 800000 0 0 0 0 0 0 0 0 0 PRESSAVG: 800000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 800000 0 0 0 0 0 0 0 0 0 TIMING: 800000 CPU: 3163.45, 0.0039603/step Wall: 3163.45, 0.0039603/step, 1.87014 hours remaining, 113.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 800000 673.4149 1873.8263 2005.5819 127.1909 1.0256 -1078.3934 0.0000 0.0000 2747.6018 6350.2480 303.4803 3602.6462 6382.2331 305.0044 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800200 0 0 0 0 0 0 0 0 0 GPRESSURE: 800200 0 0 0 0 0 0 0 0 0 PRESSAVG: 800200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 800200 0 0 0 0 0 0 0 0 0 TIMING: 800200 CPU: 3164.28, 0.00415534/step Wall: 3164.28, 0.00415534/step, 1.96201 hours remaining, 113.066406 MB of memory in use. ENERGY: 800200 617.2756 1903.8913 2011.0846 110.5151 -0.4053 -1047.9605 0.0000 0.0000 2719.9745 6314.3753 300.4288 3594.4008 6347.5146 303.7668 LDB: ============= START OF LOAD BALANCING ============== 3167.24 LDB: ============== END OF LOAD BALANCING =============== 3167.24 LDB: =============== DONE WITH MIGRATION ================ 3167.24 LDB: ============= START OF LOAD BALANCING ============== 3167.64 LDB: ============== END OF LOAD BALANCING =============== 3167.64 LDB: =============== DONE WITH MIGRATION ================ 3167.64 PRESSURE: 800400 0 0 0 0 0 0 0 0 0 GPRESSURE: 800400 0 0 0 0 0 0 0 0 0 PRESSAVG: 800400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 800400 0 0 0 0 0 0 0 0 0 TIMING: 800400 CPU: 3165.08, 0.00396517/step Wall: 3165.08, 0.00396517/step, 1.872 hours remaining, 113.066406 MB of memory in use. ENERGY: 800400 639.8640 1824.7121 1992.2636 100.7495 0.5214 -1057.7463 0.0000 0.0000 2713.1595 6213.5238 299.6760 3500.3644 6247.0964 301.6431 PRESSURE: 800600 0 0 0 0 0 0 0 0 0 GPRESSURE: 800600 0 0 0 0 0 0 0 0 0 PRESSAVG: 800600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 800600 0 0 0 0 0 0 0 0 0 TIMING: 800600 CPU: 3165.87, 0.00395496/step Wall: 3165.87, 0.00395496/step, 1.86696 hours remaining, 113.066406 MB of memory in use. ENERGY: 800600 637.6981 1837.6286 1990.4224 108.0404 0.3213 -1059.7090 0.0000 0.0000 2674.9613 6189.3631 295.4569 3514.4018 6223.2429 298.9037 PRESSURE: 800800 0 0 0 0 0 0 0 0 0 GPRESSURE: 800800 0 0 0 0 0 0 0 0 0 PRESSAVG: 800800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 800800 0 0 0 0 0 0 0 0 0 TIMING: 800800 CPU: 3166.66, 0.0039529/step Wall: 3166.66, 0.0039529/step, 1.86577 hours remaining, 113.066406 MB of memory in use. ENERGY: 800800 611.5490 1797.7353 2016.4461 117.7200 0.5192 -1066.5243 0.0000 0.0000 2779.0006 6256.4459 306.9484 3477.4453 6295.3220 298.9480 PRESSURE: 801000 0 0 0 0 0 0 0 0 0 GPRESSURE: 801000 0 0 0 0 0 0 0 0 0 PRESSAVG: 801000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 801000 0 0 0 0 0 0 0 0 0 TIMING: 801000 CPU: 3167.45, 0.00395436/step Wall: 3167.45, 0.00395436/step, 1.86624 hours remaining, 113.066406 MB of memory in use. ENERGY: 801000 613.5438 1868.2407 2010.2134 107.1133 -0.1960 -1098.2247 0.0000 0.0000 2736.3141 6237.0046 302.2335 3500.6904 6272.4589 300.6741 PRESSURE: 801200 0 0 0 0 0 0 0 0 0 GPRESSURE: 801200 0 0 0 0 0 0 0 0 0 PRESSAVG: 801200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 801200 0 0 0 0 0 0 0 0 0 TIMING: 801200 CPU: 3168.24, 0.00395716/step Wall: 3168.24, 0.00395716/step, 1.86734 hours remaining, 113.066406 MB of memory in use. ENERGY: 801200 665.6618 1790.0649 2016.1276 117.2406 0.4325 -1079.4886 0.0000 0.0000 2733.8607 6243.8995 301.9625 3510.0388 6277.5737 300.4860 PRESSURE: 801400 0 0 0 0 0 0 0 0 0 GPRESSURE: 801400 0 0 0 0 0 0 0 0 0 PRESSAVG: 801400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 801400 0 0 0 0 0 0 0 0 0 TIMING: 801400 CPU: 3169.03, 0.00395663/step Wall: 3169.03, 0.00395663/step, 1.86687 hours remaining, 113.066406 MB of memory in use. ENERGY: 801400 611.3780 1860.6451 2012.4055 106.2415 0.7146 -1057.6125 0.0000 0.0000 2752.9139 6286.6861 304.0670 3533.7722 6321.8474 300.4430 PRESSURE: 801600 0 0 0 0 0 0 0 0 0 GPRESSURE: 801600 0 0 0 0 0 0 0 0 0 PRESSAVG: 801600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 801600 0 0 0 0 0 0 0 0 0 TIMING: 801600 CPU: 3169.82, 0.00394855/step Wall: 3169.82, 0.00394855/step, 1.86284 hours remaining, 113.066406 MB of memory in use. ENERGY: 801600 618.9334 1880.1189 2004.9859 108.4072 -0.6778 -1080.5826 0.0000 0.0000 2707.9791 6239.1641 299.1038 3531.1850 6272.3980 301.4207 PRESSURE: 801800 0 0 0 0 0 0 0 0 0 GPRESSURE: 801800 0 0 0 0 0 0 0 0 0 PRESSAVG: 801800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 801800 0 0 0 0 0 0 0 0 0 TIMING: 801800 CPU: 3170.61, 0.00395452/step Wall: 3170.61, 0.00395452/step, 1.86543 hours remaining, 113.066406 MB of memory in use. ENERGY: 801800 629.8989 1863.9170 1988.3009 122.3455 0.6154 -1047.6713 0.0000 0.0000 2807.0661 6364.4724 310.0483 3557.4064 6398.4144 302.8967 PRESSURE: 802000 0 0 0 0 0 0 0 0 0 GPRESSURE: 802000 0 0 0 0 0 0 0 0 0 PRESSAVG: 802000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 802000 0 0 0 0 0 0 0 0 0 TIMING: 802000 CPU: 3171.4, 0.00395482/step Wall: 3171.4, 0.00395482/step, 1.86536 hours remaining, 113.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 802000 675.2616 1884.0879 2015.1779 108.8720 -0.5939 -1082.0377 0.0000 0.0000 2748.0227 6348.7905 303.5268 3600.7677 6381.0977 306.1117 PRESSURE: 802200 0 0 0 0 0 0 0 0 0 GPRESSURE: 802200 0 0 0 0 0 0 0 0 0 PRESSAVG: 802200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 802200 0 0 0 0 0 0 0 0 0 TIMING: 802200 CPU: 3172.2, 0.00395539/step Wall: 3172.2, 0.00395539/step, 1.86541 hours remaining, 113.066406 MB of memory in use. ENERGY: 802200 645.3494 1918.8811 1970.9652 111.4767 0.4554 -1039.0932 0.0000 0.0000 2753.0746 6361.1092 304.0848 3608.0346 6392.4195 306.3998 PRESSURE: 802400 0 0 0 0 0 0 0 0 0 GPRESSURE: 802400 0 0 0 0 0 0 0 0 0 PRESSAVG: 802400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 802400 0 0 0 0 0 0 0 0 0 TIMING: 802400 CPU: 3172.99, 0.00395517/step Wall: 3172.99, 0.00395517/step, 1.86508 hours remaining, 113.066406 MB of memory in use. ENERGY: 802400 709.0676 1867.9639 2016.2476 107.1703 0.0876 -1078.3650 0.0000 0.0000 2751.7173 6373.8893 303.9348 3622.1720 6407.0804 305.8875 PRESSURE: 802600 0 0 0 0 0 0 0 0 0 GPRESSURE: 802600 0 0 0 0 0 0 0 0 0 PRESSAVG: 802600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 802600 0 0 0 0 0 0 0 0 0 TIMING: 802600 CPU: 3173.78, 0.00394921/step Wall: 3173.78, 0.00394921/step, 1.86205 hours remaining, 113.066406 MB of memory in use. ENERGY: 802600 688.4309 1890.7643 2053.5917 122.3284 0.3726 -1099.6672 0.0000 0.0000 2768.7081 6424.5289 305.8115 3655.8208 6457.0950 309.5271 PRESSURE: 802800 0 0 0 0 0 0 0 0 0 GPRESSURE: 802800 0 0 0 0 0 0 0 0 0 PRESSAVG: 802800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 802800 0 0 0 0 0 0 0 0 0 TIMING: 802800 CPU: 3174.57, 0.00395477/step Wall: 3174.57, 0.00395477/step, 1.86445 hours remaining, 113.066406 MB of memory in use. ENERGY: 802800 703.7530 1879.5135 1986.4001 107.9463 0.9552 -1072.4352 0.0000 0.0000 2738.1338 6344.2667 302.4345 3606.1329 6376.3597 307.8566 PRESSURE: 803000 0 0 0 0 0 0 0 0 0 GPRESSURE: 803000 0 0 0 0 0 0 0 0 0 PRESSAVG: 803000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 803000 0 0 0 0 0 0 0 0 0 TIMING: 803000 CPU: 3175.36, 0.00395627/step Wall: 3175.36, 0.00395627/step, 1.86494 hours remaining, 113.066406 MB of memory in use. ENERGY: 803000 666.6369 1875.4452 2003.1699 109.1149 -0.0748 -1070.0318 0.0000 0.0000 2816.3965 6400.6569 311.0788 3584.2603 6435.1104 306.2895 PRESSURE: 803200 0 0 0 0 0 0 0 0 0 GPRESSURE: 803200 0 0 0 0 0 0 0 0 0 PRESSAVG: 803200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 803200 0 0 0 0 0 0 0 0 0 TIMING: 803200 CPU: 3176.15, 0.00395592/step Wall: 3176.15, 0.00395592/step, 1.86456 hours remaining, 113.070312 MB of memory in use. ENERGY: 803200 665.9041 1860.7015 1993.2983 106.5806 1.4081 -1057.9173 0.0000 0.0000 2762.1967 6332.1721 305.0923 3569.9753 6369.5000 305.4699 PRESSURE: 803400 0 0 0 0 0 0 0 0 0 GPRESSURE: 803400 0 0 0 0 0 0 0 0 0 PRESSAVG: 803400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 803400 0 0 0 0 0 0 0 0 0 TIMING: 803400 CPU: 3176.94, 0.00395497/step Wall: 3176.94, 0.00395497/step, 1.86389 hours remaining, 113.070312 MB of memory in use. ENERGY: 803400 639.3602 1760.4410 2001.7617 118.7060 -0.0931 -1046.6120 0.0000 0.0000 2783.9551 6257.5188 307.4956 3473.5637 6294.0171 303.6035 PRESSURE: 803600 0 0 0 0 0 0 0 0 0 GPRESSURE: 803600 0 0 0 0 0 0 0 0 0 PRESSAVG: 803600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 803600 0 0 0 0 0 0 0 0 0 TIMING: 803600 CPU: 3177.73, 0.0039492/step Wall: 3177.73, 0.0039492/step, 1.86095 hours remaining, 113.070312 MB of memory in use. ENERGY: 803600 650.4299 1806.9131 2000.8763 105.8409 -0.6288 -1064.3722 0.0000 0.0000 2725.8384 6224.8976 301.0764 3499.0592 6255.4016 299.1828 PRESSURE: 803800 0 0 0 0 0 0 0 0 0 GPRESSURE: 803800 0 0 0 0 0 0 0 0 0 PRESSAVG: 803800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 803800 0 0 0 0 0 0 0 0 0 TIMING: 803800 CPU: 3178.52, 0.00395598/step Wall: 3178.52, 0.00395598/step, 1.86392 hours remaining, 113.070312 MB of memory in use. ENERGY: 803800 662.0739 1808.3156 1980.3095 106.6336 0.9105 -1046.9683 0.0000 0.0000 2740.8629 6252.1376 302.7359 3511.2746 6285.9151 301.5653 PRESSURE: 804000 0 0 0 0 0 0 0 0 0 GPRESSURE: 804000 0 0 0 0 0 0 0 0 0 PRESSAVG: 804000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 804000 0 0 0 0 0 0 0 0 0 TIMING: 804000 CPU: 3179.31, 0.00396245/step Wall: 3179.31, 0.00396245/step, 1.86675 hours remaining, 113.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 804000 635.0008 1861.1269 2010.5797 114.3082 0.7641 -1088.8044 0.0000 0.0000 2721.7250 6254.7004 300.6221 3532.9754 6287.6302 300.0161 PRESSURE: 804200 0 0 0 0 0 0 0 0 0 GPRESSURE: 804200 0 0 0 0 0 0 0 0 0 PRESSAVG: 804200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 804200 0 0 0 0 0 0 0 0 0 TIMING: 804200 CPU: 3180.11, 0.00395469/step Wall: 3180.11, 0.00395468/step, 1.86288 hours remaining, 113.070312 MB of memory in use. ENERGY: 804200 674.4017 1851.9475 2013.9656 111.7741 -0.1704 -1054.0065 0.0000 0.0000 2648.5085 6246.4205 292.5351 3597.9120 6276.5942 299.3056 LDB: ============= START OF LOAD BALANCING ============== 3183.06 LDB: ============== END OF LOAD BALANCING =============== 3183.06 LDB: =============== DONE WITH MIGRATION ================ 3183.06 LDB: ============= START OF LOAD BALANCING ============== 3183.46 LDB: ============== END OF LOAD BALANCING =============== 3183.46 LDB: =============== DONE WITH MIGRATION ================ 3183.46 PRESSURE: 804400 0 0 0 0 0 0 0 0 0 GPRESSURE: 804400 0 0 0 0 0 0 0 0 0 PRESSAVG: 804400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 804400 0 0 0 0 0 0 0 0 0 TIMING: 804400 CPU: 3180.9, 0.00395433/step Wall: 3180.9, 0.00395434/step, 1.86249 hours remaining, 113.070312 MB of memory in use. ENERGY: 804400 670.5807 1777.9949 1985.8433 110.8210 1.2017 -1065.5858 0.0000 0.0000 2697.8097 6178.6655 297.9806 3480.8558 6213.0038 298.9929 PRESSURE: 804600 0 0 0 0 0 0 0 0 0 GPRESSURE: 804600 0 0 0 0 0 0 0 0 0 PRESSAVG: 804600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 804600 0 0 0 0 0 0 0 0 0 TIMING: 804600 CPU: 3181.69, 0.00395398/step Wall: 3181.69, 0.00395398/step, 1.8621 hours remaining, 113.070312 MB of memory in use. ENERGY: 804600 664.5206 1817.1036 1977.4713 108.7635 -0.5989 -1084.8627 0.0000 0.0000 2711.7623 6194.1595 299.5217 3482.3972 6227.5247 298.0644 PRESSURE: 804800 0 0 0 0 0 0 0 0 0 GPRESSURE: 804800 0 0 0 0 0 0 0 0 0 PRESSAVG: 804800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 804800 0 0 0 0 0 0 0 0 0 TIMING: 804800 CPU: 3182.48, 0.00395239/step Wall: 3182.48, 0.00395239/step, 1.86114 hours remaining, 113.070312 MB of memory in use. ENERGY: 804800 643.9716 1823.4041 1996.3425 107.1364 -0.4974 -1080.4868 0.0000 0.0000 2692.9115 6182.7819 297.4396 3489.8704 6214.5236 298.1158 PRESSURE: 805000 0 0 0 0 0 0 0 0 0 GPRESSURE: 805000 0 0 0 0 0 0 0 0 0 PRESSAVG: 805000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 805000 0 0 0 0 0 0 0 0 0 TIMING: 805000 CPU: 3183.27, 0.00395167/step Wall: 3183.27, 0.00395167/step, 1.86058 hours remaining, 113.070312 MB of memory in use. ENERGY: 805000 665.1715 1852.0132 2002.0836 102.7966 -0.4629 -1114.6778 0.0000 0.0000 2712.7633 6219.6876 299.6323 3506.9243 6250.6087 297.5899 PRESSURE: 805200 0 0 0 0 0 0 0 0 0 GPRESSURE: 805200 0 0 0 0 0 0 0 0 0 PRESSAVG: 805200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 805200 0 0 0 0 0 0 0 0 0 TIMING: 805200 CPU: 3184.06, 0.00395184/step Wall: 3184.06, 0.00395184/step, 1.86044 hours remaining, 113.070312 MB of memory in use. ENERGY: 805200 630.3537 1816.5955 2011.1045 110.3367 0.4082 -1086.5492 0.0000 0.0000 2724.3160 6206.5654 300.9083 3482.2494 6242.1498 299.4906 PRESSURE: 805400 0 0 0 0 0 0 0 0 0 GPRESSURE: 805400 0 0 0 0 0 0 0 0 0 PRESSAVG: 805400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 805400 0 0 0 0 0 0 0 0 0 TIMING: 805400 CPU: 3184.85, 0.00394941/step Wall: 3184.85, 0.00394941/step, 1.85908 hours remaining, 113.070312 MB of memory in use. ENERGY: 805400 677.6306 1825.7552 2015.6938 110.5384 0.8798 -1117.6067 0.0000 0.0000 2654.5359 6167.4270 293.2009 3512.8911 6197.8277 295.7603 PRESSURE: 805600 0 0 0 0 0 0 0 0 0 GPRESSURE: 805600 0 0 0 0 0 0 0 0 0 PRESSAVG: 805600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 805600 0 0 0 0 0 0 0 0 0 TIMING: 805600 CPU: 3185.64, 0.00395389/step Wall: 3185.64, 0.00395389/step, 1.86096 hours remaining, 113.070312 MB of memory in use. ENERGY: 805600 677.2286 1757.6862 1996.1958 113.2732 1.6962 -1090.6644 0.0000 0.0000 2744.0021 6199.4177 303.0827 3455.4156 6232.3971 298.5305 PRESSURE: 805800 0 0 0 0 0 0 0 0 0 GPRESSURE: 805800 0 0 0 0 0 0 0 0 0 PRESSAVG: 805800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 805800 0 0 0 0 0 0 0 0 0 TIMING: 805800 CPU: 3186.43, 0.00395281/step Wall: 3186.43, 0.00395281/step, 1.86024 hours remaining, 113.070312 MB of memory in use. ENERGY: 805800 646.8329 1844.8887 1987.1711 111.4411 0.5661 -1083.6565 0.0000 0.0000 2663.8866 6171.1300 294.2337 3507.2433 6204.2642 297.4238 PRESSURE: 806000 0 0 0 0 0 0 0 0 0 GPRESSURE: 806000 0 0 0 0 0 0 0 0 0 PRESSAVG: 806000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 806000 0 0 0 0 0 0 0 0 0 TIMING: 806000 CPU: 3187.22, 0.00395342/step Wall: 3187.22, 0.00395342/step, 1.8603 hours remaining, 113.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 806000 661.6448 1841.4037 2004.2060 101.9640 0.1359 -1112.9586 0.0000 0.0000 2682.4966 6178.8923 296.2892 3496.3957 6209.7709 297.1096 PRESSURE: 806200 0 0 0 0 0 0 0 0 0 GPRESSURE: 806200 0 0 0 0 0 0 0 0 0 PRESSAVG: 806200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 806200 0 0 0 0 0 0 0 0 0 TIMING: 806200 CPU: 3188.01, 0.0039537/step Wall: 3188.01, 0.0039537/step, 1.86022 hours remaining, 113.070312 MB of memory in use. ENERGY: 806200 645.4604 1863.6917 1975.9433 101.8013 0.7669 -1102.3110 0.0000 0.0000 2650.7934 6136.1460 292.7875 3485.3526 6169.3062 295.5075 PRESSURE: 806400 0 0 0 0 0 0 0 0 0 GPRESSURE: 806400 0 0 0 0 0 0 0 0 0 PRESSAVG: 806400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 806400 0 0 0 0 0 0 0 0 0 TIMING: 806400 CPU: 3188.8, 0.00394962/step Wall: 3188.8, 0.00394962/step, 1.85808 hours remaining, 113.070312 MB of memory in use. ENERGY: 806400 636.8324 1779.0882 2004.4831 116.3545 0.2889 -1078.6220 0.0000 0.0000 2708.9815 6167.4068 299.2146 3458.4252 6201.3321 295.7697 PRESSURE: 806600 0 0 0 0 0 0 0 0 0 GPRESSURE: 806600 0 0 0 0 0 0 0 0 0 PRESSAVG: 806600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 806600 0 0 0 0 0 0 0 0 0 TIMING: 806600 CPU: 3189.59, 0.00395339/step Wall: 3189.59, 0.00395339/step, 1.85963 hours remaining, 113.070312 MB of memory in use. ENERGY: 806600 652.0281 1804.3423 1985.7505 98.3971 1.0301 -1070.1861 0.0000 0.0000 2665.6493 6137.0113 294.4284 3471.3620 6168.2410 297.1016 PRESSURE: 806800 0 0 0 0 0 0 0 0 0 GPRESSURE: 806800 0 0 0 0 0 0 0 0 0 PRESSAVG: 806800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 806800 0 0 0 0 0 0 0 0 0 TIMING: 806800 CPU: 3190.38, 0.00395215/step Wall: 3190.38, 0.00395215/step, 1.85883 hours remaining, 113.070312 MB of memory in use. ENERGY: 806800 650.1690 1778.4766 1987.4016 109.5655 0.3917 -1116.4451 0.0000 0.0000 2717.4247 6126.9839 300.1471 3409.5592 6160.2716 293.7010 PRESSURE: 807000 0 0 0 0 0 0 0 0 0 GPRESSURE: 807000 0 0 0 0 0 0 0 0 0 PRESSAVG: 807000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 807000 0 0 0 0 0 0 0 0 0 TIMING: 807000 CPU: 3191.17, 0.00395395/step Wall: 3191.17, 0.00395395/step, 1.85945 hours remaining, 113.070312 MB of memory in use. ENERGY: 807000 649.9530 1883.6224 1994.3948 108.7248 0.4731 -1101.4965 0.0000 0.0000 2634.1796 6169.8512 290.9525 3535.6716 6199.5405 295.1026 PRESSURE: 807200 0 0 0 0 0 0 0 0 0 GPRESSURE: 807200 0 0 0 0 0 0 0 0 0 PRESSAVG: 807200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 807200 0 0 0 0 0 0 0 0 0 TIMING: 807200 CPU: 3191.96, 0.00395313/step Wall: 3191.96, 0.00395313/step, 1.85885 hours remaining, 113.070312 MB of memory in use. ENERGY: 807200 651.0735 1799.6219 1991.6480 104.2195 1.5105 -1074.9262 0.0000 0.0000 2659.4160 6132.5632 293.7399 3473.1472 6164.5449 294.4695 PRESSURE: 807400 0 0 0 0 0 0 0 0 0 GPRESSURE: 807400 0 0 0 0 0 0 0 0 0 PRESSAVG: 807400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 807400 0 0 0 0 0 0 0 0 0 TIMING: 807400 CPU: 3192.75, 0.00394983/step Wall: 3192.75, 0.00394983/step, 1.85708 hours remaining, 113.070312 MB of memory in use. ENERGY: 807400 656.9052 1736.0040 2016.5489 101.9990 0.9101 -1050.5913 0.0000 0.0000 2700.2273 6162.0032 298.2476 3461.7759 6198.3954 295.6068 PRESSURE: 807600 0 0 0 0 0 0 0 0 0 GPRESSURE: 807600 0 0 0 0 0 0 0 0 0 PRESSAVG: 807600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 807600 0 0 0 0 0 0 0 0 0 TIMING: 807600 CPU: 3193.54, 0.00395301/step Wall: 3193.54, 0.00395301/step, 1.85835 hours remaining, 113.074219 MB of memory in use. ENERGY: 807600 653.1297 1823.1566 2020.1096 96.9918 1.8901 -1107.0327 0.0000 0.0000 2679.7873 6168.0323 295.9900 3488.2450 6200.2245 295.6819 PRESSURE: 807800 0 0 0 0 0 0 0 0 0 GPRESSURE: 807800 0 0 0 0 0 0 0 0 0 PRESSAVG: 807800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 807800 0 0 0 0 0 0 0 0 0 TIMING: 807800 CPU: 3194.33, 0.00395304/step Wall: 3194.33, 0.00395304/step, 1.85815 hours remaining, 113.078125 MB of memory in use. ENERGY: 807800 643.0851 1754.2668 2004.2776 111.5388 1.6088 -1034.2171 0.0000 0.0000 2660.3721 6140.9320 293.8455 3480.5600 6173.4238 294.5990 PRESSURE: 808000 0 0 0 0 0 0 0 0 0 GPRESSURE: 808000 0 0 0 0 0 0 0 0 0 PRESSAVG: 808000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 808000 0 0 0 0 0 0 0 0 0 TIMING: 808000 CPU: 3195.13, 0.00395406/step Wall: 3195.13, 0.00395406/step, 1.85841 hours remaining, 113.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 808000 627.0948 1844.6327 2000.8948 103.4904 1.3963 -1029.3327 0.0000 0.0000 2684.2001 6232.3764 296.4774 3548.1763 6262.7588 296.2932 PRESSURE: 808200 0 0 0 0 0 0 0 0 0 GPRESSURE: 808200 0 0 0 0 0 0 0 0 0 PRESSAVG: 808200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 808200 0 0 0 0 0 0 0 0 0 TIMING: 808200 CPU: 3195.92, 0.00394979/step Wall: 3195.92, 0.00394979/step, 1.85618 hours remaining, 113.078125 MB of memory in use. ENERGY: 808200 659.2479 1819.8887 1992.3573 116.8724 1.5262 -1054.4428 0.0000 0.0000 2678.1807 6213.6305 295.8125 3535.4497 6248.7025 298.0093 LDB: ============= START OF LOAD BALANCING ============== 3198.88 LDB: ============== END OF LOAD BALANCING =============== 3198.88 LDB: =============== DONE WITH MIGRATION ================ 3198.88 LDB: ============= START OF LOAD BALANCING ============== 3199.27 LDB: ============== END OF LOAD BALANCING =============== 3199.27 LDB: =============== DONE WITH MIGRATION ================ 3199.27 PRESSURE: 808400 0 0 0 0 0 0 0 0 0 GPRESSURE: 808400 0 0 0 0 0 0 0 0 0 PRESSAVG: 808400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 808400 0 0 0 0 0 0 0 0 0 TIMING: 808400 CPU: 3196.71, 0.00395892/step Wall: 3196.71, 0.00395892/step, 1.86025 hours remaining, 113.078125 MB of memory in use. ENERGY: 808400 655.5369 1856.6160 1992.7486 96.0301 0.1887 -1048.1842 0.0000 0.0000 2679.0128 6231.9489 295.9044 3552.9361 6265.3696 296.7011 PRESSURE: 808600 0 0 0 0 0 0 0 0 0 GPRESSURE: 808600 0 0 0 0 0 0 0 0 0 PRESSAVG: 808600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 808600 0 0 0 0 0 0 0 0 0 TIMING: 808600 CPU: 3197.5, 0.00395382/step Wall: 3197.5, 0.00395382/step, 1.85764 hours remaining, 113.078125 MB of memory in use. ENERGY: 808600 633.0418 1760.2458 1986.7344 108.9615 0.2775 -1058.2315 0.0000 0.0000 2736.8317 6167.8612 302.2907 3431.0296 6200.7168 296.6764 PRESSURE: 808800 0 0 0 0 0 0 0 0 0 GPRESSURE: 808800 0 0 0 0 0 0 0 0 0 PRESSAVG: 808800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 808800 0 0 0 0 0 0 0 0 0 TIMING: 808800 CPU: 3198.29, 0.00395291/step Wall: 3198.29, 0.00395291/step, 1.85699 hours remaining, 113.078125 MB of memory in use. ENERGY: 808800 656.8450 1783.1746 2015.8759 118.7989 1.7069 -1055.3390 0.0000 0.0000 2654.7919 6175.8542 293.2292 3521.0623 6208.3807 294.8787 PRESSURE: 809000 0 0 0 0 0 0 0 0 0 GPRESSURE: 809000 0 0 0 0 0 0 0 0 0 PRESSAVG: 809000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 809000 0 0 0 0 0 0 0 0 0 TIMING: 809000 CPU: 3199.08, 0.00395462/step Wall: 3199.08, 0.00395462/step, 1.85757 hours remaining, 113.078125 MB of memory in use. ENERGY: 809000 667.9715 1810.8620 1980.8129 112.2652 1.8582 -1029.0410 0.0000 0.0000 2701.3972 6246.1260 298.3768 3544.7288 6277.2468 295.7311 PRESSURE: 809200 0 0 0 0 0 0 0 0 0 GPRESSURE: 809200 0 0 0 0 0 0 0 0 0 PRESSAVG: 809200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 809200 0 0 0 0 0 0 0 0 0 TIMING: 809200 CPU: 3199.87, 0.00394888/step Wall: 3199.87, 0.00394888/step, 1.85466 hours remaining, 113.078125 MB of memory in use. ENERGY: 809200 658.0809 1874.2933 2003.4169 111.9026 2.2755 -1055.9709 0.0000 0.0000 2664.2385 6258.2368 294.2726 3593.9983 6291.7710 299.1851 PRESSURE: 809400 0 0 0 0 0 0 0 0 0 GPRESSURE: 809400 0 0 0 0 0 0 0 0 0 PRESSAVG: 809400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 809400 0 0 0 0 0 0 0 0 0 TIMING: 809400 CPU: 3200.66, 0.00395314/step Wall: 3200.66, 0.00395314/step, 1.85644 hours remaining, 113.078125 MB of memory in use. ENERGY: 809400 644.0404 1800.3693 2011.6680 97.1618 2.2197 -1044.8969 0.0000 0.0000 2685.0303 6195.5926 296.5691 3510.5623 6229.5016 298.8658 PRESSURE: 809600 0 0 0 0 0 0 0 0 0 GPRESSURE: 809600 0 0 0 0 0 0 0 0 0 PRESSAVG: 809600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 809600 0 0 0 0 0 0 0 0 0 TIMING: 809600 CPU: 3201.45, 0.00395424/step Wall: 3201.45, 0.00395424/step, 1.85673 hours remaining, 113.078125 MB of memory in use. ENERGY: 809600 661.9096 1828.2544 1982.7312 97.5399 2.5733 -1028.5986 0.0000 0.0000 2673.1343 6217.5442 295.2551 3544.4099 6249.5069 295.4214 PRESSURE: 809800 0 0 0 0 0 0 0 0 0 GPRESSURE: 809800 0 0 0 0 0 0 0 0 0 PRESSAVG: 809800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 809800 0 0 0 0 0 0 0 0 0 TIMING: 809800 CPU: 3202.24, 0.00395366/step Wall: 3202.24, 0.00395366/step, 1.85624 hours remaining, 113.078125 MB of memory in use. ENERGY: 809800 676.2737 1809.2263 1984.8130 94.4504 2.2409 -1034.3325 0.0000 0.0000 2697.1351 6229.8068 297.9061 3532.6717 6264.0686 296.8798 PRESSURE: 810000 0 0 0 0 0 0 0 0 0 GPRESSURE: 810000 0 0 0 0 0 0 0 0 0 PRESSAVG: 810000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 810000 0 0 0 0 0 0 0 0 0 TIMING: 810000 CPU: 3203.03, 0.00395528/step Wall: 3203.03, 0.00395528/step, 1.85678 hours remaining, 113.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 810000 701.6092 1828.6253 1969.5236 100.3899 3.0576 -1046.0103 0.0000 0.0000 2686.9339 6244.1293 296.7793 3557.1954 6274.9693 296.1206 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 810000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 810000 WRITING COORDINATES TO RESTART FILE AT STEP 810000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 810000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 810200 0 0 0 0 0 0 0 0 0 GPRESSURE: 810200 0 0 0 0 0 0 0 0 0 PRESSAVG: 810200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 810200 0 0 0 0 0 0 0 0 0 TIMING: 810200 CPU: 3203.86, 0.00413906/step Wall: 3203.86, 0.00413906/step, 1.94283 hours remaining, 113.078125 MB of memory in use. ENERGY: 810200 651.4843 1825.2665 1992.2716 99.7956 2.0435 -1041.6608 0.0000 0.0000 2720.9122 6250.1129 300.5323 3529.2007 6281.5917 298.0134 PRESSURE: 810400 0 0 0 0 0 0 0 0 0 GPRESSURE: 810400 0 0 0 0 0 0 0 0 0 PRESSAVG: 810400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 810400 0 0 0 0 0 0 0 0 0 TIMING: 810400 CPU: 3204.65, 0.00395422/step Wall: 3204.65, 0.00395422/step, 1.85585 hours remaining, 113.078125 MB of memory in use. ENERGY: 810400 641.2372 1880.4123 2008.2884 109.2094 1.4335 -1063.1794 0.0000 0.0000 2689.6284 6267.0298 297.0770 3577.4014 6301.8753 299.5271 PRESSURE: 810600 0 0 0 0 0 0 0 0 0 GPRESSURE: 810600 0 0 0 0 0 0 0 0 0 PRESSAVG: 810600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 810600 0 0 0 0 0 0 0 0 0 TIMING: 810600 CPU: 3205.44, 0.00395486/step Wall: 3205.44, 0.00395486/step, 1.85593 hours remaining, 113.078125 MB of memory in use. ENERGY: 810600 681.4261 1820.4309 1986.3224 116.6621 0.8411 -1068.1367 0.0000 0.0000 2703.6499 6241.1957 298.6257 3537.5458 6277.2854 298.5532 PRESSURE: 810800 0 0 0 0 0 0 0 0 0 GPRESSURE: 810800 0 0 0 0 0 0 0 0 0 PRESSAVG: 810800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 810800 0 0 0 0 0 0 0 0 0 TIMING: 810800 CPU: 3206.23, 0.00395563/step Wall: 3206.23, 0.00395563/step, 1.85607 hours remaining, 113.078125 MB of memory in use. ENERGY: 810800 668.0887 1793.2848 1999.3767 108.3448 1.9162 -1061.5021 0.0000 0.0000 2695.8818 6205.3910 297.7677 3509.5091 6237.2819 297.7288 PRESSURE: 811000 0 0 0 0 0 0 0 0 0 GPRESSURE: 811000 0 0 0 0 0 0 0 0 0 PRESSAVG: 811000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 811000 0 0 0 0 0 0 0 0 0 TIMING: 811000 CPU: 3207.02, 0.00395612/step Wall: 3207.02, 0.00395612/step, 1.85608 hours remaining, 113.078125 MB of memory in use. ENERGY: 811000 633.2763 1819.8252 2013.2119 113.0911 2.7585 -1053.6915 0.0000 0.0000 2686.6639 6215.1353 296.7495 3528.4714 6246.9933 295.7941 PRESSURE: 811200 0 0 0 0 0 0 0 0 0 GPRESSURE: 811200 0 0 0 0 0 0 0 0 0 PRESSAVG: 811200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 811200 0 0 0 0 0 0 0 0 0 TIMING: 811200 CPU: 3207.81, 0.00394982/step Wall: 3207.81, 0.00394982/step, 1.8529 hours remaining, 113.078125 MB of memory in use. ENERGY: 811200 672.7566 1831.5409 2032.9406 112.3383 1.6984 -1066.9890 0.0000 0.0000 2678.3185 6262.6044 295.8277 3584.2859 6294.0702 298.2066 PRESSURE: 811400 0 0 0 0 0 0 0 0 0 GPRESSURE: 811400 0 0 0 0 0 0 0 0 0 PRESSAVG: 811400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 811400 0 0 0 0 0 0 0 0 0 TIMING: 811400 CPU: 3208.61, 0.00395498/step Wall: 3208.61, 0.00395498/step, 1.85511 hours remaining, 113.078125 MB of memory in use. ENERGY: 811400 637.7066 1815.9643 2009.0968 101.1376 2.7044 -1058.7413 0.0000 0.0000 2732.5050 6240.3735 301.8128 3507.8684 6274.8472 299.3790 PRESSURE: 811600 0 0 0 0 0 0 0 0 0 GPRESSURE: 811600 0 0 0 0 0 0 0 0 0 PRESSAVG: 811600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 811600 0 0 0 0 0 0 0 0 0 TIMING: 811600 CPU: 3209.4, 0.0039556/step Wall: 3209.4, 0.0039556/step, 1.85517 hours remaining, 113.078125 MB of memory in use. ENERGY: 811600 691.2965 1821.6258 1985.5105 111.1246 1.8773 -1060.4887 0.0000 0.0000 2723.9410 6274.8871 300.8669 3550.9460 6306.5098 300.1972 PRESSURE: 811800 0 0 0 0 0 0 0 0 0 GPRESSURE: 811800 0 0 0 0 0 0 0 0 0 PRESSAVG: 811800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 811800 0 0 0 0 0 0 0 0 0 TIMING: 811800 CPU: 3210.19, 0.00395396/step Wall: 3210.19, 0.00395396/step, 1.85419 hours remaining, 113.078125 MB of memory in use. ENERGY: 811800 610.1894 1807.1568 2023.9273 115.7665 1.5533 -1039.9628 0.0000 0.0000 2733.5315 6252.1620 301.9262 3518.6305 6288.0688 299.4973 PRESSURE: 812000 0 0 0 0 0 0 0 0 0 GPRESSURE: 812000 0 0 0 0 0 0 0 0 0 PRESSAVG: 812000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 812000 0 0 0 0 0 0 0 0 0 TIMING: 812000 CPU: 3210.98, 0.00395453/step Wall: 3210.98, 0.00395453/step, 1.85424 hours remaining, 113.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 812000 635.2500 1863.2284 1990.4381 111.2750 3.1483 -1060.3684 0.0000 0.0000 2698.8521 6241.8235 298.0957 3542.9714 6276.0392 299.8584 PRESSURE: 812200 0 0 0 0 0 0 0 0 0 GPRESSURE: 812200 0 0 0 0 0 0 0 0 0 PRESSAVG: 812200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 812200 0 0 0 0 0 0 0 0 0 TIMING: 812200 CPU: 3211.77, 0.00394858/step Wall: 3211.77, 0.00394858/step, 1.85123 hours remaining, 113.082031 MB of memory in use. ENERGY: 812200 628.3153 1825.4850 2016.9340 111.3820 1.3485 -1083.4900 0.0000 0.0000 2736.9609 6236.9358 302.3050 3499.9748 6273.9533 299.9926 LDB: ============= START OF LOAD BALANCING ============== 3214.73 LDB: ============== END OF LOAD BALANCING =============== 3214.73 LDB: =============== DONE WITH MIGRATION ================ 3214.73 LDB: ============= START OF LOAD BALANCING ============== 3215.12 LDB: ============== END OF LOAD BALANCING =============== 3215.12 LDB: =============== DONE WITH MIGRATION ================ 3215.12 PRESSURE: 812400 0 0 0 0 0 0 0 0 0 GPRESSURE: 812400 0 0 0 0 0 0 0 0 0 PRESSAVG: 812400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 812400 0 0 0 0 0 0 0 0 0 TIMING: 812400 CPU: 3212.56, 0.00395702/step Wall: 3212.56, 0.00395702/step, 1.85496 hours remaining, 113.082031 MB of memory in use. ENERGY: 812400 650.3714 1850.1510 1996.2634 113.4121 1.8716 -1076.7791 0.0000 0.0000 2777.0986 6312.3890 306.7383 3535.2904 6347.4348 301.1883 PRESSURE: 812600 0 0 0 0 0 0 0 0 0 GPRESSURE: 812600 0 0 0 0 0 0 0 0 0 PRESSAVG: 812600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 812600 0 0 0 0 0 0 0 0 0 TIMING: 812600 CPU: 3213.35, 0.00395432/step Wall: 3213.35, 0.00395432/step, 1.85348 hours remaining, 113.085938 MB of memory in use. ENERGY: 812600 674.7385 1847.0736 1999.7781 113.9428 2.1997 -1060.0275 0.0000 0.0000 2757.9107 6335.6158 304.6189 3577.7051 6369.5884 303.8663 PRESSURE: 812800 0 0 0 0 0 0 0 0 0 GPRESSURE: 812800 0 0 0 0 0 0 0 0 0 PRESSAVG: 812800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 812800 0 0 0 0 0 0 0 0 0 TIMING: 812800 CPU: 3214.14, 0.00395369/step Wall: 3214.14, 0.00395369/step, 1.85296 hours remaining, 113.085938 MB of memory in use. ENERGY: 812800 644.5291 1846.2919 2022.3875 111.1314 1.4434 -1076.1138 0.0000 0.0000 2756.1009 6305.7704 304.4190 3549.6696 6342.5780 304.1320 PRESSURE: 813000 0 0 0 0 0 0 0 0 0 GPRESSURE: 813000 0 0 0 0 0 0 0 0 0 PRESSAVG: 813000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 813000 0 0 0 0 0 0 0 0 0 TIMING: 813000 CPU: 3214.93, 0.00394826/step Wall: 3214.93, 0.00394826/step, 1.8502 hours remaining, 113.085938 MB of memory in use. ENERGY: 813000 628.8008 1859.4535 2005.1907 112.5317 1.7023 -1049.9382 0.0000 0.0000 2740.7323 6298.4730 302.7215 3557.7407 6331.9987 301.8007 PRESSURE: 813200 0 0 0 0 0 0 0 0 0 GPRESSURE: 813200 0 0 0 0 0 0 0 0 0 PRESSAVG: 813200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 813200 0 0 0 0 0 0 0 0 0 TIMING: 813200 CPU: 3215.72, 0.00395498/step Wall: 3215.72, 0.00395498/step, 1.85313 hours remaining, 113.085938 MB of memory in use. ENERGY: 813200 613.1591 1908.7658 2003.2019 99.8530 1.8072 -1040.0924 0.0000 0.0000 2739.0002 6325.6947 302.5302 3586.6946 6357.7270 302.8514 PRESSURE: 813400 0 0 0 0 0 0 0 0 0 GPRESSURE: 813400 0 0 0 0 0 0 0 0 0 PRESSAVG: 813400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 813400 0 0 0 0 0 0 0 0 0 TIMING: 813400 CPU: 3216.51, 0.00395485/step Wall: 3216.51, 0.00395485/step, 1.85285 hours remaining, 113.085938 MB of memory in use. ENERGY: 813400 672.9367 1873.2353 1980.2293 107.1053 0.4096 -1065.6734 0.0000 0.0000 2789.2591 6357.5020 308.0814 3568.2429 6390.2110 304.4687 PRESSURE: 813600 0 0 0 0 0 0 0 0 0 GPRESSURE: 813600 0 0 0 0 0 0 0 0 0 PRESSAVG: 813600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 813600 0 0 0 0 0 0 0 0 0 TIMING: 813600 CPU: 3217.3, 0.00395298/step Wall: 3217.3, 0.00395298/step, 1.85175 hours remaining, 113.089844 MB of memory in use. ENERGY: 813600 663.0112 1836.2732 2015.9515 109.2799 2.1518 -1024.9282 0.0000 0.0000 2759.5187 6361.2581 304.7965 3601.7394 6394.7133 304.4717 PRESSURE: 813800 0 0 0 0 0 0 0 0 0 GPRESSURE: 813800 0 0 0 0 0 0 0 0 0 PRESSAVG: 813800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 813800 0 0 0 0 0 0 0 0 0 TIMING: 813800 CPU: 3218.09, 0.0039531/step Wall: 3218.09, 0.0039531/step, 1.85159 hours remaining, 113.089844 MB of memory in use. ENERGY: 813800 679.8678 1872.8070 2032.5609 91.5907 1.1766 -1049.8597 0.0000 0.0000 2724.9111 6353.0546 300.9740 3628.1435 6383.1727 306.5424 PRESSURE: 814000 0 0 0 0 0 0 0 0 0 GPRESSURE: 814000 0 0 0 0 0 0 0 0 0 PRESSAVG: 814000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 814000 0 0 0 0 0 0 0 0 0 TIMING: 814000 CPU: 3218.88, 0.00394718/step Wall: 3218.88, 0.00394718/step, 1.8486 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 814000 691.9772 1889.4905 2015.0441 101.1522 0.0473 -1056.0819 0.0000 0.0000 2753.9107 6395.5401 304.1771 3641.6294 6426.8521 305.8045 PRESSURE: 814200 0 0 0 0 0 0 0 0 0 GPRESSURE: 814200 0 0 0 0 0 0 0 0 0 PRESSAVG: 814200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 814200 0 0 0 0 0 0 0 0 0 TIMING: 814200 CPU: 3219.68, 0.0039615/step Wall: 3219.68, 0.0039615/step, 1.85508 hours remaining, 113.089844 MB of memory in use. ENERGY: 814200 682.5569 1862.9095 2012.6041 108.2204 2.5461 -1073.1578 0.0000 0.0000 2787.1429 6382.8222 307.8477 3595.6793 6416.8846 307.6045 PRESSURE: 814400 0 0 0 0 0 0 0 0 0 GPRESSURE: 814400 0 0 0 0 0 0 0 0 0 PRESSAVG: 814400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 814400 0 0 0 0 0 0 0 0 0 TIMING: 814400 CPU: 3220.47, 0.00395164/step Wall: 3220.47, 0.00395164/step, 1.85025 hours remaining, 113.089844 MB of memory in use. ENERGY: 814400 657.7543 1872.7605 2032.8260 107.6680 2.9712 -1068.0420 0.0000 0.0000 2750.9315 6356.8694 303.8481 3605.9379 6389.7967 305.1836 PRESSURE: 814600 0 0 0 0 0 0 0 0 0 GPRESSURE: 814600 0 0 0 0 0 0 0 0 0 PRESSAVG: 814600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 814600 0 0 0 0 0 0 0 0 0 TIMING: 814600 CPU: 3221.26, 0.0039522/step Wall: 3221.26, 0.0039522/step, 1.85029 hours remaining, 113.089844 MB of memory in use. ENERGY: 814600 663.4634 1935.0335 1972.9852 109.1682 1.7467 -1043.0779 0.0000 0.0000 2704.2731 6343.5921 298.6945 3639.3191 6376.9754 306.3522 PRESSURE: 814800 0 0 0 0 0 0 0 0 0 GPRESSURE: 814800 0 0 0 0 0 0 0 0 0 PRESSAVG: 814800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 814800 0 0 0 0 0 0 0 0 0 TIMING: 814800 CPU: 3222.05, 0.00396261/step Wall: 3222.05, 0.00396261/step, 1.85494 hours remaining, 113.089844 MB of memory in use. ENERGY: 814800 698.9330 1850.9339 1965.2361 119.0175 2.0489 -1051.2907 0.0000 0.0000 2716.0532 6300.9320 299.9956 3584.8788 6332.4549 302.5435 PRESSURE: 815000 0 0 0 0 0 0 0 0 0 GPRESSURE: 815000 0 0 0 0 0 0 0 0 0 PRESSAVG: 815000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 815000 0 0 0 0 0 0 0 0 0 TIMING: 815000 CPU: 3222.84, 0.00395209/step Wall: 3222.84, 0.00395209/step, 1.8498 hours remaining, 113.089844 MB of memory in use. ENERGY: 815000 683.2714 1861.4255 1979.8489 116.0614 3.3975 -1059.2558 0.0000 0.0000 2701.7870 6286.5360 298.4199 3584.7490 6319.4360 301.5810 PRESSURE: 815200 0 0 0 0 0 0 0 0 0 GPRESSURE: 815200 0 0 0 0 0 0 0 0 0 PRESSAVG: 815200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 815200 0 0 0 0 0 0 0 0 0 TIMING: 815200 CPU: 3223.63, 0.00395473/step Wall: 3223.63, 0.00395473/step, 1.85081 hours remaining, 113.089844 MB of memory in use. ENERGY: 815200 641.2100 1860.8864 1973.5306 88.9262 2.9592 -1052.9738 0.0000 0.0000 2797.6933 6312.2320 309.0130 3514.5387 6346.1097 301.2938 PRESSURE: 815400 0 0 0 0 0 0 0 0 0 GPRESSURE: 815400 0 0 0 0 0 0 0 0 0 PRESSAVG: 815400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 815400 0 0 0 0 0 0 0 0 0 TIMING: 815400 CPU: 3224.42, 0.00395121/step Wall: 3224.42, 0.00395121/step, 1.84895 hours remaining, 113.089844 MB of memory in use. ENERGY: 815400 668.7543 1861.1874 1993.2008 112.0449 2.3250 -1109.8545 0.0000 0.0000 2720.3138 6247.9717 300.4662 3527.6579 6281.8264 304.3472 PRESSURE: 815600 0 0 0 0 0 0 0 0 0 GPRESSURE: 815600 0 0 0 0 0 0 0 0 0 PRESSAVG: 815600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 815600 0 0 0 0 0 0 0 0 0 TIMING: 815600 CPU: 3225.21, 0.0039521/step Wall: 3225.21, 0.0039521/step, 1.84914 hours remaining, 113.089844 MB of memory in use. ENERGY: 815600 634.6051 1851.3245 1992.1827 105.3893 0.9066 -1057.3875 0.0000 0.0000 2744.6558 6271.6766 303.1549 3527.0208 6305.0073 299.9695 PRESSURE: 815800 0 0 0 0 0 0 0 0 0 GPRESSURE: 815800 0 0 0 0 0 0 0 0 0 PRESSAVG: 815800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 815800 0 0 0 0 0 0 0 0 0 TIMING: 815800 CPU: 3226, 0.00395129/step Wall: 3226, 0.00395129/step, 1.84854 hours remaining, 113.089844 MB of memory in use. ENERGY: 815800 685.9828 1855.0013 1958.6997 113.8373 2.2270 -1075.0328 0.0000 0.0000 2724.3329 6265.0481 300.9102 3540.7152 6294.1192 300.7749 PRESSURE: 816000 0 0 0 0 0 0 0 0 0 GPRESSURE: 816000 0 0 0 0 0 0 0 0 0 PRESSAVG: 816000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 816000 0 0 0 0 0 0 0 0 0 TIMING: 816000 CPU: 3226.79, 0.00395007/step Wall: 3226.79, 0.00395007/step, 1.84775 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 816000 664.8393 1813.2894 2016.4196 108.7606 2.4132 -1091.0676 0.0000 0.0000 2731.3787 6246.0331 301.6884 3514.6545 6280.5166 301.0469 PRESSURE: 816200 0 0 0 0 0 0 0 0 0 GPRESSURE: 816200 0 0 0 0 0 0 0 0 0 PRESSAVG: 816200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 816200 0 0 0 0 0 0 0 0 0 TIMING: 816200 CPU: 3227.58, 0.00395339/step Wall: 3227.58, 0.00395339/step, 1.84909 hours remaining, 113.089844 MB of memory in use. ENERGY: 816200 634.3420 1834.7186 1991.0624 110.9669 1.8870 -1097.1763 0.0000 0.0000 2730.9328 6206.7334 301.6391 3475.8006 6242.4648 298.4014 LDB: ============= START OF LOAD BALANCING ============== 3230.54 LDB: ============== END OF LOAD BALANCING =============== 3230.54 LDB: =============== DONE WITH MIGRATION ================ 3230.54 LDB: ============= START OF LOAD BALANCING ============== 3230.94 LDB: ============== END OF LOAD BALANCING =============== 3230.94 LDB: =============== DONE WITH MIGRATION ================ 3230.94 PRESSURE: 816400 0 0 0 0 0 0 0 0 0 GPRESSURE: 816400 0 0 0 0 0 0 0 0 0 PRESSAVG: 816400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 816400 0 0 0 0 0 0 0 0 0 TIMING: 816400 CPU: 3228.37, 0.00395566/step Wall: 3228.37, 0.00395566/step, 1.84993 hours remaining, 113.089844 MB of memory in use. ENERGY: 816400 683.8618 1840.1168 1984.1438 119.4743 2.9984 -1085.5958 0.0000 0.0000 2703.5941 6248.5934 298.6195 3544.9993 6280.7367 298.8343 PRESSURE: 816600 0 0 0 0 0 0 0 0 0 GPRESSURE: 816600 0 0 0 0 0 0 0 0 0 PRESSAVG: 816600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 816600 0 0 0 0 0 0 0 0 0 TIMING: 816600 CPU: 3229.16, 0.00395239/step Wall: 3229.16, 0.00395239/step, 1.84818 hours remaining, 113.089844 MB of memory in use. ENERGY: 816600 678.6568 1853.3131 1981.3765 102.4635 2.5484 -1057.7596 0.0000 0.0000 2636.2824 6196.8811 291.1847 3560.5987 6226.4512 297.1954 PRESSURE: 816800 0 0 0 0 0 0 0 0 0 GPRESSURE: 816800 0 0 0 0 0 0 0 0 0 PRESSAVG: 816800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 816800 0 0 0 0 0 0 0 0 0 TIMING: 816800 CPU: 3229.95, 0.00394886/step Wall: 3229.95, 0.00394886/step, 1.84631 hours remaining, 113.089844 MB of memory in use. ENERGY: 816800 651.5597 1841.9788 1969.4173 98.6489 0.8716 -1047.5987 0.0000 0.0000 2675.2117 6190.0893 295.4846 3514.8776 6221.0608 297.8724 PRESSURE: 817000 0 0 0 0 0 0 0 0 0 GPRESSURE: 817000 0 0 0 0 0 0 0 0 0 PRESSAVG: 817000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 817000 0 0 0 0 0 0 0 0 0 TIMING: 817000 CPU: 3230.74, 0.00395327/step Wall: 3230.74, 0.00395327/step, 1.84816 hours remaining, 113.089844 MB of memory in use. ENERGY: 817000 652.3867 1836.1218 1999.0577 97.9936 2.3400 -1075.7622 0.0000 0.0000 2670.7344 6182.8720 294.9901 3512.1376 6217.0895 296.3620 PRESSURE: 817200 0 0 0 0 0 0 0 0 0 GPRESSURE: 817200 0 0 0 0 0 0 0 0 0 PRESSAVG: 817200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 817200 0 0 0 0 0 0 0 0 0 TIMING: 817200 CPU: 3231.53, 0.00395375/step Wall: 3231.53, 0.00395375/step, 1.84816 hours remaining, 113.089844 MB of memory in use. ENERGY: 817200 651.1152 1813.5901 1990.4795 105.2099 1.6193 -1048.1558 0.0000 0.0000 2646.9174 6160.7756 292.3594 3513.8582 6195.7833 296.4054 PRESSURE: 817400 0 0 0 0 0 0 0 0 0 GPRESSURE: 817400 0 0 0 0 0 0 0 0 0 PRESSAVG: 817400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 817400 0 0 0 0 0 0 0 0 0 TIMING: 817400 CPU: 3232.33, 0.00395297/step Wall: 3232.33, 0.00395298/step, 1.84758 hours remaining, 113.089844 MB of memory in use. ENERGY: 817400 660.9532 1853.9956 1979.1349 105.6030 1.9108 -1072.5171 0.0000 0.0000 2638.1504 6167.2309 291.3911 3529.0805 6199.2168 295.2073 PRESSURE: 817600 0 0 0 0 0 0 0 0 0 GPRESSURE: 817600 0 0 0 0 0 0 0 0 0 PRESSAVG: 817600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 817600 0 0 0 0 0 0 0 0 0 TIMING: 817600 CPU: 3233.12, 0.00395509/step Wall: 3233.12, 0.00395509/step, 1.84835 hours remaining, 113.089844 MB of memory in use. ENERGY: 817600 652.3876 1794.0286 1997.5444 106.3870 3.3891 -1072.5937 0.0000 0.0000 2705.6898 6186.8328 298.8510 3481.1430 6221.2240 298.2239 PRESSURE: 817800 0 0 0 0 0 0 0 0 0 GPRESSURE: 817800 0 0 0 0 0 0 0 0 0 PRESSAVG: 817800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 817800 0 0 0 0 0 0 0 0 0 TIMING: 817800 CPU: 3233.91, 0.0039485/step Wall: 3233.91, 0.0039485/step, 1.84505 hours remaining, 113.089844 MB of memory in use. ENERGY: 817800 615.3294 1899.5075 1986.6106 103.3840 0.6243 -1072.7271 0.0000 0.0000 2664.2599 6196.9886 294.2749 3532.7287 6229.2790 298.2717 PRESSURE: 818000 0 0 0 0 0 0 0 0 0 GPRESSURE: 818000 0 0 0 0 0 0 0 0 0 PRESSAVG: 818000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 818000 0 0 0 0 0 0 0 0 0 TIMING: 818000 CPU: 3234.7, 0.00395296/step Wall: 3234.7, 0.00395296/step, 1.84691 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 818000 634.1108 1832.2324 1990.2045 114.5311 1.2889 -1040.2108 0.0000 0.0000 2679.2772 6211.4342 295.9336 3532.1569 6243.6353 297.9257 PRESSURE: 818200 0 0 0 0 0 0 0 0 0 GPRESSURE: 818200 0 0 0 0 0 0 0 0 0 PRESSAVG: 818200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 818200 0 0 0 0 0 0 0 0 0 TIMING: 818200 CPU: 3235.49, 0.00395326/step Wall: 3235.49, 0.00395326/step, 1.84683 hours remaining, 113.089844 MB of memory in use. ENERGY: 818200 674.7379 1823.2430 1984.2654 111.6732 -0.0558 -1017.6973 0.0000 0.0000 2709.4235 6285.5899 299.2634 3576.1664 6320.0917 298.4180 PRESSURE: 818400 0 0 0 0 0 0 0 0 0 GPRESSURE: 818400 0 0 0 0 0 0 0 0 0 PRESSAVG: 818400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 818400 0 0 0 0 0 0 0 0 0 TIMING: 818400 CPU: 3236.28, 0.00395223/step Wall: 3236.28, 0.00395223/step, 1.84613 hours remaining, 113.089844 MB of memory in use. ENERGY: 818400 712.7481 1858.8910 1991.5332 110.5753 0.2645 -1065.1436 0.0000 0.0000 2758.7388 6367.6073 304.7104 3608.8686 6401.9974 303.4873 PRESSURE: 818600 0 0 0 0 0 0 0 0 0 GPRESSURE: 818600 0 0 0 0 0 0 0 0 0 PRESSAVG: 818600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 818600 0 0 0 0 0 0 0 0 0 TIMING: 818600 CPU: 3237.07, 0.00395226/step Wall: 3237.07, 0.00395226/step, 1.84593 hours remaining, 113.089844 MB of memory in use. ENERGY: 818600 688.7679 1892.5569 1972.0900 106.0242 0.6534 -1049.3577 0.0000 0.0000 2803.8735 6414.6081 309.6956 3610.7346 6448.4534 307.9236 PRESSURE: 818800 0 0 0 0 0 0 0 0 0 GPRESSURE: 818800 0 0 0 0 0 0 0 0 0 PRESSAVG: 818800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 818800 0 0 0 0 0 0 0 0 0 TIMING: 818800 CPU: 3237.86, 0.00394796/step Wall: 3237.86, 0.00394796/step, 1.8437 hours remaining, 113.089844 MB of memory in use. ENERGY: 818800 673.2719 1868.2059 2008.2976 101.8929 0.5555 -1046.8905 0.0000 0.0000 2739.1000 6344.4334 302.5412 3605.3335 6376.6029 307.3143 PRESSURE: 819000 0 0 0 0 0 0 0 0 0 GPRESSURE: 819000 0 0 0 0 0 0 0 0 0 PRESSAVG: 819000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 819000 0 0 0 0 0 0 0 0 0 TIMING: 819000 CPU: 3238.65, 0.00395273/step Wall: 3238.65, 0.00395273/step, 1.84571 hours remaining, 113.089844 MB of memory in use. ENERGY: 819000 663.7673 1878.3127 2003.5996 121.6332 0.7898 -1065.8846 0.0000 0.0000 2711.4597 6313.6777 299.4883 3602.2180 6343.8514 303.2239 PRESSURE: 819200 0 0 0 0 0 0 0 0 0 GPRESSURE: 819200 0 0 0 0 0 0 0 0 0 PRESSAVG: 819200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 819200 0 0 0 0 0 0 0 0 0 TIMING: 819200 CPU: 3239.44, 0.00395231/step Wall: 3239.44, 0.00395231/step, 1.84529 hours remaining, 113.089844 MB of memory in use. ENERGY: 819200 639.3142 1836.7303 2019.2014 114.4536 1.2032 -1040.6824 0.0000 0.0000 2688.2490 6258.4693 296.9246 3570.2203 6292.0658 301.8096 PRESSURE: 819400 0 0 0 0 0 0 0 0 0 GPRESSURE: 819400 0 0 0 0 0 0 0 0 0 PRESSAVG: 819400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 819400 0 0 0 0 0 0 0 0 0 TIMING: 819400 CPU: 3240.23, 0.0039509/step Wall: 3240.23, 0.0039509/step, 1.84441 hours remaining, 113.089844 MB of memory in use. ENERGY: 819400 643.2522 1830.3707 2014.0268 116.0989 2.7457 -1023.0337 0.0000 0.0000 2670.1981 6253.6587 294.9308 3583.4606 6286.8086 299.0136 PRESSURE: 819600 0 0 0 0 0 0 0 0 0 GPRESSURE: 819600 0 0 0 0 0 0 0 0 0 PRESSAVG: 819600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 819600 0 0 0 0 0 0 0 0 0 TIMING: 819600 CPU: 3241.02, 0.00394908/step Wall: 3241.02, 0.00394908/step, 1.84334 hours remaining, 113.089844 MB of memory in use. ENERGY: 819600 661.0071 1818.9361 1998.4600 96.2594 2.4337 -1033.7044 0.0000 0.0000 2729.2096 6272.6016 301.4488 3543.3920 6305.2222 300.5550 PRESSURE: 819800 0 0 0 0 0 0 0 0 0 GPRESSURE: 819800 0 0 0 0 0 0 0 0 0 PRESSAVG: 819800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 819800 0 0 0 0 0 0 0 0 0 TIMING: 819800 CPU: 3241.81, 0.00395121/step Wall: 3241.81, 0.00395121/step, 1.84412 hours remaining, 113.089844 MB of memory in use. ENERGY: 819800 634.5314 1866.5622 1977.1602 115.6622 0.9706 -1043.8104 0.0000 0.0000 2703.5392 6254.6153 298.6134 3551.0761 6288.7083 300.9846 PRESSURE: 820000 0 0 0 0 0 0 0 0 0 GPRESSURE: 820000 0 0 0 0 0 0 0 0 0 PRESSAVG: 820000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 820000 0 0 0 0 0 0 0 0 0 TIMING: 820000 CPU: 3242.6, 0.00395337/step Wall: 3242.6, 0.00395337/step, 1.84491 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 820000 658.8138 1842.7145 1979.3652 97.7064 1.3109 -1038.0947 0.0000 0.0000 2736.5407 6278.3568 302.2585 3541.8161 6311.1460 299.7112 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 820000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 820000 WRITING COORDINATES TO RESTART FILE AT STEP 820000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 820000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 820200 0 0 0 0 0 0 0 0 0 GPRESSURE: 820200 0 0 0 0 0 0 0 0 0 PRESSAVG: 820200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 820200 0 0 0 0 0 0 0 0 0 TIMING: 820200 CPU: 3243.43, 0.00416703/step Wall: 3243.43, 0.00416703/step, 1.94438 hours remaining, 113.089844 MB of memory in use. ENERGY: 820200 640.0435 1862.1633 1993.3284 113.2332 1.4823 -1072.4323 0.0000 0.0000 2724.2991 6262.1175 300.9064 3537.8184 6298.6103 301.0718 LDB: ============= START OF LOAD BALANCING ============== 3246.39 LDB: ============== END OF LOAD BALANCING =============== 3246.39 LDB: =============== DONE WITH MIGRATION ================ 3246.39 LDB: ============= START OF LOAD BALANCING ============== 3246.79 LDB: ============== END OF LOAD BALANCING =============== 3246.79 LDB: =============== DONE WITH MIGRATION ================ 3246.79 PRESSURE: 820400 0 0 0 0 0 0 0 0 0 GPRESSURE: 820400 0 0 0 0 0 0 0 0 0 PRESSAVG: 820400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 820400 0 0 0 0 0 0 0 0 0 TIMING: 820400 CPU: 3244.22, 0.00395621/step Wall: 3244.22, 0.00395621/step, 1.84579 hours remaining, 113.089844 MB of memory in use. ENERGY: 820400 655.0964 1851.9023 2029.0477 96.2585 2.6608 -1053.7789 0.0000 0.0000 2623.0790 6204.2657 289.7264 3581.1867 6237.0326 297.7173 PRESSURE: 820600 0 0 0 0 0 0 0 0 0 GPRESSURE: 820600 0 0 0 0 0 0 0 0 0 PRESSAVG: 820600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 820600 0 0 0 0 0 0 0 0 0 TIMING: 820600 CPU: 3245.01, 0.00394853/step Wall: 3245.01, 0.00394853/step, 1.84199 hours remaining, 113.089844 MB of memory in use. ENERGY: 820600 628.0268 1824.5129 2031.0698 106.0028 0.5411 -1042.6987 0.0000 0.0000 2697.7369 6245.1916 297.9726 3547.4547 6279.3989 294.7452 PRESSURE: 820800 0 0 0 0 0 0 0 0 0 GPRESSURE: 820800 0 0 0 0 0 0 0 0 0 PRESSAVG: 820800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 820800 0 0 0 0 0 0 0 0 0 TIMING: 820800 CPU: 3245.8, 0.00395252/step Wall: 3245.8, 0.00395252/step, 1.84363 hours remaining, 113.089844 MB of memory in use. ENERGY: 820800 652.4535 1821.1585 2008.1873 120.1411 0.3150 -1034.0019 0.0000 0.0000 2712.1489 6280.4024 299.5644 3568.2535 6311.1638 297.8425 PRESSURE: 821000 0 0 0 0 0 0 0 0 0 GPRESSURE: 821000 0 0 0 0 0 0 0 0 0 PRESSAVG: 821000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 821000 0 0 0 0 0 0 0 0 0 TIMING: 821000 CPU: 3246.6, 0.00395372/step Wall: 3246.6, 0.00395372/step, 1.84397 hours remaining, 113.089844 MB of memory in use. ENERGY: 821000 630.7121 1863.3146 2018.8219 114.5765 1.1435 -1062.5059 0.0000 0.0000 2712.7268 6278.7896 299.6282 3566.0627 6313.0583 301.2274 PRESSURE: 821200 0 0 0 0 0 0 0 0 0 GPRESSURE: 821200 0 0 0 0 0 0 0 0 0 PRESSAVG: 821200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 821200 0 0 0 0 0 0 0 0 0 TIMING: 821200 CPU: 3247.39, 0.00395267/step Wall: 3247.39, 0.00395267/step, 1.84326 hours remaining, 113.089844 MB of memory in use. ENERGY: 821200 631.7765 1791.3450 2027.6066 120.1687 2.1156 -1065.0299 0.0000 0.0000 2808.9378 6316.9202 310.2550 3507.9825 6354.5769 303.0072 PRESSURE: 821400 0 0 0 0 0 0 0 0 0 GPRESSURE: 821400 0 0 0 0 0 0 0 0 0 PRESSAVG: 821400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 821400 0 0 0 0 0 0 0 0 0 TIMING: 821400 CPU: 3248.18, 0.00395068/step Wall: 3248.18, 0.00395068/step, 1.84211 hours remaining, 113.089844 MB of memory in use. ENERGY: 821400 659.3856 1812.2233 2021.7026 99.3271 1.7388 -1076.6755 0.0000 0.0000 2763.9089 6281.6108 305.2814 3517.7019 6314.2718 302.8496 PRESSURE: 821600 0 0 0 0 0 0 0 0 0 GPRESSURE: 821600 0 0 0 0 0 0 0 0 0 PRESSAVG: 821600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 821600 0 0 0 0 0 0 0 0 0 TIMING: 821600 CPU: 3248.97, 0.00394759/step Wall: 3248.97, 0.00394759/step, 1.84045 hours remaining, 113.089844 MB of memory in use. ENERGY: 821600 668.2659 1849.1583 1991.4858 117.1014 1.4740 -1095.2236 0.0000 0.0000 2768.9527 6301.2145 305.8385 3532.2618 6335.5106 303.0283 PRESSURE: 821800 0 0 0 0 0 0 0 0 0 GPRESSURE: 821800 0 0 0 0 0 0 0 0 0 PRESSAVG: 821800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 821800 0 0 0 0 0 0 0 0 0 TIMING: 821800 CPU: 3249.76, 0.00395259/step Wall: 3249.76, 0.00395259/step, 1.84257 hours remaining, 113.089844 MB of memory in use. ENERGY: 821800 680.2275 1850.0449 1992.7490 102.4022 1.8621 -1064.6668 0.0000 0.0000 2762.3777 6324.9965 305.1123 3562.6189 6355.6692 305.2783 PRESSURE: 822000 0 0 0 0 0 0 0 0 0 GPRESSURE: 822000 0 0 0 0 0 0 0 0 0 PRESSAVG: 822000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 822000 0 0 0 0 0 0 0 0 0 TIMING: 822000 CPU: 3250.55, 0.00395285/step Wall: 3250.55, 0.00395285/step, 1.84247 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 822000 644.4310 1860.9340 1984.0565 106.4338 1.7987 -1045.3058 0.0000 0.0000 2730.7293 6283.0775 301.6167 3552.3482 6318.9843 300.3620 PRESSURE: 822200 0 0 0 0 0 0 0 0 0 GPRESSURE: 822200 0 0 0 0 0 0 0 0 0 PRESSAVG: 822200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 822200 0 0 0 0 0 0 0 0 0 TIMING: 822200 CPU: 3251.34, 0.00395517/step Wall: 3251.34, 0.00395517/step, 1.84333 hours remaining, 113.089844 MB of memory in use. ENERGY: 822200 649.0276 1842.2624 2002.4209 107.5847 1.8917 -1059.5524 0.0000 0.0000 2751.5609 6295.1958 303.9176 3543.6349 6332.4836 302.1001 PRESSURE: 822400 0 0 0 0 0 0 0 0 0 GPRESSURE: 822400 0 0 0 0 0 0 0 0 0 PRESSAVG: 822400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 822400 0 0 0 0 0 0 0 0 0 TIMING: 822400 CPU: 3252.13, 0.00395192/step Wall: 3252.13, 0.00395192/step, 1.84159 hours remaining, 113.089844 MB of memory in use. ENERGY: 822400 689.6393 1777.8651 1995.9486 101.8925 1.6795 -1030.2262 0.0000 0.0000 2741.0306 6277.8294 302.7545 3536.7988 6308.3364 300.3787 PRESSURE: 822600 0 0 0 0 0 0 0 0 0 GPRESSURE: 822600 0 0 0 0 0 0 0 0 0 PRESSAVG: 822600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 822600 0 0 0 0 0 0 0 0 0 TIMING: 822600 CPU: 3252.92, 0.0039474/step Wall: 3252.92, 0.0039474/step, 1.83927 hours remaining, 113.089844 MB of memory in use. ENERGY: 822600 660.4300 1884.1374 1981.5874 102.1817 0.9197 -1078.3854 0.0000 0.0000 2750.8580 6301.7288 303.8399 3550.8708 6335.3442 299.4542 PRESSURE: 822800 0 0 0 0 0 0 0 0 0 GPRESSURE: 822800 0 0 0 0 0 0 0 0 0 PRESSAVG: 822800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 822800 0 0 0 0 0 0 0 0 0 TIMING: 822800 CPU: 3253.71, 0.00395056/step Wall: 3253.71, 0.00395056/step, 1.84052 hours remaining, 113.089844 MB of memory in use. ENERGY: 822800 650.3423 1854.2795 1993.6188 109.8050 0.5306 -1045.1549 0.0000 0.0000 2751.5080 6314.9295 303.9117 3563.4214 6347.1443 301.9557 PRESSURE: 823000 0 0 0 0 0 0 0 0 0 GPRESSURE: 823000 0 0 0 0 0 0 0 0 0 PRESSAVG: 823000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 823000 0 0 0 0 0 0 0 0 0 TIMING: 823000 CPU: 3254.5, 0.00395051/step Wall: 3254.5, 0.00395051/step, 1.84028 hours remaining, 113.089844 MB of memory in use. ENERGY: 823000 677.1334 1873.6861 1988.2070 96.6190 0.8343 -1024.2810 0.0000 0.0000 2783.8696 6396.0685 307.4862 3612.1989 6431.0425 303.3812 PRESSURE: 823200 0 0 0 0 0 0 0 0 0 GPRESSURE: 823200 0 0 0 0 0 0 0 0 0 PRESSAVG: 823200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 823200 0 0 0 0 0 0 0 0 0 TIMING: 823200 CPU: 3255.29, 0.00394943/step Wall: 3255.29, 0.00394943/step, 1.83956 hours remaining, 113.089844 MB of memory in use. ENERGY: 823200 655.5273 1872.1345 1998.6161 112.8133 0.4154 -1025.7816 0.0000 0.0000 2824.1476 6437.8725 311.9350 3613.7249 6474.1655 308.9983 PRESSURE: 823400 0 0 0 0 0 0 0 0 0 GPRESSURE: 823400 0 0 0 0 0 0 0 0 0 PRESSAVG: 823400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 823400 0 0 0 0 0 0 0 0 0 TIMING: 823400 CPU: 3256.08, 0.00394956/step Wall: 3256.08, 0.00394956/step, 1.8394 hours remaining, 113.089844 MB of memory in use. ENERGY: 823400 655.5761 1887.1118 2015.4924 105.8473 0.9992 -1039.8419 0.0000 0.0000 2784.1338 6409.3186 307.5153 3625.1848 6444.0039 308.7316 PRESSURE: 823600 0 0 0 0 0 0 0 0 0 GPRESSURE: 823600 0 0 0 0 0 0 0 0 0 PRESSAVG: 823600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 823600 0 0 0 0 0 0 0 0 0 TIMING: 823600 CPU: 3256.87, 0.00394653/step Wall: 3256.87, 0.00394653/step, 1.83777 hours remaining, 113.089844 MB of memory in use. ENERGY: 823600 674.8483 1772.9942 1974.9469 114.2322 1.1689 -1024.6644 0.0000 0.0000 2801.0736 6314.5997 309.3864 3513.5261 6348.5453 305.3034 PRESSURE: 823800 0 0 0 0 0 0 0 0 0 GPRESSURE: 823800 0 0 0 0 0 0 0 0 0 PRESSAVG: 823800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 823800 0 0 0 0 0 0 0 0 0 TIMING: 823800 CPU: 3257.66, 0.00395008/step Wall: 3257.66, 0.00395008/step, 1.8392 hours remaining, 113.089844 MB of memory in use. ENERGY: 823800 663.8271 1806.6459 2028.3976 111.6626 2.2055 -1044.9219 0.0000 0.0000 2757.0050 6324.8217 304.5189 3567.8167 6358.9035 302.6241 PRESSURE: 824000 0 0 0 0 0 0 0 0 0 GPRESSURE: 824000 0 0 0 0 0 0 0 0 0 PRESSAVG: 824000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 824000 0 0 0 0 0 0 0 0 0 TIMING: 824000 CPU: 3258.45, 0.0039644/step Wall: 3258.45, 0.0039644/step, 1.84565 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 824000 672.6808 1843.4847 1999.5738 102.0276 1.3068 -1068.2454 0.0000 0.0000 2792.5078 6343.3362 308.4403 3550.8284 6375.0670 302.7511 PRESSURE: 824200 0 0 0 0 0 0 0 0 0 GPRESSURE: 824200 0 0 0 0 0 0 0 0 0 PRESSAVG: 824200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 824200 0 0 0 0 0 0 0 0 0 TIMING: 824200 CPU: 3259.24, 0.0039484/step Wall: 3259.24, 0.0039484/step, 1.83798 hours remaining, 113.089844 MB of memory in use. ENERGY: 824200 684.1676 1817.3556 2008.0938 119.5293 0.8787 -1071.4837 0.0000 0.0000 2763.3898 6321.9311 305.2241 3558.5412 6359.0422 303.2858 LDB: ============= START OF LOAD BALANCING ============== 3262.2 LDB: ============== END OF LOAD BALANCING =============== 3262.2 LDB: =============== DONE WITH MIGRATION ================ 3262.2 LDB: ============= START OF LOAD BALANCING ============== 3262.59 LDB: ============== END OF LOAD BALANCING =============== 3262.59 LDB: =============== DONE WITH MIGRATION ================ 3262.59 PRESSURE: 824400 0 0 0 0 0 0 0 0 0 GPRESSURE: 824400 0 0 0 0 0 0 0 0 0 PRESSAVG: 824400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 824400 0 0 0 0 0 0 0 0 0 TIMING: 824400 CPU: 3260.03, 0.0039541/step Wall: 3260.03, 0.0039541/step, 1.84041 hours remaining, 113.089844 MB of memory in use. ENERGY: 824400 666.6665 1835.6383 2006.1618 101.3813 1.5580 -1060.3762 0.0000 0.0000 2762.4563 6313.4862 305.1210 3551.0299 6348.4766 302.3985 PRESSURE: 824600 0 0 0 0 0 0 0 0 0 GPRESSURE: 824600 0 0 0 0 0 0 0 0 0 PRESSAVG: 824600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 824600 0 0 0 0 0 0 0 0 0 TIMING: 824600 CPU: 3260.82, 0.00394849/step Wall: 3260.82, 0.00394849/step, 1.83758 hours remaining, 113.089844 MB of memory in use. ENERGY: 824600 640.3159 1844.4781 1980.8747 107.0093 2.7072 -1048.5685 0.0000 0.0000 2794.4892 6321.3058 308.6591 3526.8166 6353.5712 301.9011 PRESSURE: 824800 0 0 0 0 0 0 0 0 0 GPRESSURE: 824800 0 0 0 0 0 0 0 0 0 PRESSAVG: 824800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 824800 0 0 0 0 0 0 0 0 0 TIMING: 824800 CPU: 3261.61, 0.00394915/step Wall: 3261.61, 0.00394915/step, 1.83767 hours remaining, 113.089844 MB of memory in use. ENERGY: 824800 663.4719 1878.2982 1978.5315 119.2676 2.4079 -1058.1134 0.0000 0.0000 2714.3770 6298.2407 299.8105 3583.8637 6332.6389 302.6408 PRESSURE: 825000 0 0 0 0 0 0 0 0 0 GPRESSURE: 825000 0 0 0 0 0 0 0 0 0 PRESSAVG: 825000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 825000 0 0 0 0 0 0 0 0 0 TIMING: 825000 CPU: 3262.4, 0.00394843/step Wall: 3262.4, 0.00394843/step, 1.83712 hours remaining, 113.089844 MB of memory in use. ENERGY: 825000 628.1131 1853.4103 1999.6473 105.9831 0.4025 -1064.2024 0.0000 0.0000 2764.8418 6288.1957 305.3845 3523.3539 6322.7915 300.0746 PRESSURE: 825200 0 0 0 0 0 0 0 0 0 GPRESSURE: 825200 0 0 0 0 0 0 0 0 0 PRESSAVG: 825200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 825200 0 0 0 0 0 0 0 0 0 TIMING: 825200 CPU: 3263.19, 0.00394909/step Wall: 3263.19, 0.00394909/step, 1.8372 hours remaining, 113.089844 MB of memory in use. ENERGY: 825200 670.3227 1869.7959 1985.9351 105.5482 1.6972 -1031.6061 0.0000 0.0000 2741.0656 6342.7584 302.7583 3601.6929 6375.3602 301.3788 PRESSURE: 825400 0 0 0 0 0 0 0 0 0 GPRESSURE: 825400 0 0 0 0 0 0 0 0 0 PRESSAVG: 825400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 825400 0 0 0 0 0 0 0 0 0 TIMING: 825400 CPU: 3263.98, 0.00394595/step Wall: 3263.98, 0.00394595/step, 1.83552 hours remaining, 113.089844 MB of memory in use. ENERGY: 825400 688.5533 1893.9862 1981.1227 100.6465 2.9541 -1034.5525 0.0000 0.0000 2722.3195 6355.0298 300.6878 3632.7103 6387.3085 301.9037 PRESSURE: 825600 0 0 0 0 0 0 0 0 0 GPRESSURE: 825600 0 0 0 0 0 0 0 0 0 PRESSAVG: 825600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 825600 0 0 0 0 0 0 0 0 0 TIMING: 825600 CPU: 3264.77, 0.00394902/step Wall: 3264.77, 0.00394902/step, 1.83673 hours remaining, 113.089844 MB of memory in use. ENERGY: 825600 667.1102 1816.0598 2022.4300 109.5202 2.0575 -1062.3664 0.0000 0.0000 2755.1905 6310.0016 304.3185 3554.8112 6345.1554 302.9004 PRESSURE: 825800 0 0 0 0 0 0 0 0 0 GPRESSURE: 825800 0 0 0 0 0 0 0 0 0 PRESSAVG: 825800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 825800 0 0 0 0 0 0 0 0 0 TIMING: 825800 CPU: 3265.56, 0.0039485/step Wall: 3265.56, 0.0039485/step, 1.83627 hours remaining, 113.089844 MB of memory in use. ENERGY: 825800 681.0818 1829.2708 1999.3693 114.3357 0.7118 -1062.8445 0.0000 0.0000 2736.7325 6298.6573 302.2797 3561.9248 6331.2664 301.7718 PRESSURE: 826000 0 0 0 0 0 0 0 0 0 GPRESSURE: 826000 0 0 0 0 0 0 0 0 0 PRESSAVG: 826000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 826000 0 0 0 0 0 0 0 0 0 TIMING: 826000 CPU: 3266.35, 0.00394811/step Wall: 3266.35, 0.00394811/step, 1.83587 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 826000 662.1371 1813.0851 2005.8422 109.9859 0.9216 -1056.1037 0.0000 0.0000 2738.1345 6274.0028 302.4346 3535.8683 6308.6493 302.1696 PRESSURE: 826200 0 0 0 0 0 0 0 0 0 GPRESSURE: 826200 0 0 0 0 0 0 0 0 0 PRESSAVG: 826200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 826200 0 0 0 0 0 0 0 0 0 TIMING: 826200 CPU: 3267.14, 0.00394876/step Wall: 3267.14, 0.00394876/step, 1.83595 hours remaining, 113.089844 MB of memory in use. ENERGY: 826200 650.0853 1831.3655 1980.8323 113.1144 1.8537 -1042.9996 0.0000 0.0000 2729.3782 6263.6298 301.4674 3534.2516 6296.1422 300.0637 PRESSURE: 826400 0 0 0 0 0 0 0 0 0 GPRESSURE: 826400 0 0 0 0 0 0 0 0 0 PRESSAVG: 826400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 826400 0 0 0 0 0 0 0 0 0 TIMING: 826400 CPU: 3267.93, 0.00394757/step Wall: 3267.93, 0.00394757/step, 1.83518 hours remaining, 113.089844 MB of memory in use. ENERGY: 826400 622.1308 1837.6199 1998.6981 103.5964 1.3161 -1026.9105 0.0000 0.0000 2683.7412 6220.1921 296.4267 3536.4509 6253.5935 298.1692 PRESSURE: 826600 0 0 0 0 0 0 0 0 0 GPRESSURE: 826600 0 0 0 0 0 0 0 0 0 PRESSAVG: 826600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 826600 0 0 0 0 0 0 0 0 0 TIMING: 826600 CPU: 3268.72, 0.00394796/step Wall: 3268.72, 0.00394796/step, 1.83514 hours remaining, 113.089844 MB of memory in use. ENERGY: 826600 633.7245 1877.0909 1979.0420 99.1302 0.5342 -1042.5682 0.0000 0.0000 2640.8842 6187.8378 291.6930 3546.9537 6219.1825 297.6524 PRESSURE: 826800 0 0 0 0 0 0 0 0 0 GPRESSURE: 826800 0 0 0 0 0 0 0 0 0 PRESSAVG: 826800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 826800 0 0 0 0 0 0 0 0 0 TIMING: 826800 CPU: 3269.51, 0.00394804/step Wall: 3269.51, 0.00394804/step, 1.83496 hours remaining, 113.089844 MB of memory in use. ENERGY: 826800 662.5004 1826.7018 1974.0242 103.2068 2.5771 -1046.7931 0.0000 0.0000 2634.4187 6156.6358 290.9789 3522.2171 6187.9234 295.5948 PRESSURE: 827000 0 0 0 0 0 0 0 0 0 GPRESSURE: 827000 0 0 0 0 0 0 0 0 0 PRESSAVG: 827000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 827000 0 0 0 0 0 0 0 0 0 TIMING: 827000 CPU: 3270.3, 0.0039486/step Wall: 3270.3, 0.0039486/step, 1.835 hours remaining, 113.089844 MB of memory in use. ENERGY: 827000 663.2264 1810.8841 2005.4124 102.5637 3.0027 -1046.4904 0.0000 0.0000 2583.1689 6121.7678 285.3182 3538.5989 6149.8650 291.3735 PRESSURE: 827200 0 0 0 0 0 0 0 0 0 GPRESSURE: 827200 0 0 0 0 0 0 0 0 0 PRESSAVG: 827200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 827200 0 0 0 0 0 0 0 0 0 TIMING: 827200 CPU: 3271.09, 0.0039491/step Wall: 3271.09, 0.0039491/step, 1.83501 hours remaining, 113.089844 MB of memory in use. ENERGY: 827200 655.4923 1834.9124 1976.5981 89.9904 2.0230 -1084.4488 0.0000 0.0000 2637.7695 6112.3369 291.3490 3474.5674 6140.6344 292.0614 PRESSURE: 827400 0 0 0 0 0 0 0 0 0 GPRESSURE: 827400 0 0 0 0 0 0 0 0 0 PRESSAVG: 827400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 827400 0 0 0 0 0 0 0 0 0 TIMING: 827400 CPU: 3271.88, 0.00394868/step Wall: 3271.88, 0.00394868/step, 1.8346 hours remaining, 113.089844 MB of memory in use. ENERGY: 827400 649.5170 1833.4610 1980.5446 109.9651 1.3024 -1091.2205 0.0000 0.0000 2637.1596 6120.7292 291.2816 3483.5696 6155.7846 293.9682 PRESSURE: 827600 0 0 0 0 0 0 0 0 0 GPRESSURE: 827600 0 0 0 0 0 0 0 0 0 PRESSAVG: 827600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 827600 0 0 0 0 0 0 0 0 0 TIMING: 827600 CPU: 3272.67, 0.00395063/step Wall: 3272.67, 0.00395063/step, 1.83529 hours remaining, 113.089844 MB of memory in use. ENERGY: 827600 633.5018 1830.7711 1978.4390 112.5472 1.9073 -1078.4002 0.0000 0.0000 2701.1594 6179.9257 298.3506 3478.7663 6212.0343 295.1551 PRESSURE: 827800 0 0 0 0 0 0 0 0 0 GPRESSURE: 827800 0 0 0 0 0 0 0 0 0 PRESSAVG: 827800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 827800 0 0 0 0 0 0 0 0 0 TIMING: 827800 CPU: 3273.46, 0.00395202/step Wall: 3273.46, 0.00395202/step, 1.83571 hours remaining, 113.089844 MB of memory in use. ENERGY: 827800 619.3632 1880.9172 1983.7835 107.7702 2.1226 -1020.5174 0.0000 0.0000 2583.6928 6157.1320 285.3761 3573.4392 6187.4727 294.5408 PRESSURE: 828000 0 0 0 0 0 0 0 0 0 GPRESSURE: 828000 0 0 0 0 0 0 0 0 0 PRESSAVG: 828000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 828000 0 0 0 0 0 0 0 0 0 TIMING: 828000 CPU: 3274.25, 0.0039509/step Wall: 3274.25, 0.00395089/step, 1.83497 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 828000 657.8684 1767.9562 2002.7528 124.2800 2.6624 -1080.3458 0.0000 0.0000 2691.6681 6166.8421 297.3022 3475.1741 6200.9363 295.5804 PRESSURE: 828200 0 0 0 0 0 0 0 0 0 GPRESSURE: 828200 0 0 0 0 0 0 0 0 0 PRESSAVG: 828200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 828200 0 0 0 0 0 0 0 0 0 TIMING: 828200 CPU: 3275.04, 0.00394865/step Wall: 3275.04, 0.00394866/step, 1.83371 hours remaining, 113.089844 MB of memory in use. ENERGY: 828200 615.7746 1830.5166 1997.5098 92.3001 2.4803 -1075.6692 0.0000 0.0000 2637.1563 6100.0685 291.2813 3462.9122 6132.3898 294.0995 LDB: ============= START OF LOAD BALANCING ============== 3278 LDB: ============== END OF LOAD BALANCING =============== 3278 LDB: =============== DONE WITH MIGRATION ================ 3278 LDB: ============= START OF LOAD BALANCING ============== 3278.39 LDB: ============== END OF LOAD BALANCING =============== 3278.39 LDB: =============== DONE WITH MIGRATION ================ 3278.39 PRESSURE: 828400 0 0 0 0 0 0 0 0 0 GPRESSURE: 828400 0 0 0 0 0 0 0 0 0 PRESSAVG: 828400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 828400 0 0 0 0 0 0 0 0 0 TIMING: 828400 CPU: 3275.83, 0.00395768/step Wall: 3275.83, 0.00395768/step, 1.83768 hours remaining, 113.089844 MB of memory in use. ENERGY: 828400 640.9923 1819.0725 1999.7947 111.3766 2.2471 -1096.2411 0.0000 0.0000 2646.9701 6124.2122 292.3652 3477.2421 6157.9536 293.2570 PRESSURE: 828600 0 0 0 0 0 0 0 0 0 GPRESSURE: 828600 0 0 0 0 0 0 0 0 0 PRESSAVG: 828600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 828600 0 0 0 0 0 0 0 0 0 TIMING: 828600 CPU: 3276.62, 0.003953/step Wall: 3276.62, 0.003953/step, 1.83529 hours remaining, 113.089844 MB of memory in use. ENERGY: 828600 663.1892 1822.6336 1998.6558 103.2200 0.9495 -1070.1930 0.0000 0.0000 2671.5398 6189.9948 295.0790 3518.4551 6222.0643 293.9940 PRESSURE: 828800 0 0 0 0 0 0 0 0 0 GPRESSURE: 828800 0 0 0 0 0 0 0 0 0 PRESSAVG: 828800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 828800 0 0 0 0 0 0 0 0 0 TIMING: 828800 CPU: 3277.41, 0.00395196/step Wall: 3277.41, 0.00395196/step, 1.83459 hours remaining, 113.089844 MB of memory in use. ENERGY: 828800 618.5814 1821.2526 1988.8532 109.3625 0.9692 -1047.4660 0.0000 0.0000 2698.6206 6190.1734 298.0702 3491.5528 6221.7979 297.0067 PRESSURE: 829000 0 0 0 0 0 0 0 0 0 GPRESSURE: 829000 0 0 0 0 0 0 0 0 0 PRESSAVG: 829000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 829000 0 0 0 0 0 0 0 0 0 TIMING: 829000 CPU: 3278.2, 0.0039519/step Wall: 3278.2, 0.0039519/step, 1.83434 hours remaining, 113.089844 MB of memory in use. ENERGY: 829000 653.3004 1832.1410 1997.8981 104.8429 2.3219 -1034.2136 0.0000 0.0000 2656.3213 6212.6121 293.3981 3556.2908 6242.9208 296.6547 PRESSURE: 829200 0 0 0 0 0 0 0 0 0 GPRESSURE: 829200 0 0 0 0 0 0 0 0 0 PRESSAVG: 829200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 829200 0 0 0 0 0 0 0 0 0 TIMING: 829200 CPU: 3278.99, 0.00394912/step Wall: 3278.99, 0.00394912/step, 1.83283 hours remaining, 113.089844 MB of memory in use. ENERGY: 829200 648.9964 1784.6351 1975.2177 106.5088 1.2941 -1017.0202 0.0000 0.0000 2669.5587 6169.1905 294.8602 3499.6319 6202.4195 297.3833 PRESSURE: 829400 0 0 0 0 0 0 0 0 0 GPRESSURE: 829400 0 0 0 0 0 0 0 0 0 PRESSAVG: 829400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 829400 0 0 0 0 0 0 0 0 0 TIMING: 829400 CPU: 3279.78, 0.00395244/step Wall: 3279.78, 0.00395244/step, 1.83415 hours remaining, 113.089844 MB of memory in use. ENERGY: 829400 638.3256 1802.2716 1996.7202 118.8226 0.6067 -1036.6041 0.0000 0.0000 2688.6350 6208.7776 296.9672 3520.1426 6241.8406 294.6676 PRESSURE: 829600 0 0 0 0 0 0 0 0 0 GPRESSURE: 829600 0 0 0 0 0 0 0 0 0 PRESSAVG: 829600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 829600 0 0 0 0 0 0 0 0 0 TIMING: 829600 CPU: 3280.57, 0.00395233/step Wall: 3280.57, 0.00395233/step, 1.83388 hours remaining, 113.089844 MB of memory in use. ENERGY: 829600 636.3479 1803.1531 1975.0523 98.1124 3.0598 -1026.0346 0.0000 0.0000 2715.9144 6205.6053 299.9803 3489.6909 6238.1507 296.5331 PRESSURE: 829800 0 0 0 0 0 0 0 0 0 GPRESSURE: 829800 0 0 0 0 0 0 0 0 0 PRESSAVG: 829800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 829800 0 0 0 0 0 0 0 0 0 TIMING: 829800 CPU: 3281.36, 0.00395319/step Wall: 3281.36, 0.00395319/step, 1.83406 hours remaining, 113.089844 MB of memory in use. ENERGY: 829800 657.4042 1851.1749 1971.6023 118.9754 0.0526 -1080.2622 0.0000 0.0000 2655.9599 6174.9070 293.3582 3518.9471 6204.5207 297.5221 PRESSURE: 830000 0 0 0 0 0 0 0 0 0 GPRESSURE: 830000 0 0 0 0 0 0 0 0 0 PRESSAVG: 830000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 830000 0 0 0 0 0 0 0 0 0 TIMING: 830000 CPU: 3282.15, 0.00396892/step Wall: 3282.15, 0.00396892/step, 1.84114 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 830000 662.6986 1797.7382 1983.4625 101.1450 0.6703 -1093.9531 0.0000 0.0000 2693.8147 6145.5763 297.5393 3451.7616 6179.3984 295.9807 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 830000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 830000 WRITING COORDINATES TO RESTART FILE AT STEP 830000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 830000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 830200 0 0 0 0 0 0 0 0 0 GPRESSURE: 830200 0 0 0 0 0 0 0 0 0 PRESSAVG: 830200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 830200 0 0 0 0 0 0 0 0 0 TIMING: 830200 CPU: 3283.03, 0.00439949/step Wall: 3283.03, 0.00439949/step, 2.04063 hours remaining, 113.089844 MB of memory in use. ENERGY: 830200 684.7219 1826.5630 1986.6728 98.3585 1.4752 -1069.9150 0.0000 0.0000 2691.3241 6219.2006 297.2642 3527.8764 6254.6443 295.6242 PRESSURE: 830400 0 0 0 0 0 0 0 0 0 GPRESSURE: 830400 0 0 0 0 0 0 0 0 0 PRESSAVG: 830400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 830400 0 0 0 0 0 0 0 0 0 TIMING: 830400 CPU: 3283.82, 0.00395604/step Wall: 3283.82, 0.00395604/step, 1.83473 hours remaining, 113.089844 MB of memory in use. ENERGY: 830400 696.7319 1828.3090 1964.3447 103.1364 0.9784 -1088.1544 0.0000 0.0000 2720.8069 6226.1528 300.5207 3505.3459 6258.8707 298.8542 PRESSURE: 830600 0 0 0 0 0 0 0 0 0 GPRESSURE: 830600 0 0 0 0 0 0 0 0 0 PRESSAVG: 830600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 830600 0 0 0 0 0 0 0 0 0 TIMING: 830600 CPU: 3284.62, 0.00395265/step Wall: 3284.62, 0.00395265/step, 1.83293 hours remaining, 113.089844 MB of memory in use. ENERGY: 830600 695.0226 1844.9150 1981.6233 107.9659 0.4743 -1105.7684 0.0000 0.0000 2650.1001 6174.3328 292.7109 3524.2327 6206.1163 296.5262 PRESSURE: 830800 0 0 0 0 0 0 0 0 0 GPRESSURE: 830800 0 0 0 0 0 0 0 0 0 PRESSAVG: 830800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 830800 0 0 0 0 0 0 0 0 0 TIMING: 830800 CPU: 3285.41, 0.0039538/step Wall: 3285.41, 0.0039538/step, 1.83325 hours remaining, 113.089844 MB of memory in use. ENERGY: 830800 616.3780 1818.1739 2013.9177 114.6911 -0.8326 -1057.5825 0.0000 0.0000 2741.9926 6246.7382 302.8607 3504.7457 6281.4496 298.0084 PRESSURE: 831000 0 0 0 0 0 0 0 0 0 GPRESSURE: 831000 0 0 0 0 0 0 0 0 0 PRESSAVG: 831000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 831000 0 0 0 0 0 0 0 0 0 TIMING: 831000 CPU: 3286.2, 0.00395453/step Wall: 3286.2, 0.00395453/step, 1.83336 hours remaining, 113.089844 MB of memory in use. ENERGY: 831000 644.4365 1844.9719 1958.9291 99.0418 1.2610 -1074.1264 0.0000 0.0000 2754.6626 6229.1765 304.2602 3474.5139 6263.1176 299.4670 PRESSURE: 831200 0 0 0 0 0 0 0 0 0 GPRESSURE: 831200 0 0 0 0 0 0 0 0 0 PRESSAVG: 831200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 831200 0 0 0 0 0 0 0 0 0 TIMING: 831200 CPU: 3286.99, 0.00394917/step Wall: 3286.99, 0.00394917/step, 1.83066 hours remaining, 113.089844 MB of memory in use. ENERGY: 831200 664.3990 1846.1056 1954.1463 101.9976 0.0939 -1087.4807 0.0000 0.0000 2696.4656 6175.7274 297.8321 3479.2618 6209.3507 297.1767 PRESSURE: 831400 0 0 0 0 0 0 0 0 0 GPRESSURE: 831400 0 0 0 0 0 0 0 0 0 PRESSAVG: 831400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 831400 0 0 0 0 0 0 0 0 0 TIMING: 831400 CPU: 3287.78, 0.00395365/step Wall: 3287.78, 0.00395365/step, 1.83251 hours remaining, 113.089844 MB of memory in use. ENERGY: 831400 633.6840 1835.7012 2000.3792 106.5490 1.6752 -1049.8905 0.0000 0.0000 2665.0708 6193.1689 294.3645 3528.0981 6225.8015 295.5517 PRESSURE: 831600 0 0 0 0 0 0 0 0 0 GPRESSURE: 831600 0 0 0 0 0 0 0 0 0 PRESSAVG: 831600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 831600 0 0 0 0 0 0 0 0 0 TIMING: 831600 CPU: 3288.57, 0.00395295/step Wall: 3288.57, 0.00395295/step, 1.83197 hours remaining, 113.089844 MB of memory in use. ENERGY: 831600 652.4470 1861.8445 1957.7457 117.2008 0.8357 -1063.1629 0.0000 0.0000 2684.2073 6211.1180 296.4782 3526.9107 6243.3159 296.7904 PRESSURE: 831800 0 0 0 0 0 0 0 0 0 GPRESSURE: 831800 0 0 0 0 0 0 0 0 0 PRESSAVG: 831800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 831800 0 0 0 0 0 0 0 0 0 TIMING: 831800 CPU: 3289.36, 0.0039518/step Wall: 3289.36, 0.0039518/step, 1.83122 hours remaining, 113.089844 MB of memory in use. ENERGY: 831800 654.1083 1838.0957 1977.1923 102.8008 2.1091 -1077.7179 0.0000 0.0000 2676.0541 6172.6424 295.5776 3496.5884 6206.1793 297.4468 PRESSURE: 832000 0 0 0 0 0 0 0 0 0 GPRESSURE: 832000 0 0 0 0 0 0 0 0 0 PRESSAVG: 832000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 832000 0 0 0 0 0 0 0 0 0 TIMING: 832000 CPU: 3290.15, 0.00395045/step Wall: 3290.15, 0.00395045/step, 1.83038 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 832000 649.3648 1888.5075 1994.7624 116.8179 1.8308 -1105.4802 0.0000 0.0000 2646.2140 6192.0172 292.2817 3545.8032 6222.2891 297.9343 PRESSURE: 832200 0 0 0 0 0 0 0 0 0 GPRESSURE: 832200 0 0 0 0 0 0 0 0 0 PRESSAVG: 832200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 832200 0 0 0 0 0 0 0 0 0 TIMING: 832200 CPU: 3290.94, 0.00394755/step Wall: 3290.94, 0.00394755/step, 1.82881 hours remaining, 113.089844 MB of memory in use. ENERGY: 832200 628.4717 1809.2716 1969.4250 98.3519 0.9819 -1038.4918 0.0000 0.0000 2696.1202 6164.1304 297.7940 3468.0102 6196.9653 296.4797 LDB: ============= START OF LOAD BALANCING ============== 3293.9 LDB: ============== END OF LOAD BALANCING =============== 3293.9 LDB: =============== DONE WITH MIGRATION ================ 3293.9 LDB: ============= START OF LOAD BALANCING ============== 3294.29 LDB: ============== END OF LOAD BALANCING =============== 3294.29 LDB: =============== DONE WITH MIGRATION ================ 3294.29 PRESSURE: 832400 0 0 0 0 0 0 0 0 0 GPRESSURE: 832400 0 0 0 0 0 0 0 0 0 PRESSAVG: 832400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 832400 0 0 0 0 0 0 0 0 0 TIMING: 832400 CPU: 3291.73, 0.00395651/step Wall: 3291.73, 0.00395651/step, 1.83275 hours remaining, 113.089844 MB of memory in use. ENERGY: 832400 653.8087 1789.9466 1988.4291 101.7427 1.6551 -1097.0519 0.0000 0.0000 2702.8831 6141.4133 298.5410 3438.5302 6174.8724 293.9323 PRESSURE: 832600 0 0 0 0 0 0 0 0 0 GPRESSURE: 832600 0 0 0 0 0 0 0 0 0 PRESSAVG: 832600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 832600 0 0 0 0 0 0 0 0 0 TIMING: 832600 CPU: 3292.52, 0.00395251/step Wall: 3292.52, 0.00395251/step, 1.83067 hours remaining, 113.089844 MB of memory in use. ENERGY: 832600 618.7557 1837.0915 1972.1979 103.0766 1.9834 -1047.5328 0.0000 0.0000 2647.0650 6132.6373 292.3757 3485.5722 6164.4521 294.1744 PRESSURE: 832800 0 0 0 0 0 0 0 0 0 GPRESSURE: 832800 0 0 0 0 0 0 0 0 0 PRESSAVG: 832800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 832800 0 0 0 0 0 0 0 0 0 TIMING: 832800 CPU: 3293.31, 0.00395296/step Wall: 3293.31, 0.00395296/step, 1.83066 hours remaining, 113.089844 MB of memory in use. ENERGY: 832800 663.9341 1800.6761 1982.1169 109.1544 0.5353 -1085.2570 0.0000 0.0000 2647.8056 6118.9654 292.4575 3471.1598 6150.1243 292.2068 PRESSURE: 833000 0 0 0 0 0 0 0 0 0 GPRESSURE: 833000 0 0 0 0 0 0 0 0 0 PRESSAVG: 833000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 833000 0 0 0 0 0 0 0 0 0 TIMING: 833000 CPU: 3294.1, 0.00394789/step Wall: 3294.1, 0.00394789/step, 1.82809 hours remaining, 113.089844 MB of memory in use. ENERGY: 833000 664.0473 1849.5080 1983.6894 101.7636 0.7049 -1072.1736 0.0000 0.0000 2634.5017 6162.0413 290.9881 3527.5396 6194.1830 294.0856 PRESSURE: 833200 0 0 0 0 0 0 0 0 0 GPRESSURE: 833200 0 0 0 0 0 0 0 0 0 PRESSAVG: 833200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 833200 0 0 0 0 0 0 0 0 0 TIMING: 833200 CPU: 3294.89, 0.00395227/step Wall: 3294.89, 0.00395227/step, 1.8299 hours remaining, 113.089844 MB of memory in use. ENERGY: 833200 641.2936 1833.3276 1978.5042 110.8357 0.9352 -1054.4334 0.0000 0.0000 2676.0804 6186.5432 295.5805 3510.4629 6219.0803 297.7696 PRESSURE: 833400 0 0 0 0 0 0 0 0 0 GPRESSURE: 833400 0 0 0 0 0 0 0 0 0 PRESSAVG: 833400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 833400 0 0 0 0 0 0 0 0 0 TIMING: 833400 CPU: 3295.68, 0.00395341/step Wall: 3295.68, 0.00395341/step, 1.83021 hours remaining, 113.089844 MB of memory in use. ENERGY: 833400 651.3665 1826.0479 1983.5193 104.6771 1.0564 -1058.9739 0.0000 0.0000 2702.0070 6209.7004 298.4442 3507.6934 6243.9121 298.6153 PRESSURE: 833600 0 0 0 0 0 0 0 0 0 GPRESSURE: 833600 0 0 0 0 0 0 0 0 0 PRESSAVG: 833600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 833600 0 0 0 0 0 0 0 0 0 TIMING: 833600 CPU: 3296.47, 0.00395354/step Wall: 3296.47, 0.00395354/step, 1.83005 hours remaining, 113.089844 MB of memory in use. ENERGY: 833600 627.9425 1850.1572 1990.7442 110.3809 1.4429 -1056.1838 0.0000 0.0000 2656.4913 6180.9751 293.4169 3524.4839 6214.2786 298.0785 PRESSURE: 833800 0 0 0 0 0 0 0 0 0 GPRESSURE: 833800 0 0 0 0 0 0 0 0 0 PRESSAVG: 833800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 833800 0 0 0 0 0 0 0 0 0 TIMING: 833800 CPU: 3297.26, 0.00395392/step Wall: 3297.26, 0.00395392/step, 1.83001 hours remaining, 113.089844 MB of memory in use. ENERGY: 833800 668.8220 1849.8173 1995.9209 109.5153 2.0890 -1069.6954 0.0000 0.0000 2668.7475 6225.2165 294.7706 3556.4690 6256.8875 296.4605 PRESSURE: 834000 0 0 0 0 0 0 0 0 0 GPRESSURE: 834000 0 0 0 0 0 0 0 0 0 PRESSAVG: 834000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 834000 0 0 0 0 0 0 0 0 0 TIMING: 834000 CPU: 3298.05, 0.0039485/step Wall: 3298.05, 0.0039485/step, 1.82728 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 834000 625.3932 1811.1906 1997.9215 108.6777 1.7392 -1068.5757 0.0000 0.0000 2715.9797 6192.3261 299.9875 3476.3464 6226.7492 297.4111 PRESSURE: 834200 0 0 0 0 0 0 0 0 0 GPRESSURE: 834200 0 0 0 0 0 0 0 0 0 PRESSAVG: 834200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 834200 0 0 0 0 0 0 0 0 0 TIMING: 834200 CPU: 3298.84, 0.00396021/step Wall: 3298.84, 0.00396021/step, 1.83248 hours remaining, 113.089844 MB of memory in use. ENERGY: 834200 641.4728 1840.5242 1980.5708 112.7045 1.4854 -1049.6895 0.0000 0.0000 2706.6359 6233.7040 298.9555 3527.0681 6264.7159 297.6887 PRESSURE: 834400 0 0 0 0 0 0 0 0 0 GPRESSURE: 834400 0 0 0 0 0 0 0 0 0 PRESSAVG: 834400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 834400 0 0 0 0 0 0 0 0 0 TIMING: 834400 CPU: 3299.63, 0.00395198/step Wall: 3299.63, 0.00395198/step, 1.82845 hours remaining, 113.089844 MB of memory in use. ENERGY: 834400 660.0360 1839.8430 1980.1941 112.9022 0.7897 -1038.5391 0.0000 0.0000 2735.0751 6290.3011 302.0967 3555.2259 6326.3368 298.6650 PRESSURE: 834600 0 0 0 0 0 0 0 0 0 GPRESSURE: 834600 0 0 0 0 0 0 0 0 0 PRESSAVG: 834600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 834600 0 0 0 0 0 0 0 0 0 TIMING: 834600 CPU: 3300.42, 0.00395059/step Wall: 3300.42, 0.00395059/step, 1.82759 hours remaining, 113.089844 MB of memory in use. ENERGY: 834600 648.6757 1833.1420 1961.6193 118.8867 0.9112 -1027.8834 0.0000 0.0000 2710.4487 6245.8002 299.3766 3535.3515 6279.5562 300.2116 PRESSURE: 834800 0 0 0 0 0 0 0 0 0 GPRESSURE: 834800 0 0 0 0 0 0 0 0 0 PRESSAVG: 834800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 834800 0 0 0 0 0 0 0 0 0 TIMING: 834800 CPU: 3301.22, 0.00395333/step Wall: 3301.22, 0.00395333/step, 1.82863 hours remaining, 113.089844 MB of memory in use. ENERGY: 834800 664.4762 1829.6390 1991.0149 107.8119 0.7781 -1060.9890 0.0000 0.0000 2700.4237 6233.1549 298.2693 3532.7311 6267.1190 297.4338 PRESSURE: 835000 0 0 0 0 0 0 0 0 0 GPRESSURE: 835000 0 0 0 0 0 0 0 0 0 PRESSAVG: 835000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 835000 0 0 0 0 0 0 0 0 0 TIMING: 835000 CPU: 3302.01, 0.00394757/step Wall: 3302.01, 0.00394757/step, 1.82575 hours remaining, 113.089844 MB of memory in use. ENERGY: 835000 709.5713 1817.4664 1988.3738 102.6003 0.7068 -1081.9938 0.0000 0.0000 2749.6514 6286.3761 303.7067 3536.7246 6322.3419 300.1790 PRESSURE: 835200 0 0 0 0 0 0 0 0 0 GPRESSURE: 835200 0 0 0 0 0 0 0 0 0 PRESSAVG: 835200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 835200 0 0 0 0 0 0 0 0 0 TIMING: 835200 CPU: 3302.8, 0.00395097/step Wall: 3302.8, 0.00395097/step, 1.8271 hours remaining, 113.089844 MB of memory in use. ENERGY: 835200 671.5043 1820.4588 1987.6503 106.8497 1.6310 -1074.2397 0.0000 0.0000 2762.4883 6276.3426 305.1245 3513.8544 6310.6868 301.8717 PRESSURE: 835400 0 0 0 0 0 0 0 0 0 GPRESSURE: 835400 0 0 0 0 0 0 0 0 0 PRESSAVG: 835400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 835400 0 0 0 0 0 0 0 0 0 TIMING: 835400 CPU: 3303.59, 0.00395143/step Wall: 3303.59, 0.00395143/step, 1.8271 hours remaining, 113.089844 MB of memory in use. ENERGY: 835400 645.8108 1849.4775 1974.4701 89.1661 1.7799 -1062.9311 0.0000 0.0000 2694.0902 6191.8635 297.5698 3497.7733 6223.3369 299.0882 PRESSURE: 835600 0 0 0 0 0 0 0 0 0 GPRESSURE: 835600 0 0 0 0 0 0 0 0 0 PRESSAVG: 835600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 835600 0 0 0 0 0 0 0 0 0 TIMING: 835600 CPU: 3304.38, 0.00395261/step Wall: 3304.38, 0.00395261/step, 1.82742 hours remaining, 113.089844 MB of memory in use. ENERGY: 835600 678.4145 1830.6008 1978.4306 104.9430 3.1416 -1069.3511 0.0000 0.0000 2681.2817 6207.4611 296.1550 3526.1794 6239.5992 295.5312 PRESSURE: 835800 0 0 0 0 0 0 0 0 0 GPRESSURE: 835800 0 0 0 0 0 0 0 0 0 PRESSAVG: 835800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 835800 0 0 0 0 0 0 0 0 0 TIMING: 835800 CPU: 3305.17, 0.00395232/step Wall: 3305.17, 0.00395232/step, 1.82707 hours remaining, 113.089844 MB of memory in use. ENERGY: 835800 669.8738 1823.9974 1992.3817 110.3893 2.8649 -1037.3125 0.0000 0.0000 2626.5427 6188.7373 290.1090 3562.1946 6219.3795 296.4597 PRESSURE: 836000 0 0 0 0 0 0 0 0 0 GPRESSURE: 836000 0 0 0 0 0 0 0 0 0 PRESSAVG: 836000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 836000 0 0 0 0 0 0 0 0 0 TIMING: 836000 CPU: 3305.96, 0.00394914/step Wall: 3305.96, 0.00394914/step, 1.82538 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 836000 633.7203 1808.4322 2000.3825 98.9949 3.3646 -1024.9037 0.0000 0.0000 2658.6314 6178.6221 293.6532 3519.9907 6208.9606 294.0757 PRESSURE: 836200 0 0 0 0 0 0 0 0 0 GPRESSURE: 836200 0 0 0 0 0 0 0 0 0 PRESSAVG: 836200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 836200 0 0 0 0 0 0 0 0 0 TIMING: 836200 CPU: 3306.75, 0.00395286/step Wall: 3306.75, 0.00395286/step, 1.82688 hours remaining, 113.089844 MB of memory in use. ENERGY: 836200 631.1025 1800.5587 1972.2238 111.4750 2.3509 -1058.7542 0.0000 0.0000 2679.6019 6138.5586 295.9695 3458.9567 6170.2283 294.9934 LDB: ============= START OF LOAD BALANCING ============== 3309.71 LDB: ============== END OF LOAD BALANCING =============== 3309.71 LDB: =============== DONE WITH MIGRATION ================ 3309.71 LDB: ============= START OF LOAD BALANCING ============== 3310.1 LDB: ============== END OF LOAD BALANCING =============== 3310.1 LDB: =============== DONE WITH MIGRATION ================ 3310.1 PRESSURE: 836400 0 0 0 0 0 0 0 0 0 GPRESSURE: 836400 0 0 0 0 0 0 0 0 0 PRESSAVG: 836400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 836400 0 0 0 0 0 0 0 0 0 TIMING: 836400 CPU: 3307.54, 0.00395823/step Wall: 3307.54, 0.00395823/step, 1.82914 hours remaining, 113.089844 MB of memory in use. ENERGY: 836400 628.9926 1815.0163 1983.4937 114.5353 2.2038 -1033.2232 0.0000 0.0000 2626.3620 6137.3805 290.0890 3511.0185 6170.4048 292.7254 PRESSURE: 836600 0 0 0 0 0 0 0 0 0 GPRESSURE: 836600 0 0 0 0 0 0 0 0 0 PRESSAVG: 836600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 836600 0 0 0 0 0 0 0 0 0 TIMING: 836600 CPU: 3308.33, 0.00395339/step Wall: 3308.33, 0.00395339/step, 1.82669 hours remaining, 113.089844 MB of memory in use. ENERGY: 836600 658.9821 1786.3323 1978.8761 109.0856 1.1980 -1013.8376 0.0000 0.0000 2683.5613 6204.1978 296.4068 3520.6365 6234.4441 294.1011 PRESSURE: 836800 0 0 0 0 0 0 0 0 0 GPRESSURE: 836800 0 0 0 0 0 0 0 0 0 PRESSAVG: 836800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 836800 0 0 0 0 0 0 0 0 0 TIMING: 836800 CPU: 3309.12, 0.0039506/step Wall: 3309.12, 0.0039506/step, 1.82518 hours remaining, 113.089844 MB of memory in use. ENERGY: 836800 673.1809 1827.6688 1957.5967 101.3867 2.1632 -1058.4928 0.0000 0.0000 2672.6921 6176.1956 295.2063 3503.5035 6208.8414 295.7996 PRESSURE: 837000 0 0 0 0 0 0 0 0 0 GPRESSURE: 837000 0 0 0 0 0 0 0 0 0 PRESSAVG: 837000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 837000 0 0 0 0 0 0 0 0 0 TIMING: 837000 CPU: 3309.91, 0.003953/step Wall: 3309.91, 0.003953/step, 1.82607 hours remaining, 113.089844 MB of memory in use. ENERGY: 837000 641.4774 1801.7949 1962.9040 102.7753 3.0170 -1046.6908 0.0000 0.0000 2684.9303 6150.2082 296.5580 3465.2779 6179.9196 295.0516 PRESSURE: 837200 0 0 0 0 0 0 0 0 0 GPRESSURE: 837200 0 0 0 0 0 0 0 0 0 PRESSAVG: 837200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 837200 0 0 0 0 0 0 0 0 0 TIMING: 837200 CPU: 3310.7, 0.00395215/step Wall: 3310.7, 0.00395215/step, 1.82545 hours remaining, 113.089844 MB of memory in use. ENERGY: 837200 598.5159 1863.4592 1985.5745 106.2735 2.8116 -1062.3276 0.0000 0.0000 2718.0287 6212.3359 300.2138 3494.3072 6246.2825 296.8118 PRESSURE: 837400 0 0 0 0 0 0 0 0 0 GPRESSURE: 837400 0 0 0 0 0 0 0 0 0 PRESSAVG: 837400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 837400 0 0 0 0 0 0 0 0 0 TIMING: 837400 CPU: 3311.49, 0.00395325/step Wall: 3311.49, 0.00395325/step, 1.82574 hours remaining, 113.089844 MB of memory in use. ENERGY: 837400 657.1912 1778.5328 1978.3580 110.0289 2.1466 -1031.6204 0.0000 0.0000 2686.2468 6180.8839 296.7034 3494.6371 6211.6872 296.9610 PRESSURE: 837600 0 0 0 0 0 0 0 0 0 GPRESSURE: 837600 0 0 0 0 0 0 0 0 0 PRESSAVG: 837600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 837600 0 0 0 0 0 0 0 0 0 TIMING: 837600 CPU: 3312.28, 0.0039533/step Wall: 3312.28, 0.0039533/step, 1.82555 hours remaining, 113.089844 MB of memory in use. ENERGY: 837600 666.7706 1843.7594 1986.2036 96.7697 2.9357 -1089.2352 0.0000 0.0000 2602.1476 6109.3516 287.4145 3507.2039 6142.8368 294.0132 PRESSURE: 837800 0 0 0 0 0 0 0 0 0 GPRESSURE: 837800 0 0 0 0 0 0 0 0 0 PRESSAVG: 837800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 837800 0 0 0 0 0 0 0 0 0 TIMING: 837800 CPU: 3313.07, 0.00394938/step Wall: 3313.07, 0.00394938/step, 1.82352 hours remaining, 113.089844 MB of memory in use. ENERGY: 837800 653.1820 1802.8388 1988.2189 111.8751 1.8571 -1068.2498 0.0000 0.0000 2696.4749 6186.1970 297.8332 3489.7221 6217.6891 294.7417 PRESSURE: 838000 0 0 0 0 0 0 0 0 0 GPRESSURE: 838000 0 0 0 0 0 0 0 0 0 PRESSAVG: 838000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 838000 0 0 0 0 0 0 0 0 0 TIMING: 838000 CPU: 3313.86, 0.00395255/step Wall: 3313.86, 0.00395255/step, 1.82476 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 838000 622.8671 1790.2106 1980.4389 88.9361 1.5301 -1060.0838 0.0000 0.0000 2706.4467 6130.3457 298.9346 3423.8990 6164.9174 294.6467 PRESSURE: 838200 0 0 0 0 0 0 0 0 0 GPRESSURE: 838200 0 0 0 0 0 0 0 0 0 PRESSAVG: 838200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 838200 0 0 0 0 0 0 0 0 0 TIMING: 838200 CPU: 3314.65, 0.0039536/step Wall: 3314.65, 0.0039536/step, 1.82503 hours remaining, 113.089844 MB of memory in use. ENERGY: 838200 661.1746 1832.5678 1964.5958 101.9229 1.5492 -1059.5976 0.0000 0.0000 2616.7774 6118.9902 289.0303 3502.2128 6150.1378 292.9054 PRESSURE: 838400 0 0 0 0 0 0 0 0 0 GPRESSURE: 838400 0 0 0 0 0 0 0 0 0 PRESSAVG: 838400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 838400 0 0 0 0 0 0 0 0 0 TIMING: 838400 CPU: 3315.44, 0.00395347/step Wall: 3315.44, 0.00395347/step, 1.82474 hours remaining, 113.089844 MB of memory in use. ENERGY: 838400 639.4099 1807.2314 1964.3248 101.5969 2.3847 -1094.1899 0.0000 0.0000 2682.5678 6103.3257 296.2971 3420.7579 6134.7983 291.9666 PRESSURE: 838600 0 0 0 0 0 0 0 0 0 GPRESSURE: 838600 0 0 0 0 0 0 0 0 0 PRESSAVG: 838600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 838600 0 0 0 0 0 0 0 0 0 TIMING: 838600 CPU: 3316.23, 0.00395233/step Wall: 3316.23, 0.00395233/step, 1.824 hours remaining, 113.089844 MB of memory in use. ENERGY: 838600 654.6213 1806.2987 1971.4482 108.8542 1.6753 -1032.0374 0.0000 0.0000 2628.0907 6138.9511 290.2799 3510.8604 6168.7492 293.3834 PRESSURE: 838800 0 0 0 0 0 0 0 0 0 GPRESSURE: 838800 0 0 0 0 0 0 0 0 0 PRESSAVG: 838800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 838800 0 0 0 0 0 0 0 0 0 TIMING: 838800 CPU: 3317.02, 0.0039477/step Wall: 3317.02, 0.0039477/step, 1.82164 hours remaining, 113.089844 MB of memory in use. ENERGY: 838800 661.8330 1802.3897 1966.6593 100.0115 2.4529 -1068.1950 0.0000 0.0000 2706.2330 6171.3843 298.9110 3465.1513 6204.4722 292.4052 PRESSURE: 839000 0 0 0 0 0 0 0 0 0 GPRESSURE: 839000 0 0 0 0 0 0 0 0 0 PRESSAVG: 839000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 839000 0 0 0 0 0 0 0 0 0 TIMING: 839000 CPU: 3317.81, 0.00395143/step Wall: 3317.81, 0.00395143/step, 1.82315 hours remaining, 113.089844 MB of memory in use. ENERGY: 839000 648.9751 1804.5287 1974.7571 102.9616 4.0732 -1027.1990 0.0000 0.0000 2675.7630 6183.8595 295.5455 3508.0965 6219.2893 295.1225 PRESSURE: 839200 0 0 0 0 0 0 0 0 0 GPRESSURE: 839200 0 0 0 0 0 0 0 0 0 PRESSAVG: 839200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 839200 0 0 0 0 0 0 0 0 0 TIMING: 839200 CPU: 3318.6, 0.00395133/step Wall: 3318.6, 0.00395133/step, 1.82288 hours remaining, 113.089844 MB of memory in use. ENERGY: 839200 664.3532 1784.8020 1988.9776 102.3249 2.2589 -1050.6633 0.0000 0.0000 2678.6753 6170.7286 295.8671 3492.0533 6202.8162 295.3141 PRESSURE: 839400 0 0 0 0 0 0 0 0 0 GPRESSURE: 839400 0 0 0 0 0 0 0 0 0 PRESSAVG: 839400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 839400 0 0 0 0 0 0 0 0 0 TIMING: 839400 CPU: 3319.39, 0.00395229/step Wall: 3319.39, 0.00395229/step, 1.8231 hours remaining, 113.089844 MB of memory in use. ENERGY: 839400 629.4358 1815.0410 1995.7753 113.1188 1.0635 -1080.7988 0.0000 0.0000 2666.8082 6140.4439 294.5564 3473.6357 6175.1461 294.0408 PRESSURE: 839600 0 0 0 0 0 0 0 0 0 GPRESSURE: 839600 0 0 0 0 0 0 0 0 0 PRESSAVG: 839600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 839600 0 0 0 0 0 0 0 0 0 TIMING: 839600 CPU: 3320.19, 0.00395257/step Wall: 3320.19, 0.00395257/step, 1.82302 hours remaining, 113.089844 MB of memory in use. ENERGY: 839600 656.9169 1767.5158 1968.1079 107.5789 1.3858 -1035.1525 0.0000 0.0000 2690.8638 6157.2165 297.2134 3466.3527 6192.4084 294.8636 PRESSURE: 839800 0 0 0 0 0 0 0 0 0 GPRESSURE: 839800 0 0 0 0 0 0 0 0 0 PRESSAVG: 839800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 839800 0 0 0 0 0 0 0 0 0 TIMING: 839800 CPU: 3320.97, 0.00394851/step Wall: 3320.97, 0.00394851/step, 1.82092 hours remaining, 113.089844 MB of memory in use. ENERGY: 839800 672.7545 1799.6165 1958.2645 102.9818 2.0203 -1045.8867 0.0000 0.0000 2674.0364 6163.7873 295.3548 3489.7509 6194.3700 293.0827 PRESSURE: 840000 0 0 0 0 0 0 0 0 0 GPRESSURE: 840000 0 0 0 0 0 0 0 0 0 PRESSAVG: 840000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 840000 0 0 0 0 0 0 0 0 0 TIMING: 840000 CPU: 3321.77, 0.00395546/step Wall: 3321.77, 0.00395546/step, 1.82391 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 840000 654.7488 1836.0151 1971.1129 112.7253 2.3901 -1065.5887 0.0000 0.0000 2680.2582 6191.6618 296.0420 3511.4036 6222.3599 294.9485 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 840000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 840000 WRITING COORDINATES TO RESTART FILE AT STEP 840000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 840000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 840200 0 0 0 0 0 0 0 0 0 GPRESSURE: 840200 0 0 0 0 0 0 0 0 0 PRESSAVG: 840200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 840200 0 0 0 0 0 0 0 0 0 TIMING: 840200 CPU: 3322.61, 0.00423877/step Wall: 3322.61, 0.00423877/step, 1.95431 hours remaining, 113.089844 MB of memory in use. ENERGY: 840200 657.7642 1794.5388 1980.1900 119.0190 2.5748 -1053.6170 0.0000 0.0000 2701.0132 6201.4829 298.3344 3500.4698 6234.7406 296.3134 LDB: ============= START OF LOAD BALANCING ============== 3325.57 LDB: ============== END OF LOAD BALANCING =============== 3325.57 LDB: =============== DONE WITH MIGRATION ================ 3325.57 LDB: ============= START OF LOAD BALANCING ============== 3325.97 LDB: ============== END OF LOAD BALANCING =============== 3325.97 LDB: =============== DONE WITH MIGRATION ================ 3325.97 PRESSURE: 840400 0 0 0 0 0 0 0 0 0 GPRESSURE: 840400 0 0 0 0 0 0 0 0 0 PRESSAVG: 840400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 840400 0 0 0 0 0 0 0 0 0 TIMING: 840400 CPU: 3323.41, 0.00395971/step Wall: 3323.41, 0.00395971/step, 1.82543 hours remaining, 113.089844 MB of memory in use. ENERGY: 840400 597.1613 1840.0511 1990.1971 113.7065 2.5214 -1060.0502 0.0000 0.0000 2747.6135 6231.2007 303.4816 3483.5871 6266.5066 298.3442 PRESSURE: 840600 0 0 0 0 0 0 0 0 0 GPRESSURE: 840600 0 0 0 0 0 0 0 0 0 PRESSAVG: 840600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 840600 0 0 0 0 0 0 0 0 0 TIMING: 840600 CPU: 3324.2, 0.00395424/step Wall: 3324.2, 0.00395424/step, 1.82269 hours remaining, 113.089844 MB of memory in use. ENERGY: 840600 640.3803 1776.8459 1977.8619 103.1668 3.2300 -1013.6674 0.0000 0.0000 2732.9501 6220.7676 301.8620 3487.8174 6255.1992 298.8417 PRESSURE: 840800 0 0 0 0 0 0 0 0 0 GPRESSURE: 840800 0 0 0 0 0 0 0 0 0 PRESSAVG: 840800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 840800 0 0 0 0 0 0 0 0 0 TIMING: 840800 CPU: 3324.99, 0.00394921/step Wall: 3324.99, 0.00394921/step, 1.82015 hours remaining, 113.089844 MB of memory in use. ENERGY: 840800 631.3676 1842.6432 1976.1181 108.2372 2.3674 -1053.3532 0.0000 0.0000 2720.9573 6228.3375 300.5373 3507.3802 6263.6769 297.9132 PRESSURE: 841000 0 0 0 0 0 0 0 0 0 GPRESSURE: 841000 0 0 0 0 0 0 0 0 0 PRESSAVG: 841000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 841000 0 0 0 0 0 0 0 0 0 TIMING: 841000 CPU: 3325.78, 0.00395562/step Wall: 3325.78, 0.00395562/step, 1.82288 hours remaining, 113.089844 MB of memory in use. ENERGY: 841000 659.1705 1814.4258 1972.2274 114.5816 1.4197 -1024.9172 0.0000 0.0000 2726.1637 6263.0714 301.1124 3536.9077 6295.5589 298.9451 PRESSURE: 841200 0 0 0 0 0 0 0 0 0 GPRESSURE: 841200 0 0 0 0 0 0 0 0 0 PRESSAVG: 841200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 841200 0 0 0 0 0 0 0 0 0 TIMING: 841200 CPU: 3326.57, 0.00395568/step Wall: 3326.57, 0.00395568/step, 1.82269 hours remaining, 113.089844 MB of memory in use. ENERGY: 841200 718.4335 1857.9487 1960.4077 108.2905 2.6618 -1068.5765 0.0000 0.0000 2712.2081 6291.3740 299.5709 3579.1658 6326.2243 302.4338 PRESSURE: 841400 0 0 0 0 0 0 0 0 0 GPRESSURE: 841400 0 0 0 0 0 0 0 0 0 PRESSAVG: 841400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 841400 0 0 0 0 0 0 0 0 0 TIMING: 841400 CPU: 3327.36, 0.00395526/step Wall: 3327.36, 0.00395526/step, 1.82227 hours remaining, 113.089844 MB of memory in use. ENERGY: 841400 699.5606 1869.9530 1997.7549 112.3450 3.2956 -1061.0694 0.0000 0.0000 2677.9961 6299.8359 295.7921 3621.8398 6330.7460 301.7605 PRESSURE: 841600 0 0 0 0 0 0 0 0 0 GPRESSURE: 841600 0 0 0 0 0 0 0 0 0 PRESSAVG: 841600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 841600 0 0 0 0 0 0 0 0 0 TIMING: 841600 CPU: 3328.15, 0.0039475/step Wall: 3328.15, 0.0039475/step, 1.81848 hours remaining, 113.089844 MB of memory in use. ENERGY: 841600 672.1591 1847.3593 1989.4105 109.3354 2.2570 -1064.2182 0.0000 0.0000 2698.4025 6254.7056 298.0461 3556.3030 6289.1815 301.5414 PRESSURE: 841800 0 0 0 0 0 0 0 0 0 GPRESSURE: 841800 0 0 0 0 0 0 0 0 0 PRESSAVG: 841800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 841800 0 0 0 0 0 0 0 0 0 TIMING: 841800 CPU: 3328.94, 0.00395275/step Wall: 3328.94, 0.00395275/step, 1.82068 hours remaining, 113.089844 MB of memory in use. ENERGY: 841800 663.5785 1830.8421 1964.3464 117.0250 2.6715 -1059.2589 0.0000 0.0000 2630.1441 6149.3487 290.5067 3519.2045 6177.2862 298.2849 PRESSURE: 842000 0 0 0 0 0 0 0 0 0 GPRESSURE: 842000 0 0 0 0 0 0 0 0 0 PRESSAVG: 842000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 842000 0 0 0 0 0 0 0 0 0 TIMING: 842000 CPU: 3329.73, 0.00395519/step Wall: 3329.73, 0.00395519/step, 1.82158 hours remaining, 113.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 842000 665.3209 1819.9143 1973.4429 117.3512 1.3935 -1071.1616 0.0000 0.0000 2676.8359 6183.0971 295.6640 3506.2612 6213.8029 295.5519 PRESSURE: 842200 0 0 0 0 0 0 0 0 0 GPRESSURE: 842200 0 0 0 0 0 0 0 0 0 PRESSAVG: 842200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 842200 0 0 0 0 0 0 0 0 0 TIMING: 842200 CPU: 3330.52, 0.00395455/step Wall: 3330.52, 0.00395455/step, 1.82107 hours remaining, 113.089844 MB of memory in use. ENERGY: 842200 679.6558 1819.5648 1947.7999 102.1382 2.4341 -1058.5089 0.0000 0.0000 2658.5162 6151.6001 293.6405 3493.0839 6183.9097 296.3813 PRESSURE: 842400 0 0 0 0 0 0 0 0 0 GPRESSURE: 842400 0 0 0 0 0 0 0 0 0 PRESSAVG: 842400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 842400 0 0 0 0 0 0 0 0 0 TIMING: 842400 CPU: 3331.31, 0.00395697/step Wall: 3331.31, 0.00395697/step, 1.82197 hours remaining, 113.089844 MB of memory in use. ENERGY: 842400 642.8200 1780.0702 1980.1556 104.2018 3.4501 -1069.2016 0.0000 0.0000 2677.9560 6119.4521 295.7877 3441.4962 6152.1696 295.1414 PRESSURE: 842600 0 0 0 0 0 0 0 0 0 GPRESSURE: 842600 0 0 0 0 0 0 0 0 0 PRESSAVG: 842600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 842600 0 0 0 0 0 0 0 0 0 TIMING: 842600 CPU: 3332.1, 0.00394875/step Wall: 3332.1, 0.00394875/step, 1.81796 hours remaining, 113.089844 MB of memory in use. ENERGY: 842600 660.1226 1796.2725 1997.4269 105.1320 3.0794 -1043.1966 0.0000 0.0000 2636.6473 6155.4842 291.2250 3518.8368 6184.6661 294.6616 PRESSURE: 842800 0 0 0 0 0 0 0 0 0 GPRESSURE: 842800 0 0 0 0 0 0 0 0 0 PRESSAVG: 842800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 842800 0 0 0 0 0 0 0 0 0 TIMING: 842800 CPU: 3332.89, 0.00395486/step Wall: 3332.89, 0.00395486/step, 1.82055 hours remaining, 113.097656 MB of memory in use. ENERGY: 842800 666.1693 1814.1645 1979.1106 105.3089 3.0536 -1066.2771 0.0000 0.0000 2676.1408 6177.6706 295.5872 3501.5297 6210.4019 294.7705 PRESSURE: 843000 0 0 0 0 0 0 0 0 0 GPRESSURE: 843000 0 0 0 0 0 0 0 0 0 PRESSAVG: 843000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 843000 0 0 0 0 0 0 0 0 0 TIMING: 843000 CPU: 3333.68, 0.00395636/step Wall: 3333.68, 0.00395636/step, 1.82103 hours remaining, 113.097656 MB of memory in use. ENERGY: 843000 653.3902 1802.7966 2000.5617 109.8393 2.5197 -1079.9154 0.0000 0.0000 2685.1184 6174.3104 296.5788 3489.1920 6207.1640 297.0411 PRESSURE: 843200 0 0 0 0 0 0 0 0 0 GPRESSURE: 843200 0 0 0 0 0 0 0 0 0 PRESSAVG: 843200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 843200 0 0 0 0 0 0 0 0 0 TIMING: 843200 CPU: 3334.48, 0.00395536/step Wall: 3334.48, 0.00395536/step, 1.82034 hours remaining, 113.097656 MB of memory in use. ENERGY: 843200 615.0951 1834.4538 1956.8327 110.9618 2.9195 -1056.9269 0.0000 0.0000 2734.0660 6197.4019 301.9852 3463.3360 6232.4847 295.9727 PRESSURE: 843400 0 0 0 0 0 0 0 0 0 GPRESSURE: 843400 0 0 0 0 0 0 0 0 0 PRESSAVG: 843400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 843400 0 0 0 0 0 0 0 0 0 TIMING: 843400 CPU: 3335.27, 0.00395551/step Wall: 3335.27, 0.00395551/step, 1.82019 hours remaining, 113.097656 MB of memory in use. ENERGY: 843400 640.0427 1818.0875 1990.2783 112.9609 2.2515 -1030.8887 0.0000 0.0000 2690.9893 6223.7215 297.2273 3532.7322 6258.3508 297.2164 PRESSURE: 843600 0 0 0 0 0 0 0 0 0 GPRESSURE: 843600 0 0 0 0 0 0 0 0 0 PRESSAVG: 843600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 843600 0 0 0 0 0 0 0 0 0 TIMING: 843600 CPU: 3336.06, 0.00394907/step Wall: 3336.06, 0.00394907/step, 1.81701 hours remaining, 113.101562 MB of memory in use. ENERGY: 843600 650.4983 1862.9390 1992.8651 108.3699 0.9878 -1037.1293 0.0000 0.0000 2635.6907 6214.2215 291.1194 3578.5308 6242.0884 296.9858 PRESSURE: 843800 0 0 0 0 0 0 0 0 0 GPRESSURE: 843800 0 0 0 0 0 0 0 0 0 PRESSAVG: 843800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 843800 0 0 0 0 0 0 0 0 0 TIMING: 843800 CPU: 3336.85, 0.00395622/step Wall: 3336.85, 0.00395622/step, 1.82008 hours remaining, 113.105469 MB of memory in use. ENERGY: 843800 640.2491 1825.7568 2013.7866 108.9269 2.7525 -1038.7841 0.0000 0.0000 2719.0903 6271.7781 300.3311 3552.6878 6304.0442 299.3307 PRESSURE: 844000 0 0 0 0 0 0 0 0 0 GPRESSURE: 844000 0 0 0 0 0 0 0 0 0 PRESSAVG: 844000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 844000 0 0 0 0 0 0 0 0 0 TIMING: 844000 CPU: 3337.64, 0.00395625/step Wall: 3337.64, 0.00395625/step, 1.81987 hours remaining, 113.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 844000 663.0332 1816.1479 1992.6731 105.3649 1.9734 -1035.8605 0.0000 0.0000 2680.7198 6224.0517 296.0930 3543.3319 6255.2777 299.9455 PRESSURE: 844200 0 0 0 0 0 0 0 0 0 GPRESSURE: 844200 0 0 0 0 0 0 0 0 0 PRESSAVG: 844200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 844200 0 0 0 0 0 0 0 0 0 TIMING: 844200 CPU: 3338.43, 0.00396353/step Wall: 3338.43, 0.00396353/step, 1.82301 hours remaining, 113.113281 MB of memory in use. ENERGY: 844200 628.6293 1810.4025 1984.6056 111.6658 2.6868 -1047.0371 0.0000 0.0000 2712.0247 6202.9774 299.5507 3490.9528 6233.1439 299.4041 LDB: ============= START OF LOAD BALANCING ============== 3341.39 LDB: ============== END OF LOAD BALANCING =============== 3341.39 LDB: =============== DONE WITH MIGRATION ================ 3341.39 LDB: ============= START OF LOAD BALANCING ============== 3341.79 LDB: ============== END OF LOAD BALANCING =============== 3341.79 LDB: =============== DONE WITH MIGRATION ================ 3341.79 PRESSURE: 844400 0 0 0 0 0 0 0 0 0 GPRESSURE: 844400 0 0 0 0 0 0 0 0 0 PRESSAVG: 844400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 844400 0 0 0 0 0 0 0 0 0 TIMING: 844400 CPU: 3339.22, 0.00395823/step Wall: 3339.22, 0.00395823/step, 1.82035 hours remaining, 113.117188 MB of memory in use. ENERGY: 844400 662.4491 1825.8674 1981.6876 123.1076 1.6609 -1065.2608 0.0000 0.0000 2729.7446 6259.2564 301.5079 3529.5118 6290.8625 301.3947 PRESSURE: 844600 0 0 0 0 0 0 0 0 0 GPRESSURE: 844600 0 0 0 0 0 0 0 0 0 PRESSAVG: 844600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 844600 0 0 0 0 0 0 0 0 0 TIMING: 844600 CPU: 3340.01, 0.00394995/step Wall: 3340.01, 0.00394995/step, 1.81632 hours remaining, 113.117188 MB of memory in use. ENERGY: 844600 635.9128 1832.7994 2004.9163 115.5362 1.1874 -1064.4741 0.0000 0.0000 2715.9137 6241.7916 299.9802 3525.8779 6276.0438 300.4565 PRESSURE: 844800 0 0 0 0 0 0 0 0 0 GPRESSURE: 844800 0 0 0 0 0 0 0 0 0 PRESSAVG: 844800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 844800 0 0 0 0 0 0 0 0 0 TIMING: 844800 CPU: 3340.8, 0.0039547/step Wall: 3340.8, 0.0039547/step, 1.81828 hours remaining, 113.121094 MB of memory in use. ENERGY: 844800 644.5927 1789.2670 2001.1579 103.3588 1.0997 -1052.4396 0.0000 0.0000 2736.6097 6223.6462 302.2662 3487.0365 6259.1070 299.5348 PRESSURE: 845000 0 0 0 0 0 0 0 0 0 GPRESSURE: 845000 0 0 0 0 0 0 0 0 0 PRESSAVG: 845000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 845000 0 0 0 0 0 0 0 0 0 TIMING: 845000 CPU: 3341.6, 0.00395406/step Wall: 3341.6, 0.00395406/step, 1.81777 hours remaining, 113.125000 MB of memory in use. ENERGY: 845000 655.8072 1809.3338 1999.7470 105.7283 1.2333 -1058.6118 0.0000 0.0000 2717.6485 6230.8862 300.1718 3513.2378 6264.7024 298.8492 PRESSURE: 845200 0 0 0 0 0 0 0 0 0 GPRESSURE: 845200 0 0 0 0 0 0 0 0 0 PRESSAVG: 845200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 845200 0 0 0 0 0 0 0 0 0 TIMING: 845200 CPU: 3342.39, 0.00396828/step Wall: 3342.39, 0.00396828/step, 1.82409 hours remaining, 113.128906 MB of memory in use. ENERGY: 845200 678.6199 1839.3506 1983.7593 111.5863 0.7950 -1102.4872 0.0000 0.0000 2738.6316 6250.2554 302.4895 3511.6238 6286.5202 300.0892 PRESSURE: 845400 0 0 0 0 0 0 0 0 0 GPRESSURE: 845400 0 0 0 0 0 0 0 0 0 PRESSAVG: 845400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 845400 0 0 0 0 0 0 0 0 0 TIMING: 845400 CPU: 3343.18, 0.00395455/step Wall: 3343.18, 0.00395455/step, 1.81756 hours remaining, 113.128906 MB of memory in use. ENERGY: 845400 681.4132 1845.3255 1966.7397 108.8804 2.3755 -1039.0777 0.0000 0.0000 2686.6413 6252.2978 296.7470 3565.6565 6282.4314 301.0323 PRESSURE: 845600 0 0 0 0 0 0 0 0 0 GPRESSURE: 845600 0 0 0 0 0 0 0 0 0 PRESSAVG: 845600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 845600 0 0 0 0 0 0 0 0 0 TIMING: 845600 CPU: 3343.97, 0.00395562/step Wall: 3343.97, 0.00395562/step, 1.81783 hours remaining, 113.128906 MB of memory in use. ENERGY: 845600 616.1112 1839.4225 1960.1189 105.7936 1.7417 -1060.4820 0.0000 0.0000 2719.1258 6181.8316 300.3350 3462.7058 6213.1880 297.9689 PRESSURE: 845800 0 0 0 0 0 0 0 0 0 GPRESSURE: 845800 0 0 0 0 0 0 0 0 0 PRESSAVG: 845800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 845800 0 0 0 0 0 0 0 0 0 TIMING: 845800 CPU: 3344.76, 0.00395315/step Wall: 3344.76, 0.00395315/step, 1.81647 hours remaining, 113.128906 MB of memory in use. ENERGY: 845800 691.6126 1788.1561 1962.8038 107.8282 1.4636 -1028.8328 0.0000 0.0000 2684.7352 6207.7667 296.5365 3523.0315 6238.3817 296.3963 PRESSURE: 846000 0 0 0 0 0 0 0 0 0 GPRESSURE: 846000 0 0 0 0 0 0 0 0 0 PRESSAVG: 846000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 846000 0 0 0 0 0 0 0 0 0 TIMING: 846000 CPU: 3345.55, 0.00395346/step Wall: 3345.55, 0.00395346/step, 1.8164 hours remaining, 113.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 846000 688.0844 1845.8422 1959.0499 94.4227 1.3458 -1060.2414 0.0000 0.0000 2685.4271 6213.9307 296.6129 3528.5036 6248.2270 298.9124 PRESSURE: 846200 0 0 0 0 0 0 0 0 0 GPRESSURE: 846200 0 0 0 0 0 0 0 0 0 PRESSAVG: 846200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 846200 0 0 0 0 0 0 0 0 0 TIMING: 846200 CPU: 3346.34, 0.00395355/step Wall: 3346.34, 0.00395355/step, 1.81621 hours remaining, 113.128906 MB of memory in use. ENERGY: 846200 636.4669 1820.6531 1954.5212 113.1872 1.6435 -1038.0928 0.0000 0.0000 2736.2854 6224.6644 302.2303 3488.3791 6259.3479 298.0638 PRESSURE: 846400 0 0 0 0 0 0 0 0 0 GPRESSURE: 846400 0 0 0 0 0 0 0 0 0 PRESSAVG: 846400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 846400 0 0 0 0 0 0 0 0 0 TIMING: 846400 CPU: 3347.13, 0.00394984/step Wall: 3347.13, 0.00394984/step, 1.81429 hours remaining, 113.128906 MB of memory in use. ENERGY: 846400 655.0261 1810.9908 1984.5143 100.3666 1.2716 -1035.8034 0.0000 0.0000 2657.2204 6173.5864 293.4974 3516.3660 6205.6550 298.1275 PRESSURE: 846600 0 0 0 0 0 0 0 0 0 GPRESSURE: 846600 0 0 0 0 0 0 0 0 0 PRESSAVG: 846600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 846600 0 0 0 0 0 0 0 0 0 TIMING: 846600 CPU: 3347.92, 0.00395367/step Wall: 3347.92, 0.00395367/step, 1.81583 hours remaining, 113.128906 MB of memory in use. ENERGY: 846600 669.5025 1834.0637 1984.5522 101.2679 1.1137 -1043.0221 0.0000 0.0000 2654.5129 6201.9908 293.1983 3547.4779 6233.2980 295.7216 PRESSURE: 846800 0 0 0 0 0 0 0 0 0 GPRESSURE: 846800 0 0 0 0 0 0 0 0 0 PRESSAVG: 846800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 846800 0 0 0 0 0 0 0 0 0 TIMING: 846800 CPU: 3348.71, 0.00395463/step Wall: 3348.71, 0.00395463/step, 1.81606 hours remaining, 113.132812 MB of memory in use. ENERGY: 846800 639.2917 1838.1277 1956.5138 97.0021 2.5200 -1076.7565 0.0000 0.0000 2705.3241 6162.0229 298.8106 3456.6988 6195.3044 297.1213 PRESSURE: 847000 0 0 0 0 0 0 0 0 0 GPRESSURE: 847000 0 0 0 0 0 0 0 0 0 PRESSAVG: 847000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 847000 0 0 0 0 0 0 0 0 0 TIMING: 847000 CPU: 3349.51, 0.00395481/step Wall: 3349.51, 0.00395481/step, 1.81592 hours remaining, 113.132812 MB of memory in use. ENERGY: 847000 642.8420 1829.3425 1962.0587 109.6034 1.3881 -1086.9491 0.0000 0.0000 2743.3331 6201.6186 303.0088 3458.2855 6236.2155 295.7932 PRESSURE: 847200 0 0 0 0 0 0 0 0 0 GPRESSURE: 847200 0 0 0 0 0 0 0 0 0 PRESSAVG: 847200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 847200 0 0 0 0 0 0 0 0 0 TIMING: 847200 CPU: 3350.3, 0.00395536/step Wall: 3350.3, 0.00395536/step, 1.81595 hours remaining, 113.132812 MB of memory in use. ENERGY: 847200 628.8378 1859.2353 1965.1334 103.8442 0.7974 -1076.3808 0.0000 0.0000 2747.5735 6229.0409 303.4772 3481.4673 6263.7393 300.0991 PRESSURE: 847400 0 0 0 0 0 0 0 0 0 GPRESSURE: 847400 0 0 0 0 0 0 0 0 0 PRESSAVG: 847400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 847400 0 0 0 0 0 0 0 0 0 TIMING: 847400 CPU: 3351.09, 0.00394913/step Wall: 3351.09, 0.00394913/step, 1.81287 hours remaining, 113.132812 MB of memory in use. ENERGY: 847400 677.4367 1861.3781 1976.9373 98.7332 0.7458 -1057.3028 0.0000 0.0000 2666.2669 6224.1951 294.4966 3557.9283 6256.9843 298.0152 PRESSURE: 847600 0 0 0 0 0 0 0 0 0 GPRESSURE: 847600 0 0 0 0 0 0 0 0 0 PRESSAVG: 847600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 847600 0 0 0 0 0 0 0 0 0 TIMING: 847600 CPU: 3351.88, 0.00395446/step Wall: 3351.88, 0.00395446/step, 1.8151 hours remaining, 113.132812 MB of memory in use. ENERGY: 847600 632.5837 1812.8065 2003.8480 101.2695 2.1676 -1027.8330 0.0000 0.0000 2726.3689 6251.2113 301.1350 3524.8423 6286.2272 299.9434 PRESSURE: 847800 0 0 0 0 0 0 0 0 0 GPRESSURE: 847800 0 0 0 0 0 0 0 0 0 PRESSAVG: 847800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 847800 0 0 0 0 0 0 0 0 0 TIMING: 847800 CPU: 3352.67, 0.0039533/step Wall: 3352.67, 0.0039533/step, 1.81435 hours remaining, 113.132812 MB of memory in use. ENERGY: 847800 654.6706 1836.4040 1996.5471 121.0770 2.2696 -1084.4719 0.0000 0.0000 2727.4789 6253.9753 301.2576 3526.4964 6287.6519 300.3327 PRESSURE: 848000 0 0 0 0 0 0 0 0 0 GPRESSURE: 848000 0 0 0 0 0 0 0 0 0 PRESSAVG: 848000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 848000 0 0 0 0 0 0 0 0 0 TIMING: 848000 CPU: 3353.46, 0.00395435/step Wall: 3353.46, 0.00395435/step, 1.81461 hours remaining, 113.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 848000 679.7279 1815.6114 1990.3538 106.4524 2.1208 -1069.3975 0.0000 0.0000 2724.6529 6249.5217 300.9455 3524.8688 6283.1551 300.8259 PRESSURE: 848200 0 0 0 0 0 0 0 0 0 GPRESSURE: 848200 0 0 0 0 0 0 0 0 0 PRESSAVG: 848200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 848200 0 0 0 0 0 0 0 0 0 TIMING: 848200 CPU: 3354.25, 0.00395377/step Wall: 3354.25, 0.00395377/step, 1.81412 hours remaining, 113.132812 MB of memory in use. ENERGY: 848200 634.4643 1849.7055 1982.0659 106.3160 2.5411 -1052.0231 0.0000 0.0000 2699.7553 6222.8250 298.1955 3523.0697 6254.7794 300.0035 LDB: ============= START OF LOAD BALANCING ============== 3357.21 LDB: ============== END OF LOAD BALANCING =============== 3357.21 LDB: =============== DONE WITH MIGRATION ================ 3357.21 LDB: ============= START OF LOAD BALANCING ============== 3357.61 LDB: ============== END OF LOAD BALANCING =============== 3357.61 LDB: =============== DONE WITH MIGRATION ================ 3357.61 PRESSURE: 848400 0 0 0 0 0 0 0 0 0 GPRESSURE: 848400 0 0 0 0 0 0 0 0 0 PRESSAVG: 848400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 848400 0 0 0 0 0 0 0 0 0 TIMING: 848400 CPU: 3355.04, 0.00395586/step Wall: 3355.04, 0.00395586/step, 1.81486 hours remaining, 113.140625 MB of memory in use. ENERGY: 848400 643.3754 1860.9841 1989.2888 115.7366 2.4592 -1034.5786 0.0000 0.0000 2646.3662 6223.6317 292.2985 3577.2655 6254.6891 299.0764 PRESSURE: 848600 0 0 0 0 0 0 0 0 0 GPRESSURE: 848600 0 0 0 0 0 0 0 0 0 PRESSAVG: 848600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 848600 0 0 0 0 0 0 0 0 0 TIMING: 848600 CPU: 3355.83, 0.00395747/step Wall: 3355.83, 0.00395747/step, 1.81538 hours remaining, 113.140625 MB of memory in use. ENERGY: 848600 643.2850 1839.7717 1992.6727 107.2979 1.6958 -1064.6475 0.0000 0.0000 2686.2325 6206.3080 296.7019 3520.0756 6237.0363 297.5756 PRESSURE: 848800 0 0 0 0 0 0 0 0 0 GPRESSURE: 848800 0 0 0 0 0 0 0 0 0 PRESSAVG: 848800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 848800 0 0 0 0 0 0 0 0 0 TIMING: 848800 CPU: 3356.62, 0.00395641/step Wall: 3356.62, 0.00395641/step, 1.81467 hours remaining, 113.140625 MB of memory in use. ENERGY: 848800 636.0850 1829.3195 1965.4519 111.5028 2.9834 -1039.5539 0.0000 0.0000 2761.2199 6267.0086 304.9844 3505.7887 6302.6045 299.1492 PRESSURE: 849000 0 0 0 0 0 0 0 0 0 GPRESSURE: 849000 0 0 0 0 0 0 0 0 0 PRESSAVG: 849000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 849000 0 0 0 0 0 0 0 0 0 TIMING: 849000 CPU: 3357.41, 0.00395563/step Wall: 3357.41, 0.00395563/step, 1.8141 hours remaining, 113.140625 MB of memory in use. ENERGY: 849000 644.0653 1888.0866 1959.1740 106.0852 2.8642 -1053.5126 0.0000 0.0000 2697.2267 6243.9894 297.9162 3546.7627 6275.0701 299.7322 PRESSURE: 849200 0 0 0 0 0 0 0 0 0 GPRESSURE: 849200 0 0 0 0 0 0 0 0 0 PRESSAVG: 849200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 849200 0 0 0 0 0 0 0 0 0 TIMING: 849200 CPU: 3358.21, 0.00395138/step Wall: 3358.21, 0.00395138/step, 1.81193 hours remaining, 113.140625 MB of memory in use. ENERGY: 849200 709.8513 1780.9111 1983.7449 106.2598 0.3987 -1067.3249 0.0000 0.0000 2717.2395 6231.0804 300.1267 3513.8409 6263.8653 298.1420 PRESSURE: 849400 0 0 0 0 0 0 0 0 0 GPRESSURE: 849400 0 0 0 0 0 0 0 0 0 PRESSAVG: 849400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 849400 0 0 0 0 0 0 0 0 0 TIMING: 849400 CPU: 3359, 0.00395574/step Wall: 3359, 0.00395574/step, 1.81371 hours remaining, 113.152344 MB of memory in use. ENERGY: 849400 665.8799 1860.4943 1949.8400 114.0764 -0.0299 -1035.9119 0.0000 0.0000 2697.1141 6251.4630 297.9038 3554.3488 6282.8773 299.9143 PRESSURE: 849600 0 0 0 0 0 0 0 0 0 GPRESSURE: 849600 0 0 0 0 0 0 0 0 0 PRESSAVG: 849600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 849600 0 0 0 0 0 0 0 0 0 TIMING: 849600 CPU: 3359.79, 0.00395464/step Wall: 3359.79, 0.00395464/step, 1.81298 hours remaining, 113.156250 MB of memory in use. ENERGY: 849600 678.3504 1870.3454 1980.6072 106.6459 1.7210 -1072.9123 0.0000 0.0000 2640.2407 6204.9984 291.6219 3564.7577 6238.7188 298.3456 PRESSURE: 849800 0 0 0 0 0 0 0 0 0 GPRESSURE: 849800 0 0 0 0 0 0 0 0 0 PRESSAVG: 849800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 849800 0 0 0 0 0 0 0 0 0 TIMING: 849800 CPU: 3360.58, 0.0039541/step Wall: 3360.58, 0.0039541/step, 1.81251 hours remaining, 113.156250 MB of memory in use. ENERGY: 849800 644.3454 1838.2965 1960.5554 105.5913 2.0418 -1058.5492 0.0000 0.0000 2715.7909 6208.0721 299.9667 3492.2812 6241.6180 298.2016 PRESSURE: 850000 0 0 0 0 0 0 0 0 0 GPRESSURE: 850000 0 0 0 0 0 0 0 0 0 PRESSAVG: 850000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 850000 0 0 0 0 0 0 0 0 0 TIMING: 850000 CPU: 3361.37, 0.00395604/step Wall: 3361.37, 0.00395604/step, 1.81319 hours remaining, 113.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 850000 656.6105 1800.6336 1930.1753 107.2463 1.9852 -1054.1073 0.0000 0.0000 2713.7313 6156.2749 299.7392 3442.5436 6189.8921 296.4489 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 850000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 850000 WRITING COORDINATES TO RESTART FILE AT STEP 850000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 850000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 850200 0 0 0 0 0 0 0 0 0 GPRESSURE: 850200 0 0 0 0 0 0 0 0 0 PRESSAVG: 850200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 850200 0 0 0 0 0 0 0 0 0 TIMING: 850200 CPU: 3362.22, 0.0042676/step Wall: 3362.22, 0.0042676/step, 1.95575 hours remaining, 113.160156 MB of memory in use. ENERGY: 850200 665.9399 1806.9140 1971.1040 105.5862 2.1875 -1067.9011 0.0000 0.0000 2716.1962 6200.0266 300.0114 3483.8305 6232.9673 297.6734 PRESSURE: 850400 0 0 0 0 0 0 0 0 0 GPRESSURE: 850400 0 0 0 0 0 0 0 0 0 PRESSAVG: 850400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 850400 0 0 0 0 0 0 0 0 0 TIMING: 850400 CPU: 3363.01, 0.00395544/step Wall: 3363.01, 0.00395544/step, 1.81247 hours remaining, 113.164062 MB of memory in use. ENERGY: 850400 684.2516 1777.5308 2017.8631 104.4789 3.9215 -1075.6881 0.0000 0.0000 2666.7218 6179.0797 294.5468 3512.3579 6214.0648 295.9000 PRESSURE: 850600 0 0 0 0 0 0 0 0 0 GPRESSURE: 850600 0 0 0 0 0 0 0 0 0 PRESSAVG: 850600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 850600 0 0 0 0 0 0 0 0 0 TIMING: 850600 CPU: 3363.8, 0.00395398/step Wall: 3363.8, 0.00395398/step, 1.81158 hours remaining, 113.164062 MB of memory in use. ENERGY: 850600 662.7371 1855.3632 1984.3774 106.1547 3.1384 -1054.1434 0.0000 0.0000 2708.8686 6266.4960 299.2021 3557.6274 6299.9610 298.8197 PRESSURE: 850800 0 0 0 0 0 0 0 0 0 GPRESSURE: 850800 0 0 0 0 0 0 0 0 0 PRESSAVG: 850800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 850800 0 0 0 0 0 0 0 0 0 TIMING: 850800 CPU: 3364.6, 0.00395519/step Wall: 3364.6, 0.00395519/step, 1.81192 hours remaining, 113.164062 MB of memory in use. ENERGY: 850800 642.2759 1837.9650 1960.5545 116.9357 2.8364 -1010.5404 0.0000 0.0000 2716.4985 6266.5256 300.0448 3550.0271 6299.0995 301.0750 PRESSURE: 851000 0 0 0 0 0 0 0 0 0 GPRESSURE: 851000 0 0 0 0 0 0 0 0 0 PRESSAVG: 851000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 851000 0 0 0 0 0 0 0 0 0 TIMING: 851000 CPU: 3365.39, 0.00395581/step Wall: 3365.39, 0.00395581/step, 1.81198 hours remaining, 113.164062 MB of memory in use. ENERGY: 851000 673.3247 1848.2365 2015.2462 104.5960 2.0008 -1038.7174 0.0000 0.0000 2722.1640 6326.8507 300.6706 3604.6867 6357.8759 303.9649 PRESSURE: 851200 0 0 0 0 0 0 0 0 0 GPRESSURE: 851200 0 0 0 0 0 0 0 0 0 PRESSAVG: 851200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 851200 0 0 0 0 0 0 0 0 0 TIMING: 851200 CPU: 3366.18, 0.00395002/step Wall: 3366.18, 0.00395002/step, 1.80911 hours remaining, 113.164062 MB of memory in use. ENERGY: 851200 667.4165 1855.5588 1994.7723 90.8327 1.0767 -1038.4530 0.0000 0.0000 2722.4025 6293.6065 300.6969 3571.2040 6323.2960 302.8274 PRESSURE: 851400 0 0 0 0 0 0 0 0 0 GPRESSURE: 851400 0 0 0 0 0 0 0 0 0 PRESSAVG: 851400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 851400 0 0 0 0 0 0 0 0 0 TIMING: 851400 CPU: 3366.97, 0.00395627/step Wall: 3366.97, 0.00395627/step, 1.81175 hours remaining, 113.167969 MB of memory in use. ENERGY: 851400 643.2192 1864.6900 1990.5986 110.6771 1.7555 -1077.2454 0.0000 0.0000 2755.9520 6289.6469 304.4026 3533.6949 6323.9885 302.9695 PRESSURE: 851600 0 0 0 0 0 0 0 0 0 GPRESSURE: 851600 0 0 0 0 0 0 0 0 0 PRESSAVG: 851600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 851600 0 0 0 0 0 0 0 0 0 TIMING: 851600 CPU: 3367.76, 0.00395581/step Wall: 3367.76, 0.00395581/step, 1.81132 hours remaining, 113.167969 MB of memory in use. ENERGY: 851600 687.8116 1827.1927 1960.2876 95.8672 2.2390 -1089.7763 0.0000 0.0000 2824.5697 6308.1916 311.9816 3483.6218 6344.6670 303.5558 PRESSURE: 851800 0 0 0 0 0 0 0 0 0 GPRESSURE: 851800 0 0 0 0 0 0 0 0 0 PRESSAVG: 851800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 851800 0 0 0 0 0 0 0 0 0 TIMING: 851800 CPU: 3368.55, 0.00395566/step Wall: 3368.55, 0.00395566/step, 1.81103 hours remaining, 113.171875 MB of memory in use. ENERGY: 851800 685.9750 1856.0412 1997.5448 115.5513 2.1933 -1105.2966 0.0000 0.0000 2698.9615 6250.9704 298.1078 3552.0089 6283.3926 303.6378 PRESSURE: 852000 0 0 0 0 0 0 0 0 0 GPRESSURE: 852000 0 0 0 0 0 0 0 0 0 PRESSAVG: 852000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 852000 0 0 0 0 0 0 0 0 0 TIMING: 852000 CPU: 3369.34, 0.00395998/step Wall: 3369.34, 0.00395998/step, 1.81279 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 852000 693.4498 1825.6566 1964.5444 110.4297 1.2176 -1106.0744 0.0000 0.0000 2814.6262 6303.8498 310.8833 3489.2236 6336.7612 302.4051 PRESSURE: 852200 0 0 0 0 0 0 0 0 0 GPRESSURE: 852200 0 0 0 0 0 0 0 0 0 PRESSAVG: 852200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 852200 0 0 0 0 0 0 0 0 0 TIMING: 852200 CPU: 3370.13, 0.00395012/step Wall: 3370.13, 0.00395012/step, 1.80806 hours remaining, 113.171875 MB of memory in use. ENERGY: 852200 630.0126 1871.0725 1952.4709 90.6658 1.1621 -1073.4542 0.0000 0.0000 2708.8084 6180.7381 299.1954 3471.9297 6213.6152 299.0339 LDB: ============= START OF LOAD BALANCING ============== 3373.09 LDB: ============== END OF LOAD BALANCING =============== 3373.09 LDB: =============== DONE WITH MIGRATION ================ 3373.09 LDB: ============= START OF LOAD BALANCING ============== 3373.49 LDB: ============== END OF LOAD BALANCING =============== 3373.49 LDB: =============== DONE WITH MIGRATION ================ 3373.49 PRESSURE: 852400 0 0 0 0 0 0 0 0 0 GPRESSURE: 852400 0 0 0 0 0 0 0 0 0 PRESSAVG: 852400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 852400 0 0 0 0 0 0 0 0 0 TIMING: 852400 CPU: 3370.93, 0.00396434/step Wall: 3370.93, 0.00396434/step, 1.81435 hours remaining, 113.171875 MB of memory in use. ENERGY: 852400 644.1404 1829.0208 1962.6192 102.0749 0.7214 -1072.4326 0.0000 0.0000 2751.8420 6217.9859 303.9486 3466.1439 6253.2303 298.5901 PRESSURE: 852600 0 0 0 0 0 0 0 0 0 GPRESSURE: 852600 0 0 0 0 0 0 0 0 0 PRESSAVG: 852600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 852600 0 0 0 0 0 0 0 0 0 TIMING: 852600 CPU: 3371.72, 0.00395638/step Wall: 3371.72, 0.00395638/step, 1.81048 hours remaining, 113.171875 MB of memory in use. ENERGY: 852600 637.8387 1841.7449 1960.4659 111.0048 1.2521 -1050.3907 0.0000 0.0000 2713.9715 6215.8873 299.7657 3501.9157 6246.8282 298.7407 PRESSURE: 852800 0 0 0 0 0 0 0 0 0 GPRESSURE: 852800 0 0 0 0 0 0 0 0 0 PRESSAVG: 852800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 852800 0 0 0 0 0 0 0 0 0 TIMING: 852800 CPU: 3372.51, 0.00395635/step Wall: 3372.51, 0.00395635/step, 1.81025 hours remaining, 113.171875 MB of memory in use. ENERGY: 852800 650.6876 1873.5355 1964.3149 108.6530 1.2181 -1051.2822 0.0000 0.0000 2729.5848 6276.7118 301.4902 3547.1270 6310.2224 301.6614 PRESSURE: 853000 0 0 0 0 0 0 0 0 0 GPRESSURE: 853000 0 0 0 0 0 0 0 0 0 PRESSAVG: 853000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 853000 0 0 0 0 0 0 0 0 0 TIMING: 853000 CPU: 3373.3, 0.00395694/step Wall: 3373.3, 0.00395694/step, 1.8103 hours remaining, 113.171875 MB of memory in use. ENERGY: 853000 637.8039 1868.8203 1965.9528 106.9949 0.4367 -1067.6768 0.0000 0.0000 2748.7488 6261.0805 303.6070 3512.3317 6300.2024 301.6732 PRESSURE: 853200 0 0 0 0 0 0 0 0 0 GPRESSURE: 853200 0 0 0 0 0 0 0 0 0 PRESSAVG: 853200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 853200 0 0 0 0 0 0 0 0 0 TIMING: 853200 CPU: 3374.09, 0.00394991/step Wall: 3374.09, 0.00394991/step, 1.80686 hours remaining, 113.171875 MB of memory in use. ENERGY: 853200 690.1451 1884.6343 1972.0005 101.3414 0.3982 -1068.9578 0.0000 0.0000 2727.1498 6306.7115 301.2213 3579.5618 6340.0405 300.6981 PRESSURE: 853400 0 0 0 0 0 0 0 0 0 GPRESSURE: 853400 0 0 0 0 0 0 0 0 0 PRESSAVG: 853400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 853400 0 0 0 0 0 0 0 0 0 TIMING: 853400 CPU: 3374.88, 0.00395637/step Wall: 3374.88, 0.00395637/step, 1.8096 hours remaining, 113.171875 MB of memory in use. ENERGY: 853400 690.2371 1832.7926 1975.9076 109.1700 2.2922 -1040.3123 0.0000 0.0000 2759.1341 6329.2211 304.7540 3570.0870 6364.2301 302.2218 PRESSURE: 853600 0 0 0 0 0 0 0 0 0 GPRESSURE: 853600 0 0 0 0 0 0 0 0 0 PRESSAVG: 853600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 853600 0 0 0 0 0 0 0 0 0 TIMING: 853600 CPU: 3375.67, 0.00395573/step Wall: 3375.67, 0.00395573/step, 1.80909 hours remaining, 113.171875 MB of memory in use. ENERGY: 853600 686.0086 1852.6271 1969.7277 101.4481 1.8446 -1039.4068 0.0000 0.0000 2738.1959 6310.4450 302.4414 3572.2492 6340.9149 301.1048 PRESSURE: 853800 0 0 0 0 0 0 0 0 0 GPRESSURE: 853800 0 0 0 0 0 0 0 0 0 PRESSAVG: 853800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 853800 0 0 0 0 0 0 0 0 0 TIMING: 853800 CPU: 3376.46, 0.00395558/step Wall: 3376.46, 0.00395558/step, 1.8088 hours remaining, 113.171875 MB of memory in use. ENERGY: 853800 707.9951 1851.0149 1998.2059 110.0209 1.2420 -1064.9201 0.0000 0.0000 2715.2905 6318.8491 299.9114 3603.5586 6352.5412 302.0851 PRESSURE: 854000 0 0 0 0 0 0 0 0 0 GPRESSURE: 854000 0 0 0 0 0 0 0 0 0 PRESSAVG: 854000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 854000 0 0 0 0 0 0 0 0 0 TIMING: 854000 CPU: 3377.25, 0.00395001/step Wall: 3377.25, 0.00395001/step, 1.80603 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 854000 649.7642 1884.2838 1972.1648 95.9412 2.8462 -1044.5708 0.0000 0.0000 2743.0576 6303.4870 302.9783 3560.4295 6335.5196 302.9068 PRESSURE: 854200 0 0 0 0 0 0 0 0 0 GPRESSURE: 854200 0 0 0 0 0 0 0 0 0 PRESSAVG: 854200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 854200 0 0 0 0 0 0 0 0 0 TIMING: 854200 CPU: 3378.04, 0.00395722/step Wall: 3378.04, 0.00395722/step, 1.80911 hours remaining, 113.171875 MB of memory in use. ENERGY: 854200 651.6785 1871.4153 1995.4182 110.4812 1.8007 -1014.6011 0.0000 0.0000 2737.4801 6353.6730 302.3623 3616.1929 6386.2758 303.6509 PRESSURE: 854400 0 0 0 0 0 0 0 0 0 GPRESSURE: 854400 0 0 0 0 0 0 0 0 0 PRESSAVG: 854400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 854400 0 0 0 0 0 0 0 0 0 TIMING: 854400 CPU: 3378.84, 0.00395915/step Wall: 3378.84, 0.00395915/step, 1.80977 hours remaining, 113.171875 MB of memory in use. ENERGY: 854400 627.1697 1820.8713 2000.2006 111.0560 1.0137 -995.3892 0.0000 0.0000 2698.6635 6263.5856 298.0749 3564.9220 6299.8408 301.9074 PRESSURE: 854600 0 0 0 0 0 0 0 0 0 GPRESSURE: 854600 0 0 0 0 0 0 0 0 0 PRESSAVG: 854600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 854600 0 0 0 0 0 0 0 0 0 TIMING: 854600 CPU: 3379.63, 0.00395362/step Wall: 3379.63, 0.00395362/step, 1.80702 hours remaining, 113.171875 MB of memory in use. ENERGY: 854600 642.8894 1867.5123 1981.7720 101.9059 2.1147 -1043.3794 0.0000 0.0000 2743.9416 6296.7564 303.0760 3552.8148 6329.4394 300.4117 PRESSURE: 854800 0 0 0 0 0 0 0 0 0 GPRESSURE: 854800 0 0 0 0 0 0 0 0 0 PRESSAVG: 854800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 854800 0 0 0 0 0 0 0 0 0 TIMING: 854800 CPU: 3380.42, 0.00395315/step Wall: 3380.42, 0.00395315/step, 1.80659 hours remaining, 113.171875 MB of memory in use. ENERGY: 854800 715.2952 1829.6638 1988.4838 116.2612 1.8658 -1073.7049 0.0000 0.0000 2774.3139 6352.1787 306.4307 3577.8647 6385.9909 303.2147 PRESSURE: 855000 0 0 0 0 0 0 0 0 0 GPRESSURE: 855000 0 0 0 0 0 0 0 0 0 PRESSAVG: 855000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 855000 0 0 0 0 0 0 0 0 0 TIMING: 855000 CPU: 3381.21, 0.00395135/step Wall: 3381.21, 0.00395135/step, 1.80555 hours remaining, 113.171875 MB of memory in use. ENERGY: 855000 664.2627 1864.6189 2014.2148 111.1298 0.4140 -1091.8112 0.0000 0.0000 2766.5215 6329.3505 305.5700 3562.8289 6364.0609 303.7263 PRESSURE: 855200 0 0 0 0 0 0 0 0 0 GPRESSURE: 855200 0 0 0 0 0 0 0 0 0 PRESSAVG: 855200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 855200 0 0 0 0 0 0 0 0 0 TIMING: 855200 CPU: 3382, 0.0039529/step Wall: 3382, 0.0039529/step, 1.80604 hours remaining, 113.171875 MB of memory in use. ENERGY: 855200 632.1560 1898.5163 2004.5755 106.9051 1.4116 -1056.3618 0.0000 0.0000 2753.5778 6340.7805 304.1403 3587.2028 6376.5599 305.0518 PRESSURE: 855400 0 0 0 0 0 0 0 0 0 GPRESSURE: 855400 0 0 0 0 0 0 0 0 0 PRESSAVG: 855400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 855400 0 0 0 0 0 0 0 0 0 TIMING: 855400 CPU: 3382.79, 0.00395265/step Wall: 3382.79, 0.00395265/step, 1.8057 hours remaining, 113.171875 MB of memory in use. ENERGY: 855400 636.8090 1858.6081 1979.3109 113.0224 1.2715 -999.3178 0.0000 0.0000 2682.5491 6272.2532 296.2950 3589.7041 6305.5828 301.2600 PRESSURE: 855600 0 0 0 0 0 0 0 0 0 GPRESSURE: 855600 0 0 0 0 0 0 0 0 0 PRESSAVG: 855600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 855600 0 0 0 0 0 0 0 0 0 TIMING: 855600 CPU: 3383.58, 0.00395294/step Wall: 3383.58, 0.00395294/step, 1.80561 hours remaining, 113.171875 MB of memory in use. ENERGY: 855600 634.8869 1893.5459 2009.8244 97.9907 1.3212 -1049.5883 0.0000 0.0000 2756.1517 6344.1325 304.4246 3587.9808 6380.2759 303.1515 PRESSURE: 855800 0 0 0 0 0 0 0 0 0 GPRESSURE: 855800 0 0 0 0 0 0 0 0 0 PRESSAVG: 855800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 855800 0 0 0 0 0 0 0 0 0 TIMING: 855800 CPU: 3384.37, 0.00395333/step Wall: 3384.37, 0.00395333/step, 1.80558 hours remaining, 113.171875 MB of memory in use. ENERGY: 855800 666.4620 1902.5033 2001.0428 108.3794 -0.1991 -1057.3907 0.0000 0.0000 2776.2413 6397.0390 306.6436 3620.7977 6429.8811 305.5363 PRESSURE: 856000 0 0 0 0 0 0 0 0 0 GPRESSURE: 856000 0 0 0 0 0 0 0 0 0 PRESSAVG: 856000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 856000 0 0 0 0 0 0 0 0 0 TIMING: 856000 CPU: 3385.16, 0.0039497/step Wall: 3385.16, 0.0039497/step, 1.80369 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 856000 647.0743 1840.2855 1982.8011 110.3756 0.5026 -1036.5597 0.0000 0.0000 2844.3035 6388.7829 314.1612 3544.4794 6425.9948 308.6787 PRESSURE: 856200 0 0 0 0 0 0 0 0 0 GPRESSURE: 856200 0 0 0 0 0 0 0 0 0 PRESSAVG: 856200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 856200 0 0 0 0 0 0 0 0 0 TIMING: 856200 CPU: 3385.95, 0.0039518/step Wall: 3385.95, 0.0039518/step, 1.80444 hours remaining, 113.171875 MB of memory in use. ENERGY: 856200 644.3987 1917.7227 1979.3406 113.4007 -0.5572 -1047.0590 0.0000 0.0000 2808.2097 6415.4563 310.1746 3607.2465 6451.6460 307.7326 LDB: ============= START OF LOAD BALANCING ============== 3388.91 LDB: ============== END OF LOAD BALANCING =============== 3388.91 LDB: =============== DONE WITH MIGRATION ================ 3388.91 LDB: ============= START OF LOAD BALANCING ============== 3389.31 LDB: ============== END OF LOAD BALANCING =============== 3389.31 LDB: =============== DONE WITH MIGRATION ================ 3389.31 PRESSURE: 856400 0 0 0 0 0 0 0 0 0 GPRESSURE: 856400 0 0 0 0 0 0 0 0 0 PRESSAVG: 856400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 856400 0 0 0 0 0 0 0 0 0 TIMING: 856400 CPU: 3386.74, 0.0039578/step Wall: 3386.74, 0.0039578/step, 1.80696 hours remaining, 113.171875 MB of memory in use. ENERGY: 856400 683.9078 1876.0627 1984.3110 100.8849 -0.0543 -1012.7351 0.0000 0.0000 2695.1978 6327.5748 297.6921 3632.3770 6359.9270 305.2211 PRESSURE: 856600 0 0 0 0 0 0 0 0 0 GPRESSURE: 856600 0 0 0 0 0 0 0 0 0 PRESSAVG: 856600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 856600 0 0 0 0 0 0 0 0 0 TIMING: 856600 CPU: 3387.53, 0.00395334/step Wall: 3387.53, 0.00395334/step, 1.8047 hours remaining, 113.171875 MB of memory in use. ENERGY: 856600 637.2864 1795.5114 1992.4352 107.6741 0.0877 -1028.4506 0.0000 0.0000 2791.9835 6296.5277 308.3824 3504.5442 6332.8336 300.5244 PRESSURE: 856800 0 0 0 0 0 0 0 0 0 GPRESSURE: 856800 0 0 0 0 0 0 0 0 0 PRESSAVG: 856800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 856800 0 0 0 0 0 0 0 0 0 TIMING: 856800 CPU: 3388.32, 0.0039527/step Wall: 3388.32, 0.0039527/step, 1.80419 hours remaining, 113.171875 MB of memory in use. ENERGY: 856800 657.1357 1864.1995 1956.5405 113.6077 -1.5066 -1031.1473 0.0000 0.0000 2797.2410 6356.0704 308.9631 3558.8295 6391.7160 303.9492 PRESSURE: 857000 0 0 0 0 0 0 0 0 0 GPRESSURE: 857000 0 0 0 0 0 0 0 0 0 PRESSAVG: 857000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 857000 0 0 0 0 0 0 0 0 0 TIMING: 857000 CPU: 3389.11, 0.0039509/step Wall: 3389.11, 0.0039509/step, 1.80315 hours remaining, 113.171875 MB of memory in use. ENERGY: 857000 663.3420 1831.2152 1976.6731 110.0935 -0.3851 -1046.9464 0.0000 0.0000 2777.2726 6311.2649 306.7575 3533.9924 6345.0620 304.5231 PRESSURE: 857200 0 0 0 0 0 0 0 0 0 GPRESSURE: 857200 0 0 0 0 0 0 0 0 0 PRESSAVG: 857200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 857200 0 0 0 0 0 0 0 0 0 TIMING: 857200 CPU: 3389.9, 0.00395287/step Wall: 3389.9, 0.00395287/step, 1.80382 hours remaining, 113.171875 MB of memory in use. ENERGY: 857200 663.0877 1832.4297 1992.2773 106.4635 -1.9709 -1061.2497 0.0000 0.0000 2681.4678 6212.5054 296.1756 3531.0376 6246.2596 301.0361 PRESSURE: 857400 0 0 0 0 0 0 0 0 0 GPRESSURE: 857400 0 0 0 0 0 0 0 0 0 PRESSAVG: 857400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 857400 0 0 0 0 0 0 0 0 0 TIMING: 857400 CPU: 3390.69, 0.00395391/step Wall: 3390.69, 0.00395391/step, 1.80408 hours remaining, 113.171875 MB of memory in use. ENERGY: 857400 628.9095 1812.4278 1993.5018 98.2307 -0.6226 -1052.7894 0.0000 0.0000 2717.1292 6196.7869 300.1145 3479.6577 6231.9761 296.3448 PRESSURE: 857600 0 0 0 0 0 0 0 0 0 GPRESSURE: 857600 0 0 0 0 0 0 0 0 0 PRESSAVG: 857600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 857600 0 0 0 0 0 0 0 0 0 TIMING: 857600 CPU: 3391.49, 0.00395501/step Wall: 3391.49, 0.00395501/step, 1.80436 hours remaining, 113.171875 MB of memory in use. ENERGY: 857600 635.9888 1890.9802 1989.1893 94.4469 -0.1907 -1084.7990 0.0000 0.0000 2658.2828 6183.8984 293.6147 3525.6156 6215.6554 296.2395 PRESSURE: 857800 0 0 0 0 0 0 0 0 0 GPRESSURE: 857800 0 0 0 0 0 0 0 0 0 PRESSAVG: 857800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 857800 0 0 0 0 0 0 0 0 0 TIMING: 857800 CPU: 3392.28, 0.00395058/step Wall: 3392.28, 0.00395058/step, 1.80212 hours remaining, 113.171875 MB of memory in use. ENERGY: 857800 620.0158 1800.6128 2001.7949 109.3985 -0.0615 -1022.8631 0.0000 0.0000 2694.0209 6202.9183 297.5621 3508.8974 6236.7987 297.1808 PRESSURE: 858000 0 0 0 0 0 0 0 0 0 GPRESSURE: 858000 0 0 0 0 0 0 0 0 0 PRESSAVG: 858000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 858000 0 0 0 0 0 0 0 0 0 TIMING: 858000 CPU: 3393.07, 0.00395335/step Wall: 3393.07, 0.00395335/step, 1.80317 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 858000 655.1822 1846.7251 1984.6281 101.8086 -0.5676 -1044.0763 0.0000 0.0000 2692.5836 6236.2837 297.4034 3543.7001 6269.3979 297.8451 PRESSURE: 858200 0 0 0 0 0 0 0 0 0 GPRESSURE: 858200 0 0 0 0 0 0 0 0 0 PRESSAVG: 858200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 858200 0 0 0 0 0 0 0 0 0 TIMING: 858200 CPU: 3393.86, 0.00395278/step Wall: 3393.86, 0.00395278/step, 1.80269 hours remaining, 113.171875 MB of memory in use. ENERGY: 858200 659.9418 1793.0887 1997.3875 113.6132 0.4277 -1039.8306 0.0000 0.0000 2713.7780 6238.4063 299.7443 3524.6283 6272.0122 300.5421 PRESSURE: 858400 0 0 0 0 0 0 0 0 0 GPRESSURE: 858400 0 0 0 0 0 0 0 0 0 PRESSAVG: 858400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 858400 0 0 0 0 0 0 0 0 0 TIMING: 858400 CPU: 3394.65, 0.0039528/step Wall: 3394.65, 0.0039528/step, 1.80248 hours remaining, 113.171875 MB of memory in use. ENERGY: 858400 663.3334 1839.7888 1964.8788 101.0613 -0.3985 -1042.2275 0.0000 0.0000 2659.8613 6186.2977 293.7891 3526.4363 6217.9369 298.4328 PRESSURE: 858600 0 0 0 0 0 0 0 0 0 GPRESSURE: 858600 0 0 0 0 0 0 0 0 0 PRESSAVG: 858600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 858600 0 0 0 0 0 0 0 0 0 TIMING: 858600 CPU: 3395.44, 0.00395337/step Wall: 3395.44, 0.00395337/step, 1.80251 hours remaining, 113.171875 MB of memory in use. ENERGY: 858600 650.1644 1872.1940 1962.1980 115.3439 -0.0697 -1030.9901 0.0000 0.0000 2725.4730 6294.3135 301.0361 3568.8405 6329.5772 299.7548 PRESSURE: 858800 0 0 0 0 0 0 0 0 0 GPRESSURE: 858800 0 0 0 0 0 0 0 0 0 PRESSAVG: 858800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 858800 0 0 0 0 0 0 0 0 0 TIMING: 858800 CPU: 3396.23, 0.00395059/step Wall: 3396.23, 0.00395059/step, 1.80103 hours remaining, 113.171875 MB of memory in use. ENERGY: 858800 677.5481 1863.5345 1968.6311 116.7763 -0.9425 -1055.5094 0.0000 0.0000 2750.7302 6320.7683 303.8258 3570.0382 6356.0814 302.2148 PRESSURE: 859000 0 0 0 0 0 0 0 0 0 GPRESSURE: 859000 0 0 0 0 0 0 0 0 0 PRESSAVG: 859000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 859000 0 0 0 0 0 0 0 0 0 TIMING: 859000 CPU: 3397.02, 0.00395528/step Wall: 3397.02, 0.00395528/step, 1.80295 hours remaining, 113.171875 MB of memory in use. ENERGY: 859000 671.1281 1884.5769 1982.5828 106.8432 0.0515 -1066.6568 0.0000 0.0000 2739.3612 6317.8870 302.5701 3578.5258 6351.6719 303.6430 PRESSURE: 859200 0 0 0 0 0 0 0 0 0 GPRESSURE: 859200 0 0 0 0 0 0 0 0 0 PRESSAVG: 859200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 859200 0 0 0 0 0 0 0 0 0 TIMING: 859200 CPU: 3397.81, 0.00395447/step Wall: 3397.81, 0.00395447/step, 1.80236 hours remaining, 113.171875 MB of memory in use. ENERGY: 859200 652.7636 1879.0023 1964.0215 101.2179 0.7224 -1055.4312 0.0000 0.0000 2764.1022 6306.3986 305.3028 3542.2964 6340.8863 302.3577 PRESSURE: 859400 0 0 0 0 0 0 0 0 0 GPRESSURE: 859400 0 0 0 0 0 0 0 0 0 PRESSAVG: 859400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 859400 0 0 0 0 0 0 0 0 0 TIMING: 859400 CPU: 3398.6, 0.00395508/step Wall: 3398.6, 0.00395508/step, 1.80242 hours remaining, 113.171875 MB of memory in use. ENERGY: 859400 667.0351 1841.5671 1984.8446 106.2417 -0.1267 -1041.0385 0.0000 0.0000 2747.8855 6306.4087 303.5116 3558.5232 6340.2088 301.8124 PRESSURE: 859600 0 0 0 0 0 0 0 0 0 GPRESSURE: 859600 0 0 0 0 0 0 0 0 0 PRESSAVG: 859600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 859600 0 0 0 0 0 0 0 0 0 TIMING: 859600 CPU: 3399.39, 0.00395278/step Wall: 3399.39, 0.00395278/step, 1.80115 hours remaining, 113.171875 MB of memory in use. ENERGY: 859600 656.9384 1887.0396 1972.2616 106.2031 0.4273 -1082.6689 0.0000 0.0000 2786.1815 6326.3827 307.7415 3540.2012 6360.7653 302.6749 PRESSURE: 859800 0 0 0 0 0 0 0 0 0 GPRESSURE: 859800 0 0 0 0 0 0 0 0 0 PRESSAVG: 859800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 859800 0 0 0 0 0 0 0 0 0 TIMING: 859800 CPU: 3400.18, 0.0039484/step Wall: 3400.18, 0.0039484/step, 1.79893 hours remaining, 113.171875 MB of memory in use. ENERGY: 859800 658.2097 1862.9101 1972.6847 105.0541 0.0461 -1076.9565 0.0000 0.0000 2752.5770 6274.5251 304.0298 3521.9482 6311.2104 301.3497 PRESSURE: 860000 0 0 0 0 0 0 0 0 0 GPRESSURE: 860000 0 0 0 0 0 0 0 0 0 PRESSAVG: 860000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 860000 0 0 0 0 0 0 0 0 0 TIMING: 860000 CPU: 3400.97, 0.0039528/step Wall: 3400.97, 0.0039528/step, 1.80072 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 860000 605.2218 1863.0926 2017.8929 134.9374 -0.8543 -1070.6415 0.0000 0.0000 2705.1580 6254.8070 298.7922 3549.6489 6286.1416 300.6406 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 860000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 860000 WRITING COORDINATES TO RESTART FILE AT STEP 860000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 860000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 860200 0 0 0 0 0 0 0 0 0 GPRESSURE: 860200 0 0 0 0 0 0 0 0 0 PRESSAVG: 860200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 860200 0 0 0 0 0 0 0 0 0 TIMING: 860200 CPU: 3401.8, 0.0041382/step Wall: 3401.8, 0.0041382/step, 1.88495 hours remaining, 113.171875 MB of memory in use. ENERGY: 860200 646.2487 1841.7849 1990.9143 111.2827 -0.0155 -1067.2705 0.0000 0.0000 2742.8402 6265.7849 302.9543 3522.9447 6298.5771 302.9260 LDB: ============= START OF LOAD BALANCING ============== 3404.76 LDB: ============== END OF LOAD BALANCING =============== 3404.76 LDB: =============== DONE WITH MIGRATION ================ 3404.76 LDB: ============= START OF LOAD BALANCING ============== 3405.16 LDB: ============== END OF LOAD BALANCING =============== 3405.16 LDB: =============== DONE WITH MIGRATION ================ 3405.16 PRESSURE: 860400 0 0 0 0 0 0 0 0 0 GPRESSURE: 860400 0 0 0 0 0 0 0 0 0 PRESSAVG: 860400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 860400 0 0 0 0 0 0 0 0 0 TIMING: 860400 CPU: 3402.59, 0.00397133/step Wall: 3402.59, 0.00397133/step, 1.80872 hours remaining, 113.171875 MB of memory in use. ENERGY: 860400 673.1245 1825.9426 1993.4581 112.3633 0.2159 -1069.4996 0.0000 0.0000 2725.6368 6261.2417 301.0542 3535.6049 6295.2993 300.5779 PRESSURE: 860600 0 0 0 0 0 0 0 0 0 GPRESSURE: 860600 0 0 0 0 0 0 0 0 0 PRESSAVG: 860600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 860600 0 0 0 0 0 0 0 0 0 TIMING: 860600 CPU: 3403.39, 0.00395682/step Wall: 3403.39, 0.00395682/step, 1.80189 hours remaining, 113.171875 MB of memory in use. ENERGY: 860600 640.7355 1863.6807 1967.7056 107.8100 -0.5437 -1062.2241 0.0000 0.0000 2686.4425 6203.6065 296.7251 3517.1641 6235.1917 299.3026 PRESSURE: 860800 0 0 0 0 0 0 0 0 0 GPRESSURE: 860800 0 0 0 0 0 0 0 0 0 PRESSAVG: 860800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 860800 0 0 0 0 0 0 0 0 0 TIMING: 860800 CPU: 3404.18, 0.00395086/step Wall: 3404.18, 0.00395086/step, 1.79896 hours remaining, 113.171875 MB of memory in use. ENERGY: 860800 630.4451 1820.3661 1991.9966 109.0975 0.0200 -1026.4482 0.0000 0.0000 2702.3624 6227.8395 298.4835 3525.4771 6261.2449 297.9179 PRESSURE: 861000 0 0 0 0 0 0 0 0 0 GPRESSURE: 861000 0 0 0 0 0 0 0 0 0 PRESSAVG: 861000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 861000 0 0 0 0 0 0 0 0 0 TIMING: 861000 CPU: 3404.97, 0.00395345/step Wall: 3404.97, 0.00395345/step, 1.79992 hours remaining, 113.171875 MB of memory in use. ENERGY: 861000 639.1800 1834.5647 1957.9106 104.9939 -1.4826 -1053.7601 0.0000 0.0000 2692.7471 6174.1537 297.4214 3481.4065 6207.8380 295.9138 PRESSURE: 861200 0 0 0 0 0 0 0 0 0 GPRESSURE: 861200 0 0 0 0 0 0 0 0 0 PRESSAVG: 861200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 861200 0 0 0 0 0 0 0 0 0 TIMING: 861200 CPU: 3405.76, 0.00395401/step Wall: 3405.76, 0.00395401/step, 1.79996 hours remaining, 113.171875 MB of memory in use. ENERGY: 861200 643.1737 1845.5475 1970.9965 103.7569 0.0233 -1088.6300 0.0000 0.0000 2701.3151 6176.1830 298.3678 3474.8679 6209.9712 297.6614 PRESSURE: 861400 0 0 0 0 0 0 0 0 0 GPRESSURE: 861400 0 0 0 0 0 0 0 0 0 PRESSAVG: 861400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 861400 0 0 0 0 0 0 0 0 0 TIMING: 861400 CPU: 3406.55, 0.00395358/step Wall: 3406.55, 0.00395358/step, 1.79954 hours remaining, 113.171875 MB of memory in use. ENERGY: 861400 657.7603 1892.4317 1973.0735 109.0799 -1.1171 -1079.9090 0.0000 0.0000 2696.3271 6247.6463 297.8168 3551.3192 6279.7143 297.9028 PRESSURE: 861600 0 0 0 0 0 0 0 0 0 GPRESSURE: 861600 0 0 0 0 0 0 0 0 0 PRESSAVG: 861600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 861600 0 0 0 0 0 0 0 0 0 TIMING: 861600 CPU: 3407.34, 0.00395137/step Wall: 3407.34, 0.00395137/step, 1.79831 hours remaining, 113.171875 MB of memory in use. ENERGY: 861600 672.1895 1851.6661 1990.0862 109.0248 -0.1585 -1057.5901 0.0000 0.0000 2696.4062 6261.6241 297.8256 3565.2180 6295.5140 300.5384 PRESSURE: 861800 0 0 0 0 0 0 0 0 0 GPRESSURE: 861800 0 0 0 0 0 0 0 0 0 PRESSAVG: 861800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 861800 0 0 0 0 0 0 0 0 0 TIMING: 861800 CPU: 3408.13, 0.00394878/step Wall: 3408.13, 0.00394878/step, 1.79691 hours remaining, 113.171875 MB of memory in use. ENERGY: 861800 644.8809 1871.1284 1958.4451 111.8852 -0.0833 -1038.8119 0.0000 0.0000 2703.2316 6250.6760 298.5795 3547.4444 6279.3014 299.1212 PRESSURE: 862000 0 0 0 0 0 0 0 0 0 GPRESSURE: 862000 0 0 0 0 0 0 0 0 0 PRESSAVG: 862000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 862000 0 0 0 0 0 0 0 0 0 TIMING: 862000 CPU: 3408.92, 0.00395139/step Wall: 3408.92, 0.00395139/step, 1.79788 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 862000 672.2888 1814.6237 2013.3925 122.1980 0.4683 -1074.6043 0.0000 0.0000 2672.7809 6221.1479 295.2161 3548.3670 6254.4334 299.2971 PRESSURE: 862200 0 0 0 0 0 0 0 0 0 GPRESSURE: 862200 0 0 0 0 0 0 0 0 0 PRESSAVG: 862200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 862200 0 0 0 0 0 0 0 0 0 TIMING: 862200 CPU: 3409.71, 0.00395235/step Wall: 3409.71, 0.00395235/step, 1.7981 hours remaining, 113.171875 MB of memory in use. ENERGY: 862200 640.0008 1869.8126 1961.7486 112.5642 0.3221 -1093.6455 0.0000 0.0000 2712.4785 6203.2812 299.6008 3490.8028 6236.9531 298.2464 PRESSURE: 862400 0 0 0 0 0 0 0 0 0 GPRESSURE: 862400 0 0 0 0 0 0 0 0 0 PRESSAVG: 862400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 862400 0 0 0 0 0 0 0 0 0 TIMING: 862400 CPU: 3410.5, 0.00395222/step Wall: 3410.5, 0.00395222/step, 1.79782 hours remaining, 113.171875 MB of memory in use. ENERGY: 862400 662.2065 1912.3986 1935.7494 97.6829 0.4824 -1075.3753 0.0000 0.0000 2692.3291 6225.4737 297.3753 3533.1446 6259.0911 299.0506 PRESSURE: 862600 0 0 0 0 0 0 0 0 0 GPRESSURE: 862600 0 0 0 0 0 0 0 0 0 PRESSAVG: 862600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 862600 0 0 0 0 0 0 0 0 0 TIMING: 862600 CPU: 3411.29, 0.00394926/step Wall: 3411.29, 0.00394926/step, 1.79626 hours remaining, 113.171875 MB of memory in use. ENERGY: 862600 670.9888 1885.4255 1967.5708 108.2885 0.7478 -1078.8672 0.0000 0.0000 2680.3922 6234.5466 296.0568 3554.1544 6266.1793 299.1838 PRESSURE: 862800 0 0 0 0 0 0 0 0 0 GPRESSURE: 862800 0 0 0 0 0 0 0 0 0 PRESSAVG: 862800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 862800 0 0 0 0 0 0 0 0 0 TIMING: 862800 CPU: 3412.08, 0.0039532/step Wall: 3412.08, 0.0039532/step, 1.79783 hours remaining, 113.171875 MB of memory in use. ENERGY: 862800 664.5123 1877.0004 1962.6746 95.4671 0.5402 -1090.4343 0.0000 0.0000 2727.3834 6237.1439 301.2471 3509.7605 6270.4503 299.0273 PRESSURE: 863000 0 0 0 0 0 0 0 0 0 GPRESSURE: 863000 0 0 0 0 0 0 0 0 0 PRESSAVG: 863000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 863000 0 0 0 0 0 0 0 0 0 TIMING: 863000 CPU: 3412.87, 0.00395288/step Wall: 3412.87, 0.00395288/step, 1.79746 hours remaining, 113.171875 MB of memory in use. ENERGY: 863000 670.4810 1844.3434 1966.3708 111.5635 0.5413 -1077.9326 0.0000 0.0000 2725.6374 6241.0048 301.0542 3515.3673 6273.7791 299.6917 PRESSURE: 863200 0 0 0 0 0 0 0 0 0 GPRESSURE: 863200 0 0 0 0 0 0 0 0 0 PRESSAVG: 863200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 863200 0 0 0 0 0 0 0 0 0 TIMING: 863200 CPU: 3413.66, 0.00395462/step Wall: 3413.66, 0.00395461/step, 1.79803 hours remaining, 113.171875 MB of memory in use. ENERGY: 863200 667.5691 1892.1342 1974.0542 107.1273 -0.7295 -1066.4935 0.0000 0.0000 2669.4611 6243.1230 294.8494 3573.6619 6274.3877 298.7196 PRESSURE: 863400 0 0 0 0 0 0 0 0 0 GPRESSURE: 863400 0 0 0 0 0 0 0 0 0 PRESSAVG: 863400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 863400 0 0 0 0 0 0 0 0 0 TIMING: 863400 CPU: 3414.45, 0.00395405/step Wall: 3414.45, 0.00395406/step, 1.79756 hours remaining, 113.171875 MB of memory in use. ENERGY: 863400 685.6711 1877.6788 1975.7129 104.1841 0.8678 -1099.0446 0.0000 0.0000 2720.9800 6266.0501 300.5398 3545.0701 6299.0690 299.8520 PRESSURE: 863600 0 0 0 0 0 0 0 0 0 GPRESSURE: 863600 0 0 0 0 0 0 0 0 0 PRESSAVG: 863600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 863600 0 0 0 0 0 0 0 0 0 TIMING: 863600 CPU: 3415.24, 0.00395032/step Wall: 3415.24, 0.00395032/step, 1.79564 hours remaining, 113.171875 MB of memory in use. ENERGY: 863600 695.8726 1803.2640 1974.6824 119.0580 1.0409 -1036.7861 0.0000 0.0000 2723.0509 6280.1826 300.7686 3557.1317 6313.0728 300.9620 PRESSURE: 863800 0 0 0 0 0 0 0 0 0 GPRESSURE: 863800 0 0 0 0 0 0 0 0 0 PRESSAVG: 863800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 863800 0 0 0 0 0 0 0 0 0 TIMING: 863800 CPU: 3416.03, 0.00395581/step Wall: 3416.03, 0.00395581/step, 1.79792 hours remaining, 113.171875 MB of memory in use. ENERGY: 863800 660.5283 1862.5571 1989.6167 100.3121 -0.2023 -1057.2203 0.0000 0.0000 2715.6732 6271.2648 299.9537 3555.5916 6304.6644 301.6429 PRESSURE: 864000 0 0 0 0 0 0 0 0 0 GPRESSURE: 864000 0 0 0 0 0 0 0 0 0 PRESSAVG: 864000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 864000 0 0 0 0 0 0 0 0 0 TIMING: 864000 CPU: 3416.82, 0.00395428/step Wall: 3416.82, 0.00395428/step, 1.797 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 864000 675.0223 1816.5403 1965.5788 101.5183 2.2865 -1059.7929 0.0000 0.0000 2763.7520 6264.9053 305.2641 3501.1533 6299.9594 299.9089 PRESSURE: 864200 0 0 0 0 0 0 0 0 0 GPRESSURE: 864200 0 0 0 0 0 0 0 0 0 PRESSAVG: 864200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 864200 0 0 0 0 0 0 0 0 0 TIMING: 864200 CPU: 3417.61, 0.0039542/step Wall: 3417.61, 0.0039542/step, 1.79674 hours remaining, 113.171875 MB of memory in use. ENERGY: 864200 666.4180 1819.2388 1963.6990 106.4701 0.7519 -1058.3938 0.0000 0.0000 2756.8820 6255.0660 304.5053 3498.1840 6289.5750 300.6086 LDB: ============= START OF LOAD BALANCING ============== 3420.57 LDB: ============== END OF LOAD BALANCING =============== 3420.57 LDB: =============== DONE WITH MIGRATION ================ 3420.57 LDB: ============= START OF LOAD BALANCING ============== 3420.97 LDB: ============== END OF LOAD BALANCING =============== 3420.97 LDB: =============== DONE WITH MIGRATION ================ 3420.97 PRESSURE: 864400 0 0 0 0 0 0 0 0 0 GPRESSURE: 864400 0 0 0 0 0 0 0 0 0 PRESSAVG: 864400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 864400 0 0 0 0 0 0 0 0 0 TIMING: 864400 CPU: 3418.41, 0.00396562/step Wall: 3418.41, 0.00396562/step, 1.80171 hours remaining, 113.171875 MB of memory in use. ENERGY: 864400 671.7482 1845.9084 1983.1147 103.2412 -0.4091 -1040.6321 0.0000 0.0000 2706.6634 6269.6347 298.9585 3562.9713 6300.5364 299.6430 PRESSURE: 864600 0 0 0 0 0 0 0 0 0 GPRESSURE: 864600 0 0 0 0 0 0 0 0 0 PRESSAVG: 864600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 864600 0 0 0 0 0 0 0 0 0 TIMING: 864600 CPU: 3419.2, 0.00394975/step Wall: 3419.2, 0.00394975/step, 1.79429 hours remaining, 113.171875 MB of memory in use. ENERGY: 864600 651.4035 1864.3174 1984.7553 125.8247 1.0885 -1039.0209 0.0000 0.0000 2699.7452 6288.1136 298.1944 3588.3685 6320.0249 300.5975 PRESSURE: 864800 0 0 0 0 0 0 0 0 0 GPRESSURE: 864800 0 0 0 0 0 0 0 0 0 PRESSAVG: 864800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 864800 0 0 0 0 0 0 0 0 0 TIMING: 864800 CPU: 3419.99, 0.00395313/step Wall: 3419.99, 0.00395313/step, 1.7956 hours remaining, 113.171875 MB of memory in use. ENERGY: 864800 667.2160 1826.4492 1987.6162 101.3184 0.8253 -1054.4765 0.0000 0.0000 2714.8523 6243.8009 299.8630 3528.9487 6275.1101 300.6532 PRESSURE: 865000 0 0 0 0 0 0 0 0 0 GPRESSURE: 865000 0 0 0 0 0 0 0 0 0 PRESSAVG: 865000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 865000 0 0 0 0 0 0 0 0 0 TIMING: 865000 CPU: 3420.78, 0.00395264/step Wall: 3420.78, 0.00395264/step, 1.79516 hours remaining, 113.171875 MB of memory in use. ENERGY: 865000 655.4512 1831.0729 1990.9066 104.5832 0.2051 -1047.5287 0.0000 0.0000 2724.5443 6259.2347 300.9335 3534.6904 6292.4024 300.9948 PRESSURE: 865200 0 0 0 0 0 0 0 0 0 GPRESSURE: 865200 0 0 0 0 0 0 0 0 0 PRESSAVG: 865200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 865200 0 0 0 0 0 0 0 0 0 TIMING: 865200 CPU: 3421.57, 0.00395268/step Wall: 3421.57, 0.00395268/step, 1.79496 hours remaining, 113.171875 MB of memory in use. ENERGY: 865200 662.1049 1826.1085 2006.3029 110.3957 0.3719 -1062.7252 0.0000 0.0000 2724.4450 6267.0037 300.9225 3542.5587 6300.8566 300.0109 PRESSURE: 865400 0 0 0 0 0 0 0 0 0 GPRESSURE: 865400 0 0 0 0 0 0 0 0 0 PRESSAVG: 865400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 865400 0 0 0 0 0 0 0 0 0 TIMING: 865400 CPU: 3422.36, 0.00394837/step Wall: 3422.36, 0.00394837/step, 1.79278 hours remaining, 113.171875 MB of memory in use. ENERGY: 865400 668.1032 1843.8695 1978.9944 110.1002 0.6355 -1081.9302 0.0000 0.0000 2711.1817 6230.9543 299.4576 3519.7726 6267.0662 298.9068 PRESSURE: 865600 0 0 0 0 0 0 0 0 0 GPRESSURE: 865600 0 0 0 0 0 0 0 0 0 PRESSAVG: 865600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 865600 0 0 0 0 0 0 0 0 0 TIMING: 865600 CPU: 3423.15, 0.00395247/step Wall: 3423.15, 0.00395247/step, 1.79442 hours remaining, 113.171875 MB of memory in use. ENERGY: 865600 669.0312 1861.6468 1981.7028 108.2763 1.0674 -1065.3237 0.0000 0.0000 2731.8700 6288.2708 301.7427 3556.4008 6320.2874 300.8664 PRESSURE: 865800 0 0 0 0 0 0 0 0 0 GPRESSURE: 865800 0 0 0 0 0 0 0 0 0 PRESSAVG: 865800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 865800 0 0 0 0 0 0 0 0 0 TIMING: 865800 CPU: 3423.94, 0.00395123/step Wall: 3423.94, 0.00395123/step, 1.79364 hours remaining, 113.171875 MB of memory in use. ENERGY: 865800 663.2467 1830.0702 1983.8857 106.9715 -0.1405 -1041.7153 0.0000 0.0000 2762.3174 6304.6358 305.1057 3542.3183 6336.9086 301.1457 PRESSURE: 866000 0 0 0 0 0 0 0 0 0 GPRESSURE: 866000 0 0 0 0 0 0 0 0 0 PRESSAVG: 866000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 866000 0 0 0 0 0 0 0 0 0 TIMING: 866000 CPU: 3424.73, 0.00395166/step Wall: 3424.73, 0.00395166/step, 1.79361 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 866000 650.1912 1887.3748 2001.8359 111.6258 0.4064 -1040.1759 0.0000 0.0000 2698.9177 6310.1759 298.1030 3611.2582 6341.6568 302.9109 PRESSURE: 866200 0 0 0 0 0 0 0 0 0 GPRESSURE: 866200 0 0 0 0 0 0 0 0 0 PRESSAVG: 866200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 866200 0 0 0 0 0 0 0 0 0 TIMING: 866200 CPU: 3425.52, 0.00395249/step Wall: 3425.52, 0.00395249/step, 1.79377 hours remaining, 113.171875 MB of memory in use. ENERGY: 866200 649.0282 1840.9345 1975.5290 120.0797 -0.9428 -1042.7876 0.0000 0.0000 2752.2813 6294.1224 303.9971 3541.8411 6329.8880 303.3746 PRESSURE: 866400 0 0 0 0 0 0 0 0 0 GPRESSURE: 866400 0 0 0 0 0 0 0 0 0 PRESSAVG: 866400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 866400 0 0 0 0 0 0 0 0 0 TIMING: 866400 CPU: 3426.31, 0.00394961/step Wall: 3426.31, 0.00394961/step, 1.79224 hours remaining, 113.171875 MB of memory in use. ENERGY: 866400 693.2450 1836.7693 2015.4288 105.8869 -0.3418 -1056.6081 0.0000 0.0000 2687.1647 6281.5447 296.8048 3594.3801 6311.2320 301.7099 PRESSURE: 866600 0 0 0 0 0 0 0 0 0 GPRESSURE: 866600 0 0 0 0 0 0 0 0 0 PRESSAVG: 866600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 866600 0 0 0 0 0 0 0 0 0 TIMING: 866600 CPU: 3427.1, 0.00395215/step Wall: 3427.1, 0.00395215/step, 1.79318 hours remaining, 113.171875 MB of memory in use. ENERGY: 866600 661.7444 1879.9616 1968.4608 123.5256 0.4956 -1059.1438 0.0000 0.0000 2667.5142 6242.5584 294.6344 3575.0442 6271.9884 300.0258 PRESSURE: 866800 0 0 0 0 0 0 0 0 0 GPRESSURE: 866800 0 0 0 0 0 0 0 0 0 PRESSAVG: 866800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 866800 0 0 0 0 0 0 0 0 0 TIMING: 866800 CPU: 3427.89, 0.00395056/step Wall: 3427.89, 0.00395056/step, 1.79224 hours remaining, 113.171875 MB of memory in use. ENERGY: 866800 670.0401 1855.8723 2007.2340 109.2828 0.2325 -1094.2178 0.0000 0.0000 2710.5372 6258.9811 299.3864 3548.4439 6290.9456 301.1358 PRESSURE: 867000 0 0 0 0 0 0 0 0 0 GPRESSURE: 867000 0 0 0 0 0 0 0 0 0 PRESSAVG: 867000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 867000 0 0 0 0 0 0 0 0 0 TIMING: 867000 CPU: 3428.68, 0.00395118/step Wall: 3428.68, 0.00395118/step, 1.7923 hours remaining, 113.171875 MB of memory in use. ENERGY: 867000 672.0262 1845.2259 1996.5095 95.7477 1.3285 -1036.2355 0.0000 0.0000 2702.1472 6276.7495 298.4597 3574.6023 6310.4878 300.6231 PRESSURE: 867200 0 0 0 0 0 0 0 0 0 GPRESSURE: 867200 0 0 0 0 0 0 0 0 0 PRESSAVG: 867200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 867200 0 0 0 0 0 0 0 0 0 TIMING: 867200 CPU: 3429.47, 0.00395108/step Wall: 3429.47, 0.00395108/step, 1.79203 hours remaining, 113.171875 MB of memory in use. ENERGY: 867200 685.4545 1886.6745 1976.0583 101.3988 -0.2994 -1057.8372 0.0000 0.0000 2674.9398 6266.3894 295.4546 3591.4495 6297.2862 300.8191 PRESSURE: 867400 0 0 0 0 0 0 0 0 0 GPRESSURE: 867400 0 0 0 0 0 0 0 0 0 PRESSAVG: 867400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 867400 0 0 0 0 0 0 0 0 0 TIMING: 867400 CPU: 3430.26, 0.00394719/step Wall: 3430.26, 0.00394719/step, 1.79005 hours remaining, 113.171875 MB of memory in use. ENERGY: 867400 673.2415 1874.1576 1991.1712 106.9668 0.9300 -1084.5782 0.0000 0.0000 2753.2680 6315.1570 304.1061 3561.8890 6348.1023 301.4073 PRESSURE: 867600 0 0 0 0 0 0 0 0 0 GPRESSURE: 867600 0 0 0 0 0 0 0 0 0 PRESSAVG: 867600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 867600 0 0 0 0 0 0 0 0 0 TIMING: 867600 CPU: 3431.05, 0.0039528/step Wall: 3431.05, 0.0039528/step, 1.79237 hours remaining, 113.171875 MB of memory in use. ENERGY: 867600 680.0854 1853.4208 1987.5601 110.3143 -0.3601 -1088.1596 0.0000 0.0000 2731.8624 6274.7234 301.7418 3542.8610 6308.0300 301.7523 PRESSURE: 867800 0 0 0 0 0 0 0 0 0 GPRESSURE: 867800 0 0 0 0 0 0 0 0 0 PRESSAVG: 867800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 867800 0 0 0 0 0 0 0 0 0 TIMING: 867800 CPU: 3431.84, 0.00395241/step Wall: 3431.84, 0.00395241/step, 1.79198 hours remaining, 113.171875 MB of memory in use. ENERGY: 867800 693.5487 1848.5146 1997.7556 103.1249 0.2960 -1069.1590 0.0000 0.0000 2688.7260 6262.8069 296.9773 3574.0809 6294.8898 301.9025 PRESSURE: 868000 0 0 0 0 0 0 0 0 0 GPRESSURE: 868000 0 0 0 0 0 0 0 0 0 PRESSAVG: 868000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 868000 0 0 0 0 0 0 0 0 0 TIMING: 868000 CPU: 3432.63, 0.00395436/step Wall: 3432.63, 0.00395436/step, 1.79264 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 868000 677.5124 1777.1348 1965.1932 106.4155 1.1423 -1071.2914 0.0000 0.0000 2773.4450 6229.5518 306.3347 3456.1068 6265.0619 301.4658 PRESSURE: 868200 0 0 0 0 0 0 0 0 0 GPRESSURE: 868200 0 0 0 0 0 0 0 0 0 PRESSAVG: 868200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 868200 0 0 0 0 0 0 0 0 0 TIMING: 868200 CPU: 3433.42, 0.00395391/step Wall: 3433.42, 0.00395391/step, 1.79222 hours remaining, 113.171875 MB of memory in use. ENERGY: 868200 635.1377 1833.2755 1986.7815 115.0056 1.2088 -1056.7303 0.0000 0.0000 2727.7123 6242.3909 301.2834 3514.6787 6276.5391 299.8092 LDB: ============= START OF LOAD BALANCING ============== 3436.38 LDB: ============== END OF LOAD BALANCING =============== 3436.38 LDB: =============== DONE WITH MIGRATION ================ 3436.38 LDB: ============= START OF LOAD BALANCING ============== 3436.78 LDB: ============== END OF LOAD BALANCING =============== 3436.78 LDB: =============== DONE WITH MIGRATION ================ 3436.78 PRESSURE: 868400 0 0 0 0 0 0 0 0 0 GPRESSURE: 868400 0 0 0 0 0 0 0 0 0 PRESSAVG: 868400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 868400 0 0 0 0 0 0 0 0 0 TIMING: 868400 CPU: 3434.21, 0.0039534/step Wall: 3434.21, 0.0039534/step, 1.79177 hours remaining, 113.171875 MB of memory in use. ENERGY: 868400 668.8852 1909.5075 1974.6874 109.0503 0.9558 -1074.2214 0.0000 0.0000 2675.7442 6264.6089 295.5434 3588.8647 6295.9269 300.1883 PRESSURE: 868600 0 0 0 0 0 0 0 0 0 GPRESSURE: 868600 0 0 0 0 0 0 0 0 0 PRESSAVG: 868600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 868600 0 0 0 0 0 0 0 0 0 TIMING: 868600 CPU: 3435.01, 0.00395308/step Wall: 3435.01, 0.00395308/step, 1.7914 hours remaining, 113.171875 MB of memory in use. ENERGY: 868600 622.6635 1902.6677 1993.6683 111.0954 -0.3675 -1086.3767 0.0000 0.0000 2770.9640 6314.3146 306.0607 3543.3506 6349.3978 301.5947 PRESSURE: 868800 0 0 0 0 0 0 0 0 0 GPRESSURE: 868800 0 0 0 0 0 0 0 0 0 PRESSAVG: 868800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 868800 0 0 0 0 0 0 0 0 0 TIMING: 868800 CPU: 3435.8, 0.00395416/step Wall: 3435.8, 0.00395416/step, 1.79167 hours remaining, 113.171875 MB of memory in use. ENERGY: 868800 671.7126 1887.3305 2004.0705 113.1285 -0.4349 -1068.9706 0.0000 0.0000 2728.2858 6335.1225 301.3468 3606.8367 6368.0690 303.8683 PRESSURE: 869000 0 0 0 0 0 0 0 0 0 GPRESSURE: 869000 0 0 0 0 0 0 0 0 0 PRESSAVG: 869000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 869000 0 0 0 0 0 0 0 0 0 TIMING: 869000 CPU: 3436.59, 0.0039542/step Wall: 3436.59, 0.0039542/step, 1.79147 hours remaining, 113.171875 MB of memory in use. ENERGY: 869000 675.2678 1890.9527 2018.4652 108.7413 2.3996 -1075.0153 0.0000 0.0000 2703.4319 6324.2431 298.6016 3620.8111 6355.3950 305.8381 PRESSURE: 869200 0 0 0 0 0 0 0 0 0 GPRESSURE: 869200 0 0 0 0 0 0 0 0 0 PRESSAVG: 869200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 869200 0 0 0 0 0 0 0 0 0 TIMING: 869200 CPU: 3437.38, 0.00394976/step Wall: 3437.38, 0.00394976/step, 1.78924 hours remaining, 113.171875 MB of memory in use. ENERGY: 869200 664.3224 1813.2868 2013.5273 93.3992 0.5052 -1089.6684 0.0000 0.0000 2768.8069 6264.1794 305.8224 3495.3725 6298.6969 303.5398 PRESSURE: 869400 0 0 0 0 0 0 0 0 0 GPRESSURE: 869400 0 0 0 0 0 0 0 0 0 PRESSAVG: 869400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 869400 0 0 0 0 0 0 0 0 0 TIMING: 869400 CPU: 3438.17, 0.0039542/step Wall: 3438.17, 0.0039542/step, 1.79103 hours remaining, 113.171875 MB of memory in use. ENERGY: 869400 632.2075 1821.8977 1982.5484 110.0584 0.7634 -1056.4957 0.0000 0.0000 2767.6051 6258.5848 305.6897 3490.9797 6292.6115 301.5930 PRESSURE: 869600 0 0 0 0 0 0 0 0 0 GPRESSURE: 869600 0 0 0 0 0 0 0 0 0 PRESSAVG: 869600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 869600 0 0 0 0 0 0 0 0 0 TIMING: 869600 CPU: 3438.96, 0.00395318/step Wall: 3438.96, 0.00395318/step, 1.79035 hours remaining, 113.171875 MB of memory in use. ENERGY: 869600 651.5057 1823.4295 2018.6672 104.4336 1.4442 -1034.3552 0.0000 0.0000 2670.5107 6235.6357 294.9653 3565.1250 6267.0751 300.6967 PRESSURE: 869800 0 0 0 0 0 0 0 0 0 GPRESSURE: 869800 0 0 0 0 0 0 0 0 0 PRESSAVG: 869800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 869800 0 0 0 0 0 0 0 0 0 TIMING: 869800 CPU: 3439.75, 0.00395598/step Wall: 3439.75, 0.00395598/step, 1.7914 hours remaining, 113.171875 MB of memory in use. ENERGY: 869800 661.5514 1850.2013 1986.0297 108.8577 -0.1122 -1098.9556 0.0000 0.0000 2708.5291 6216.1014 299.1646 3507.5723 6250.4542 300.7173 PRESSURE: 870000 0 0 0 0 0 0 0 0 0 GPRESSURE: 870000 0 0 0 0 0 0 0 0 0 PRESSAVG: 870000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 870000 0 0 0 0 0 0 0 0 0 TIMING: 870000 CPU: 3440.54, 0.0039571/step Wall: 3440.54, 0.0039571/step, 1.79169 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 870000 671.9774 1790.2918 2009.5456 121.9463 2.8403 -1062.7245 0.0000 0.0000 2716.3326 6250.2095 300.0265 3533.8769 6282.7939 298.7786 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 870000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 870000 WRITING COORDINATES TO RESTART FILE AT STEP 870000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 870000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 870200 0 0 0 0 0 0 0 0 0 GPRESSURE: 870200 0 0 0 0 0 0 0 0 0 PRESSAVG: 870200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 870200 0 0 0 0 0 0 0 0 0 TIMING: 870200 CPU: 3441.4, 0.00430184/step Wall: 3441.4, 0.00430184/step, 1.94754 hours remaining, 113.171875 MB of memory in use. ENERGY: 870200 648.6795 1808.2538 1990.3448 103.3163 2.3442 -1041.2593 0.0000 0.0000 2682.0358 6193.7151 296.2383 3511.6793 6229.4806 297.3446 PRESSURE: 870400 0 0 0 0 0 0 0 0 0 GPRESSURE: 870400 0 0 0 0 0 0 0 0 0 PRESSAVG: 870400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 870400 0 0 0 0 0 0 0 0 0 TIMING: 870400 CPU: 3442.19, 0.0039547/step Wall: 3442.19, 0.0039547/step, 1.79016 hours remaining, 113.171875 MB of memory in use. ENERGY: 870400 659.8111 1840.0862 1984.2421 109.3718 1.1657 -1059.6611 0.0000 0.0000 2695.9539 6230.9697 297.7756 3535.0158 6264.2197 297.8829 PRESSURE: 870600 0 0 0 0 0 0 0 0 0 GPRESSURE: 870600 0 0 0 0 0 0 0 0 0 PRESSAVG: 870600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 870600 0 0 0 0 0 0 0 0 0 TIMING: 870600 CPU: 3442.98, 0.00395546/step Wall: 3442.98, 0.00395546/step, 1.79029 hours remaining, 113.171875 MB of memory in use. ENERGY: 870600 672.8182 1858.7962 1944.2365 108.3586 0.8881 -1071.6732 0.0000 0.0000 2721.2204 6234.6449 300.5664 3513.4245 6268.7614 299.5136 PRESSURE: 870800 0 0 0 0 0 0 0 0 0 GPRESSURE: 870800 0 0 0 0 0 0 0 0 0 PRESSAVG: 870800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 870800 0 0 0 0 0 0 0 0 0 TIMING: 870800 CPU: 3443.77, 0.00395566/step Wall: 3443.77, 0.00395566/step, 1.79016 hours remaining, 113.171875 MB of memory in use. ENERGY: 870800 646.7312 1837.5435 1986.7041 107.1374 1.4579 -1060.1010 0.0000 0.0000 2699.9683 6219.4414 298.2190 3519.4731 6253.0199 299.0258 PRESSURE: 871000 0 0 0 0 0 0 0 0 0 GPRESSURE: 871000 0 0 0 0 0 0 0 0 0 PRESSAVG: 871000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 871000 0 0 0 0 0 0 0 0 0 TIMING: 871000 CPU: 3444.57, 0.00395563/step Wall: 3444.57, 0.00395563/step, 1.78992 hours remaining, 113.171875 MB of memory in use. ENERGY: 871000 649.5004 1818.9331 1947.7884 99.0641 1.9334 -1053.1446 0.0000 0.0000 2743.3724 6207.4472 303.0131 3464.0748 6241.1467 298.9696 PRESSURE: 871200 0 0 0 0 0 0 0 0 0 GPRESSURE: 871200 0 0 0 0 0 0 0 0 0 PRESSAVG: 871200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 871200 0 0 0 0 0 0 0 0 0 TIMING: 871200 CPU: 3445.36, 0.00394791/step Wall: 3445.36, 0.00394791/step, 1.78621 hours remaining, 113.171875 MB of memory in use. ENERGY: 871200 650.4495 1834.4412 1986.3433 109.2385 1.4986 -1097.3446 0.0000 0.0000 2706.7815 6191.4080 298.9716 3484.6265 6227.4197 297.9293 PRESSURE: 871400 0 0 0 0 0 0 0 0 0 GPRESSURE: 871400 0 0 0 0 0 0 0 0 0 PRESSAVG: 871400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 871400 0 0 0 0 0 0 0 0 0 TIMING: 871400 CPU: 3446.15, 0.00395427/step Wall: 3446.15, 0.00395427/step, 1.78887 hours remaining, 113.171875 MB of memory in use. ENERGY: 871400 610.4034 1833.2340 1962.0249 124.4435 0.5552 -1074.9428 0.0000 0.0000 2668.1325 6123.8507 294.7027 3455.7183 6155.4819 296.8086 PRESSURE: 871600 0 0 0 0 0 0 0 0 0 GPRESSURE: 871600 0 0 0 0 0 0 0 0 0 PRESSAVG: 871600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 871600 0 0 0 0 0 0 0 0 0 TIMING: 871600 CPU: 3446.94, 0.00395319/step Wall: 3446.94, 0.00395318/step, 1.78816 hours remaining, 113.171875 MB of memory in use. ENERGY: 871600 673.2794 1850.5082 1967.0089 108.8463 -0.2680 -1073.3725 0.0000 0.0000 2656.0652 6182.0674 293.3698 3526.0023 6213.8054 295.0819 PRESSURE: 871800 0 0 0 0 0 0 0 0 0 GPRESSURE: 871800 0 0 0 0 0 0 0 0 0 PRESSAVG: 871800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 871800 0 0 0 0 0 0 0 0 0 TIMING: 871800 CPU: 3447.73, 0.00395433/step Wall: 3447.73, 0.00395433/step, 1.78846 hours remaining, 113.171875 MB of memory in use. ENERGY: 871800 716.5201 1804.6835 1995.3890 102.5861 0.6134 -1113.3626 0.0000 0.0000 2668.4276 6174.8570 294.7353 3506.4294 6206.3368 296.3688 PRESSURE: 872000 0 0 0 0 0 0 0 0 0 GPRESSURE: 872000 0 0 0 0 0 0 0 0 0 PRESSAVG: 872000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 872000 0 0 0 0 0 0 0 0 0 TIMING: 872000 CPU: 3448.52, 0.003954/step Wall: 3448.52, 0.003954/step, 1.78809 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 872000 652.7152 1835.7564 1979.6814 105.4902 0.9466 -1071.4813 0.0000 0.0000 2669.3994 6172.5079 294.8426 3503.1085 6204.7934 296.3766 PRESSURE: 872200 0 0 0 0 0 0 0 0 0 GPRESSURE: 872200 0 0 0 0 0 0 0 0 0 PRESSAVG: 872200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 872200 0 0 0 0 0 0 0 0 0 TIMING: 872200 CPU: 3449.31, 0.00394648/step Wall: 3449.31, 0.00394648/step, 1.78447 hours remaining, 113.171875 MB of memory in use. ENERGY: 872200 642.3459 1830.1291 2007.1620 102.7955 0.4556 -1051.3880 0.0000 0.0000 2636.6842 6168.1844 291.2291 3531.5002 6200.1374 295.7488 LDB: ============= START OF LOAD BALANCING ============== 3452.27 LDB: ============== END OF LOAD BALANCING =============== 3452.27 LDB: =============== DONE WITH MIGRATION ================ 3452.27 LDB: ============= START OF LOAD BALANCING ============== 3452.66 LDB: ============== END OF LOAD BALANCING =============== 3452.66 LDB: =============== DONE WITH MIGRATION ================ 3452.66 PRESSURE: 872400 0 0 0 0 0 0 0 0 0 GPRESSURE: 872400 0 0 0 0 0 0 0 0 0 PRESSAVG: 872400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 872400 0 0 0 0 0 0 0 0 0 TIMING: 872400 CPU: 3450.1, 0.00395749/step Wall: 3450.1, 0.00395749/step, 1.78923 hours remaining, 113.171875 MB of memory in use. ENERGY: 872400 658.0491 1778.0720 1980.4921 93.6916 0.6857 -1069.0917 0.0000 0.0000 2725.2505 6167.1494 301.0115 3441.8989 6201.1065 295.6413 PRESSURE: 872600 0 0 0 0 0 0 0 0 0 GPRESSURE: 872600 0 0 0 0 0 0 0 0 0 PRESSAVG: 872600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 872600 0 0 0 0 0 0 0 0 0 TIMING: 872600 CPU: 3450.89, 0.00395253/step Wall: 3450.89, 0.00395253/step, 1.78676 hours remaining, 113.171875 MB of memory in use. ENERGY: 872600 677.7372 1829.6562 1958.5541 105.2354 1.4994 -1056.8835 0.0000 0.0000 2658.0957 6173.8944 293.5941 3515.7988 6204.0540 296.3786 PRESSURE: 872800 0 0 0 0 0 0 0 0 0 GPRESSURE: 872800 0 0 0 0 0 0 0 0 0 PRESSAVG: 872800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 872800 0 0 0 0 0 0 0 0 0 TIMING: 872800 CPU: 3451.68, 0.00395324/step Wall: 3451.68, 0.00395324/step, 1.78686 hours remaining, 113.171875 MB of memory in use. ENERGY: 872800 648.9899 1871.4567 1940.1271 121.3191 1.0331 -1073.8453 0.0000 0.0000 2682.8947 6191.9754 296.3332 3509.0807 6223.7219 296.8157 PRESSURE: 873000 0 0 0 0 0 0 0 0 0 GPRESSURE: 873000 0 0 0 0 0 0 0 0 0 PRESSAVG: 873000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 873000 0 0 0 0 0 0 0 0 0 TIMING: 873000 CPU: 3452.47, 0.00395408/step Wall: 3452.47, 0.00395408/step, 1.78702 hours remaining, 113.171875 MB of memory in use. ENERGY: 873000 636.4719 1829.8416 1966.2756 119.1079 1.3522 -1036.8843 0.0000 0.0000 2694.1299 6210.2948 297.5742 3516.1649 6244.9114 296.5964 PRESSURE: 873200 0 0 0 0 0 0 0 0 0 GPRESSURE: 873200 0 0 0 0 0 0 0 0 0 PRESSAVG: 873200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 873200 0 0 0 0 0 0 0 0 0 TIMING: 873200 CPU: 3453.26, 0.00394675/step Wall: 3453.26, 0.00394675/step, 1.78349 hours remaining, 113.171875 MB of memory in use. ENERGY: 873200 658.6106 1778.1571 1973.8730 113.6788 1.3122 -1065.7597 0.0000 0.0000 2688.0756 6147.9474 296.9054 3459.8718 6181.3742 296.0455 PRESSURE: 873400 0 0 0 0 0 0 0 0 0 GPRESSURE: 873400 0 0 0 0 0 0 0 0 0 PRESSAVG: 873400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 873400 0 0 0 0 0 0 0 0 0 TIMING: 873400 CPU: 3454.05, 0.00395336/step Wall: 3454.05, 0.00395336/step, 1.78626 hours remaining, 113.171875 MB of memory in use. ENERGY: 873400 630.4294 1826.7380 1973.8085 99.5119 1.6488 -1074.0946 0.0000 0.0000 2654.2664 6112.3085 293.1711 3458.0421 6146.3257 295.6012 PRESSURE: 873600 0 0 0 0 0 0 0 0 0 GPRESSURE: 873600 0 0 0 0 0 0 0 0 0 PRESSAVG: 873600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 873600 0 0 0 0 0 0 0 0 0 TIMING: 873600 CPU: 3454.84, 0.00395277/step Wall: 3454.84, 0.00395277/step, 1.78577 hours remaining, 113.171875 MB of memory in use. ENERGY: 873600 647.8982 1812.2176 1963.5103 113.1327 1.0157 -1097.0367 0.0000 0.0000 2676.6643 6117.4022 295.6450 3440.7379 6151.1802 293.5949 PRESSURE: 873800 0 0 0 0 0 0 0 0 0 GPRESSURE: 873800 0 0 0 0 0 0 0 0 0 PRESSAVG: 873800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 873800 0 0 0 0 0 0 0 0 0 TIMING: 873800 CPU: 3455.63, 0.00395357/step Wall: 3455.63, 0.00395357/step, 1.78592 hours remaining, 113.171875 MB of memory in use. ENERGY: 873800 630.4916 1827.5649 2007.8591 116.1753 1.0813 -1083.0253 0.0000 0.0000 2705.9534 6206.1004 298.8801 3500.1470 6240.2207 295.9579 PRESSURE: 874000 0 0 0 0 0 0 0 0 0 GPRESSURE: 874000 0 0 0 0 0 0 0 0 0 PRESSAVG: 874000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 874000 0 0 0 0 0 0 0 0 0 TIMING: 874000 CPU: 3456.42, 0.00394736/step Wall: 3456.42, 0.00394736/step, 1.78289 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 874000 643.4100 1866.6920 2000.2820 107.6519 2.3161 -1049.3002 0.0000 0.0000 2664.2421 6235.2939 294.2730 3571.0518 6264.3446 299.0277 PRESSURE: 874200 0 0 0 0 0 0 0 0 0 GPRESSURE: 874200 0 0 0 0 0 0 0 0 0 PRESSAVG: 874200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 874200 0 0 0 0 0 0 0 0 0 TIMING: 874200 CPU: 3457.21, 0.00395222/step Wall: 3457.21, 0.00395222/step, 1.78486 hours remaining, 113.171875 MB of memory in use. ENERGY: 874200 661.4855 1806.6779 1992.3510 94.4778 1.0425 -1058.9439 0.0000 0.0000 2643.4525 6140.5434 291.9767 3497.0909 6175.5644 295.9568 PRESSURE: 874400 0 0 0 0 0 0 0 0 0 GPRESSURE: 874400 0 0 0 0 0 0 0 0 0 PRESSAVG: 874400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 874400 0 0 0 0 0 0 0 0 0 TIMING: 874400 CPU: 3458, 0.00395195/step Wall: 3458, 0.00395195/step, 1.78453 hours remaining, 113.171875 MB of memory in use. ENERGY: 874400 661.0265 1865.6034 1967.6658 95.4309 2.5246 -1096.6611 0.0000 0.0000 2640.8314 6136.4215 291.6872 3495.5901 6169.4274 294.4625 PRESSURE: 874600 0 0 0 0 0 0 0 0 0 GPRESSURE: 874600 0 0 0 0 0 0 0 0 0 PRESSAVG: 874600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 874600 0 0 0 0 0 0 0 0 0 TIMING: 874600 CPU: 3458.79, 0.00396102/step Wall: 3458.79, 0.00396102/step, 1.7884 hours remaining, 113.171875 MB of memory in use. ENERGY: 874600 652.7089 1816.1250 1974.5569 100.8880 3.7779 -1058.0810 0.0000 0.0000 2690.4195 6180.3951 297.1643 3489.9756 6213.3520 293.8240 PRESSURE: 874800 0 0 0 0 0 0 0 0 0 GPRESSURE: 874800 0 0 0 0 0 0 0 0 0 PRESSAVG: 874800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 874800 0 0 0 0 0 0 0 0 0 TIMING: 874800 CPU: 3459.59, 0.00395254/step Wall: 3459.59, 0.00395254/step, 1.78435 hours remaining, 113.171875 MB of memory in use. ENERGY: 874800 667.0159 1807.4929 1983.0367 113.9309 2.3458 -1056.4524 0.0000 0.0000 2644.2948 6161.6646 292.0697 3517.3698 6192.5343 295.7993 PRESSURE: 875000 0 0 0 0 0 0 0 0 0 GPRESSURE: 875000 0 0 0 0 0 0 0 0 0 PRESSAVG: 875000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 875000 0 0 0 0 0 0 0 0 0 TIMING: 875000 CPU: 3460.37, 0.00394606/step Wall: 3460.37, 0.00394606/step, 1.78121 hours remaining, 113.171875 MB of memory in use. ENERGY: 875000 658.8575 1814.2161 1971.1637 101.8553 1.1283 -1077.2770 0.0000 0.0000 2714.0005 6183.9444 299.7689 3469.9440 6219.2513 294.7329 PRESSURE: 875200 0 0 0 0 0 0 0 0 0 GPRESSURE: 875200 0 0 0 0 0 0 0 0 0 PRESSAVG: 875200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 875200 0 0 0 0 0 0 0 0 0 TIMING: 875200 CPU: 3461.17, 0.00395378/step Wall: 3461.17, 0.00395378/step, 1.78447 hours remaining, 113.171875 MB of memory in use. ENERGY: 875200 655.6152 1788.0102 1962.5300 94.5951 2.3200 -1045.1313 0.0000 0.0000 2681.4944 6139.4337 296.1785 3457.9393 6173.9527 294.9254 PRESSURE: 875400 0 0 0 0 0 0 0 0 0 GPRESSURE: 875400 0 0 0 0 0 0 0 0 0 PRESSAVG: 875400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 875400 0 0 0 0 0 0 0 0 0 TIMING: 875400 CPU: 3461.96, 0.00395694/step Wall: 3461.96, 0.00395694/step, 1.78568 hours remaining, 113.171875 MB of memory in use. ENERGY: 875400 633.7665 1864.6077 2013.7933 101.5269 1.3215 -1082.8371 0.0000 0.0000 2612.6089 6144.7878 288.5699 3532.1789 6175.8679 292.6976 PRESSURE: 875600 0 0 0 0 0 0 0 0 0 GPRESSURE: 875600 0 0 0 0 0 0 0 0 0 PRESSAVG: 875600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 875600 0 0 0 0 0 0 0 0 0 TIMING: 875600 CPU: 3462.75, 0.00395473/step Wall: 3462.75, 0.00395473/step, 1.78446 hours remaining, 113.171875 MB of memory in use. ENERGY: 875600 633.3302 1806.3135 1979.7123 110.0018 -0.6283 -1083.8500 0.0000 0.0000 2693.3541 6138.2336 297.4885 3444.8795 6171.1570 293.5965 PRESSURE: 875800 0 0 0 0 0 0 0 0 0 GPRESSURE: 875800 0 0 0 0 0 0 0 0 0 PRESSAVG: 875800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 875800 0 0 0 0 0 0 0 0 0 TIMING: 875800 CPU: 3463.58, 0.00414233/step Wall: 3463.58, 0.00414233/step, 1.86888 hours remaining, 113.171875 MB of memory in use. ENERGY: 875800 650.1790 1840.6957 1976.4686 106.2957 1.8587 -1077.6581 0.0000 0.0000 2646.0123 6143.8519 292.2594 3497.8396 6178.5051 293.2646 PRESSURE: 876000 0 0 0 0 0 0 0 0 0 GPRESSURE: 876000 0 0 0 0 0 0 0 0 0 PRESSAVG: 876000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 876000 0 0 0 0 0 0 0 0 0 TIMING: 876000 CPU: 3464.37, 0.00394714/step Wall: 3464.37, 0.00394714/step, 1.7806 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 876000 613.3309 1899.6672 1990.1410 107.8556 1.2492 -1047.5671 0.0000 0.0000 2637.5724 6202.2492 291.3272 3564.6768 6232.7139 295.4804 PRESSURE: 876200 0 0 0 0 0 0 0 0 0 GPRESSURE: 876200 0 0 0 0 0 0 0 0 0 PRESSAVG: 876200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 876200 0 0 0 0 0 0 0 0 0 TIMING: 876200 CPU: 3465.16, 0.00394904/step Wall: 3465.16, 0.00394904/step, 1.78124 hours remaining, 113.171875 MB of memory in use. ENERGY: 876200 654.4128 1833.0967 1988.7792 96.8891 0.3539 -1067.1042 0.0000 0.0000 2672.8502 6179.2777 295.2238 3506.4274 6211.2280 295.5601 LDB: ============= START OF LOAD BALANCING ============== 3468.11 LDB: ============== END OF LOAD BALANCING =============== 3468.11 LDB: =============== DONE WITH MIGRATION ================ 3468.11 LDB: ============= START OF LOAD BALANCING ============== 3468.51 LDB: ============== END OF LOAD BALANCING =============== 3468.51 LDB: =============== DONE WITH MIGRATION ================ 3468.51 PRESSURE: 876400 0 0 0 0 0 0 0 0 0 GPRESSURE: 876400 0 0 0 0 0 0 0 0 0 PRESSAVG: 876400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 876400 0 0 0 0 0 0 0 0 0 TIMING: 876400 CPU: 3465.95, 0.0039518/step Wall: 3465.95, 0.0039518/step, 1.78226 hours remaining, 113.171875 MB of memory in use. ENERGY: 876400 654.2300 1841.2054 1959.5101 93.8282 0.3423 -1051.4850 0.0000 0.0000 2721.7396 6219.3706 300.6237 3497.6310 6251.8216 297.1250 PRESSURE: 876600 0 0 0 0 0 0 0 0 0 GPRESSURE: 876600 0 0 0 0 0 0 0 0 0 PRESSAVG: 876600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 876600 0 0 0 0 0 0 0 0 0 TIMING: 876600 CPU: 3466.74, 0.00394897/step Wall: 3466.74, 0.00394897/step, 1.78077 hours remaining, 113.171875 MB of memory in use. ENERGY: 876600 672.1467 1846.9202 1960.8039 101.1795 1.7932 -1027.8355 0.0000 0.0000 2707.5631 6262.5711 299.0579 3555.0080 6294.0423 299.3368 PRESSURE: 876800 0 0 0 0 0 0 0 0 0 GPRESSURE: 876800 0 0 0 0 0 0 0 0 0 PRESSAVG: 876800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 876800 0 0 0 0 0 0 0 0 0 TIMING: 876800 CPU: 3467.53, 0.00394776/step Wall: 3467.53, 0.00394776/step, 1.78 hours remaining, 113.171875 MB of memory in use. ENERGY: 876800 687.2745 1839.0246 1986.5806 100.2787 0.8128 -1070.3284 0.0000 0.0000 2684.3206 6227.9634 296.4907 3543.6428 6261.3889 300.4181 PRESSURE: 877000 0 0 0 0 0 0 0 0 0 GPRESSURE: 877000 0 0 0 0 0 0 0 0 0 PRESSAVG: 877000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 877000 0 0 0 0 0 0 0 0 0 TIMING: 877000 CPU: 3468.31, 0.00394693/step Wall: 3468.31, 0.00394693/step, 1.77941 hours remaining, 113.171875 MB of memory in use. ENERGY: 877000 683.6662 1838.1781 1976.5111 101.2263 2.9050 -1096.0799 0.0000 0.0000 2717.9622 6224.3690 300.2065 3506.4068 6257.0131 299.3275 PRESSURE: 877200 0 0 0 0 0 0 0 0 0 GPRESSURE: 877200 0 0 0 0 0 0 0 0 0 PRESSAVG: 877200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 877200 0 0 0 0 0 0 0 0 0 TIMING: 877200 CPU: 3469.1, 0.00394922/step Wall: 3469.1, 0.00394922/step, 1.78022 hours remaining, 113.171875 MB of memory in use. ENERGY: 877200 697.9134 1841.8243 2005.8275 115.5999 0.9039 -1082.0277 0.0000 0.0000 2712.3880 6292.4294 299.5908 3580.0413 6324.1902 301.9725 PRESSURE: 877400 0 0 0 0 0 0 0 0 0 GPRESSURE: 877400 0 0 0 0 0 0 0 0 0 PRESSAVG: 877400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 877400 0 0 0 0 0 0 0 0 0 TIMING: 877400 CPU: 3469.89, 0.00394722/step Wall: 3469.89, 0.00394722/step, 1.7791 hours remaining, 113.171875 MB of memory in use. ENERGY: 877400 670.4017 1819.1302 2001.7804 112.5608 2.4436 -1048.7584 0.0000 0.0000 2683.5367 6241.0950 296.4041 3557.5583 6274.0804 301.2433 PRESSURE: 877600 0 0 0 0 0 0 0 0 0 GPRESSURE: 877600 0 0 0 0 0 0 0 0 0 PRESSAVG: 877600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 877600 0 0 0 0 0 0 0 0 0 TIMING: 877600 CPU: 3470.68, 0.0039492/step Wall: 3470.68, 0.0039492/step, 1.77977 hours remaining, 113.171875 MB of memory in use. ENERGY: 877600 688.1108 1831.8773 2002.5679 117.9091 1.4730 -1095.1686 0.0000 0.0000 2699.6393 6246.4088 298.1827 3546.7695 6278.5433 300.5934 PRESSURE: 877800 0 0 0 0 0 0 0 0 0 GPRESSURE: 877800 0 0 0 0 0 0 0 0 0 PRESSAVG: 877800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 877800 0 0 0 0 0 0 0 0 0 TIMING: 877800 CPU: 3471.47, 0.00394725/step Wall: 3471.47, 0.00394725/step, 1.77867 hours remaining, 113.171875 MB of memory in use. ENERGY: 877800 697.3240 1845.5220 1993.4271 110.7897 1.4358 -1090.4264 0.0000 0.0000 2716.9088 6274.9810 300.0901 3558.0722 6307.0194 302.2091 PRESSURE: 878000 0 0 0 0 0 0 0 0 0 GPRESSURE: 878000 0 0 0 0 0 0 0 0 0 PRESSAVG: 878000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 878000 0 0 0 0 0 0 0 0 0 TIMING: 878000 CPU: 3472.26, 0.00394705/step Wall: 3472.26, 0.00394705/step, 1.77837 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 878000 643.0710 1799.7293 1975.2327 113.0259 0.9511 -1045.0561 0.0000 0.0000 2749.6616 6236.6155 303.7078 3486.9539 6270.7072 303.0334 PRESSURE: 878200 0 0 0 0 0 0 0 0 0 GPRESSURE: 878200 0 0 0 0 0 0 0 0 0 PRESSAVG: 878200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 878200 0 0 0 0 0 0 0 0 0 TIMING: 878200 CPU: 3473.05, 0.00394919/step Wall: 3473.05, 0.00394918/step, 1.77911 hours remaining, 113.171875 MB of memory in use. ENERGY: 878200 665.1891 1859.1071 1988.5081 114.6608 2.7589 -1052.0720 0.0000 0.0000 2732.2199 6310.3719 301.7813 3578.1520 6347.2409 303.3227 PRESSURE: 878400 0 0 0 0 0 0 0 0 0 GPRESSURE: 878400 0 0 0 0 0 0 0 0 0 PRESSAVG: 878400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 878400 0 0 0 0 0 0 0 0 0 TIMING: 878400 CPU: 3473.84, 0.00394681/step Wall: 3473.84, 0.00394682/step, 1.77782 hours remaining, 113.171875 MB of memory in use. ENERGY: 878400 695.0978 1830.7961 1965.4613 115.1396 2.1756 -1070.7297 0.0000 0.0000 2758.2413 6296.1819 304.6554 3537.9406 6328.2905 303.8965 PRESSURE: 878600 0 0 0 0 0 0 0 0 0 GPRESSURE: 878600 0 0 0 0 0 0 0 0 0 PRESSAVG: 878600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 878600 0 0 0 0 0 0 0 0 0 TIMING: 878600 CPU: 3474.63, 0.00394878/step Wall: 3474.63, 0.00394878/step, 1.77849 hours remaining, 113.171875 MB of memory in use. ENERGY: 878600 658.9756 1909.0167 1966.5024 114.2721 1.0475 -1105.2713 0.0000 0.0000 2714.2120 6258.7550 299.7923 3544.5430 6289.8338 304.3652 PRESSURE: 878800 0 0 0 0 0 0 0 0 0 GPRESSURE: 878800 0 0 0 0 0 0 0 0 0 PRESSAVG: 878800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 878800 0 0 0 0 0 0 0 0 0 TIMING: 878800 CPU: 3475.42, 0.00394684/step Wall: 3475.42, 0.00394684/step, 1.77739 hours remaining, 113.171875 MB of memory in use. ENERGY: 878800 640.6240 1831.2090 1966.1267 112.7065 3.4272 -1065.0645 0.0000 0.0000 2729.7502 6218.7790 301.5085 3489.0288 6254.4740 299.9330 PRESSURE: 879000 0 0 0 0 0 0 0 0 0 GPRESSURE: 879000 0 0 0 0 0 0 0 0 0 PRESSAVG: 879000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 879000 0 0 0 0 0 0 0 0 0 TIMING: 879000 CPU: 3476.21, 0.00394817/step Wall: 3476.21, 0.00394817/step, 1.77778 hours remaining, 113.171875 MB of memory in use. ENERGY: 879000 681.0259 1863.8192 2007.3022 108.1438 2.0944 -1090.3533 0.0000 0.0000 2686.3320 6258.3642 296.7129 3572.0322 6290.7063 300.8541 PRESSURE: 879200 0 0 0 0 0 0 0 0 0 GPRESSURE: 879200 0 0 0 0 0 0 0 0 0 PRESSAVG: 879200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 879200 0 0 0 0 0 0 0 0 0 TIMING: 879200 CPU: 3477, 0.00395025/step Wall: 3477, 0.00395025/step, 1.77849 hours remaining, 113.171875 MB of memory in use. ENERGY: 879200 674.7162 1829.1158 1991.0736 113.4836 1.9506 -1045.1922 0.0000 0.0000 2692.9564 6258.1041 297.4445 3565.1477 6291.7353 301.3631 PRESSURE: 879400 0 0 0 0 0 0 0 0 0 GPRESSURE: 879400 0 0 0 0 0 0 0 0 0 PRESSAVG: 879400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 879400 0 0 0 0 0 0 0 0 0 TIMING: 879400 CPU: 3477.79, 0.00394706/step Wall: 3477.79, 0.00394706/step, 1.77684 hours remaining, 113.171875 MB of memory in use. ENERGY: 879400 704.7961 1820.8235 1993.4082 116.1433 1.6286 -1127.2399 0.0000 0.0000 2758.5686 6268.1284 304.6916 3509.5598 6301.4785 302.7134 PRESSURE: 879600 0 0 0 0 0 0 0 0 0 GPRESSURE: 879600 0 0 0 0 0 0 0 0 0 PRESSAVG: 879600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 879600 0 0 0 0 0 0 0 0 0 TIMING: 879600 CPU: 3478.58, 0.00394848/step Wall: 3478.58, 0.00394848/step, 1.77726 hours remaining, 113.171875 MB of memory in use. ENERGY: 879600 644.7471 1835.7897 1975.3216 114.6806 1.1641 -1061.4825 0.0000 0.0000 2724.5553 6234.7758 300.9347 3510.2205 6267.9048 301.5707 PRESSURE: 879800 0 0 0 0 0 0 0 0 0 GPRESSURE: 879800 0 0 0 0 0 0 0 0 0 PRESSAVG: 879800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 879800 0 0 0 0 0 0 0 0 0 TIMING: 879800 CPU: 3479.37, 0.00394621/step Wall: 3479.37, 0.00394621/step, 1.77602 hours remaining, 113.171875 MB of memory in use. ENERGY: 879800 677.6379 1822.7413 1990.2271 113.2587 0.5813 -1051.5503 0.0000 0.0000 2659.8662 6212.7621 293.7896 3552.8959 6244.4447 297.4439 PRESSURE: 880000 0 0 0 0 0 0 0 0 0 GPRESSURE: 880000 0 0 0 0 0 0 0 0 0 PRESSAVG: 880000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 880000 0 0 0 0 0 0 0 0 0 TIMING: 880000 CPU: 3480.16, 0.00394783/step Wall: 3480.16, 0.00394783/step, 1.77653 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 880000 667.8966 1815.1856 1998.6483 109.9474 0.8740 -1087.1074 0.0000 0.0000 2727.5805 6233.0250 301.2689 3505.4445 6266.4653 298.3663 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 880000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 880000 WRITING COORDINATES TO RESTART FILE AT STEP 880000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 880000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 880200 0 0 0 0 0 0 0 0 0 GPRESSURE: 880200 0 0 0 0 0 0 0 0 0 PRESSAVG: 880200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 880200 0 0 0 0 0 0 0 0 0 TIMING: 880200 CPU: 3481.03, 0.00435732/step Wall: 3481.03, 0.00435732/step, 1.96055 hours remaining, 113.171875 MB of memory in use. ENERGY: 880200 645.0126 1874.5915 1948.7777 95.7590 0.5104 -1091.0249 0.0000 0.0000 2743.4350 6217.0613 303.0200 3473.6263 6252.2672 299.7787 LDB: ============= START OF LOAD BALANCING ============== 3483.99 LDB: ============== END OF LOAD BALANCING =============== 3483.99 LDB: =============== DONE WITH MIGRATION ================ 3483.99 LDB: ============= START OF LOAD BALANCING ============== 3484.39 LDB: ============== END OF LOAD BALANCING =============== 3484.39 LDB: =============== DONE WITH MIGRATION ================ 3484.39 PRESSURE: 880400 0 0 0 0 0 0 0 0 0 GPRESSURE: 880400 0 0 0 0 0 0 0 0 0 PRESSAVG: 880400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 880400 0 0 0 0 0 0 0 0 0 TIMING: 880400 CPU: 3481.82, 0.00396719/step Wall: 3481.82, 0.00396719/step, 1.78479 hours remaining, 113.171875 MB of memory in use. ENERGY: 880400 697.6620 1866.0527 1985.1931 114.8553 1.5557 -1104.0284 0.0000 0.0000 2665.1273 6226.4177 294.3707 3561.2904 6257.1132 300.8790 PRESSURE: 880600 0 0 0 0 0 0 0 0 0 GPRESSURE: 880600 0 0 0 0 0 0 0 0 0 PRESSAVG: 880600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 880600 0 0 0 0 0 0 0 0 0 TIMING: 880600 CPU: 3482.61, 0.0039538/step Wall: 3482.61, 0.0039538/step, 1.77855 hours remaining, 113.171875 MB of memory in use. ENERGY: 880600 645.5182 1847.1783 1967.1834 121.1139 0.8502 -1094.9500 0.0000 0.0000 2696.7573 6183.6514 297.8644 3486.8941 6217.0895 297.8685 PRESSURE: 880800 0 0 0 0 0 0 0 0 0 GPRESSURE: 880800 0 0 0 0 0 0 0 0 0 PRESSAVG: 880800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 880800 0 0 0 0 0 0 0 0 0 TIMING: 880800 CPU: 3483.4, 0.00394873/step Wall: 3483.4, 0.00394873/step, 1.77605 hours remaining, 113.171875 MB of memory in use. ENERGY: 880800 628.9819 1798.5026 1954.4171 103.3884 0.6241 -1086.6434 0.0000 0.0000 2777.5990 6176.8697 306.7935 3399.2707 6212.6343 298.7308 PRESSURE: 881000 0 0 0 0 0 0 0 0 0 GPRESSURE: 881000 0 0 0 0 0 0 0 0 0 PRESSAVG: 881000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 881000 0 0 0 0 0 0 0 0 0 TIMING: 881000 CPU: 3484.19, 0.00395303/step Wall: 3484.19, 0.00395303/step, 1.77777 hours remaining, 113.171875 MB of memory in use. ENERGY: 881000 648.8514 1830.9053 2003.1496 103.1825 1.2423 -1088.2954 0.0000 0.0000 2710.9707 6210.0064 299.4343 3499.0356 6243.9494 298.5159 PRESSURE: 881200 0 0 0 0 0 0 0 0 0 GPRESSURE: 881200 0 0 0 0 0 0 0 0 0 PRESSAVG: 881200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 881200 0 0 0 0 0 0 0 0 0 TIMING: 881200 CPU: 3484.99, 0.00395378/step Wall: 3484.99, 0.00395378/step, 1.77788 hours remaining, 113.171875 MB of memory in use. ENERGY: 881200 618.2128 1861.8435 1988.3810 99.5720 2.1439 -1068.0421 0.0000 0.0000 2707.8135 6209.9246 299.0855 3502.1111 6241.8856 299.7863 PRESSURE: 881400 0 0 0 0 0 0 0 0 0 GPRESSURE: 881400 0 0 0 0 0 0 0 0 0 PRESSAVG: 881400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 881400 0 0 0 0 0 0 0 0 0 TIMING: 881400 CPU: 3485.78, 0.00395337/step Wall: 3485.78, 0.00395337/step, 1.77748 hours remaining, 113.171875 MB of memory in use. ENERGY: 881400 670.6684 1789.1491 2007.2529 96.5633 2.1785 -1100.9429 0.0000 0.0000 2667.2728 6132.1421 294.6077 3464.8693 6165.2310 296.9700 PRESSURE: 881600 0 0 0 0 0 0 0 0 0 GPRESSURE: 881600 0 0 0 0 0 0 0 0 0 PRESSAVG: 881600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 881600 0 0 0 0 0 0 0 0 0 TIMING: 881600 CPU: 3486.57, 0.00395384/step Wall: 3486.57, 0.00395384/step, 1.77747 hours remaining, 113.171875 MB of memory in use. ENERGY: 881600 680.4254 1831.8777 1982.4513 92.9832 -0.2251 -1098.9413 0.0000 0.0000 2675.9966 6164.5678 295.5713 3488.5713 6195.8128 295.0436 PRESSURE: 881800 0 0 0 0 0 0 0 0 0 GPRESSURE: 881800 0 0 0 0 0 0 0 0 0 PRESSAVG: 881800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 881800 0 0 0 0 0 0 0 0 0 TIMING: 881800 CPU: 3487.36, 0.00394798/step Wall: 3487.36, 0.00394798/step, 1.77462 hours remaining, 113.171875 MB of memory in use. ENERGY: 881800 659.7245 1861.6758 1988.7898 106.7421 0.0712 -1104.9480 0.0000 0.0000 2710.1250 6222.1805 299.3409 3512.0555 6254.2215 298.3737 PRESSURE: 882000 0 0 0 0 0 0 0 0 0 GPRESSURE: 882000 0 0 0 0 0 0 0 0 0 PRESSAVG: 882000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 882000 0 0 0 0 0 0 0 0 0 TIMING: 882000 CPU: 3488.15, 0.00395262/step Wall: 3488.15, 0.00395262/step, 1.77649 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 882000 658.9101 1830.5575 1977.0250 110.3108 0.2849 -1081.9067 0.0000 0.0000 2756.5403 6251.7219 304.4676 3495.1816 6286.9853 301.7179 PRESSURE: 882200 0 0 0 0 0 0 0 0 0 GPRESSURE: 882200 0 0 0 0 0 0 0 0 0 PRESSAVG: 882200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 882200 0 0 0 0 0 0 0 0 0 TIMING: 882200 CPU: 3488.94, 0.00395159/step Wall: 3488.94, 0.00395159/step, 1.7758 hours remaining, 113.171875 MB of memory in use. ENERGY: 882200 659.8413 1838.5155 1994.4236 120.3783 0.7258 -1055.8409 0.0000 0.0000 2678.6608 6236.7044 295.8655 3558.0436 6269.0811 300.1781 PRESSURE: 882400 0 0 0 0 0 0 0 0 0 GPRESSURE: 882400 0 0 0 0 0 0 0 0 0 PRESSAVG: 882400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 882400 0 0 0 0 0 0 0 0 0 TIMING: 882400 CPU: 3489.73, 0.00395288/step Wall: 3489.73, 0.00395288/step, 1.77616 hours remaining, 113.171875 MB of memory in use. ENERGY: 882400 668.6718 1841.6004 1993.2407 101.8221 0.7975 -1093.9706 0.0000 0.0000 2687.3043 6199.4663 296.8202 3512.1620 6231.0351 299.2259 PRESSURE: 882600 0 0 0 0 0 0 0 0 0 GPRESSURE: 882600 0 0 0 0 0 0 0 0 0 PRESSAVG: 882600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 882600 0 0 0 0 0 0 0 0 0 TIMING: 882600 CPU: 3490.52, 0.00395162/step Wall: 3490.52, 0.00395162/step, 1.77537 hours remaining, 113.171875 MB of memory in use. ENERGY: 882600 648.7872 1818.5437 1996.6341 124.5792 1.0920 -1096.4759 0.0000 0.0000 2730.0662 6223.2264 301.5434 3493.1602 6259.1557 300.3917 PRESSURE: 882800 0 0 0 0 0 0 0 0 0 GPRESSURE: 882800 0 0 0 0 0 0 0 0 0 PRESSAVG: 882800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 882800 0 0 0 0 0 0 0 0 0 TIMING: 882800 CPU: 3491.31, 0.00394931/step Wall: 3491.31, 0.00394931/step, 1.77412 hours remaining, 113.171875 MB of memory in use. ENERGY: 882800 632.7766 1803.0196 2003.9471 108.9712 1.2476 -1065.2622 0.0000 0.0000 2746.9130 6231.6129 303.4042 3484.7000 6264.0357 300.3772 PRESSURE: 883000 0 0 0 0 0 0 0 0 0 GPRESSURE: 883000 0 0 0 0 0 0 0 0 0 PRESSAVG: 883000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 883000 0 0 0 0 0 0 0 0 0 TIMING: 883000 CPU: 3492.1, 0.00395109/step Wall: 3492.1, 0.00395109/step, 1.7747 hours remaining, 113.171875 MB of memory in use. ENERGY: 883000 618.4993 1821.1601 2018.4159 107.6560 -0.2099 -1095.7858 0.0000 0.0000 2735.5398 6205.2754 302.1480 3469.7356 6238.3537 301.2980 PRESSURE: 883200 0 0 0 0 0 0 0 0 0 GPRESSURE: 883200 0 0 0 0 0 0 0 0 0 PRESSAVG: 883200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 883200 0 0 0 0 0 0 0 0 0 TIMING: 883200 CPU: 3492.89, 0.00395128/step Wall: 3492.89, 0.00395128/step, 1.77456 hours remaining, 113.171875 MB of memory in use. ENERGY: 883200 665.4911 1808.0196 2025.2302 115.6654 -0.1915 -1054.4588 0.0000 0.0000 2675.2432 6234.9992 295.4881 3559.7560 6263.6550 298.5753 PRESSURE: 883400 0 0 0 0 0 0 0 0 0 GPRESSURE: 883400 0 0 0 0 0 0 0 0 0 PRESSAVG: 883400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 883400 0 0 0 0 0 0 0 0 0 TIMING: 883400 CPU: 3493.68, 0.00395263/step Wall: 3493.68, 0.00395263/step, 1.77495 hours remaining, 113.171875 MB of memory in use. ENERGY: 883400 653.9309 1822.3058 1997.5598 109.4533 0.8386 -1048.6510 0.0000 0.0000 2672.4370 6207.8745 295.1781 3535.4375 6243.2027 299.4816 PRESSURE: 883600 0 0 0 0 0 0 0 0 0 GPRESSURE: 883600 0 0 0 0 0 0 0 0 0 PRESSAVG: 883600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 883600 0 0 0 0 0 0 0 0 0 TIMING: 883600 CPU: 3494.47, 0.00394773/step Wall: 3494.47, 0.00394773/step, 1.77253 hours remaining, 113.171875 MB of memory in use. ENERGY: 883600 648.7936 1837.4635 1993.4899 108.4653 0.8825 -1048.3517 0.0000 0.0000 2711.6014 6252.3445 299.5039 3540.7431 6283.0055 300.9753 PRESSURE: 883800 0 0 0 0 0 0 0 0 0 GPRESSURE: 883800 0 0 0 0 0 0 0 0 0 PRESSAVG: 883800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 883800 0 0 0 0 0 0 0 0 0 TIMING: 883800 CPU: 3495.26, 0.00395352/step Wall: 3495.26, 0.00395352/step, 1.77491 hours remaining, 113.171875 MB of memory in use. ENERGY: 883800 657.4102 1836.8188 2003.8418 104.2401 1.7986 -1071.1607 0.0000 0.0000 2729.7325 6262.6812 301.5066 3532.9487 6297.2131 301.6963 PRESSURE: 884000 0 0 0 0 0 0 0 0 0 GPRESSURE: 884000 0 0 0 0 0 0 0 0 0 PRESSAVG: 884000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 884000 0 0 0 0 0 0 0 0 0 TIMING: 884000 CPU: 3496.05, 0.00395281/step Wall: 3496.05, 0.00395281/step, 1.77437 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 884000 666.5944 1865.9916 1985.4357 95.8120 0.2811 -1050.4252 0.0000 0.0000 2731.9966 6295.6862 301.7566 3563.6896 6328.3909 301.5804 PRESSURE: 884200 0 0 0 0 0 0 0 0 0 GPRESSURE: 884200 0 0 0 0 0 0 0 0 0 PRESSAVG: 884200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 884200 0 0 0 0 0 0 0 0 0 TIMING: 884200 CPU: 3496.84, 0.00395251/step Wall: 3496.84, 0.00395251/step, 1.77402 hours remaining, 113.171875 MB of memory in use. ENERGY: 884200 635.8726 1910.2541 1982.2015 111.5836 0.8508 -1049.8712 0.0000 0.0000 2729.0145 6319.9059 301.4273 3590.8914 6352.0021 303.8046 LDB: ============= START OF LOAD BALANCING ============== 3499.8 LDB: ============== END OF LOAD BALANCING =============== 3499.8 LDB: =============== DONE WITH MIGRATION ================ 3499.8 LDB: ============= START OF LOAD BALANCING ============== 3500.2 LDB: ============== END OF LOAD BALANCING =============== 3500.2 LDB: =============== DONE WITH MIGRATION ================ 3500.2 PRESSURE: 884400 0 0 0 0 0 0 0 0 0 GPRESSURE: 884400 0 0 0 0 0 0 0 0 0 PRESSAVG: 884400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 884400 0 0 0 0 0 0 0 0 0 TIMING: 884400 CPU: 3497.63, 0.00395815/step Wall: 3497.63, 0.00395815/step, 1.77633 hours remaining, 113.171875 MB of memory in use. ENERGY: 884400 648.9443 1900.1559 2006.6971 93.5469 -0.2911 -1041.1383 0.0000 0.0000 2749.9127 6357.8276 303.7355 3607.9149 6391.8623 305.0834 PRESSURE: 884600 0 0 0 0 0 0 0 0 0 GPRESSURE: 884600 0 0 0 0 0 0 0 0 0 PRESSAVG: 884600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 884600 0 0 0 0 0 0 0 0 0 TIMING: 884600 CPU: 3498.42, 0.00394745/step Wall: 3498.42, 0.00394744/step, 1.7713 hours remaining, 113.171875 MB of memory in use. ENERGY: 884600 729.4774 1833.0692 2012.2623 99.1146 1.0216 -1085.8325 0.0000 0.0000 2764.2497 6353.3622 305.3191 3589.1125 6389.6532 304.0678 PRESSURE: 884800 0 0 0 0 0 0 0 0 0 GPRESSURE: 884800 0 0 0 0 0 0 0 0 0 PRESSAVG: 884800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 884800 0 0 0 0 0 0 0 0 0 TIMING: 884800 CPU: 3499.21, 0.00396589/step Wall: 3499.21, 0.0039659/step, 1.77936 hours remaining, 113.171875 MB of memory in use. ENERGY: 884800 659.4451 1883.7120 1967.5783 116.4730 1.6568 -1067.3674 0.0000 0.0000 2720.4853 6281.9832 300.4852 3561.4979 6312.5200 303.1805 PRESSURE: 885000 0 0 0 0 0 0 0 0 0 GPRESSURE: 885000 0 0 0 0 0 0 0 0 0 PRESSAVG: 885000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 885000 0 0 0 0 0 0 0 0 0 TIMING: 885000 CPU: 3500, 0.00395298/step Wall: 3500, 0.00395298/step, 1.77335 hours remaining, 113.171875 MB of memory in use. ENERGY: 885000 685.0489 1909.2078 1978.2501 111.3894 1.4164 -1104.2296 0.0000 0.0000 2715.2930 6296.3759 299.9117 3581.0829 6328.2415 302.3903 PRESSURE: 885200 0 0 0 0 0 0 0 0 0 GPRESSURE: 885200 0 0 0 0 0 0 0 0 0 PRESSAVG: 885200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 885200 0 0 0 0 0 0 0 0 0 TIMING: 885200 CPU: 3500.8, 0.00395418/step Wall: 3500.8, 0.00395418/step, 1.77367 hours remaining, 113.171875 MB of memory in use. ENERGY: 885200 635.1120 1863.6072 1961.6435 102.8977 0.8509 -1026.6524 0.0000 0.0000 2764.8936 6302.3525 305.3902 3537.4589 6335.1825 303.7540 PRESSURE: 885400 0 0 0 0 0 0 0 0 0 GPRESSURE: 885400 0 0 0 0 0 0 0 0 0 PRESSAVG: 885400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 885400 0 0 0 0 0 0 0 0 0 TIMING: 885400 CPU: 3501.59, 0.00395653/step Wall: 3501.59, 0.00395653/step, 1.7745 hours remaining, 113.171875 MB of memory in use. ENERGY: 885400 649.6855 1842.0599 2001.3141 108.1835 2.4158 -1037.9635 0.0000 0.0000 2736.8520 6302.5473 302.2929 3565.6953 6338.4395 303.2011 PRESSURE: 885600 0 0 0 0 0 0 0 0 0 GPRESSURE: 885600 0 0 0 0 0 0 0 0 0 PRESSAVG: 885600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 885600 0 0 0 0 0 0 0 0 0 TIMING: 885600 CPU: 3502.38, 0.00394912/step Wall: 3502.38, 0.00394912/step, 1.77096 hours remaining, 113.171875 MB of memory in use. ENERGY: 885600 682.3124 1852.1647 1995.2710 108.4970 0.3409 -1086.3376 0.0000 0.0000 2711.2593 6263.5078 299.4661 3552.2484 6296.3092 299.3959 PRESSURE: 885800 0 0 0 0 0 0 0 0 0 GPRESSURE: 885800 0 0 0 0 0 0 0 0 0 PRESSAVG: 885800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 885800 0 0 0 0 0 0 0 0 0 TIMING: 885800 CPU: 3503.17, 0.0039552/step Wall: 3503.17, 0.0039552/step, 1.77347 hours remaining, 113.171875 MB of memory in use. ENERGY: 885800 644.2919 1838.6260 1994.2388 109.5643 0.4961 -1065.8657 0.0000 0.0000 2740.4069 6261.7582 302.6856 3521.3513 6295.9940 300.0364 PRESSURE: 886000 0 0 0 0 0 0 0 0 0 GPRESSURE: 886000 0 0 0 0 0 0 0 0 0 PRESSAVG: 886000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 886000 0 0 0 0 0 0 0 0 0 TIMING: 886000 CPU: 3503.96, 0.00395369/step Wall: 3503.96, 0.00395369/step, 1.77257 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 886000 666.1361 1861.6649 1975.0677 107.4904 2.3574 -1095.5494 0.0000 0.0000 2731.5226 6248.6897 301.7043 3517.1671 6283.5170 302.7062 PRESSURE: 886200 0 0 0 0 0 0 0 0 0 GPRESSURE: 886200 0 0 0 0 0 0 0 0 0 PRESSAVG: 886200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 886200 0 0 0 0 0 0 0 0 0 TIMING: 886200 CPU: 3504.75, 0.00395493/step Wall: 3504.75, 0.00395493/step, 1.77291 hours remaining, 113.171875 MB of memory in use. ENERGY: 886200 667.0337 1836.0819 1984.2709 102.7530 1.6858 -1055.9210 0.0000 0.0000 2739.5355 6275.4398 302.5893 3535.9043 6308.3922 301.2380 PRESSURE: 886400 0 0 0 0 0 0 0 0 0 GPRESSURE: 886400 0 0 0 0 0 0 0 0 0 PRESSAVG: 886400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 886400 0 0 0 0 0 0 0 0 0 TIMING: 886400 CPU: 3505.54, 0.00395283/step Wall: 3505.54, 0.00395283/step, 1.77175 hours remaining, 113.171875 MB of memory in use. ENERGY: 886400 674.2531 1840.4271 1981.4824 100.6945 1.4540 -1082.8155 0.0000 0.0000 2734.1055 6249.6013 301.9896 3515.4957 6282.2311 302.1606 PRESSURE: 886600 0 0 0 0 0 0 0 0 0 GPRESSURE: 886600 0 0 0 0 0 0 0 0 0 PRESSAVG: 886600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 886600 0 0 0 0 0 0 0 0 0 TIMING: 886600 CPU: 3506.33, 0.00394953/step Wall: 3506.33, 0.00394953/step, 1.77005 hours remaining, 113.171875 MB of memory in use. ENERGY: 886600 627.0449 1868.7020 1982.7235 119.7251 1.4742 -1092.2255 0.0000 0.0000 2721.0461 6228.4904 300.5471 3507.4443 6259.0484 301.8999 PRESSURE: 886800 0 0 0 0 0 0 0 0 0 GPRESSURE: 886800 0 0 0 0 0 0 0 0 0 PRESSAVG: 886800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 886800 0 0 0 0 0 0 0 0 0 TIMING: 886800 CPU: 3507.12, 0.0039534/step Wall: 3507.12, 0.0039534/step, 1.77156 hours remaining, 113.171875 MB of memory in use. ENERGY: 886800 672.1610 1845.9674 1988.0344 103.1233 1.6402 -1054.8779 0.0000 0.0000 2764.5835 6320.6319 305.3559 3556.0484 6352.5751 302.4914 PRESSURE: 887000 0 0 0 0 0 0 0 0 0 GPRESSURE: 887000 0 0 0 0 0 0 0 0 0 PRESSAVG: 887000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 887000 0 0 0 0 0 0 0 0 0 TIMING: 887000 CPU: 3507.91, 0.00395309/step Wall: 3507.91, 0.00395309/step, 1.77121 hours remaining, 113.171875 MB of memory in use. ENERGY: 887000 670.8071 1884.3611 1970.1527 114.4224 0.2570 -1065.6182 0.0000 0.0000 2714.5905 6288.9726 299.8341 3574.3821 6321.8176 302.5902 PRESSURE: 887200 0 0 0 0 0 0 0 0 0 GPRESSURE: 887200 0 0 0 0 0 0 0 0 0 PRESSAVG: 887200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 887200 0 0 0 0 0 0 0 0 0 TIMING: 887200 CPU: 3508.7, 0.00395397/step Wall: 3508.7, 0.00395397/step, 1.77138 hours remaining, 113.171875 MB of memory in use. ENERGY: 887200 687.2237 1785.4704 2021.2443 98.6068 1.3682 -1081.4599 0.0000 0.0000 2733.9828 6246.4363 301.9760 3512.4536 6281.2467 301.0631 PRESSURE: 887400 0 0 0 0 0 0 0 0 0 GPRESSURE: 887400 0 0 0 0 0 0 0 0 0 PRESSAVG: 887400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 887400 0 0 0 0 0 0 0 0 0 TIMING: 887400 CPU: 3509.49, 0.00394898/step Wall: 3509.49, 0.00394898/step, 1.76893 hours remaining, 113.171875 MB of memory in use. ENERGY: 887400 676.9882 1840.5122 2007.3015 108.1728 0.4897 -1063.0408 0.0000 0.0000 2728.6148 6299.0383 301.3831 3570.4235 6332.7740 302.3509 PRESSURE: 887600 0 0 0 0 0 0 0 0 0 GPRESSURE: 887600 0 0 0 0 0 0 0 0 0 PRESSAVG: 887600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 887600 0 0 0 0 0 0 0 0 0 TIMING: 887600 CPU: 3510.28, 0.003959/step Wall: 3510.28, 0.003959/step, 1.77319 hours remaining, 113.171875 MB of memory in use. ENERGY: 887600 665.1332 1838.2433 2013.3414 119.1241 0.5917 -1081.3896 0.0000 0.0000 2735.9050 6290.9490 302.1883 3555.0440 6326.3745 304.2480 PRESSURE: 887800 0 0 0 0 0 0 0 0 0 GPRESSURE: 887800 0 0 0 0 0 0 0 0 0 PRESSAVG: 887800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 887800 0 0 0 0 0 0 0 0 0 TIMING: 887800 CPU: 3511.07, 0.00395418/step Wall: 3511.07, 0.00395418/step, 1.77081 hours remaining, 113.171875 MB of memory in use. ENERGY: 887800 682.8299 1861.8008 1964.3065 99.4814 0.3377 -1081.6516 0.0000 0.0000 2716.4036 6243.5083 300.0343 3527.1047 6272.7962 301.4552 PRESSURE: 888000 0 0 0 0 0 0 0 0 0 GPRESSURE: 888000 0 0 0 0 0 0 0 0 0 PRESSAVG: 888000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 888000 0 0 0 0 0 0 0 0 0 TIMING: 888000 CPU: 3511.87, 0.0039523/step Wall: 3511.87, 0.0039523/step, 1.76975 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 888000 665.6837 1898.1288 1979.4500 106.9590 -0.1528 -1076.2206 0.0000 0.0000 2630.0378 6203.8858 290.4950 3573.8480 6235.0400 297.5852 PRESSURE: 888200 0 0 0 0 0 0 0 0 0 GPRESSURE: 888200 0 0 0 0 0 0 0 0 0 PRESSAVG: 888200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 888200 0 0 0 0 0 0 0 0 0 TIMING: 888200 CPU: 3512.66, 0.00395308/step Wall: 3512.66, 0.00395308/step, 1.76988 hours remaining, 113.171875 MB of memory in use. ENERGY: 888200 643.5883 1854.7536 1963.0537 97.2108 0.5068 -1044.4799 0.0000 0.0000 2703.9046 6218.5379 298.6538 3514.6334 6250.7896 298.5801 LDB: ============= START OF LOAD BALANCING ============== 3515.62 LDB: ============== END OF LOAD BALANCING =============== 3515.62 LDB: =============== DONE WITH MIGRATION ================ 3515.62 LDB: ============= START OF LOAD BALANCING ============== 3516.01 LDB: ============== END OF LOAD BALANCING =============== 3516.01 LDB: =============== DONE WITH MIGRATION ================ 3516.01 PRESSURE: 888400 0 0 0 0 0 0 0 0 0 GPRESSURE: 888400 0 0 0 0 0 0 0 0 0 PRESSAVG: 888400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 888400 0 0 0 0 0 0 0 0 0 TIMING: 888400 CPU: 3513.45, 0.00395409/step Wall: 3513.45, 0.00395409/step, 1.77011 hours remaining, 113.171875 MB of memory in use. ENERGY: 888400 718.8618 1811.6967 1998.9023 109.5015 -0.8638 -1121.4410 0.0000 0.0000 2754.2142 6270.8718 304.2106 3516.6575 6305.9500 300.4092 PRESSURE: 888600 0 0 0 0 0 0 0 0 0 GPRESSURE: 888600 0 0 0 0 0 0 0 0 0 PRESSAVG: 888600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 888600 0 0 0 0 0 0 0 0 0 TIMING: 888600 CPU: 3514.24, 0.00395204/step Wall: 3514.24, 0.00395204/step, 1.76898 hours remaining, 113.171875 MB of memory in use. ENERGY: 888600 629.3182 1826.3845 2010.8654 107.0666 0.7572 -1058.3573 0.0000 0.0000 2783.4365 6299.4710 307.4383 3516.0345 6334.8578 304.1017 PRESSURE: 888800 0 0 0 0 0 0 0 0 0 GPRESSURE: 888800 0 0 0 0 0 0 0 0 0 PRESSAVG: 888800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 888800 0 0 0 0 0 0 0 0 0 TIMING: 888800 CPU: 3515.03, 0.00395243/step Wall: 3515.03, 0.00395243/step, 1.76893 hours remaining, 113.171875 MB of memory in use. ENERGY: 888800 658.6900 1871.6915 1986.3854 102.6106 1.1349 -1076.5729 0.0000 0.0000 2700.6838 6244.6232 298.2980 3543.9394 6277.0481 301.4059 PRESSURE: 889000 0 0 0 0 0 0 0 0 0 GPRESSURE: 889000 0 0 0 0 0 0 0 0 0 PRESSAVG: 889000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 889000 0 0 0 0 0 0 0 0 0 TIMING: 889000 CPU: 3515.82, 0.00395385/step Wall: 3515.82, 0.00395385/step, 1.76935 hours remaining, 113.171875 MB of memory in use. ENERGY: 889000 651.9221 1814.1175 1997.7978 103.1929 0.8721 -1028.0759 0.0000 0.0000 2750.9298 6290.7563 303.8479 3539.8265 6322.4485 300.9577 PRESSURE: 889200 0 0 0 0 0 0 0 0 0 GPRESSURE: 889200 0 0 0 0 0 0 0 0 0 PRESSAVG: 889200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 889200 0 0 0 0 0 0 0 0 0 TIMING: 889200 CPU: 3516.61, 0.00395464/step Wall: 3516.61, 0.00395464/step, 1.76948 hours remaining, 113.171875 MB of memory in use. ENERGY: 889200 647.3779 1841.8543 2020.0120 109.0793 2.2797 -1072.6497 0.0000 0.0000 2708.1436 6256.0971 299.1220 3547.9534 6288.3039 302.8569 PRESSURE: 889400 0 0 0 0 0 0 0 0 0 GPRESSURE: 889400 0 0 0 0 0 0 0 0 0 PRESSAVG: 889400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 889400 0 0 0 0 0 0 0 0 0 TIMING: 889400 CPU: 3517.4, 0.00394872/step Wall: 3517.4, 0.00394872/step, 1.76661 hours remaining, 113.171875 MB of memory in use. ENERGY: 889400 651.3333 1812.0379 2011.4852 103.9252 0.5601 -1090.6281 0.0000 0.0000 2724.4705 6213.1841 300.9254 3488.7136 6247.4357 300.2347 PRESSURE: 889600 0 0 0 0 0 0 0 0 0 GPRESSURE: 889600 0 0 0 0 0 0 0 0 0 PRESSAVG: 889600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 889600 0 0 0 0 0 0 0 0 0 TIMING: 889600 CPU: 3518.19, 0.00395428/step Wall: 3518.19, 0.00395428/step, 1.76888 hours remaining, 113.171875 MB of memory in use. ENERGY: 889600 667.1103 1866.3571 2003.4518 100.2721 0.7708 -1106.9863 0.0000 0.0000 2642.7186 6173.6944 291.8956 3530.9758 6206.5043 297.7504 PRESSURE: 889800 0 0 0 0 0 0 0 0 0 GPRESSURE: 889800 0 0 0 0 0 0 0 0 0 PRESSAVG: 889800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 889800 0 0 0 0 0 0 0 0 0 TIMING: 889800 CPU: 3518.98, 0.0039529/step Wall: 3518.98, 0.0039529/step, 1.76804 hours remaining, 113.171875 MB of memory in use. ENERGY: 889800 643.5475 1857.7088 1987.6171 115.7108 1.2876 -1054.6500 0.0000 0.0000 2731.5250 6282.7467 301.7045 3551.2217 6313.7279 299.9173 PRESSURE: 890000 0 0 0 0 0 0 0 0 0 GPRESSURE: 890000 0 0 0 0 0 0 0 0 0 PRESSAVG: 890000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 890000 0 0 0 0 0 0 0 0 0 TIMING: 890000 CPU: 3519.77, 0.00395396/step Wall: 3519.77, 0.00395396/step, 1.7683 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 890000 646.6221 1847.4747 2003.0449 111.0185 1.4223 -1066.3070 0.0000 0.0000 2729.9224 6273.1980 301.5275 3543.2756 6307.9430 302.3846 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 890000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 890000 WRITING COORDINATES TO RESTART FILE AT STEP 890000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 890000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 890200 0 0 0 0 0 0 0 0 0 GPRESSURE: 890200 0 0 0 0 0 0 0 0 0 PRESSAVG: 890200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 890200 0 0 0 0 0 0 0 0 0 TIMING: 890200 CPU: 3520.6, 0.0041432/step Wall: 3520.6, 0.0041432/step, 1.8527 hours remaining, 113.171875 MB of memory in use. ENERGY: 890200 665.5511 1807.8623 2007.0151 113.6261 1.3211 -1061.5400 0.0000 0.0000 2701.9399 6235.7756 298.4368 3533.8358 6268.8293 298.9918 PRESSURE: 890400 0 0 0 0 0 0 0 0 0 GPRESSURE: 890400 0 0 0 0 0 0 0 0 0 PRESSAVG: 890400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 890400 0 0 0 0 0 0 0 0 0 TIMING: 890400 CPU: 3521.39, 0.00394914/step Wall: 3521.39, 0.00394914/step, 1.7657 hours remaining, 113.171875 MB of memory in use. ENERGY: 890400 641.4216 1843.3121 1991.7645 104.7962 1.8168 -1069.5032 0.0000 0.0000 2747.7548 6261.3627 303.4972 3513.6080 6295.6167 300.0423 PRESSURE: 890600 0 0 0 0 0 0 0 0 0 GPRESSURE: 890600 0 0 0 0 0 0 0 0 0 PRESSAVG: 890600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 890600 0 0 0 0 0 0 0 0 0 TIMING: 890600 CPU: 3522.18, 0.00395957/step Wall: 3522.18, 0.00395957/step, 1.77015 hours remaining, 113.171875 MB of memory in use. ENERGY: 890600 683.3446 1843.5820 1989.3878 102.7212 1.7594 -1090.4838 0.0000 0.0000 2807.6504 6337.9617 310.1128 3530.3113 6371.6427 303.4355 PRESSURE: 890800 0 0 0 0 0 0 0 0 0 GPRESSURE: 890800 0 0 0 0 0 0 0 0 0 PRESSAVG: 890800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 890800 0 0 0 0 0 0 0 0 0 TIMING: 890800 CPU: 3522.97, 0.00395713/step Wall: 3522.97, 0.00395713/step, 1.76884 hours remaining, 113.171875 MB of memory in use. ENERGY: 890800 676.2719 1843.0016 2026.3652 117.3710 2.4195 -1091.9766 0.0000 0.0000 2820.6615 6394.1141 311.5499 3573.4526 6430.7265 308.3054 PRESSURE: 891000 0 0 0 0 0 0 0 0 0 GPRESSURE: 891000 0 0 0 0 0 0 0 0 0 PRESSAVG: 891000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 891000 0 0 0 0 0 0 0 0 0 TIMING: 891000 CPU: 3523.76, 0.00395809/step Wall: 3523.76, 0.00395809/step, 1.76904 hours remaining, 113.171875 MB of memory in use. ENERGY: 891000 668.3537 1885.6977 1997.0425 106.5619 2.4498 -1091.0548 0.0000 0.0000 2765.0681 6334.1187 305.4095 3569.0506 6368.4428 308.6660 PRESSURE: 891200 0 0 0 0 0 0 0 0 0 GPRESSURE: 891200 0 0 0 0 0 0 0 0 0 PRESSAVG: 891200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 891200 0 0 0 0 0 0 0 0 0 TIMING: 891200 CPU: 3524.55, 0.0039484/step Wall: 3524.55, 0.0039484/step, 1.7645 hours remaining, 113.171875 MB of memory in use. ENERGY: 891200 671.8075 1896.2241 2009.6215 102.6114 3.8499 -1092.9624 0.0000 0.0000 2743.2967 6334.4488 303.0048 3591.1521 6368.0567 305.4637 PRESSURE: 891400 0 0 0 0 0 0 0 0 0 GPRESSURE: 891400 0 0 0 0 0 0 0 0 0 PRESSAVG: 891400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 891400 0 0 0 0 0 0 0 0 0 TIMING: 891400 CPU: 3525.34, 0.00395291/step Wall: 3525.34, 0.00395291/step, 1.76629 hours remaining, 113.171875 MB of memory in use. ENERGY: 891400 683.8021 1868.2421 1974.1606 114.2762 3.2091 -1085.0187 0.0000 0.0000 2734.0969 6292.7682 301.9886 3558.6713 6323.1140 303.8999 PRESSURE: 891600 0 0 0 0 0 0 0 0 0 GPRESSURE: 891600 0 0 0 0 0 0 0 0 0 PRESSAVG: 891600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 891600 0 0 0 0 0 0 0 0 0 TIMING: 891600 CPU: 3526.14, 0.00395231/step Wall: 3526.14, 0.00395231/step, 1.7658 hours remaining, 113.171875 MB of memory in use. ENERGY: 891600 642.2143 1823.5399 1985.1191 115.6273 2.5352 -1042.5027 0.0000 0.0000 2764.3880 6290.9212 305.3344 3526.5332 6325.3718 303.7954 PRESSURE: 891800 0 0 0 0 0 0 0 0 0 GPRESSURE: 891800 0 0 0 0 0 0 0 0 0 PRESSAVG: 891800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 891800 0 0 0 0 0 0 0 0 0 TIMING: 891800 CPU: 3526.93, 0.00395165/step Wall: 3526.93, 0.00395165/step, 1.76529 hours remaining, 113.171875 MB of memory in use. ENERGY: 891800 648.8421 1842.0052 2002.2236 105.3303 1.4576 -1028.0812 0.0000 0.0000 2674.7036 6246.4812 295.4285 3571.7776 6279.9021 300.3472 PRESSURE: 892000 0 0 0 0 0 0 0 0 0 GPRESSURE: 892000 0 0 0 0 0 0 0 0 0 PRESSAVG: 892000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 892000 0 0 0 0 0 0 0 0 0 TIMING: 892000 CPU: 3527.72, 0.00395205/step Wall: 3527.72, 0.00395205/step, 1.76525 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 892000 656.3199 1806.4536 1986.0037 100.2912 3.5078 -1085.4887 0.0000 0.0000 2735.5162 6202.6037 302.1454 3467.0875 6237.8349 297.7889 PRESSURE: 892200 0 0 0 0 0 0 0 0 0 GPRESSURE: 892200 0 0 0 0 0 0 0 0 0 PRESSAVG: 892200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 892200 0 0 0 0 0 0 0 0 0 TIMING: 892200 CPU: 3528.51, 0.00394619/step Wall: 3528.51, 0.00394619/step, 1.76241 hours remaining, 113.171875 MB of memory in use. ENERGY: 892200 657.8846 1828.7502 1999.8530 117.5407 4.2952 -1113.3384 0.0000 0.0000 2704.5169 6199.5023 298.7214 3494.9855 6233.2695 297.8272 LDB: ============= START OF LOAD BALANCING ============== 3531.47 LDB: ============== END OF LOAD BALANCING =============== 3531.47 LDB: =============== DONE WITH MIGRATION ================ 3531.47 LDB: ============= START OF LOAD BALANCING ============== 3531.86 LDB: ============== END OF LOAD BALANCING =============== 3531.86 LDB: =============== DONE WITH MIGRATION ================ 3531.86 PRESSURE: 892400 0 0 0 0 0 0 0 0 0 GPRESSURE: 892400 0 0 0 0 0 0 0 0 0 PRESSAVG: 892400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 892400 0 0 0 0 0 0 0 0 0 TIMING: 892400 CPU: 3529.3, 0.00395745/step Wall: 3529.3, 0.00395745/step, 1.76722 hours remaining, 113.171875 MB of memory in use. ENERGY: 892400 666.6082 1817.0755 1987.9905 117.3930 2.6717 -1084.8524 0.0000 0.0000 2707.8204 6214.7068 299.0863 3506.8864 6247.3498 298.0519 PRESSURE: 892600 0 0 0 0 0 0 0 0 0 GPRESSURE: 892600 0 0 0 0 0 0 0 0 0 PRESSAVG: 892600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 892600 0 0 0 0 0 0 0 0 0 TIMING: 892600 CPU: 3530.09, 0.00395236/step Wall: 3530.09, 0.00395236/step, 1.76473 hours remaining, 113.171875 MB of memory in use. ENERGY: 892600 633.4126 1815.0903 1987.9872 106.6671 1.9272 -1081.6540 0.0000 0.0000 2740.6911 6204.1215 302.7170 3463.4304 6240.1311 299.0751 PRESSURE: 892800 0 0 0 0 0 0 0 0 0 GPRESSURE: 892800 0 0 0 0 0 0 0 0 0 PRESSAVG: 892800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 892800 0 0 0 0 0 0 0 0 0 TIMING: 892800 CPU: 3530.88, 0.00395036/step Wall: 3530.88, 0.00395036/step, 1.76361 hours remaining, 113.171875 MB of memory in use. ENERGY: 892800 660.1098 1841.6910 2009.3945 104.1744 2.2860 -1092.9170 0.0000 0.0000 2648.2787 6173.0174 292.5098 3524.7387 6204.2125 299.6208 PRESSURE: 893000 0 0 0 0 0 0 0 0 0 GPRESSURE: 893000 0 0 0 0 0 0 0 0 0 PRESSAVG: 893000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 893000 0 0 0 0 0 0 0 0 0 TIMING: 893000 CPU: 3531.67, 0.00395293/step Wall: 3531.67, 0.00395293/step, 1.76454 hours remaining, 113.171875 MB of memory in use. ENERGY: 893000 672.7570 1839.3426 1990.1461 106.5876 2.1187 -1086.4114 0.0000 0.0000 2676.8853 6201.4260 295.6694 3524.5407 6231.4241 296.5434 PRESSURE: 893200 0 0 0 0 0 0 0 0 0 GPRESSURE: 893200 0 0 0 0 0 0 0 0 0 PRESSAVG: 893200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 893200 0 0 0 0 0 0 0 0 0 TIMING: 893200 CPU: 3532.46, 0.00394648/step Wall: 3532.46, 0.00394647/step, 1.76144 hours remaining, 113.171875 MB of memory in use. ENERGY: 893200 631.7140 1864.4518 2008.1734 105.8000 2.4401 -1101.9843 0.0000 0.0000 2631.6883 6142.2833 290.6773 3510.5950 6174.0916 295.2609 PRESSURE: 893400 0 0 0 0 0 0 0 0 0 GPRESSURE: 893400 0 0 0 0 0 0 0 0 0 PRESSAVG: 893400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 893400 0 0 0 0 0 0 0 0 0 TIMING: 893400 CPU: 3533.25, 0.00395138/step Wall: 3533.25, 0.00395138/step, 1.76341 hours remaining, 113.171875 MB of memory in use. ENERGY: 893400 662.9586 1765.2869 1964.8653 103.6306 2.5531 -1107.1799 0.0000 0.0000 2702.9375 6095.0521 298.5470 3392.1146 6129.5072 293.6009 PRESSURE: 893600 0 0 0 0 0 0 0 0 0 GPRESSURE: 893600 0 0 0 0 0 0 0 0 0 PRESSAVG: 893600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 893600 0 0 0 0 0 0 0 0 0 TIMING: 893600 CPU: 3534.04, 0.00395085/step Wall: 3534.04, 0.00395085/step, 1.76296 hours remaining, 113.171875 MB of memory in use. ENERGY: 893600 640.7754 1842.5120 1971.2281 95.4857 3.1362 -1068.4295 0.0000 0.0000 2702.8558 6187.5637 298.5380 3484.7078 6220.4850 295.5157 PRESSURE: 893800 0 0 0 0 0 0 0 0 0 GPRESSURE: 893800 0 0 0 0 0 0 0 0 0 PRESSAVG: 893800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 893800 0 0 0 0 0 0 0 0 0 TIMING: 893800 CPU: 3534.83, 0.00395072/step Wall: 3534.83, 0.00395072/step, 1.76268 hours remaining, 113.171875 MB of memory in use. ENERGY: 893800 673.0376 1784.7591 1962.1318 106.9027 2.2016 -1081.0061 0.0000 0.0000 2689.4388 6137.4655 297.0560 3448.0267 6168.6857 297.4744 PRESSURE: 894000 0 0 0 0 0 0 0 0 0 GPRESSURE: 894000 0 0 0 0 0 0 0 0 0 PRESSAVG: 894000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 894000 0 0 0 0 0 0 0 0 0 TIMING: 894000 CPU: 3535.62, 0.00395319/step Wall: 3535.62, 0.00395319/step, 1.76356 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 894000 659.2302 1834.7513 2005.0064 102.6699 1.5336 -1102.9231 0.0000 0.0000 2631.4449 6131.7132 290.6504 3500.2683 6162.0957 293.9869 PRESSURE: 894200 0 0 0 0 0 0 0 0 0 GPRESSURE: 894200 0 0 0 0 0 0 0 0 0 PRESSAVG: 894200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 894200 0 0 0 0 0 0 0 0 0 TIMING: 894200 CPU: 3536.41, 0.00394716/step Wall: 3536.41, 0.00394716/step, 1.76065 hours remaining, 113.171875 MB of memory in use. ENERGY: 894200 620.4195 1777.5959 1990.8640 126.3130 1.0982 -1067.8890 0.0000 0.0000 2669.0187 6117.4204 294.8006 3448.4017 6148.6280 294.3970 PRESSURE: 894400 0 0 0 0 0 0 0 0 0 GPRESSURE: 894400 0 0 0 0 0 0 0 0 0 PRESSAVG: 894400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 894400 0 0 0 0 0 0 0 0 0 TIMING: 894400 CPU: 3537.2, 0.00395335/step Wall: 3537.2, 0.00395335/step, 1.76319 hours remaining, 113.171875 MB of memory in use. ENERGY: 894400 650.2035 1780.3466 1984.3522 99.8002 1.2681 -1069.2413 0.0000 0.0000 2733.8666 6180.5959 301.9632 3446.7294 6213.8637 296.1959 PRESSURE: 894600 0 0 0 0 0 0 0 0 0 GPRESSURE: 894600 0 0 0 0 0 0 0 0 0 PRESSAVG: 894600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 894600 0 0 0 0 0 0 0 0 0 TIMING: 894600 CPU: 3537.99, 0.00395207/step Wall: 3537.99, 0.00395207/step, 1.7624 hours remaining, 113.171875 MB of memory in use. ENERGY: 894600 616.2961 1840.1493 1968.4834 114.7869 2.0537 -1073.6642 0.0000 0.0000 2742.9873 6211.0925 302.9706 3468.1052 6245.5981 297.6658 PRESSURE: 894800 0 0 0 0 0 0 0 0 0 GPRESSURE: 894800 0 0 0 0 0 0 0 0 0 PRESSAVG: 894800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 894800 0 0 0 0 0 0 0 0 0 TIMING: 894800 CPU: 3538.78, 0.00396337/step Wall: 3538.78, 0.00396337/step, 1.76722 hours remaining, 113.171875 MB of memory in use. ENERGY: 894800 677.1841 1781.9341 2016.6403 118.5378 1.2669 -1082.2739 0.0000 0.0000 2683.7606 6197.0498 296.4288 3513.2891 6232.1149 298.2611 PRESSURE: 895000 0 0 0 0 0 0 0 0 0 GPRESSURE: 895000 0 0 0 0 0 0 0 0 0 PRESSAVG: 895000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 895000 0 0 0 0 0 0 0 0 0 TIMING: 895000 CPU: 3539.57, 0.00394776/step Wall: 3539.57, 0.00394776/step, 1.76005 hours remaining, 113.171875 MB of memory in use. ENERGY: 895000 604.4954 1837.5722 2005.3736 117.2633 1.3350 -1050.2956 0.0000 0.0000 2650.3064 6166.0502 292.7337 3515.7438 6199.8034 296.6123 PRESSURE: 895200 0 0 0 0 0 0 0 0 0 GPRESSURE: 895200 0 0 0 0 0 0 0 0 0 PRESSAVG: 895200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 895200 0 0 0 0 0 0 0 0 0 TIMING: 895200 CPU: 3540.36, 0.00395256/step Wall: 3540.36, 0.00395256/step, 1.76196 hours remaining, 113.171875 MB of memory in use. ENERGY: 895200 653.6529 1798.9700 1988.5328 101.1346 1.7031 -1048.1523 0.0000 0.0000 2711.2801 6207.1212 299.4684 3495.8411 6240.2042 297.3395 PRESSURE: 895400 0 0 0 0 0 0 0 0 0 GPRESSURE: 895400 0 0 0 0 0 0 0 0 0 PRESSAVG: 895400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 895400 0 0 0 0 0 0 0 0 0 TIMING: 895400 CPU: 3541.15, 0.0039522/step Wall: 3541.15, 0.0039522/step, 1.76159 hours remaining, 113.171875 MB of memory in use. ENERGY: 895400 649.0816 1830.2793 1992.6090 108.8969 2.4966 -1055.1872 0.0000 0.0000 2695.6988 6223.8751 297.7474 3528.1763 6257.1877 297.2709 PRESSURE: 895600 0 0 0 0 0 0 0 0 0 GPRESSURE: 895600 0 0 0 0 0 0 0 0 0 PRESSAVG: 895600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 895600 0 0 0 0 0 0 0 0 0 TIMING: 895600 CPU: 3541.94, 0.00395083/step Wall: 3541.94, 0.00395083/step, 1.76075 hours remaining, 113.171875 MB of memory in use. ENERGY: 895600 636.4455 1846.2791 2005.3975 106.8475 2.7064 -1052.1001 0.0000 0.0000 2670.3321 6215.9080 294.9456 3545.5759 6246.7521 298.1934 PRESSURE: 895800 0 0 0 0 0 0 0 0 0 GPRESSURE: 895800 0 0 0 0 0 0 0 0 0 PRESSAVG: 895800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 895800 0 0 0 0 0 0 0 0 0 TIMING: 895800 CPU: 3542.73, 0.00395184/step Wall: 3542.73, 0.00395184/step, 1.76099 hours remaining, 113.171875 MB of memory in use. ENERGY: 895800 614.9750 1817.5601 1996.9000 110.6721 3.0147 -1049.1827 0.0000 0.0000 2753.8777 6247.8169 304.1735 3493.9392 6283.2107 298.9262 PRESSURE: 896000 0 0 0 0 0 0 0 0 0 GPRESSURE: 896000 0 0 0 0 0 0 0 0 0 PRESSAVG: 896000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 896000 0 0 0 0 0 0 0 0 0 TIMING: 896000 CPU: 3543.52, 0.00394689/step Wall: 3543.52, 0.00394689/step, 1.75856 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 896000 662.8574 1815.2184 2011.4454 124.5615 0.3325 -1049.3524 0.0000 0.0000 2671.6539 6236.7168 295.0916 3565.0628 6267.7672 298.5111 PRESSURE: 896200 0 0 0 0 0 0 0 0 0 GPRESSURE: 896200 0 0 0 0 0 0 0 0 0 PRESSAVG: 896200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 896200 0 0 0 0 0 0 0 0 0 TIMING: 896200 CPU: 3544.31, 0.00395085/step Wall: 3544.31, 0.00395085/step, 1.76011 hours remaining, 113.171875 MB of memory in use. ENERGY: 896200 645.4794 1836.7018 1975.9733 111.8815 1.6351 -1069.1797 0.0000 0.0000 2792.1284 6294.6198 308.3984 3502.4914 6326.9287 300.9771 LDB: ============= START OF LOAD BALANCING ============== 3547.27 LDB: ============== END OF LOAD BALANCING =============== 3547.27 LDB: =============== DONE WITH MIGRATION ================ 3547.27 LDB: ============= START OF LOAD BALANCING ============== 3547.67 LDB: ============== END OF LOAD BALANCING =============== 3547.67 LDB: =============== DONE WITH MIGRATION ================ 3547.67 PRESSURE: 896400 0 0 0 0 0 0 0 0 0 GPRESSURE: 896400 0 0 0 0 0 0 0 0 0 PRESSAVG: 896400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 896400 0 0 0 0 0 0 0 0 0 TIMING: 896400 CPU: 3545.1, 0.00395595/step Wall: 3545.1, 0.00395595/step, 1.76216 hours remaining, 113.171875 MB of memory in use. ENERGY: 896400 669.6121 1828.4139 1970.0436 114.5558 1.0994 -1042.7766 0.0000 0.0000 2717.3945 6258.3427 300.1438 3540.9482 6292.5421 301.0293 PRESSURE: 896600 0 0 0 0 0 0 0 0 0 GPRESSURE: 896600 0 0 0 0 0 0 0 0 0 PRESSAVG: 896600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 896600 0 0 0 0 0 0 0 0 0 TIMING: 896600 CPU: 3545.89, 0.00395123/step Wall: 3545.89, 0.00395123/step, 1.75983 hours remaining, 113.171875 MB of memory in use. ENERGY: 896600 639.0550 1828.2185 1969.9187 106.3812 0.4662 -1056.3557 0.0000 0.0000 2734.4261 6222.1099 302.0250 3487.6838 6258.9411 298.9613 PRESSURE: 896800 0 0 0 0 0 0 0 0 0 GPRESSURE: 896800 0 0 0 0 0 0 0 0 0 PRESSAVG: 896800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 896800 0 0 0 0 0 0 0 0 0 TIMING: 896800 CPU: 3546.68, 0.0039517/step Wall: 3546.68, 0.0039517/step, 1.75982 hours remaining, 113.171875 MB of memory in use. ENERGY: 896800 661.1543 1822.9551 1985.0375 102.5699 0.8336 -1066.2084 0.0000 0.0000 2715.2783 6221.6203 299.9101 3506.3420 6254.1132 299.9071 PRESSURE: 897000 0 0 0 0 0 0 0 0 0 GPRESSURE: 897000 0 0 0 0 0 0 0 0 0 PRESSAVG: 897000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 897000 0 0 0 0 0 0 0 0 0 TIMING: 897000 CPU: 3547.47, 0.00394788/step Wall: 3547.47, 0.00394788/step, 1.7579 hours remaining, 113.171875 MB of memory in use. ENERGY: 897000 656.4917 1818.4194 2011.7767 102.0076 0.5285 -1088.5228 0.0000 0.0000 2704.1119 6204.8131 298.6767 3500.7012 6237.4898 298.9445 PRESSURE: 897200 0 0 0 0 0 0 0 0 0 GPRESSURE: 897200 0 0 0 0 0 0 0 0 0 PRESSAVG: 897200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 897200 0 0 0 0 0 0 0 0 0 TIMING: 897200 CPU: 3548.26, 0.00395305/step Wall: 3548.26, 0.00395305/step, 1.75999 hours remaining, 113.171875 MB of memory in use. ENERGY: 897200 670.9783 1824.9630 2001.8959 113.3638 -0.3309 -1091.4146 0.0000 0.0000 2676.8702 6196.3257 295.6678 3519.4555 6228.7603 298.1050 PRESSURE: 897400 0 0 0 0 0 0 0 0 0 GPRESSURE: 897400 0 0 0 0 0 0 0 0 0 PRESSAVG: 897400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 897400 0 0 0 0 0 0 0 0 0 TIMING: 897400 CPU: 3549.05, 0.00395291/step Wall: 3549.05, 0.00395291/step, 1.7597 hours remaining, 113.171875 MB of memory in use. ENERGY: 897400 618.5317 1822.8217 1974.3699 111.0574 -0.5789 -1020.6130 0.0000 0.0000 2662.0817 6167.6705 294.0343 3505.5888 6200.4323 297.3738 PRESSURE: 897600 0 0 0 0 0 0 0 0 0 GPRESSURE: 897600 0 0 0 0 0 0 0 0 0 PRESSAVG: 897600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 897600 0 0 0 0 0 0 0 0 0 TIMING: 897600 CPU: 3549.84, 0.0039499/step Wall: 3549.84, 0.0039499/step, 1.75814 hours remaining, 113.171875 MB of memory in use. ENERGY: 897600 660.5419 1785.9967 1986.4670 100.8566 -0.9332 -1020.2143 0.0000 0.0000 2639.8000 6152.5146 291.5733 3512.7146 6185.4583 294.2004 PRESSURE: 897800 0 0 0 0 0 0 0 0 0 GPRESSURE: 897800 0 0 0 0 0 0 0 0 0 PRESSAVG: 897800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 897800 0 0 0 0 0 0 0 0 0 TIMING: 897800 CPU: 3550.63, 0.00394944/step Wall: 3550.63, 0.00394944/step, 1.75772 hours remaining, 113.171875 MB of memory in use. ENERGY: 897800 663.8970 1781.2918 1997.0172 108.9615 0.9963 -1066.6232 0.0000 0.0000 2702.4383 6187.9788 298.4918 3485.5405 6219.6977 294.9613 PRESSURE: 898000 0 0 0 0 0 0 0 0 0 GPRESSURE: 898000 0 0 0 0 0 0 0 0 0 PRESSAVG: 898000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 898000 0 0 0 0 0 0 0 0 0 TIMING: 898000 CPU: 3551.42, 0.00394791/step Wall: 3551.42, 0.00394791/step, 1.75682 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 898000 623.5461 1825.3355 1974.2393 100.6098 0.5772 -1071.5457 0.0000 0.0000 2720.9324 6173.6945 300.5346 3452.7621 6207.8351 296.1927 PRESSURE: 898200 0 0 0 0 0 0 0 0 0 GPRESSURE: 898200 0 0 0 0 0 0 0 0 0 PRESSAVG: 898200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 898200 0 0 0 0 0 0 0 0 0 TIMING: 898200 CPU: 3552.21, 0.00395199/step Wall: 3552.21, 0.00395199/step, 1.75842 hours remaining, 113.171875 MB of memory in use. ENERGY: 898200 617.7917 1820.4585 2000.9142 106.1897 1.9096 -1015.8054 0.0000 0.0000 2672.3486 6203.8069 295.1684 3531.4583 6236.8454 296.1309 PRESSURE: 898400 0 0 0 0 0 0 0 0 0 GPRESSURE: 898400 0 0 0 0 0 0 0 0 0 PRESSAVG: 898400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 898400 0 0 0 0 0 0 0 0 0 TIMING: 898400 CPU: 3553, 0.00395083/step Wall: 3553, 0.00395083/step, 1.75768 hours remaining, 113.171875 MB of memory in use. ENERGY: 898400 686.9728 1765.5051 1984.6712 111.9921 0.1559 -1118.0772 0.0000 0.0000 2708.2814 6139.5014 299.1372 3431.2199 6172.9078 295.8660 PRESSURE: 898600 0 0 0 0 0 0 0 0 0 GPRESSURE: 898600 0 0 0 0 0 0 0 0 0 PRESSAVG: 898600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 898600 0 0 0 0 0 0 0 0 0 TIMING: 898600 CPU: 3553.79, 0.0039513/step Wall: 3553.79, 0.0039513/step, 1.75767 hours remaining, 113.171875 MB of memory in use. ENERGY: 898600 652.2972 1826.7276 1994.0530 107.4895 0.0422 -1059.0028 0.0000 0.0000 2704.2675 6225.8742 298.6939 3521.6067 6256.3954 298.0275 PRESSURE: 898800 0 0 0 0 0 0 0 0 0 GPRESSURE: 898800 0 0 0 0 0 0 0 0 0 PRESSAVG: 898800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 898800 0 0 0 0 0 0 0 0 0 TIMING: 898800 CPU: 3554.58, 0.00394775/step Wall: 3554.58, 0.00394774/step, 1.75587 hours remaining, 113.171875 MB of memory in use. ENERGY: 898800 634.7767 1807.2633 1994.5749 113.4023 1.8780 -1054.9430 0.0000 0.0000 2674.5522 6171.5044 295.4117 3496.9522 6204.3324 296.9063 PRESSURE: 899000 0 0 0 0 0 0 0 0 0 GPRESSURE: 899000 0 0 0 0 0 0 0 0 0 PRESSAVG: 899000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 899000 0 0 0 0 0 0 0 0 0 TIMING: 899000 CPU: 3555.37, 0.00395043/step Wall: 3555.37, 0.00395044/step, 1.75685 hours remaining, 113.171875 MB of memory in use. ENERGY: 899000 635.4011 1784.7662 2005.7862 119.3092 -0.0711 -1014.3180 0.0000 0.0000 2640.4176 6171.2912 291.6415 3530.8736 6203.1077 294.9114 PRESSURE: 899200 0 0 0 0 0 0 0 0 0 GPRESSURE: 899200 0 0 0 0 0 0 0 0 0 PRESSAVG: 899200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 899200 0 0 0 0 0 0 0 0 0 TIMING: 899200 CPU: 3556.16, 0.00395085/step Wall: 3556.16, 0.00395085/step, 1.75681 hours remaining, 113.171875 MB of memory in use. ENERGY: 899200 651.5305 1810.8575 1971.5920 109.9853 0.3083 -1023.0084 0.0000 0.0000 2692.3632 6213.6284 297.3790 3521.2652 6243.1999 295.0438 PRESSURE: 899400 0 0 0 0 0 0 0 0 0 GPRESSURE: 899400 0 0 0 0 0 0 0 0 0 PRESSAVG: 899400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 899400 0 0 0 0 0 0 0 0 0 TIMING: 899400 CPU: 3556.96, 0.00395107/step Wall: 3556.96, 0.00395107/step, 1.75669 hours remaining, 113.171875 MB of memory in use. ENERGY: 899400 697.9611 1820.0525 2023.5971 98.5867 0.5687 -1055.4519 0.0000 0.0000 2659.4097 6244.7240 293.7392 3585.3143 6274.5630 299.2512 PRESSURE: 899600 0 0 0 0 0 0 0 0 0 GPRESSURE: 899600 0 0 0 0 0 0 0 0 0 PRESSAVG: 899600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 899600 0 0 0 0 0 0 0 0 0 TIMING: 899600 CPU: 3557.75, 0.00395085/step Wall: 3557.75, 0.00395085/step, 1.75637 hours remaining, 113.171875 MB of memory in use. ENERGY: 899600 675.2032 1876.6289 1996.1159 118.6538 0.4063 -1056.9653 0.0000 0.0000 2653.3512 6263.3940 293.0700 3610.0428 6294.1724 300.1350 PRESSURE: 899800 0 0 0 0 0 0 0 0 0 GPRESSURE: 899800 0 0 0 0 0 0 0 0 0 PRESSAVG: 899800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 899800 0 0 0 0 0 0 0 0 0 TIMING: 899800 CPU: 3558.53, 0.00394784/step Wall: 3558.53, 0.00394784/step, 1.75482 hours remaining, 113.171875 MB of memory in use. ENERGY: 899800 639.3717 1842.4460 2007.4719 114.8050 0.5411 -1016.0520 0.0000 0.0000 2731.6352 6320.2189 301.7167 3588.5837 6352.2367 300.3807 PRESSURE: 900000 0 0 0 0 0 0 0 0 0 GPRESSURE: 900000 0 0 0 0 0 0 0 0 0 PRESSAVG: 900000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 900000 0 0 0 0 0 0 0 0 0 TIMING: 900000 CPU: 3559.32, 0.00395103/step Wall: 3559.32, 0.00395103/step, 1.75601 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 900000 647.8122 1814.0487 1988.2244 106.6696 0.4609 -1026.5526 0.0000 0.0000 2789.8263 6320.4895 308.1441 3530.6632 6355.5873 301.8244 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 0 0 0 0 0 0 0 0 0 GPRESSURE: 900200 0 0 0 0 0 0 0 0 0 PRESSAVG: 900200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 900200 0 0 0 0 0 0 0 0 0 TIMING: 900200 CPU: 3560.15, 0.00412536/step Wall: 3560.15, 0.00412536/step, 1.83326 hours remaining, 113.171875 MB of memory in use. ENERGY: 900200 683.4535 1805.6103 1999.1624 111.2140 0.8361 -1066.8584 0.0000 0.0000 2736.6768 6270.0948 302.2736 3533.4179 6301.8466 301.3534 LDB: ============= START OF LOAD BALANCING ============== 3563.11 LDB: ============== END OF LOAD BALANCING =============== 3563.11 LDB: =============== DONE WITH MIGRATION ================ 3563.11 LDB: ============= START OF LOAD BALANCING ============== 3563.51 LDB: ============== END OF LOAD BALANCING =============== 3563.51 LDB: =============== DONE WITH MIGRATION ================ 3563.51 PRESSURE: 900400 0 0 0 0 0 0 0 0 0 GPRESSURE: 900400 0 0 0 0 0 0 0 0 0 PRESSAVG: 900400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 900400 0 0 0 0 0 0 0 0 0 TIMING: 900400 CPU: 3560.94, 0.00395492/step Wall: 3560.94, 0.00395492/step, 1.7573 hours remaining, 113.171875 MB of memory in use. ENERGY: 900400 693.4451 1819.3870 1981.0641 105.2156 -0.0284 -1072.4672 0.0000 0.0000 2751.3787 6277.9949 303.8974 3526.6162 6312.5403 300.7345 PRESSURE: 900600 0 0 0 0 0 0 0 0 0 GPRESSURE: 900600 0 0 0 0 0 0 0 0 0 PRESSAVG: 900600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 900600 0 0 0 0 0 0 0 0 0 TIMING: 900600 CPU: 3561.73, 0.00395187/step Wall: 3561.73, 0.00395187/step, 1.75573 hours remaining, 113.171875 MB of memory in use. ENERGY: 900600 671.9445 1821.8227 1973.9254 116.1486 -0.0365 -1031.9671 0.0000 0.0000 2648.8906 6200.7281 292.5773 3551.8375 6233.0000 298.1515 PRESSURE: 900800 0 0 0 0 0 0 0 0 0 GPRESSURE: 900800 0 0 0 0 0 0 0 0 0 PRESSAVG: 900800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 900800 0 0 0 0 0 0 0 0 0 TIMING: 900800 CPU: 3562.52, 0.00394703/step Wall: 3562.52, 0.00394703/step, 1.75336 hours remaining, 113.171875 MB of memory in use. ENERGY: 900800 652.1932 1828.9738 2009.4726 114.9548 1.2580 -1045.2044 0.0000 0.0000 2689.4328 6251.0809 297.0553 3561.6481 6283.4967 297.9309 PRESSURE: 901000 0 0 0 0 0 0 0 0 0 GPRESSURE: 901000 0 0 0 0 0 0 0 0 0 PRESSAVG: 901000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 901000 0 0 0 0 0 0 0 0 0 TIMING: 901000 CPU: 3563.31, 0.00395217/step Wall: 3563.31, 0.00395217/step, 1.75542 hours remaining, 113.171875 MB of memory in use. ENERGY: 901000 698.1894 1847.5071 1987.1547 112.9822 0.3949 -1083.1831 0.0000 0.0000 2743.5809 6306.6260 303.0362 3563.0451 6340.6958 302.0431 PRESSURE: 901200 0 0 0 0 0 0 0 0 0 GPRESSURE: 901200 0 0 0 0 0 0 0 0 0 PRESSAVG: 901200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 901200 0 0 0 0 0 0 0 0 0 TIMING: 901200 CPU: 3564.1, 0.00395092/step Wall: 3564.1, 0.00395092/step, 1.75465 hours remaining, 113.171875 MB of memory in use. ENERGY: 901200 650.2216 1849.9274 2002.6018 113.6450 -0.1168 -1054.7135 0.0000 0.0000 2760.2435 6321.8090 304.8766 3561.5655 6356.6542 302.0377 PRESSURE: 901400 0 0 0 0 0 0 0 0 0 GPRESSURE: 901400 0 0 0 0 0 0 0 0 0 PRESSAVG: 901400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 901400 0 0 0 0 0 0 0 0 0 TIMING: 901400 CPU: 3564.89, 0.00395001/step Wall: 3564.89, 0.00395001/step, 1.75402 hours remaining, 113.171875 MB of memory in use. ENERGY: 901400 638.2162 1882.5217 1972.9275 109.0558 2.0760 -1062.4963 0.0000 0.0000 2738.4123 6280.7131 302.4653 3542.3008 6312.8002 302.5674 PRESSURE: 901600 0 0 0 0 0 0 0 0 0 GPRESSURE: 901600 0 0 0 0 0 0 0 0 0 PRESSAVG: 901600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 901600 0 0 0 0 0 0 0 0 0 TIMING: 901600 CPU: 3565.68, 0.0039517/step Wall: 3565.68, 0.0039517/step, 1.75455 hours remaining, 113.171875 MB of memory in use. ENERGY: 901600 693.8896 1834.5877 1961.9091 101.8233 1.7867 -1102.1859 0.0000 0.0000 2782.3165 6274.1270 307.3146 3491.8105 6310.8717 300.2585 PRESSURE: 901800 0 0 0 0 0 0 0 0 0 GPRESSURE: 901800 0 0 0 0 0 0 0 0 0 PRESSAVG: 901800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 901800 0 0 0 0 0 0 0 0 0 TIMING: 901800 CPU: 3566.47, 0.00394792/step Wall: 3566.47, 0.00394792/step, 1.75266 hours remaining, 113.171875 MB of memory in use. ENERGY: 901800 658.2614 1857.3334 1984.6834 126.4563 1.4493 -1064.6808 0.0000 0.0000 2766.7534 6330.2566 305.5956 3563.5032 6361.6885 303.7899 PRESSURE: 902000 0 0 0 0 0 0 0 0 0 GPRESSURE: 902000 0 0 0 0 0 0 0 0 0 PRESSAVG: 902000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 902000 0 0 0 0 0 0 0 0 0 TIMING: 902000 CPU: 3567.26, 0.00395176/step Wall: 3567.26, 0.00395176/step, 1.75414 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 902000 680.5547 1875.7564 2006.4258 109.5309 0.6896 -1043.1687 0.0000 0.0000 2673.1952 6302.9839 295.2619 3629.7887 6335.4183 301.7709 PRESSURE: 902200 0 0 0 0 0 0 0 0 0 GPRESSURE: 902200 0 0 0 0 0 0 0 0 0 PRESSAVG: 902200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 902200 0 0 0 0 0 0 0 0 0 TIMING: 902200 CPU: 3568.05, 0.00395151/step Wall: 3568.05, 0.00395151/step, 1.75381 hours remaining, 113.171875 MB of memory in use. ENERGY: 902200 660.7109 1807.8087 1983.1611 119.1224 -1.1744 -1094.2560 0.0000 0.0000 2763.9749 6239.3476 305.2887 3475.3727 6273.0773 299.6617 PRESSURE: 902400 0 0 0 0 0 0 0 0 0 GPRESSURE: 902400 0 0 0 0 0 0 0 0 0 PRESSAVG: 902400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 902400 0 0 0 0 0 0 0 0 0 TIMING: 902400 CPU: 3568.84, 0.00395126/step Wall: 3568.84, 0.00395126/step, 1.75348 hours remaining, 113.171875 MB of memory in use. ENERGY: 902400 640.6170 1827.9020 1976.0726 107.8455 0.3634 -1085.6128 0.0000 0.0000 2758.0268 6225.2145 304.6317 3467.1877 6260.0856 299.9243 PRESSURE: 902600 0 0 0 0 0 0 0 0 0 GPRESSURE: 902600 0 0 0 0 0 0 0 0 0 PRESSAVG: 902600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 902600 0 0 0 0 0 0 0 0 0 TIMING: 902600 CPU: 3569.63, 0.00394958/step Wall: 3569.63, 0.00394958/step, 1.75251 hours remaining, 113.171875 MB of memory in use. ENERGY: 902600 619.0548 1866.4868 1987.0538 103.6107 1.0284 -1038.0782 0.0000 0.0000 2733.4220 6272.5782 301.9141 3539.1562 6305.4121 299.9331 PRESSURE: 902800 0 0 0 0 0 0 0 0 0 GPRESSURE: 902800 0 0 0 0 0 0 0 0 0 PRESSAVG: 902800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 902800 0 0 0 0 0 0 0 0 0 TIMING: 902800 CPU: 3570.42, 0.00395193/step Wall: 3570.42, 0.00395193/step, 1.75334 hours remaining, 113.171875 MB of memory in use. ENERGY: 902800 648.8280 1818.1773 1948.7857 106.2361 0.3304 -1028.3228 0.0000 0.0000 2784.9228 6278.9576 307.6025 3494.0348 6314.0469 302.0975 PRESSURE: 903000 0 0 0 0 0 0 0 0 0 GPRESSURE: 903000 0 0 0 0 0 0 0 0 0 PRESSAVG: 903000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 903000 0 0 0 0 0 0 0 0 0 TIMING: 903000 CPU: 3571.21, 0.00395233/step Wall: 3571.21, 0.00395233/step, 1.7533 hours remaining, 113.171875 MB of memory in use. ENERGY: 903000 639.8816 1858.1588 1988.2510 122.1128 -0.1916 -1054.9228 0.0000 0.0000 2760.7885 6314.0783 304.9368 3553.2899 6348.0110 301.4080 PRESSURE: 903200 0 0 0 0 0 0 0 0 0 GPRESSURE: 903200 0 0 0 0 0 0 0 0 0 PRESSAVG: 903200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 903200 0 0 0 0 0 0 0 0 0 TIMING: 903200 CPU: 3572, 0.00395077/step Wall: 3572, 0.00395077/step, 1.75239 hours remaining, 113.171875 MB of memory in use. ENERGY: 903200 680.6374 1844.9270 1965.4296 120.4826 0.6012 -1078.0932 0.0000 0.0000 2733.3863 6267.3709 301.9101 3533.9846 6300.8794 302.6384 PRESSURE: 903400 0 0 0 0 0 0 0 0 0 GPRESSURE: 903400 0 0 0 0 0 0 0 0 0 PRESSAVG: 903400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 903400 0 0 0 0 0 0 0 0 0 TIMING: 903400 CPU: 3572.79, 0.00395146/step Wall: 3572.79, 0.00395146/step, 1.75247 hours remaining, 113.171875 MB of memory in use. ENERGY: 903400 619.9338 1851.2626 1991.9296 98.6323 0.7426 -1049.4253 0.0000 0.0000 2732.2536 6245.3292 301.7850 3513.0756 6280.2114 301.5909 PRESSURE: 903600 0 0 0 0 0 0 0 0 0 GPRESSURE: 903600 0 0 0 0 0 0 0 0 0 PRESSAVG: 903600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 903600 0 0 0 0 0 0 0 0 0 TIMING: 903600 CPU: 3573.58, 0.003949/step Wall: 3573.58, 0.003949/step, 1.75116 hours remaining, 113.171875 MB of memory in use. ENERGY: 903600 636.9607 1909.2794 2008.0756 105.5681 -0.3497 -1073.8193 0.0000 0.0000 2736.2861 6322.0008 302.2304 3585.7147 6355.5590 302.7539 PRESSURE: 903800 0 0 0 0 0 0 0 0 0 GPRESSURE: 903800 0 0 0 0 0 0 0 0 0 PRESSAVG: 903800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 903800 0 0 0 0 0 0 0 0 0 TIMING: 903800 CPU: 3574.37, 0.00395113/step Wall: 3574.37, 0.00395113/step, 1.75188 hours remaining, 113.171875 MB of memory in use. ENERGY: 903800 648.7144 1852.9769 2000.5588 100.3072 0.6664 -1049.5210 0.0000 0.0000 2732.4952 6286.1979 301.8117 3553.7027 6319.0170 303.3422 PRESSURE: 904000 0 0 0 0 0 0 0 0 0 GPRESSURE: 904000 0 0 0 0 0 0 0 0 0 PRESSAVG: 904000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 904000 0 0 0 0 0 0 0 0 0 TIMING: 904000 CPU: 3575.16, 0.0039528/step Wall: 3575.16, 0.0039528/step, 1.75241 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 904000 666.3272 1856.6444 2003.1801 119.1449 0.6264 -1056.3169 0.0000 0.0000 2694.6787 6284.2849 297.6348 3589.6062 6315.6642 302.5000 PRESSURE: 904200 0 0 0 0 0 0 0 0 0 GPRESSURE: 904200 0 0 0 0 0 0 0 0 0 PRESSAVG: 904200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 904200 0 0 0 0 0 0 0 0 0 TIMING: 904200 CPU: 3575.95, 0.00395119/step Wall: 3575.95, 0.00395119/step, 1.75148 hours remaining, 113.171875 MB of memory in use. ENERGY: 904200 628.2288 1889.3320 1999.8417 109.0342 1.2777 -1047.7211 0.0000 0.0000 2688.0191 6268.0124 296.8992 3579.9933 6295.9740 300.7054 LDB: ============= START OF LOAD BALANCING ============== 3578.91 LDB: ============== END OF LOAD BALANCING =============== 3578.91 LDB: =============== DONE WITH MIGRATION ================ 3578.91 LDB: ============= START OF LOAD BALANCING ============== 3579.31 LDB: ============== END OF LOAD BALANCING =============== 3579.31 LDB: =============== DONE WITH MIGRATION ================ 3579.31 PRESSURE: 904400 0 0 0 0 0 0 0 0 0 GPRESSURE: 904400 0 0 0 0 0 0 0 0 0 PRESSAVG: 904400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 904400 0 0 0 0 0 0 0 0 0 TIMING: 904400 CPU: 3576.75, 0.00395648/step Wall: 3576.75, 0.00395648/step, 1.7536 hours remaining, 113.171875 MB of memory in use. ENERGY: 904400 637.4280 1843.9223 2007.0493 111.3645 0.7303 -1029.1721 0.0000 0.0000 2674.9539 6246.2762 295.4561 3571.3223 6277.1587 299.6496 PRESSURE: 904600 0 0 0 0 0 0 0 0 0 GPRESSURE: 904600 0 0 0 0 0 0 0 0 0 PRESSAVG: 904600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 904600 0 0 0 0 0 0 0 0 0 TIMING: 904600 CPU: 3577.54, 0.00394789/step Wall: 3577.54, 0.00394789/step, 1.74957 hours remaining, 113.171875 MB of memory in use. ENERGY: 904600 656.8920 1851.3256 1966.1470 104.4829 0.1802 -1046.9419 0.0000 0.0000 2702.2439 6234.3298 298.4704 3532.0858 6264.9156 299.5196 PRESSURE: 904800 0 0 0 0 0 0 0 0 0 GPRESSURE: 904800 0 0 0 0 0 0 0 0 0 PRESSAVG: 904800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 904800 0 0 0 0 0 0 0 0 0 TIMING: 904800 CPU: 3578.33, 0.00395156/step Wall: 3578.33, 0.00395156/step, 1.75098 hours remaining, 113.171875 MB of memory in use. ENERGY: 904800 653.3377 1829.1048 1987.0496 115.1957 0.3871 -1052.8112 0.0000 0.0000 2705.5950 6237.8588 298.8405 3532.2637 6273.6133 298.6861 PRESSURE: 905000 0 0 0 0 0 0 0 0 0 GPRESSURE: 905000 0 0 0 0 0 0 0 0 0 PRESSAVG: 905000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 905000 0 0 0 0 0 0 0 0 0 TIMING: 905000 CPU: 3579.12, 0.00396695/step Wall: 3579.12, 0.00396695/step, 1.75758 hours remaining, 113.171875 MB of memory in use. ENERGY: 905000 633.6840 1785.8602 1959.4209 111.4407 2.0037 -1044.5186 0.0000 0.0000 2737.7627 6185.6536 302.3935 3447.8909 6219.3920 296.2749 PRESSURE: 905200 0 0 0 0 0 0 0 0 0 GPRESSURE: 905200 0 0 0 0 0 0 0 0 0 PRESSAVG: 905200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 905200 0 0 0 0 0 0 0 0 0 TIMING: 905200 CPU: 3579.91, 0.00395175/step Wall: 3579.91, 0.00395175/step, 1.75062 hours remaining, 113.171875 MB of memory in use. ENERGY: 905200 663.7545 1791.7683 1960.2022 102.2213 1.6284 -1068.5363 0.0000 0.0000 2698.2245 6149.2630 298.0264 3451.0384 6178.9203 295.8982 PRESSURE: 905400 0 0 0 0 0 0 0 0 0 GPRESSURE: 905400 0 0 0 0 0 0 0 0 0 PRESSAVG: 905400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 905400 0 0 0 0 0 0 0 0 0 TIMING: 905400 CPU: 3580.7, 0.00395067/step Wall: 3580.7, 0.00395067/step, 1.74993 hours remaining, 113.171875 MB of memory in use. ENERGY: 905400 630.4019 1806.9576 1991.4153 91.9981 2.9446 -1073.3154 0.0000 0.0000 2707.1251 6157.5271 299.0095 3450.4020 6193.2148 295.0749 PRESSURE: 905600 0 0 0 0 0 0 0 0 0 GPRESSURE: 905600 0 0 0 0 0 0 0 0 0 PRESSAVG: 905600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 905600 0 0 0 0 0 0 0 0 0 TIMING: 905600 CPU: 3581.49, 0.00394895/step Wall: 3581.49, 0.00394895/step, 1.74895 hours remaining, 113.171875 MB of memory in use. ENERGY: 905600 669.0722 1854.8940 1969.2799 105.6138 2.3115 -1082.9243 0.0000 0.0000 2682.6572 6200.9043 296.3070 3518.2471 6232.2970 296.5696 PRESSURE: 905800 0 0 0 0 0 0 0 0 0 GPRESSURE: 905800 0 0 0 0 0 0 0 0 0 PRESSAVG: 905800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 905800 0 0 0 0 0 0 0 0 0 TIMING: 905800 CPU: 3582.28, 0.00395684/step Wall: 3582.28, 0.00395684/step, 1.75222 hours remaining, 113.171875 MB of memory in use. ENERGY: 905800 669.9900 1814.5002 1993.0262 108.7260 1.6845 -1053.5962 0.0000 0.0000 2703.5721 6237.9029 298.6171 3534.3307 6270.1325 298.0649 PRESSURE: 906000 0 0 0 0 0 0 0 0 0 GPRESSURE: 906000 0 0 0 0 0 0 0 0 0 PRESSAVG: 906000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 906000 0 0 0 0 0 0 0 0 0 TIMING: 906000 CPU: 3583.07, 0.0039567/step Wall: 3583.07, 0.0039567/step, 1.75194 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 906000 664.0522 1792.0889 2023.6666 109.7395 1.6031 -1047.6175 0.0000 0.0000 2684.8139 6228.3466 296.5452 3543.5327 6260.0890 297.0289 PRESSURE: 906200 0 0 0 0 0 0 0 0 0 GPRESSURE: 906200 0 0 0 0 0 0 0 0 0 PRESSAVG: 906200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 906200 0 0 0 0 0 0 0 0 0 TIMING: 906200 CPU: 3583.86, 0.00395552/step Wall: 3583.86, 0.00395552/step, 1.7512 hours remaining, 113.171875 MB of memory in use. ENERGY: 906200 655.8855 1798.7433 1998.8229 115.7513 1.0210 -1111.4708 0.0000 0.0000 2718.0125 6176.7657 300.2121 3458.7532 6209.7118 298.9461 PRESSURE: 906400 0 0 0 0 0 0 0 0 0 GPRESSURE: 906400 0 0 0 0 0 0 0 0 0 PRESSAVG: 906400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 906400 0 0 0 0 0 0 0 0 0 TIMING: 906400 CPU: 3584.65, 0.00394916/step Wall: 3584.65, 0.00394916/step, 1.74816 hours remaining, 113.171875 MB of memory in use. ENERGY: 906400 656.9339 1813.1321 1994.3705 111.5369 0.3501 -1082.9819 0.0000 0.0000 2650.7296 6144.0712 292.7805 3493.3416 6174.2865 295.7898 PRESSURE: 906600 0 0 0 0 0 0 0 0 0 GPRESSURE: 906600 0 0 0 0 0 0 0 0 0 PRESSAVG: 906600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 906600 0 0 0 0 0 0 0 0 0 TIMING: 906600 CPU: 3585.44, 0.00395245/step Wall: 3585.44, 0.00395245/step, 1.7494 hours remaining, 113.171875 MB of memory in use. ENERGY: 906600 618.8461 1787.8113 1979.4281 105.0617 1.0488 -1080.7323 0.0000 0.0000 2701.2468 6112.7106 298.3602 3411.4637 6144.5342 294.7251 PRESSURE: 906800 0 0 0 0 0 0 0 0 0 GPRESSURE: 906800 0 0 0 0 0 0 0 0 0 PRESSAVG: 906800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 906800 0 0 0 0 0 0 0 0 0 TIMING: 906800 CPU: 3586.23, 0.00395286/step Wall: 3586.23, 0.00395286/step, 1.74936 hours remaining, 113.171875 MB of memory in use. ENERGY: 906800 630.9555 1788.7951 1973.0348 101.0918 3.5789 -1060.1885 0.0000 0.0000 2637.9027 6075.1703 291.3637 3437.2676 6107.5728 292.9154 PRESSURE: 907000 0 0 0 0 0 0 0 0 0 GPRESSURE: 907000 0 0 0 0 0 0 0 0 0 PRESSAVG: 907000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 907000 0 0 0 0 0 0 0 0 0 TIMING: 907000 CPU: 3587.02, 0.00395235/step Wall: 3587.02, 0.00395235/step, 1.74891 hours remaining, 113.171875 MB of memory in use. ENERGY: 907000 654.1396 1733.9029 1996.0866 107.1793 2.0201 -1088.8997 0.0000 0.0000 2678.7845 6083.2133 295.8792 3404.4287 6117.5069 291.4008 PRESSURE: 907200 0 0 0 0 0 0 0 0 0 GPRESSURE: 907200 0 0 0 0 0 0 0 0 0 PRESSAVG: 907200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 907200 0 0 0 0 0 0 0 0 0 TIMING: 907200 CPU: 3587.81, 0.0039522/step Wall: 3587.81, 0.00395221/step, 1.74863 hours remaining, 113.171875 MB of memory in use. ENERGY: 907200 622.1061 1760.5202 1986.2946 102.9872 1.4363 -1086.3919 0.0000 0.0000 2686.8143 6073.7667 296.7661 3386.9524 6106.4615 292.2727 PRESSURE: 907400 0 0 0 0 0 0 0 0 0 GPRESSURE: 907400 0 0 0 0 0 0 0 0 0 PRESSAVG: 907400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 907400 0 0 0 0 0 0 0 0 0 TIMING: 907400 CPU: 3588.6, 0.00394874/step Wall: 3588.6, 0.00394874/step, 1.74688 hours remaining, 113.171875 MB of memory in use. ENERGY: 907400 639.4060 1777.5774 1980.2323 108.1955 0.8773 -1049.7457 0.0000 0.0000 2647.9305 6104.4732 292.4713 3456.5427 6137.4609 293.5087 PRESSURE: 907600 0 0 0 0 0 0 0 0 0 GPRESSURE: 907600 0 0 0 0 0 0 0 0 0 PRESSAVG: 907600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 907600 0 0 0 0 0 0 0 0 0 TIMING: 907600 CPU: 3589.4, 0.00395303/step Wall: 3589.4, 0.00395303/step, 1.74855 hours remaining, 113.171875 MB of memory in use. ENERGY: 907600 636.2186 1773.9488 1988.6614 100.9188 0.6374 -1064.1647 0.0000 0.0000 2620.9871 6057.2075 289.4953 3436.2204 6089.1751 290.4331 PRESSURE: 907800 0 0 0 0 0 0 0 0 0 GPRESSURE: 907800 0 0 0 0 0 0 0 0 0 PRESSAVG: 907800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 907800 0 0 0 0 0 0 0 0 0 TIMING: 907800 CPU: 3590.19, 0.00395424/step Wall: 3590.19, 0.00395424/step, 1.74887 hours remaining, 113.171875 MB of memory in use. ENERGY: 907800 628.0969 1800.5704 1971.4230 110.6198 0.3003 -1101.6025 0.0000 0.0000 2627.7795 6037.1874 290.2456 3409.4079 6068.3510 288.6548 PRESSURE: 908000 0 0 0 0 0 0 0 0 0 GPRESSURE: 908000 0 0 0 0 0 0 0 0 0 PRESSAVG: 908000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 908000 0 0 0 0 0 0 0 0 0 TIMING: 908000 CPU: 3590.98, 0.00395259/step Wall: 3590.98, 0.00395259/step, 1.74792 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 908000 643.2242 1792.3143 1982.9745 109.0693 0.2630 -1070.3497 0.0000 0.0000 2650.5916 6108.0872 292.7652 3457.4956 6140.0734 290.3224 PRESSURE: 908200 0 0 0 0 0 0 0 0 0 GPRESSURE: 908200 0 0 0 0 0 0 0 0 0 PRESSAVG: 908200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 908200 0 0 0 0 0 0 0 0 0 TIMING: 908200 CPU: 3591.77, 0.00395242/step Wall: 3591.77, 0.00395242/step, 1.74763 hours remaining, 113.171875 MB of memory in use. ENERGY: 908200 637.6993 1792.2652 1984.7331 101.6254 0.9809 -1081.8959 0.0000 0.0000 2699.6733 6135.0813 298.1864 3435.4080 6167.8276 293.7777 LDB: ============= START OF LOAD BALANCING ============== 3594.73 LDB: ============== END OF LOAD BALANCING =============== 3594.73 LDB: =============== DONE WITH MIGRATION ================ 3594.73 LDB: ============= START OF LOAD BALANCING ============== 3595.12 LDB: ============== END OF LOAD BALANCING =============== 3595.12 LDB: =============== DONE WITH MIGRATION ================ 3595.12 PRESSURE: 908400 0 0 0 0 0 0 0 0 0 GPRESSURE: 908400 0 0 0 0 0 0 0 0 0 PRESSAVG: 908400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 908400 0 0 0 0 0 0 0 0 0 TIMING: 908400 CPU: 3592.56, 0.00395247/step Wall: 3592.56, 0.00395247/step, 1.74743 hours remaining, 113.171875 MB of memory in use. ENERGY: 908400 648.0376 1799.1926 1996.8587 98.2872 1.6707 -1090.6044 0.0000 0.0000 2646.6372 6100.0796 292.3285 3453.4424 6134.1579 293.4771 PRESSURE: 908600 0 0 0 0 0 0 0 0 0 GPRESSURE: 908600 0 0 0 0 0 0 0 0 0 PRESSAVG: 908600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 908600 0 0 0 0 0 0 0 0 0 TIMING: 908600 CPU: 3593.35, 0.00395147/step Wall: 3593.35, 0.00395147/step, 1.74677 hours remaining, 113.171875 MB of memory in use. ENERGY: 908600 640.5919 1839.8990 1981.1073 104.2640 0.7460 -1060.6315 0.0000 0.0000 2665.4069 6171.3836 294.4016 3505.9766 6203.7430 293.9473 PRESSURE: 908800 0 0 0 0 0 0 0 0 0 GPRESSURE: 908800 0 0 0 0 0 0 0 0 0 PRESSAVG: 908800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 908800 0 0 0 0 0 0 0 0 0 TIMING: 908800 CPU: 3594.14, 0.00395177/step Wall: 3594.14, 0.00395177/step, 1.74668 hours remaining, 113.171875 MB of memory in use. ENERGY: 908800 650.9583 1772.3343 2013.4691 111.1422 1.2530 -1075.3935 0.0000 0.0000 2663.2369 6137.0002 294.1619 3473.7633 6170.1148 295.9568 PRESSURE: 909000 0 0 0 0 0 0 0 0 0 GPRESSURE: 909000 0 0 0 0 0 0 0 0 0 PRESSAVG: 909000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 909000 0 0 0 0 0 0 0 0 0 TIMING: 909000 CPU: 3594.93, 0.00394978/step Wall: 3594.93, 0.00394978/step, 1.74558 hours remaining, 113.171875 MB of memory in use. ENERGY: 909000 649.3666 1829.7605 1980.8182 103.4091 2.5873 -1078.5183 0.0000 0.0000 2658.7033 6146.1266 293.6612 3487.4233 6176.8558 294.2692 PRESSURE: 909200 0 0 0 0 0 0 0 0 0 GPRESSURE: 909200 0 0 0 0 0 0 0 0 0 PRESSAVG: 909200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 909200 0 0 0 0 0 0 0 0 0 TIMING: 909200 CPU: 3595.72, 0.00395128/step Wall: 3595.72, 0.00395128/step, 1.74603 hours remaining, 113.171875 MB of memory in use. ENERGY: 909200 674.4900 1833.2089 1972.8841 110.0934 1.5135 -1094.6033 0.0000 0.0000 2654.8466 6152.4331 293.2352 3497.5865 6186.0062 293.6954 PRESSURE: 909400 0 0 0 0 0 0 0 0 0 GPRESSURE: 909400 0 0 0 0 0 0 0 0 0 PRESSAVG: 909400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 909400 0 0 0 0 0 0 0 0 0 TIMING: 909400 CPU: 3596.51, 0.00394771/step Wall: 3596.51, 0.00394771/step, 1.74423 hours remaining, 113.171875 MB of memory in use. ENERGY: 909400 645.1259 1857.5283 1925.3626 111.4130 1.6207 -1100.4690 0.0000 0.0000 2705.6483 6146.2298 298.8464 3440.5815 6179.5087 295.6974 PRESSURE: 909600 0 0 0 0 0 0 0 0 0 GPRESSURE: 909600 0 0 0 0 0 0 0 0 0 PRESSAVG: 909600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 909600 0 0 0 0 0 0 0 0 0 TIMING: 909600 CPU: 3597.3, 0.00395064/step Wall: 3597.3, 0.00395064/step, 1.7453 hours remaining, 113.171875 MB of memory in use. ENERGY: 909600 691.3201 1830.6457 1997.6749 98.6396 1.5835 -1137.2065 0.0000 0.0000 2660.3605 6143.0179 293.8442 3482.6574 6175.6316 294.6859 PRESSURE: 909800 0 0 0 0 0 0 0 0 0 GPRESSURE: 909800 0 0 0 0 0 0 0 0 0 PRESSAVG: 909800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 909800 0 0 0 0 0 0 0 0 0 TIMING: 909800 CPU: 3598.09, 0.00395132/step Wall: 3598.09, 0.00395132/step, 1.74539 hours remaining, 113.171875 MB of memory in use. ENERGY: 909800 678.4875 1782.5004 2001.9933 99.1304 1.0263 -1073.4624 0.0000 0.0000 2697.5200 6187.1955 297.9486 3489.6755 6218.7301 295.5709 PRESSURE: 910000 0 0 0 0 0 0 0 0 0 GPRESSURE: 910000 0 0 0 0 0 0 0 0 0 PRESSAVG: 910000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 910000 0 0 0 0 0 0 0 0 0 TIMING: 910000 CPU: 3598.88, 0.00395137/step Wall: 3598.88, 0.00395137/step, 1.74519 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 910000 678.3602 1797.3799 1974.9508 98.2512 1.8714 -1092.6382 0.0000 0.0000 2694.9913 6153.1666 297.6693 3458.1754 6185.6411 296.0751 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 910000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 910000 WRITING COORDINATES TO RESTART FILE AT STEP 910000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 910000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 910200 0 0 0 0 0 0 0 0 0 GPRESSURE: 910200 0 0 0 0 0 0 0 0 0 PRESSAVG: 910200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 910200 0 0 0 0 0 0 0 0 0 TIMING: 910200 CPU: 3599.7, 0.00411352/step Wall: 3599.7, 0.00411352/step, 1.81658 hours remaining, 113.171875 MB of memory in use. ENERGY: 910200 643.7774 1895.4408 1979.8258 95.4282 1.7819 -1088.4426 0.0000 0.0000 2641.1907 6169.0022 291.7269 3527.8115 6199.1036 295.0492 PRESSURE: 910400 0 0 0 0 0 0 0 0 0 GPRESSURE: 910400 0 0 0 0 0 0 0 0 0 PRESSAVG: 910400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 910400 0 0 0 0 0 0 0 0 0 TIMING: 910400 CPU: 3600.49, 0.00395222/step Wall: 3600.49, 0.00395222/step, 1.74512 hours remaining, 113.171875 MB of memory in use. ENERGY: 910400 638.8426 1842.6963 1970.5036 103.0837 1.9340 -1069.3002 0.0000 0.0000 2717.9649 6205.7248 300.2068 3487.7600 6240.1238 296.2647 PRESSURE: 910600 0 0 0 0 0 0 0 0 0 GPRESSURE: 910600 0 0 0 0 0 0 0 0 0 PRESSAVG: 910600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 910600 0 0 0 0 0 0 0 0 0 TIMING: 910600 CPU: 3601.28, 0.00395284/step Wall: 3601.28, 0.00395284/step, 1.74518 hours remaining, 113.171875 MB of memory in use. ENERGY: 910600 654.4209 1864.2120 1982.2968 95.2372 1.6025 -1088.1354 0.0000 0.0000 2726.0650 6235.6990 301.1015 3509.6340 6268.3670 298.8603 PRESSURE: 910800 0 0 0 0 0 0 0 0 0 GPRESSURE: 910800 0 0 0 0 0 0 0 0 0 PRESSAVG: 910800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 910800 0 0 0 0 0 0 0 0 0 TIMING: 910800 CPU: 3602.07, 0.0039511/step Wall: 3602.07, 0.0039511/step, 1.74419 hours remaining, 113.171875 MB of memory in use. ENERGY: 910800 651.5959 1831.8129 1998.2212 125.1053 1.7936 -1075.4789 0.0000 0.0000 2675.3705 6208.4206 295.5021 3533.0501 6239.7937 298.0995 PRESSURE: 911000 0 0 0 0 0 0 0 0 0 GPRESSURE: 911000 0 0 0 0 0 0 0 0 0 PRESSAVG: 911000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 911000 0 0 0 0 0 0 0 0 0 TIMING: 911000 CPU: 3602.86, 0.00394963/step Wall: 3602.86, 0.00394963/step, 1.74332 hours remaining, 113.171875 MB of memory in use. ENERGY: 911000 650.6922 1819.1536 1978.2107 93.0447 2.3791 -1053.7094 0.0000 0.0000 2692.3222 6182.0932 297.3745 3489.7710 6216.8372 298.1056 PRESSURE: 911200 0 0 0 0 0 0 0 0 0 GPRESSURE: 911200 0 0 0 0 0 0 0 0 0 PRESSAVG: 911200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 911200 0 0 0 0 0 0 0 0 0 TIMING: 911200 CPU: 3603.65, 0.0039486/step Wall: 3603.65, 0.0039486/step, 1.74265 hours remaining, 113.171875 MB of memory in use. ENERGY: 911200 671.7937 1808.5634 1981.4645 99.2827 1.4366 -997.4273 0.0000 0.0000 2703.2636 6268.3772 298.5830 3565.1136 6301.2930 298.7365 PRESSURE: 911400 0 0 0 0 0 0 0 0 0 GPRESSURE: 911400 0 0 0 0 0 0 0 0 0 PRESSAVG: 911400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 911400 0 0 0 0 0 0 0 0 0 TIMING: 911400 CPU: 3604.44, 0.00395147/step Wall: 3604.44, 0.00395147/step, 1.7437 hours remaining, 113.171875 MB of memory in use. ENERGY: 911400 631.8313 1823.7271 1955.8627 113.5376 1.9654 -1050.8560 0.0000 0.0000 2778.5833 6254.6515 306.9023 3476.0682 6290.0486 300.4273 PRESSURE: 911600 0 0 0 0 0 0 0 0 0 GPRESSURE: 911600 0 0 0 0 0 0 0 0 0 PRESSAVG: 911600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 911600 0 0 0 0 0 0 0 0 0 TIMING: 911600 CPU: 3605.23, 0.00395183/step Wall: 3605.23, 0.00395183/step, 1.74364 hours remaining, 113.171875 MB of memory in use. ENERGY: 911600 631.8977 1867.2007 1986.1075 111.1335 2.2661 -1059.0236 0.0000 0.0000 2693.5404 6233.1224 297.5090 3539.5820 6267.6310 300.2328 PRESSURE: 911800 0 0 0 0 0 0 0 0 0 GPRESSURE: 911800 0 0 0 0 0 0 0 0 0 PRESSAVG: 911800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 911800 0 0 0 0 0 0 0 0 0 TIMING: 911800 CPU: 3606.02, 0.00395074/step Wall: 3606.02, 0.00395074/step, 1.74294 hours remaining, 113.171875 MB of memory in use. ENERGY: 911800 654.0622 1871.3609 1956.2121 101.4907 0.2984 -1085.7285 0.0000 0.0000 2699.1921 6196.8877 298.1333 3497.6957 6228.7379 298.2348 PRESSURE: 912000 0 0 0 0 0 0 0 0 0 GPRESSURE: 912000 0 0 0 0 0 0 0 0 0 PRESSAVG: 912000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 912000 0 0 0 0 0 0 0 0 0 TIMING: 912000 CPU: 3606.81, 0.00395081/step Wall: 3606.81, 0.0039508/step, 1.74274 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 912000 658.3238 1869.3208 1953.3276 112.9070 2.4837 -1100.0020 0.0000 0.0000 2671.0992 6167.4600 295.0303 3496.3608 6200.2548 295.6592 PRESSURE: 912200 0 0 0 0 0 0 0 0 0 GPRESSURE: 912200 0 0 0 0 0 0 0 0 0 PRESSAVG: 912200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 912200 0 0 0 0 0 0 0 0 0 TIMING: 912200 CPU: 3607.6, 0.00394785/step Wall: 3607.6, 0.00394786/step, 1.74122 hours remaining, 113.171875 MB of memory in use. ENERGY: 912200 645.6994 1823.0186 1967.3821 112.7370 1.8449 -1048.8197 0.0000 0.0000 2713.0951 6214.9574 299.6689 3501.8622 6247.4609 298.1483 LDB: ============= START OF LOAD BALANCING ============== 3610.56 LDB: ============== END OF LOAD BALANCING =============== 3610.56 LDB: =============== DONE WITH MIGRATION ================ 3610.56 LDB: ============= START OF LOAD BALANCING ============== 3610.96 LDB: ============== END OF LOAD BALANCING =============== 3610.96 LDB: =============== DONE WITH MIGRATION ================ 3610.96 PRESSURE: 912400 0 0 0 0 0 0 0 0 0 GPRESSURE: 912400 0 0 0 0 0 0 0 0 0 PRESSAVG: 912400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 912400 0 0 0 0 0 0 0 0 0 TIMING: 912400 CPU: 3608.39, 0.00395574/step Wall: 3608.39, 0.00395574/step, 1.74448 hours remaining, 113.171875 MB of memory in use. ENERGY: 912400 633.9287 1856.5392 1986.8984 112.5204 1.4497 -1080.2370 0.0000 0.0000 2694.1247 6205.2240 297.5736 3511.0993 6236.8029 297.3991 PRESSURE: 912600 0 0 0 0 0 0 0 0 0 GPRESSURE: 912600 0 0 0 0 0 0 0 0 0 PRESSAVG: 912600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 912600 0 0 0 0 0 0 0 0 0 TIMING: 912600 CPU: 3609.18, 0.00395167/step Wall: 3609.18, 0.00395167/step, 1.74247 hours remaining, 113.171875 MB of memory in use. ENERGY: 912600 641.7902 1832.9567 1973.7351 119.5238 1.7409 -1082.9368 0.0000 0.0000 2683.0044 6169.8141 296.3453 3486.8098 6203.3579 298.4237 PRESSURE: 912800 0 0 0 0 0 0 0 0 0 GPRESSURE: 912800 0 0 0 0 0 0 0 0 0 PRESSAVG: 912800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 912800 0 0 0 0 0 0 0 0 0 TIMING: 912800 CPU: 3609.97, 0.00395069/step Wall: 3609.97, 0.00395069/step, 1.74181 hours remaining, 113.171875 MB of memory in use. ENERGY: 912800 638.3940 1821.1270 1966.7643 110.4836 1.6219 -1102.7093 0.0000 0.0000 2669.4367 6105.1181 294.8467 3435.6814 6137.4166 295.6500 PRESSURE: 913000 0 0 0 0 0 0 0 0 0 GPRESSURE: 913000 0 0 0 0 0 0 0 0 0 PRESSAVG: 913000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 913000 0 0 0 0 0 0 0 0 0 TIMING: 913000 CPU: 3610.76, 0.0039511/step Wall: 3610.76, 0.0039511/step, 1.74178 hours remaining, 113.171875 MB of memory in use. ENERGY: 913000 642.7449 1835.1282 1943.6294 104.3129 2.0116 -1099.1355 0.0000 0.0000 2675.9401 6104.6317 295.5650 3428.6916 6137.9369 293.8577 PRESSURE: 913200 0 0 0 0 0 0 0 0 0 GPRESSURE: 913200 0 0 0 0 0 0 0 0 0 PRESSAVG: 913200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 913200 0 0 0 0 0 0 0 0 0 TIMING: 913200 CPU: 3611.55, 0.00394866/step Wall: 3611.55, 0.00394866/step, 1.74048 hours remaining, 113.171875 MB of memory in use. ENERGY: 913200 623.7526 1859.9397 1951.3682 97.9633 1.5158 -1088.1288 0.0000 0.0000 2636.1917 6082.6027 291.1747 3446.4109 6114.5772 293.8349 PRESSURE: 913400 0 0 0 0 0 0 0 0 0 GPRESSURE: 913400 0 0 0 0 0 0 0 0 0 PRESSAVG: 913400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 913400 0 0 0 0 0 0 0 0 0 TIMING: 913400 CPU: 3612.34, 0.00395206/step Wall: 3612.34, 0.00395206/step, 1.74176 hours remaining, 113.171875 MB of memory in use. ENERGY: 913400 638.2505 1774.8255 1955.1359 101.0575 0.8679 -1100.3109 0.0000 0.0000 2728.4473 6098.2737 301.3646 3369.8264 6133.8070 291.5322 PRESSURE: 913600 0 0 0 0 0 0 0 0 0 GPRESSURE: 913600 0 0 0 0 0 0 0 0 0 PRESSAVG: 913600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 913600 0 0 0 0 0 0 0 0 0 TIMING: 913600 CPU: 3613.13, 0.00395174/step Wall: 3613.13, 0.00395174/step, 1.7414 hours remaining, 113.171875 MB of memory in use. ENERGY: 913600 670.6126 1785.7274 1973.2778 102.6476 2.3732 -1101.2203 0.0000 0.0000 2664.3479 6097.7662 294.2847 3433.4183 6128.5416 293.9738 PRESSURE: 913800 0 0 0 0 0 0 0 0 0 GPRESSURE: 913800 0 0 0 0 0 0 0 0 0 PRESSAVG: 913800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 913800 0 0 0 0 0 0 0 0 0 TIMING: 913800 CPU: 3613.93, 0.00395171/step Wall: 3613.93, 0.00395171/step, 1.74117 hours remaining, 113.171875 MB of memory in use. ENERGY: 913800 664.8776 1790.4677 1988.8755 107.8974 2.0502 -1053.8950 0.0000 0.0000 2659.2521 6159.5255 293.7218 3500.2734 6194.9305 294.3032 PRESSURE: 914000 0 0 0 0 0 0 0 0 0 GPRESSURE: 914000 0 0 0 0 0 0 0 0 0 PRESSAVG: 914000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 914000 0 0 0 0 0 0 0 0 0 TIMING: 914000 CPU: 3614.71, 0.00394757/step Wall: 3614.71, 0.00394757/step, 1.73912 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 914000 659.5410 1826.0079 1983.6794 105.1400 1.7932 -1096.2885 0.0000 0.0000 2638.5755 6118.4486 291.4380 3479.8731 6148.8267 295.4586 PRESSURE: 914200 0 0 0 0 0 0 0 0 0 GPRESSURE: 914200 0 0 0 0 0 0 0 0 0 PRESSAVG: 914200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 914200 0 0 0 0 0 0 0 0 0 TIMING: 914200 CPU: 3615.51, 0.00395127/step Wall: 3615.51, 0.00395127/step, 1.74053 hours remaining, 113.171875 MB of memory in use. ENERGY: 914200 688.0506 1817.7324 1953.1230 108.7194 1.2278 -1106.4290 0.0000 0.0000 2649.2554 6111.6796 292.6176 3462.4242 6144.8662 294.7802 PRESSURE: 914400 0 0 0 0 0 0 0 0 0 GPRESSURE: 914400 0 0 0 0 0 0 0 0 0 PRESSAVG: 914400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 914400 0 0 0 0 0 0 0 0 0 TIMING: 914400 CPU: 3616.3, 0.0039509/step Wall: 3616.3, 0.0039509/step, 1.74015 hours remaining, 113.171875 MB of memory in use. ENERGY: 914400 644.2052 1795.6890 1987.8879 115.0694 1.5824 -1107.1428 0.0000 0.0000 2654.5531 6091.8443 293.2028 3437.2912 6125.5208 294.0819 PRESSURE: 914600 0 0 0 0 0 0 0 0 0 GPRESSURE: 914600 0 0 0 0 0 0 0 0 0 PRESSAVG: 914600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 914600 0 0 0 0 0 0 0 0 0 TIMING: 914600 CPU: 3617.09, 0.00395151/step Wall: 3617.09, 0.00395151/step, 1.7402 hours remaining, 113.171875 MB of memory in use. ENERGY: 914600 691.5192 1801.4176 1995.2101 113.2972 2.9700 -1116.4836 0.0000 0.0000 2671.8614 6159.7918 295.1145 3487.9305 6193.2300 296.0410 PRESSURE: 914800 0 0 0 0 0 0 0 0 0 GPRESSURE: 914800 0 0 0 0 0 0 0 0 0 PRESSAVG: 914800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 914800 0 0 0 0 0 0 0 0 0 TIMING: 914800 CPU: 3617.88, 0.00394989/step Wall: 3617.88, 0.00394989/step, 1.73927 hours remaining, 113.171875 MB of memory in use. ENERGY: 914800 617.8353 1859.2906 1972.7779 106.5957 0.8335 -1094.8948 0.0000 0.0000 2654.5205 6116.9587 293.1992 3462.4382 6147.1216 295.9568 PRESSURE: 915000 0 0 0 0 0 0 0 0 0 GPRESSURE: 915000 0 0 0 0 0 0 0 0 0 PRESSAVG: 915000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 915000 0 0 0 0 0 0 0 0 0 TIMING: 915000 CPU: 3618.67, 0.00394809/step Wall: 3618.67, 0.00394809/step, 1.73825 hours remaining, 113.171875 MB of memory in use. ENERGY: 915000 630.1706 1838.1821 1993.4398 115.6388 2.4145 -1105.6038 0.0000 0.0000 2649.6571 6123.8991 292.6620 3474.2420 6155.3248 292.9492 PRESSURE: 915200 0 0 0 0 0 0 0 0 0 GPRESSURE: 915200 0 0 0 0 0 0 0 0 0 PRESSAVG: 915200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 915200 0 0 0 0 0 0 0 0 0 TIMING: 915200 CPU: 3619.46, 0.00395572/step Wall: 3619.46, 0.00395572/step, 1.7414 hours remaining, 113.171875 MB of memory in use. ENERGY: 915200 644.6356 1804.7355 1992.2983 102.6197 3.0372 -1120.7880 0.0000 0.0000 2713.0462 6139.5844 299.6635 3426.5382 6171.4980 296.5585 PRESSURE: 915400 0 0 0 0 0 0 0 0 0 GPRESSURE: 915400 0 0 0 0 0 0 0 0 0 PRESSAVG: 915400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 915400 0 0 0 0 0 0 0 0 0 TIMING: 915400 CPU: 3620.25, 0.00395048/step Wall: 3620.25, 0.00395048/step, 1.73887 hours remaining, 113.171875 MB of memory in use. ENERGY: 915400 648.9274 1806.2430 1963.5574 109.8760 2.3155 -1097.8504 0.0000 0.0000 2700.0680 6133.1370 298.2300 3433.0690 6164.3588 296.6797 PRESSURE: 915600 0 0 0 0 0 0 0 0 0 GPRESSURE: 915600 0 0 0 0 0 0 0 0 0 PRESSAVG: 915600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 915600 0 0 0 0 0 0 0 0 0 TIMING: 915600 CPU: 3621.04, 0.00394907/step Wall: 3621.04, 0.00394907/step, 1.73803 hours remaining, 113.171875 MB of memory in use. ENERGY: 915600 657.9464 1865.9854 1950.6504 107.7986 3.5453 -1116.6325 0.0000 0.0000 2690.0564 6159.3501 297.1242 3469.2936 6191.2950 294.3305 PRESSURE: 915800 0 0 0 0 0 0 0 0 0 GPRESSURE: 915800 0 0 0 0 0 0 0 0 0 PRESSAVG: 915800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 915800 0 0 0 0 0 0 0 0 0 TIMING: 915800 CPU: 3621.83, 0.0039479/step Wall: 3621.83, 0.0039479/step, 1.7373 hours remaining, 113.171875 MB of memory in use. ENERGY: 915800 617.9748 1888.1779 1972.7309 116.2741 2.4546 -1088.7167 0.0000 0.0000 2649.1771 6158.0728 292.6090 3508.8957 6188.5633 295.4125 PRESSURE: 916000 0 0 0 0 0 0 0 0 0 GPRESSURE: 916000 0 0 0 0 0 0 0 0 0 PRESSAVG: 916000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 916000 0 0 0 0 0 0 0 0 0 TIMING: 916000 CPU: 3622.62, 0.00394822/step Wall: 3622.62, 0.00394822/step, 1.73721 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 916000 622.5918 1816.0010 1980.9756 111.8010 2.5369 -1108.1948 0.0000 0.0000 2685.4598 6111.1712 296.6165 3425.7115 6143.2802 295.4076 PRESSURE: 916200 0 0 0 0 0 0 0 0 0 GPRESSURE: 916200 0 0 0 0 0 0 0 0 0 PRESSAVG: 916200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 916200 0 0 0 0 0 0 0 0 0 TIMING: 916200 CPU: 3623.41, 0.00394902/step Wall: 3623.41, 0.00394902/step, 1.73735 hours remaining, 113.171875 MB of memory in use. ENERGY: 916200 646.4608 1780.5875 2003.5713 103.0013 1.7129 -1097.1480 0.0000 0.0000 2663.8153 6102.0011 294.2258 3438.1858 6134.9779 293.3109 LDB: ============= START OF LOAD BALANCING ============== 3626.36 LDB: ============== END OF LOAD BALANCING =============== 3626.36 LDB: =============== DONE WITH MIGRATION ================ 3626.36 LDB: ============= START OF LOAD BALANCING ============== 3626.76 LDB: ============== END OF LOAD BALANCING =============== 3626.76 LDB: =============== DONE WITH MIGRATION ================ 3626.76 PRESSURE: 916400 0 0 0 0 0 0 0 0 0 GPRESSURE: 916400 0 0 0 0 0 0 0 0 0 PRESSAVG: 916400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 916400 0 0 0 0 0 0 0 0 0 TIMING: 916400 CPU: 3624.2, 0.00395296/step Wall: 3624.2, 0.00395296/step, 1.73886 hours remaining, 113.171875 MB of memory in use. ENERGY: 916400 640.6329 1827.8751 1959.8860 100.3987 2.3645 -1094.2102 0.0000 0.0000 2681.6466 6118.5937 296.1953 3436.9471 6151.1498 293.1482 PRESSURE: 916600 0 0 0 0 0 0 0 0 0 GPRESSURE: 916600 0 0 0 0 0 0 0 0 0 PRESSAVG: 916600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 916600 0 0 0 0 0 0 0 0 0 TIMING: 916600 CPU: 3624.99, 0.00394746/step Wall: 3624.99, 0.00394746/step, 1.73623 hours remaining, 113.171875 MB of memory in use. ENERGY: 916600 632.7081 1844.4780 1982.9649 113.7525 3.2988 -1100.4823 0.0000 0.0000 2694.3339 6171.0538 297.5967 3476.7199 6205.4396 294.8513 PRESSURE: 916800 0 0 0 0 0 0 0 0 0 GPRESSURE: 916800 0 0 0 0 0 0 0 0 0 PRESSAVG: 916800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 916800 0 0 0 0 0 0 0 0 0 TIMING: 916800 CPU: 3625.77, 0.00394782/step Wall: 3625.77, 0.00394781/step, 1.73616 hours remaining, 113.171875 MB of memory in use. ENERGY: 916800 630.2600 1836.2122 2000.4273 106.4018 2.5886 -1060.9064 0.0000 0.0000 2702.1495 6217.1330 298.4599 3514.9835 6248.5346 297.2680 PRESSURE: 917000 0 0 0 0 0 0 0 0 0 GPRESSURE: 917000 0 0 0 0 0 0 0 0 0 PRESSAVG: 917000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 917000 0 0 0 0 0 0 0 0 0 TIMING: 917000 CPU: 3626.56, 0.00394689/step Wall: 3626.56, 0.0039469/step, 1.73554 hours remaining, 113.171875 MB of memory in use. ENERGY: 917000 656.8603 1842.4087 2000.1853 111.7035 2.7072 -1075.5340 0.0000 0.0000 2711.7139 6250.0449 299.5163 3538.3310 6285.8145 299.4729 PRESSURE: 917200 0 0 0 0 0 0 0 0 0 GPRESSURE: 917200 0 0 0 0 0 0 0 0 0 PRESSAVG: 917200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 917200 0 0 0 0 0 0 0 0 0 TIMING: 917200 CPU: 3627.35, 0.00394655/step Wall: 3627.35, 0.00394655/step, 1.73517 hours remaining, 113.171875 MB of memory in use. ENERGY: 917200 656.6482 1872.7218 1973.9431 117.1957 3.0091 -1053.8062 0.0000 0.0000 2714.4751 6284.1869 299.8213 3569.7117 6320.2341 300.4303 PRESSURE: 917400 0 0 0 0 0 0 0 0 0 GPRESSURE: 917400 0 0 0 0 0 0 0 0 0 PRESSAVG: 917400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 917400 0 0 0 0 0 0 0 0 0 TIMING: 917400 CPU: 3628.14, 0.00394653/step Wall: 3628.14, 0.00394653/step, 1.73494 hours remaining, 113.171875 MB of memory in use. ENERGY: 917400 683.5353 1898.5196 1983.6203 112.3493 2.1969 -1116.4683 0.0000 0.0000 2682.3755 6246.1285 296.2758 3563.7530 6276.3684 301.0822 PRESSURE: 917600 0 0 0 0 0 0 0 0 0 GPRESSURE: 917600 0 0 0 0 0 0 0 0 0 PRESSAVG: 917600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 917600 0 0 0 0 0 0 0 0 0 TIMING: 917600 CPU: 3628.93, 0.00394645/step Wall: 3628.93, 0.00394645/step, 1.73468 hours remaining, 113.171875 MB of memory in use. ENERGY: 917600 628.7286 1832.7764 2001.5715 91.3700 2.2338 -1053.3239 0.0000 0.0000 2694.2898 6197.6462 297.5918 3503.3563 6230.0412 297.9052 PRESSURE: 917800 0 0 0 0 0 0 0 0 0 GPRESSURE: 917800 0 0 0 0 0 0 0 0 0 PRESSAVG: 917800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 917800 0 0 0 0 0 0 0 0 0 TIMING: 917800 CPU: 3629.72, 0.00394662/step Wall: 3629.72, 0.00394662/step, 1.73454 hours remaining, 113.171875 MB of memory in use. ENERGY: 917800 631.5427 1842.6400 2007.1508 106.6309 1.8450 -1082.7421 0.0000 0.0000 2684.8868 6191.9540 296.5532 3507.0673 6226.6263 298.2912 PRESSURE: 918000 0 0 0 0 0 0 0 0 0 GPRESSURE: 918000 0 0 0 0 0 0 0 0 0 PRESSAVG: 918000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 918000 0 0 0 0 0 0 0 0 0 TIMING: 918000 CPU: 3630.51, 0.00394722/step Wall: 3630.51, 0.00394722/step, 1.73458 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 918000 665.9433 1870.5708 1995.1656 101.4766 2.9758 -1081.2282 0.0000 0.0000 2726.7791 6281.6830 301.1803 3554.9039 6314.0913 299.2673 PRESSURE: 918200 0 0 0 0 0 0 0 0 0 GPRESSURE: 918200 0 0 0 0 0 0 0 0 0 PRESSAVG: 918200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 918200 0 0 0 0 0 0 0 0 0 TIMING: 918200 CPU: 3631.3, 0.00394836/step Wall: 3631.3, 0.00394836/step, 1.73487 hours remaining, 113.171875 MB of memory in use. ENERGY: 918200 633.2945 1857.9184 2012.0859 108.6870 2.7837 -1095.8505 0.0000 0.0000 2722.8489 6241.7679 300.7462 3518.9190 6274.5002 300.6711 PRESSURE: 918400 0 0 0 0 0 0 0 0 0 GPRESSURE: 918400 0 0 0 0 0 0 0 0 0 PRESSAVG: 918400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 918400 0 0 0 0 0 0 0 0 0 TIMING: 918400 CPU: 3632.09, 0.00394724/step Wall: 3632.09, 0.00394724/step, 1.73416 hours remaining, 113.171875 MB of memory in use. ENERGY: 918400 661.8157 1829.7404 1952.6762 110.4812 1.8183 -1069.0726 0.0000 0.0000 2713.9070 6201.3662 299.7586 3487.4592 6234.2825 298.2204 PRESSURE: 918600 0 0 0 0 0 0 0 0 0 GPRESSURE: 918600 0 0 0 0 0 0 0 0 0 PRESSAVG: 918600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 918600 0 0 0 0 0 0 0 0 0 TIMING: 918600 CPU: 3632.88, 0.00394734/step Wall: 3632.88, 0.00394733/step, 1.73397 hours remaining, 113.171875 MB of memory in use. ENERGY: 918600 663.3693 1850.7213 1976.4473 104.0805 3.0983 -1124.8623 0.0000 0.0000 2770.9180 6243.7723 306.0556 3472.8543 6279.0044 299.7512 PRESSURE: 918800 0 0 0 0 0 0 0 0 0 GPRESSURE: 918800 0 0 0 0 0 0 0 0 0 PRESSAVG: 918800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 918800 0 0 0 0 0 0 0 0 0 TIMING: 918800 CPU: 3633.67, 0.00394652/step Wall: 3633.67, 0.00394652/step, 1.7334 hours remaining, 113.171875 MB of memory in use. ENERGY: 918800 648.5233 1878.8425 1974.6985 109.2019 3.1761 -1076.4583 0.0000 0.0000 2715.4109 6253.3951 299.9247 3537.9841 6284.7923 300.4098 PRESSURE: 919000 0 0 0 0 0 0 0 0 0 GPRESSURE: 919000 0 0 0 0 0 0 0 0 0 PRESSAVG: 919000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 919000 0 0 0 0 0 0 0 0 0 TIMING: 919000 CPU: 3634.46, 0.00394711/step Wall: 3634.46, 0.00394711/step, 1.73344 hours remaining, 113.171875 MB of memory in use. ENERGY: 919000 633.4713 1874.7640 1991.7670 114.3247 3.3890 -1083.3843 0.0000 0.0000 2691.1151 6225.4467 297.2412 3534.3316 6258.6248 300.3168 PRESSURE: 919200 0 0 0 0 0 0 0 0 0 GPRESSURE: 919200 0 0 0 0 0 0 0 0 0 PRESSAVG: 919200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 919200 0 0 0 0 0 0 0 0 0 TIMING: 919200 CPU: 3635.25, 0.0039473/step Wall: 3635.25, 0.0039473/step, 1.73331 hours remaining, 113.171875 MB of memory in use. ENERGY: 919200 627.5333 1859.9875 1987.2156 105.5738 2.1767 -1088.4117 0.0000 0.0000 2764.2228 6258.2980 305.3161 3494.0752 6292.8003 301.6385 PRESSURE: 919400 0 0 0 0 0 0 0 0 0 GPRESSURE: 919400 0 0 0 0 0 0 0 0 0 PRESSAVG: 919400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 919400 0 0 0 0 0 0 0 0 0 TIMING: 919400 CPU: 3636.04, 0.00394809/step Wall: 3636.04, 0.00394809/step, 1.73343 hours remaining, 113.171875 MB of memory in use. ENERGY: 919400 646.0826 1847.1196 1988.3257 114.2442 3.8908 -1076.6960 0.0000 0.0000 2787.6496 6310.6166 307.9037 3522.9670 6345.6752 303.2829 PRESSURE: 919600 0 0 0 0 0 0 0 0 0 GPRESSURE: 919600 0 0 0 0 0 0 0 0 0 PRESSAVG: 919600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 919600 0 0 0 0 0 0 0 0 0 TIMING: 919600 CPU: 3636.83, 0.00394691/step Wall: 3636.83, 0.00394691/step, 1.7327 hours remaining, 113.171875 MB of memory in use. ENERGY: 919600 661.7765 1857.2535 2024.9715 103.7939 4.3302 -1098.0800 0.0000 0.0000 2732.5085 6286.5543 301.8132 3554.0458 6318.0053 302.2966 PRESSURE: 919800 0 0 0 0 0 0 0 0 0 GPRESSURE: 919800 0 0 0 0 0 0 0 0 0 PRESSAVG: 919800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 919800 0 0 0 0 0 0 0 0 0 TIMING: 919800 CPU: 3637.62, 0.00394672/step Wall: 3637.62, 0.00394672/step, 1.73239 hours remaining, 113.171875 MB of memory in use. ENERGY: 919800 686.1403 1829.4860 2022.9046 118.7441 3.4903 -1097.0008 0.0000 0.0000 2725.9964 6289.7608 301.0939 3563.7645 6324.4293 302.7453 PRESSURE: 920000 0 0 0 0 0 0 0 0 0 GPRESSURE: 920000 0 0 0 0 0 0 0 0 0 PRESSAVG: 920000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 920000 0 0 0 0 0 0 0 0 0 TIMING: 920000 CPU: 3638.41, 0.00394915/step Wall: 3638.41, 0.00394915/step, 1.73324 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 920000 676.5891 1895.1903 1997.2895 115.6693 2.3806 -1096.2383 0.0000 0.0000 2714.5253 6305.4059 299.8269 3590.8806 6337.7405 303.0892 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 920000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 920000 WRITING COORDINATES TO RESTART FILE AT STEP 920000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 920000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 920200 0 0 0 0 0 0 0 0 0 GPRESSURE: 920200 0 0 0 0 0 0 0 0 0 PRESSAVG: 920200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 920200 0 0 0 0 0 0 0 0 0 TIMING: 920200 CPU: 3639.22, 0.00407891/step Wall: 3639.22, 0.00407891/step, 1.78996 hours remaining, 113.171875 MB of memory in use. ENERGY: 920200 663.7597 1848.1114 1976.6479 113.9528 2.7464 -1057.4994 0.0000 0.0000 2716.8905 6264.6092 300.0881 3547.7187 6297.5426 301.8710 LDB: ============= START OF LOAD BALANCING ============== 3642.18 LDB: ============== END OF LOAD BALANCING =============== 3642.18 LDB: =============== DONE WITH MIGRATION ================ 3642.18 LDB: ============= START OF LOAD BALANCING ============== 3642.58 LDB: ============== END OF LOAD BALANCING =============== 3642.58 LDB: =============== DONE WITH MIGRATION ================ 3642.58 PRESSURE: 920400 0 0 0 0 0 0 0 0 0 GPRESSURE: 920400 0 0 0 0 0 0 0 0 0 PRESSAVG: 920400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 920400 0 0 0 0 0 0 0 0 0 TIMING: 920400 CPU: 3640.01, 0.00395085/step Wall: 3640.01, 0.00395085/step, 1.73354 hours remaining, 113.171875 MB of memory in use. ENERGY: 920400 637.3534 1867.1273 1978.4824 97.8574 1.2435 -1080.9998 0.0000 0.0000 2791.4044 6292.4686 308.3184 3501.0643 6327.0475 301.0023 PRESSURE: 920600 0 0 0 0 0 0 0 0 0 GPRESSURE: 920600 0 0 0 0 0 0 0 0 0 PRESSAVG: 920600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 920600 0 0 0 0 0 0 0 0 0 TIMING: 920600 CPU: 3640.8, 0.00394611/step Wall: 3640.8, 0.00394611/step, 1.73124 hours remaining, 113.171875 MB of memory in use. ENERGY: 920600 681.1197 1879.9760 1949.4432 101.6210 1.6364 -1037.8692 0.0000 0.0000 2757.8604 6333.7874 304.6134 3575.9270 6368.9620 304.5897 PRESSURE: 920800 0 0 0 0 0 0 0 0 0 GPRESSURE: 920800 0 0 0 0 0 0 0 0 0 PRESSAVG: 920800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 920800 0 0 0 0 0 0 0 0 0 TIMING: 920800 CPU: 3641.59, 0.00394643/step Wall: 3641.59, 0.00394643/step, 1.73117 hours remaining, 113.171875 MB of memory in use. ENERGY: 920800 624.0023 1860.5425 2008.8779 113.0435 1.6544 -1060.6148 0.0000 0.0000 2708.6746 6256.1804 299.1807 3547.5058 6288.7379 302.2136 PRESSURE: 921000 0 0 0 0 0 0 0 0 0 GPRESSURE: 921000 0 0 0 0 0 0 0 0 0 PRESSAVG: 921000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 921000 0 0 0 0 0 0 0 0 0 TIMING: 921000 CPU: 3642.38, 0.0039562/step Wall: 3642.38, 0.0039562/step, 1.73523 hours remaining, 113.171875 MB of memory in use. ENERGY: 921000 645.7528 1819.3448 1978.3453 113.0954 2.9200 -1091.5382 0.0000 0.0000 2748.3819 6216.3020 303.5664 3467.9201 6251.6837 298.4120 PRESSURE: 921200 0 0 0 0 0 0 0 0 0 GPRESSURE: 921200 0 0 0 0 0 0 0 0 0 PRESSAVG: 921200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 921200 0 0 0 0 0 0 0 0 0 TIMING: 921200 CPU: 3643.17, 0.00395014/step Wall: 3643.17, 0.00395014/step, 1.73236 hours remaining, 113.171875 MB of memory in use. ENERGY: 921200 669.1376 1857.1869 1962.6254 102.5417 0.9825 -1115.5407 0.0000 0.0000 2764.6212 6241.5546 305.3601 3476.9334 6273.1084 300.3274 PRESSURE: 921400 0 0 0 0 0 0 0 0 0 GPRESSURE: 921400 0 0 0 0 0 0 0 0 0 PRESSAVG: 921400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 921400 0 0 0 0 0 0 0 0 0 TIMING: 921400 CPU: 3643.96, 0.00395133/step Wall: 3643.96, 0.00395133/step, 1.73266 hours remaining, 113.171875 MB of memory in use. ENERGY: 921400 690.0669 1832.6048 2005.6479 94.6243 2.3075 -1085.2107 0.0000 0.0000 2645.3042 6185.3448 292.1812 3540.0406 6216.1071 298.5052 PRESSURE: 921600 0 0 0 0 0 0 0 0 0 GPRESSURE: 921600 0 0 0 0 0 0 0 0 0 PRESSAVG: 921600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 921600 0 0 0 0 0 0 0 0 0 TIMING: 921600 CPU: 3644.75, 0.00394664/step Wall: 3644.75, 0.00394665/step, 1.73038 hours remaining, 113.171875 MB of memory in use. ENERGY: 921600 642.3422 1879.5634 1966.1673 110.5976 3.0972 -1067.9719 0.0000 0.0000 2655.6330 6189.4287 293.3221 3533.7957 6221.3121 297.5144 PRESSURE: 921800 0 0 0 0 0 0 0 0 0 GPRESSURE: 921800 0 0 0 0 0 0 0 0 0 PRESSAVG: 921800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 921800 0 0 0 0 0 0 0 0 0 TIMING: 921800 CPU: 3645.54, 0.0039516/step Wall: 3645.54, 0.0039516/step, 1.73234 hours remaining, 113.171875 MB of memory in use. ENERGY: 921800 654.6069 1879.5111 2003.4599 113.0649 2.4431 -1118.6274 0.0000 0.0000 2702.9145 6237.3729 298.5444 3534.4585 6272.0578 298.9273 PRESSURE: 922000 0 0 0 0 0 0 0 0 0 GPRESSURE: 922000 0 0 0 0 0 0 0 0 0 PRESSAVG: 922000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 922000 0 0 0 0 0 0 0 0 0 TIMING: 922000 CPU: 3646.33, 0.00395006/step Wall: 3646.33, 0.00395006/step, 1.73144 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 922000 680.6667 1844.6802 2000.0679 119.3049 4.1304 -1093.1275 0.0000 0.0000 2691.9711 6247.6936 297.3357 3555.7226 6280.0618 299.4151 PRESSURE: 922200 0 0 0 0 0 0 0 0 0 GPRESSURE: 922200 0 0 0 0 0 0 0 0 0 PRESSAVG: 922200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 922200 0 0 0 0 0 0 0 0 0 TIMING: 922200 CPU: 3647.12, 0.00394897/step Wall: 3647.12, 0.00394897/step, 1.73074 hours remaining, 113.171875 MB of memory in use. ENERGY: 922200 663.4927 1858.3438 2001.3614 107.9984 2.6541 -1087.8102 0.0000 0.0000 2738.3378 6284.3779 302.4570 3546.0401 6317.0552 301.4815 PRESSURE: 922400 0 0 0 0 0 0 0 0 0 GPRESSURE: 922400 0 0 0 0 0 0 0 0 0 PRESSAVG: 922400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 922400 0 0 0 0 0 0 0 0 0 TIMING: 922400 CPU: 3647.91, 0.00394866/step Wall: 3647.91, 0.00394866/step, 1.73039 hours remaining, 113.171875 MB of memory in use. ENERGY: 922400 654.1615 1831.0843 1990.2316 102.9553 1.7528 -1048.9527 0.0000 0.0000 2721.7933 6253.0261 300.6297 3531.2328 6290.1620 302.6243 PRESSURE: 922600 0 0 0 0 0 0 0 0 0 GPRESSURE: 922600 0 0 0 0 0 0 0 0 0 PRESSAVG: 922600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 922600 0 0 0 0 0 0 0 0 0 TIMING: 922600 CPU: 3648.7, 0.00394639/step Wall: 3648.7, 0.00394639/step, 1.72918 hours remaining, 113.171875 MB of memory in use. ENERGY: 922600 680.1509 1798.9533 1977.7749 109.1052 2.4149 -1032.7062 0.0000 0.0000 2728.5358 6264.2287 301.3744 3535.6929 6296.4887 298.8624 PRESSURE: 922800 0 0 0 0 0 0 0 0 0 GPRESSURE: 922800 0 0 0 0 0 0 0 0 0 PRESSAVG: 922800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 922800 0 0 0 0 0 0 0 0 0 TIMING: 922800 CPU: 3649.49, 0.00395056/step Wall: 3649.49, 0.00395056/step, 1.73078 hours remaining, 113.171875 MB of memory in use. ENERGY: 922800 653.9651 1810.0925 1985.3780 103.7705 1.9704 -1057.4967 0.0000 0.0000 2750.2188 6247.8985 303.7693 3497.6797 6283.1628 298.5111 PRESSURE: 923000 0 0 0 0 0 0 0 0 0 GPRESSURE: 923000 0 0 0 0 0 0 0 0 0 PRESSAVG: 923000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 923000 0 0 0 0 0 0 0 0 0 TIMING: 923000 CPU: 3650.28, 0.00394984/step Wall: 3650.28, 0.00394984/step, 1.73025 hours remaining, 113.171875 MB of memory in use. ENERGY: 923000 672.2507 1879.8775 2001.7597 106.5729 3.4636 -1070.8543 0.0000 0.0000 2615.7106 6208.7807 288.9125 3593.0701 6241.7532 299.8109 PRESSURE: 923200 0 0 0 0 0 0 0 0 0 GPRESSURE: 923200 0 0 0 0 0 0 0 0 0 PRESSAVG: 923200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 923200 0 0 0 0 0 0 0 0 0 TIMING: 923200 CPU: 3651.07, 0.00395019/step Wall: 3651.07, 0.00395019/step, 1.73018 hours remaining, 113.171875 MB of memory in use. ENERGY: 923200 621.3069 1795.7027 2009.6268 127.5521 3.0443 -1065.2231 0.0000 0.0000 2658.3412 6150.3508 293.6212 3492.0096 6187.4086 297.4834 PRESSURE: 923400 0 0 0 0 0 0 0 0 0 GPRESSURE: 923400 0 0 0 0 0 0 0 0 0 PRESSAVG: 923400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 923400 0 0 0 0 0 0 0 0 0 TIMING: 923400 CPU: 3651.86, 0.00394846/step Wall: 3651.86, 0.00394846/step, 1.72921 hours remaining, 113.171875 MB of memory in use. ENERGY: 923400 637.5245 1791.6585 1996.0640 111.9815 2.4223 -1070.9135 0.0000 0.0000 2722.6779 6191.4152 300.7274 3468.7374 6226.0092 297.0827 PRESSURE: 923600 0 0 0 0 0 0 0 0 0 GPRESSURE: 923600 0 0 0 0 0 0 0 0 0 PRESSAVG: 923600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 923600 0 0 0 0 0 0 0 0 0 TIMING: 923600 CPU: 3652.65, 0.00394547/step Wall: 3652.65, 0.00394547/step, 1.72768 hours remaining, 113.171875 MB of memory in use. ENERGY: 923600 696.1033 1785.0131 1991.1859 103.1292 1.6029 -1097.0235 0.0000 0.0000 2677.7995 6157.8104 295.7704 3480.0109 6191.6554 296.2984 PRESSURE: 923800 0 0 0 0 0 0 0 0 0 GPRESSURE: 923800 0 0 0 0 0 0 0 0 0 PRESSAVG: 923800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 923800 0 0 0 0 0 0 0 0 0 TIMING: 923800 CPU: 3653.44, 0.00394861/step Wall: 3653.44, 0.00394861/step, 1.72883 hours remaining, 113.171875 MB of memory in use. ENERGY: 923800 670.0076 1839.5928 1984.6260 109.9444 1.1374 -1067.3551 0.0000 0.0000 2667.6505 6205.6037 294.6494 3537.9531 6236.9100 296.4331 PRESSURE: 924000 0 0 0 0 0 0 0 0 0 GPRESSURE: 924000 0 0 0 0 0 0 0 0 0 PRESSAVG: 924000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 924000 0 0 0 0 0 0 0 0 0 TIMING: 924000 CPU: 3654.23, 0.00394941/step Wall: 3654.23, 0.00394941/step, 1.72896 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 924000 640.2459 1765.7646 2005.7868 108.7575 3.5722 -1086.9264 0.0000 0.0000 2629.4135 6066.6141 290.4260 3437.2006 6099.8131 295.3087 PRESSURE: 924200 0 0 0 0 0 0 0 0 0 GPRESSURE: 924200 0 0 0 0 0 0 0 0 0 PRESSAVG: 924200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 924200 0 0 0 0 0 0 0 0 0 TIMING: 924200 CPU: 3655.02, 0.00394866/step Wall: 3655.02, 0.00394866/step, 1.72842 hours remaining, 113.171875 MB of memory in use. ENERGY: 924200 612.4123 1814.5110 1971.0759 107.0142 2.2969 -1039.1559 0.0000 0.0000 2699.8720 6168.0265 298.2084 3468.1545 6200.8614 295.2358 LDB: ============= START OF LOAD BALANCING ============== 3657.98 LDB: ============== END OF LOAD BALANCING =============== 3657.98 LDB: =============== DONE WITH MIGRATION ================ 3657.98 LDB: ============= START OF LOAD BALANCING ============== 3658.37 LDB: ============== END OF LOAD BALANCING =============== 3658.37 LDB: =============== DONE WITH MIGRATION ================ 3658.37 PRESSURE: 924400 0 0 0 0 0 0 0 0 0 GPRESSURE: 924400 0 0 0 0 0 0 0 0 0 PRESSAVG: 924400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 924400 0 0 0 0 0 0 0 0 0 TIMING: 924400 CPU: 3655.81, 0.00395051/step Wall: 3655.81, 0.00395051/step, 1.72901 hours remaining, 113.171875 MB of memory in use. ENERGY: 924400 677.5937 1803.7479 1970.3648 112.8946 2.5588 -1045.8952 0.0000 0.0000 2663.4567 6184.7213 294.1862 3521.2646 6215.4619 296.8579 PRESSURE: 924600 0 0 0 0 0 0 0 0 0 GPRESSURE: 924600 0 0 0 0 0 0 0 0 0 PRESSAVG: 924600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 924600 0 0 0 0 0 0 0 0 0 TIMING: 924600 CPU: 3656.6, 0.00394823/step Wall: 3656.6, 0.00394823/step, 1.72779 hours remaining, 113.171875 MB of memory in use. ENERGY: 924600 653.2505 1820.0591 1965.2584 107.1908 2.4188 -1049.3529 0.0000 0.0000 2637.8239 6136.6487 291.3550 3498.8248 6165.6752 295.2444 PRESSURE: 924800 0 0 0 0 0 0 0 0 0 GPRESSURE: 924800 0 0 0 0 0 0 0 0 0 PRESSAVG: 924800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 924800 0 0 0 0 0 0 0 0 0 TIMING: 924800 CPU: 3657.39, 0.00394978/step Wall: 3657.39, 0.00394978/step, 1.72825 hours remaining, 113.171875 MB of memory in use. ENERGY: 924800 638.7625 1767.8541 1983.0068 102.3384 1.1658 -1086.1124 0.0000 0.0000 2691.7696 6098.7847 297.3134 3407.0151 6130.7531 294.1884 PRESSURE: 925000 0 0 0 0 0 0 0 0 0 GPRESSURE: 925000 0 0 0 0 0 0 0 0 0 PRESSAVG: 925000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 925000 0 0 0 0 0 0 0 0 0 TIMING: 925000 CPU: 3658.18, 0.00395025/step Wall: 3658.18, 0.00395025/step, 1.72823 hours remaining, 113.171875 MB of memory in use. ENERGY: 925000 633.6615 1814.4440 1978.3049 102.7725 2.4373 -1116.5358 0.0000 0.0000 2671.2441 6086.3285 295.0464 3415.0844 6116.3518 293.1637 PRESSURE: 925200 0 0 0 0 0 0 0 0 0 GPRESSURE: 925200 0 0 0 0 0 0 0 0 0 PRESSAVG: 925200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 925200 0 0 0 0 0 0 0 0 0 TIMING: 925200 CPU: 3658.97, 0.00395352/step Wall: 3658.97, 0.00395352/step, 1.72945 hours remaining, 113.171875 MB of memory in use. ENERGY: 925200 631.1672 1853.4503 1961.8771 102.9213 1.7324 -1104.4178 0.0000 0.0000 2664.0937 6110.8241 294.2566 3446.7305 6142.1243 291.7517 PRESSURE: 925400 0 0 0 0 0 0 0 0 0 GPRESSURE: 925400 0 0 0 0 0 0 0 0 0 PRESSAVG: 925400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 925400 0 0 0 0 0 0 0 0 0 TIMING: 925400 CPU: 3659.76, 0.0039485/step Wall: 3659.76, 0.0039485/step, 1.72703 hours remaining, 113.171875 MB of memory in use. ENERGY: 925400 643.1315 1815.7421 1962.6801 109.8393 1.8937 -1070.5214 0.0000 0.0000 2681.5132 6144.2784 296.1806 3462.7653 6178.0763 294.1084 PRESSURE: 925600 0 0 0 0 0 0 0 0 0 GPRESSURE: 925600 0 0 0 0 0 0 0 0 0 PRESSAVG: 925600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 925600 0 0 0 0 0 0 0 0 0 TIMING: 925600 CPU: 3660.55, 0.00394657/step Wall: 3660.55, 0.00394657/step, 1.72597 hours remaining, 113.171875 MB of memory in use. ENERGY: 925600 630.9752 1841.7115 1987.2525 111.0436 2.7145 -1057.2384 0.0000 0.0000 2612.5943 6129.0532 288.5683 3516.4589 6157.5674 294.2620 PRESSURE: 925800 0 0 0 0 0 0 0 0 0 GPRESSURE: 925800 0 0 0 0 0 0 0 0 0 PRESSAVG: 925800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 925800 0 0 0 0 0 0 0 0 0 TIMING: 925800 CPU: 3661.34, 0.00394728/step Wall: 3661.34, 0.00394728/step, 1.72606 hours remaining, 113.171875 MB of memory in use. ENERGY: 925800 650.3204 1815.6569 2006.6973 110.1512 2.2973 -1054.6397 0.0000 0.0000 2697.7845 6228.2680 297.9778 3530.4835 6261.1360 296.2709 PRESSURE: 926000 0 0 0 0 0 0 0 0 0 GPRESSURE: 926000 0 0 0 0 0 0 0 0 0 PRESSAVG: 926000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 926000 0 0 0 0 0 0 0 0 0 TIMING: 926000 CPU: 3662.13, 0.00394776/step Wall: 3662.13, 0.00394776/step, 1.72605 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 926000 658.8083 1867.8502 1980.6652 102.1038 3.2935 -1078.3624 0.0000 0.0000 2680.8311 6215.1896 296.1053 3534.3585 6247.5147 299.1800 PRESSURE: 926200 0 0 0 0 0 0 0 0 0 GPRESSURE: 926200 0 0 0 0 0 0 0 0 0 PRESSAVG: 926200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 926200 0 0 0 0 0 0 0 0 0 TIMING: 926200 CPU: 3662.92, 0.00394601/step Wall: 3662.92, 0.00394601/step, 1.72507 hours remaining, 113.171875 MB of memory in use. ENERGY: 926200 620.3489 1822.0932 1979.9223 106.4951 2.7179 -1046.8028 0.0000 0.0000 2687.7064 6172.4810 296.8647 3484.7746 6203.1971 297.3859 PRESSURE: 926400 0 0 0 0 0 0 0 0 0 GPRESSURE: 926400 0 0 0 0 0 0 0 0 0 PRESSAVG: 926400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 926400 0 0 0 0 0 0 0 0 0 TIMING: 926400 CPU: 3663.71, 0.00394615/step Wall: 3663.71, 0.00394615/step, 1.72491 hours remaining, 113.171875 MB of memory in use. ENERGY: 926400 639.4395 1851.7411 1980.3527 109.5402 3.0030 -1096.5045 0.0000 0.0000 2692.0492 6179.6213 297.3443 3487.5721 6213.4494 295.8975 PRESSURE: 926600 0 0 0 0 0 0 0 0 0 GPRESSURE: 926600 0 0 0 0 0 0 0 0 0 PRESSAVG: 926600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 926600 0 0 0 0 0 0 0 0 0 TIMING: 926600 CPU: 3664.49, 0.00394605/step Wall: 3664.49, 0.00394605/step, 1.72464 hours remaining, 113.171875 MB of memory in use. ENERGY: 926600 661.0010 1792.0006 1994.4807 108.9982 2.4949 -1109.1286 0.0000 0.0000 2668.3731 6118.2199 294.7292 3449.8468 6152.8363 295.4998 PRESSURE: 926800 0 0 0 0 0 0 0 0 0 GPRESSURE: 926800 0 0 0 0 0 0 0 0 0 PRESSAVG: 926800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 926800 0 0 0 0 0 0 0 0 0 TIMING: 926800 CPU: 3665.28, 0.00394594/step Wall: 3665.28, 0.00394594/step, 1.72438 hours remaining, 113.171875 MB of memory in use. ENERGY: 926800 633.8541 1758.1849 1977.5363 106.5930 1.8159 -1064.1559 0.0000 0.0000 2660.0937 6073.9221 293.8148 3413.8284 6107.2540 291.7612 PRESSURE: 927000 0 0 0 0 0 0 0 0 0 GPRESSURE: 927000 0 0 0 0 0 0 0 0 0 PRESSAVG: 927000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 927000 0 0 0 0 0 0 0 0 0 TIMING: 927000 CPU: 3666.07, 0.00394463/step Wall: 3666.07, 0.00394463/step, 1.72358 hours remaining, 113.171875 MB of memory in use. ENERGY: 927000 657.1277 1819.7883 1962.0754 109.2073 2.6483 -1050.9010 0.0000 0.0000 2655.3619 6155.3079 293.2921 3499.9459 6184.2048 292.2599 PRESSURE: 927200 0 0 0 0 0 0 0 0 0 GPRESSURE: 927200 0 0 0 0 0 0 0 0 0 PRESSAVG: 927200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 927200 0 0 0 0 0 0 0 0 0 TIMING: 927200 CPU: 3666.86, 0.00394594/step Wall: 3666.86, 0.00394594/step, 1.72394 hours remaining, 113.171875 MB of memory in use. ENERGY: 927200 667.6258 1808.6100 1954.9103 114.6392 3.7784 -1059.1050 0.0000 0.0000 2648.4666 6138.9254 292.5305 3490.4588 6171.3500 295.3239 PRESSURE: 927400 0 0 0 0 0 0 0 0 0 GPRESSURE: 927400 0 0 0 0 0 0 0 0 0 PRESSAVG: 927400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 927400 0 0 0 0 0 0 0 0 0 TIMING: 927400 CPU: 3667.65, 0.00394619/step Wall: 3667.65, 0.00394619/step, 1.72383 hours remaining, 113.171875 MB of memory in use. ENERGY: 927400 671.9510 1792.1256 2005.1751 118.3956 3.3760 -1083.9805 0.0000 0.0000 2610.9156 6117.9584 288.3829 3507.0428 6150.8829 293.2534 PRESSURE: 927600 0 0 0 0 0 0 0 0 0 GPRESSURE: 927600 0 0 0 0 0 0 0 0 0 PRESSAVG: 927600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 927600 0 0 0 0 0 0 0 0 0 TIMING: 927600 CPU: 3668.44, 0.00394699/step Wall: 3668.44, 0.00394699/step, 1.72396 hours remaining, 113.171875 MB of memory in use. ENERGY: 927600 644.5953 1839.9461 1962.3882 97.7489 3.3584 -1065.9147 0.0000 0.0000 2667.7153 6149.8374 294.6566 3482.1222 6180.7505 293.7284 PRESSURE: 927800 0 0 0 0 0 0 0 0 0 GPRESSURE: 927800 0 0 0 0 0 0 0 0 0 PRESSAVG: 927800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 927800 0 0 0 0 0 0 0 0 0 TIMING: 927800 CPU: 3669.23, 0.00394584/step Wall: 3669.23, 0.00394584/step, 1.72323 hours remaining, 113.171875 MB of memory in use. ENERGY: 927800 664.6956 1852.9380 1980.9813 108.7747 2.8272 -1079.8930 0.0000 0.0000 2634.3809 6164.7048 290.9747 3530.3239 6197.5688 296.6422 PRESSURE: 928000 0 0 0 0 0 0 0 0 0 GPRESSURE: 928000 0 0 0 0 0 0 0 0 0 PRESSAVG: 928000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 928000 0 0 0 0 0 0 0 0 0 TIMING: 928000 CPU: 3670.02, 0.0039456/step Wall: 3670.02, 0.0039456/step, 1.72291 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 928000 663.6553 1785.7382 1983.6562 106.6672 1.8259 -1052.3558 0.0000 0.0000 2691.6895 6180.8764 297.3046 3489.1869 6211.6184 295.5689 PRESSURE: 928200 0 0 0 0 0 0 0 0 0 GPRESSURE: 928200 0 0 0 0 0 0 0 0 0 PRESSAVG: 928200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 928200 0 0 0 0 0 0 0 0 0 TIMING: 928200 CPU: 3670.81, 0.00394748/step Wall: 3670.81, 0.00394748/step, 1.72351 hours remaining, 113.171875 MB of memory in use. ENERGY: 928200 644.4834 1822.2902 1968.9916 118.9939 1.8628 -1044.2295 0.0000 0.0000 2709.3056 6221.6980 299.2504 3512.3924 6254.8867 297.5392 LDB: ============= START OF LOAD BALANCING ============== 3673.77 LDB: ============== END OF LOAD BALANCING =============== 3673.77 LDB: =============== DONE WITH MIGRATION ================ 3673.77 LDB: ============= START OF LOAD BALANCING ============== 3674.16 LDB: ============== END OF LOAD BALANCING =============== 3674.16 LDB: =============== DONE WITH MIGRATION ================ 3674.16 PRESSURE: 928400 0 0 0 0 0 0 0 0 0 GPRESSURE: 928400 0 0 0 0 0 0 0 0 0 PRESSAVG: 928400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 928400 0 0 0 0 0 0 0 0 0 TIMING: 928400 CPU: 3671.6, 0.00395207/step Wall: 3671.6, 0.00395207/step, 1.7253 hours remaining, 113.171875 MB of memory in use. ENERGY: 928400 645.6480 1834.1328 1964.9920 98.2140 1.9028 -1052.9535 0.0000 0.0000 2740.5816 6232.5177 302.7049 3491.9361 6266.3679 300.3457 PRESSURE: 928600 0 0 0 0 0 0 0 0 0 GPRESSURE: 928600 0 0 0 0 0 0 0 0 0 PRESSAVG: 928600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 928600 0 0 0 0 0 0 0 0 0 TIMING: 928600 CPU: 3672.39, 0.00394617/step Wall: 3672.39, 0.00394617/step, 1.72251 hours remaining, 113.171875 MB of memory in use. ENERGY: 928600 622.4492 1828.4376 1967.1280 97.6457 3.0850 -1074.2082 0.0000 0.0000 2713.7883 6158.3256 299.7455 3444.5373 6193.8267 296.9262 PRESSURE: 928800 0 0 0 0 0 0 0 0 0 GPRESSURE: 928800 0 0 0 0 0 0 0 0 0 PRESSAVG: 928800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 928800 0 0 0 0 0 0 0 0 0 TIMING: 928800 CPU: 3673.18, 0.00394518/step Wall: 3673.18, 0.00394518/step, 1.72185 hours remaining, 113.171875 MB of memory in use. ENERGY: 928800 608.1449 1837.8598 1973.1953 109.8253 3.2107 -1058.3563 0.0000 0.0000 2686.2947 6160.1743 296.7087 3473.8796 6193.0034 296.1688 PRESSURE: 929000 0 0 0 0 0 0 0 0 0 GPRESSURE: 929000 0 0 0 0 0 0 0 0 0 PRESSAVG: 929000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 929000 0 0 0 0 0 0 0 0 0 TIMING: 929000 CPU: 3673.97, 0.00394479/step Wall: 3673.97, 0.00394479/step, 1.72146 hours remaining, 113.171875 MB of memory in use. ENERGY: 929000 618.2592 1827.8923 1974.2680 108.2458 2.1438 -1050.1579 0.0000 0.0000 2682.8237 6163.4750 296.3253 3480.6513 6197.3663 296.3938 PRESSURE: 929200 0 0 0 0 0 0 0 0 0 GPRESSURE: 929200 0 0 0 0 0 0 0 0 0 PRESSAVG: 929200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 929200 0 0 0 0 0 0 0 0 0 TIMING: 929200 CPU: 3674.76, 0.0039452/step Wall: 3674.76, 0.0039452/step, 1.72142 hours remaining, 113.171875 MB of memory in use. ENERGY: 929200 672.1084 1791.0176 1997.4829 98.8508 1.7817 -1068.4312 0.0000 0.0000 2651.1715 6143.9816 292.8293 3492.8101 6176.7324 294.6905 PRESSURE: 929400 0 0 0 0 0 0 0 0 0 GPRESSURE: 929400 0 0 0 0 0 0 0 0 0 PRESSAVG: 929400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 929400 0 0 0 0 0 0 0 0 0 TIMING: 929400 CPU: 3675.54, 0.0039476/step Wall: 3675.54, 0.0039476/step, 1.72225 hours remaining, 113.171875 MB of memory in use. ENERGY: 929400 614.6730 1876.7934 2012.8105 109.5227 1.4573 -1056.0917 0.0000 0.0000 2656.7699 6215.9350 293.4476 3559.1651 6247.9944 297.0943 PRESSURE: 929600 0 0 0 0 0 0 0 0 0 GPRESSURE: 929600 0 0 0 0 0 0 0 0 0 PRESSAVG: 929600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 929600 0 0 0 0 0 0 0 0 0 TIMING: 929600 CPU: 3676.33, 0.003947/step Wall: 3676.33, 0.003947/step, 1.72177 hours remaining, 113.171875 MB of memory in use. ENERGY: 929600 646.4007 1813.9533 1983.9017 104.6974 1.9670 -1100.4927 0.0000 0.0000 2751.7189 6202.1464 303.9350 3450.4274 6238.1438 299.6704 PRESSURE: 929800 0 0 0 0 0 0 0 0 0 GPRESSURE: 929800 0 0 0 0 0 0 0 0 0 PRESSAVG: 929800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 929800 0 0 0 0 0 0 0 0 0 TIMING: 929800 CPU: 3677.12, 0.00394675/step Wall: 3677.12, 0.00394675/step, 1.72144 hours remaining, 113.171875 MB of memory in use. ENERGY: 929800 622.5566 1784.7380 1960.3446 128.6339 2.1343 -1029.4315 0.0000 0.0000 2665.5237 6134.4996 294.4145 3468.9758 6168.0478 294.2193 PRESSURE: 930000 0 0 0 0 0 0 0 0 0 GPRESSURE: 930000 0 0 0 0 0 0 0 0 0 PRESSAVG: 930000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 930000 0 0 0 0 0 0 0 0 0 TIMING: 930000 CPU: 3677.91, 0.00394701/step Wall: 3677.91, 0.003947/step, 1.72133 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 930000 655.9886 1856.6667 1984.9326 112.3100 1.0635 -1087.4925 0.0000 0.0000 2635.4951 6158.9640 291.0978 3523.4689 6193.4800 294.7971 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 930000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 930000 WRITING COORDINATES TO RESTART FILE AT STEP 930000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 930000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 930200 0 0 0 0 0 0 0 0 0 GPRESSURE: 930200 0 0 0 0 0 0 0 0 0 PRESSAVG: 930200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 930200 0 0 0 0 0 0 0 0 0 TIMING: 930200 CPU: 3678.74, 0.00413334/step Wall: 3678.74, 0.00413334/step, 1.80237 hours remaining, 113.171875 MB of memory in use. ENERGY: 930200 609.3657 1834.8749 1956.0579 105.2733 2.0573 -1055.0146 0.0000 0.0000 2664.3991 6117.0136 294.2903 3452.6144 6150.7347 294.1830 PRESSURE: 930400 0 0 0 0 0 0 0 0 0 GPRESSURE: 930400 0 0 0 0 0 0 0 0 0 PRESSAVG: 930400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 930400 0 0 0 0 0 0 0 0 0 TIMING: 930400 CPU: 3679.53, 0.00394651/step Wall: 3679.53, 0.00394651/step, 1.72068 hours remaining, 113.171875 MB of memory in use. ENERGY: 930400 647.0605 1826.7216 1988.9677 101.9046 3.0465 -1063.8383 0.0000 0.0000 2698.8845 6202.7470 298.0993 3503.8626 6235.2259 295.6260 PRESSURE: 930600 0 0 0 0 0 0 0 0 0 GPRESSURE: 930600 0 0 0 0 0 0 0 0 0 PRESSAVG: 930600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 930600 0 0 0 0 0 0 0 0 0 TIMING: 930600 CPU: 3680.32, 0.00394589/step Wall: 3680.32, 0.00394589/step, 1.72019 hours remaining, 113.171875 MB of memory in use. ENERGY: 930600 667.8372 1876.2819 1985.4719 109.8659 2.6712 -1066.2782 0.0000 0.0000 2623.2991 6199.1490 289.7507 3575.8499 6228.6974 298.3391 PRESSURE: 930800 0 0 0 0 0 0 0 0 0 GPRESSURE: 930800 0 0 0 0 0 0 0 0 0 PRESSAVG: 930800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 930800 0 0 0 0 0 0 0 0 0 TIMING: 930800 CPU: 3681.11, 0.00394511/step Wall: 3681.11, 0.00394511/step, 1.71963 hours remaining, 113.171875 MB of memory in use. ENERGY: 930800 618.7024 1851.8771 1955.5466 104.1338 2.0338 -1090.4023 0.0000 0.0000 2744.8331 6186.7244 303.1745 3441.8913 6223.1478 297.1286 PRESSURE: 931000 0 0 0 0 0 0 0 0 0 GPRESSURE: 931000 0 0 0 0 0 0 0 0 0 PRESSAVG: 931000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 931000 0 0 0 0 0 0 0 0 0 TIMING: 931000 CPU: 3681.9, 0.00394556/step Wall: 3681.9, 0.00394556/step, 1.7196 hours remaining, 113.171875 MB of memory in use. ENERGY: 931000 631.0017 1845.8015 1940.3576 118.3095 3.4741 -1082.2921 0.0000 0.0000 2712.7991 6169.4514 299.6362 3456.6523 6204.5727 298.3094 PRESSURE: 931200 0 0 0 0 0 0 0 0 0 GPRESSURE: 931200 0 0 0 0 0 0 0 0 0 PRESSAVG: 931200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 931200 0 0 0 0 0 0 0 0 0 TIMING: 931200 CPU: 3682.69, 0.00394557/step Wall: 3682.69, 0.00394557/step, 1.71939 hours remaining, 113.171875 MB of memory in use. ENERGY: 931200 623.5407 1830.4574 1982.0393 103.3563 3.8155 -1090.1351 0.0000 0.0000 2695.8390 6148.9132 297.7629 3453.0742 6183.7393 296.1194 PRESSURE: 931400 0 0 0 0 0 0 0 0 0 GPRESSURE: 931400 0 0 0 0 0 0 0 0 0 PRESSAVG: 931400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 931400 0 0 0 0 0 0 0 0 0 TIMING: 931400 CPU: 3683.47, 0.00394619/step Wall: 3683.47, 0.00394619/step, 1.71944 hours remaining, 113.171875 MB of memory in use. ENERGY: 931400 685.9403 1825.4992 1982.3134 116.6122 2.5125 -1060.8254 0.0000 0.0000 2649.4521 6201.5044 292.6394 3552.0523 6232.5188 297.8220 PRESSURE: 931600 0 0 0 0 0 0 0 0 0 GPRESSURE: 931600 0 0 0 0 0 0 0 0 0 PRESSAVG: 931600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 931600 0 0 0 0 0 0 0 0 0 TIMING: 931600 CPU: 3684.26, 0.00394776/step Wall: 3684.26, 0.00394776/step, 1.71991 hours remaining, 113.171875 MB of memory in use. ENERGY: 931600 664.0525 1828.4033 1997.2009 120.5173 4.0031 -1078.9984 0.0000 0.0000 2634.2568 6169.4354 290.9610 3535.1786 6200.7100 297.1094 PRESSURE: 931800 0 0 0 0 0 0 0 0 0 GPRESSURE: 931800 0 0 0 0 0 0 0 0 0 PRESSAVG: 931800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 931800 0 0 0 0 0 0 0 0 0 TIMING: 931800 CPU: 3685.05, 0.00394804/step Wall: 3685.05, 0.00394804/step, 1.71981 hours remaining, 113.171875 MB of memory in use. ENERGY: 931800 639.5790 1842.8573 1997.6925 99.0528 3.5311 -1061.8011 0.0000 0.0000 2733.9995 6254.9111 301.9779 3520.9116 6288.5415 298.2041 PRESSURE: 932000 0 0 0 0 0 0 0 0 0 GPRESSURE: 932000 0 0 0 0 0 0 0 0 0 PRESSAVG: 932000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 932000 0 0 0 0 0 0 0 0 0 TIMING: 932000 CPU: 3685.84, 0.00394747/step Wall: 3685.84, 0.00394747/step, 1.71934 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 932000 658.3968 1883.1084 1993.1514 124.5944 2.9893 -1068.4647 0.0000 0.0000 2638.2904 6232.0659 291.4065 3593.7755 6262.0728 300.7576 PRESSURE: 932200 0 0 0 0 0 0 0 0 0 GPRESSURE: 932200 0 0 0 0 0 0 0 0 0 PRESSAVG: 932200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 932200 0 0 0 0 0 0 0 0 0 TIMING: 932200 CPU: 3686.63, 0.0039479/step Wall: 3686.63, 0.0039479/step, 1.71931 hours remaining, 113.171875 MB of memory in use. ENERGY: 932200 653.9016 1805.9454 2009.2474 112.9201 3.1400 -1048.1883 0.0000 0.0000 2655.9643 6192.9306 293.3587 3536.9663 6224.0442 297.1010 LDB: ============= START OF LOAD BALANCING ============== 3689.59 LDB: ============== END OF LOAD BALANCING =============== 3689.59 LDB: =============== DONE WITH MIGRATION ================ 3689.59 LDB: ============= START OF LOAD BALANCING ============== 3689.99 LDB: ============== END OF LOAD BALANCING =============== 3689.99 LDB: =============== DONE WITH MIGRATION ================ 3689.99 PRESSURE: 932400 0 0 0 0 0 0 0 0 0 GPRESSURE: 932400 0 0 0 0 0 0 0 0 0 PRESSAVG: 932400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 932400 0 0 0 0 0 0 0 0 0 TIMING: 932400 CPU: 3687.42, 0.00395229/step Wall: 3687.42, 0.00395229/step, 1.721 hours remaining, 113.171875 MB of memory in use. ENERGY: 932400 638.7588 1827.9002 1969.2306 108.9816 4.9020 -1046.3245 0.0000 0.0000 2720.0272 6223.4759 300.4346 3503.4487 6253.7804 298.7083 PRESSURE: 932600 0 0 0 0 0 0 0 0 0 GPRESSURE: 932600 0 0 0 0 0 0 0 0 0 PRESSAVG: 932600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 932600 0 0 0 0 0 0 0 0 0 TIMING: 932600 CPU: 3688.21, 0.00394756/step Wall: 3688.21, 0.00394756/step, 1.71873 hours remaining, 113.171875 MB of memory in use. ENERGY: 932600 620.4416 1864.0833 1973.3019 113.3251 2.8854 -1041.9740 0.0000 0.0000 2626.2286 6158.2919 290.0743 3532.0633 6189.3105 297.3157 PRESSURE: 932800 0 0 0 0 0 0 0 0 0 GPRESSURE: 932800 0 0 0 0 0 0 0 0 0 PRESSAVG: 932800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 932800 0 0 0 0 0 0 0 0 0 TIMING: 932800 CPU: 3689, 0.00394786/step Wall: 3689, 0.00394786/step, 1.71864 hours remaining, 113.171875 MB of memory in use. ENERGY: 932800 630.3244 1832.3589 1951.7020 118.8556 2.1393 -1083.2942 0.0000 0.0000 2749.0934 6201.1793 303.6450 3452.0859 6235.9144 295.3469 PRESSURE: 933000 0 0 0 0 0 0 0 0 0 GPRESSURE: 933000 0 0 0 0 0 0 0 0 0 PRESSAVG: 933000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 933000 0 0 0 0 0 0 0 0 0 TIMING: 933000 CPU: 3689.79, 0.00394778/step Wall: 3689.79, 0.00394778/step, 1.71838 hours remaining, 113.171875 MB of memory in use. ENERGY: 933000 606.1529 1843.0337 1988.9348 105.1854 3.6302 -1067.6452 0.0000 0.0000 2700.8848 6180.1767 298.3203 3479.2919 6213.9777 297.1683 PRESSURE: 933200 0 0 0 0 0 0 0 0 0 GPRESSURE: 933200 0 0 0 0 0 0 0 0 0 PRESSAVG: 933200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 933200 0 0 0 0 0 0 0 0 0 TIMING: 933200 CPU: 3690.58, 0.00394696/step Wall: 3690.58, 0.00394696/step, 1.7178 hours remaining, 113.171875 MB of memory in use. ENERGY: 933200 642.8119 1857.5694 1972.8027 99.3557 3.4418 -1037.7935 0.0000 0.0000 2696.8099 6234.9980 297.8702 3538.1881 6268.4893 298.1418 PRESSURE: 933400 0 0 0 0 0 0 0 0 0 GPRESSURE: 933400 0 0 0 0 0 0 0 0 0 PRESSAVG: 933400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 933400 0 0 0 0 0 0 0 0 0 TIMING: 933400 CPU: 3691.37, 0.00394803/step Wall: 3691.37, 0.00394803/step, 1.71805 hours remaining, 113.171875 MB of memory in use. ENERGY: 933400 656.3852 1824.7050 1958.4310 112.3629 3.9434 -1069.3416 0.0000 0.0000 2724.9341 6211.4201 300.9766 3486.4860 6242.9310 298.6704 PRESSURE: 933600 0 0 0 0 0 0 0 0 0 GPRESSURE: 933600 0 0 0 0 0 0 0 0 0 PRESSAVG: 933600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 933600 0 0 0 0 0 0 0 0 0 TIMING: 933600 CPU: 3692.16, 0.00394719/step Wall: 3692.16, 0.00394719/step, 1.71747 hours remaining, 113.171875 MB of memory in use. ENERGY: 933600 635.1068 1863.1510 1990.7857 119.5011 3.0688 -1083.2957 0.0000 0.0000 2738.7589 6267.0766 302.5036 3528.3176 6300.6205 301.3314 PRESSURE: 933800 0 0 0 0 0 0 0 0 0 GPRESSURE: 933800 0 0 0 0 0 0 0 0 0 PRESSAVG: 933800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 933800 0 0 0 0 0 0 0 0 0 TIMING: 933800 CPU: 3692.95, 0.00394666/step Wall: 3692.95, 0.00394666/step, 1.71702 hours remaining, 113.171875 MB of memory in use. ENERGY: 933800 629.0324 1833.4911 1997.2125 91.6814 4.2147 -1058.2301 0.0000 0.0000 2773.7069 6271.1089 306.3637 3497.4020 6304.8612 301.2456 PRESSURE: 934000 0 0 0 0 0 0 0 0 0 GPRESSURE: 934000 0 0 0 0 0 0 0 0 0 PRESSAVG: 934000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 934000 0 0 0 0 0 0 0 0 0 TIMING: 934000 CPU: 3693.74, 0.00394678/step Wall: 3693.74, 0.00394678/step, 1.71685 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 934000 639.9498 1812.8243 1986.9260 107.3841 2.6937 -1064.2060 0.0000 0.0000 2732.4285 6218.0004 301.8043 3485.5719 6251.4687 300.7649 PRESSURE: 934200 0 0 0 0 0 0 0 0 0 GPRESSURE: 934200 0 0 0 0 0 0 0 0 0 PRESSAVG: 934200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 934200 0 0 0 0 0 0 0 0 0 TIMING: 934200 CPU: 3694.53, 0.00394729/step Wall: 3694.53, 0.00394729/step, 1.71685 hours remaining, 113.171875 MB of memory in use. ENERGY: 934200 641.8074 1837.7758 1961.8356 106.7424 3.7595 -1087.8856 0.0000 0.0000 2727.4973 6191.5325 301.2597 3464.0352 6223.6933 297.5665 PRESSURE: 934400 0 0 0 0 0 0 0 0 0 GPRESSURE: 934400 0 0 0 0 0 0 0 0 0 PRESSAVG: 934400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 934400 0 0 0 0 0 0 0 0 0 TIMING: 934400 CPU: 3695.32, 0.00394698/step Wall: 3695.32, 0.00394698/step, 1.7165 hours remaining, 113.171875 MB of memory in use. ENERGY: 934400 650.1696 1831.4073 2001.1283 105.0423 1.5753 -1072.4303 0.0000 0.0000 2710.7574 6227.6499 299.4107 3516.8925 6260.8090 298.6806 PRESSURE: 934600 0 0 0 0 0 0 0 0 0 GPRESSURE: 934600 0 0 0 0 0 0 0 0 0 PRESSAVG: 934600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 934600 0 0 0 0 0 0 0 0 0 TIMING: 934600 CPU: 3696.11, 0.00394786/step Wall: 3696.11, 0.00394786/step, 1.71666 hours remaining, 113.171875 MB of memory in use. ENERGY: 934600 679.0577 1818.5006 1974.7942 100.7527 2.8285 -1084.1606 0.0000 0.0000 2697.5451 6189.3181 297.9514 3491.7731 6220.7284 298.9726 PRESSURE: 934800 0 0 0 0 0 0 0 0 0 GPRESSURE: 934800 0 0 0 0 0 0 0 0 0 PRESSAVG: 934800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 934800 0 0 0 0 0 0 0 0 0 TIMING: 934800 CPU: 3696.9, 0.00394588/step Wall: 3696.9, 0.00394588/step, 1.71558 hours remaining, 113.171875 MB of memory in use. ENERGY: 934800 638.0877 1837.6011 1989.7196 93.1442 3.7983 -1037.5349 0.0000 0.0000 2678.6130 6203.4290 295.8603 3524.8159 6234.1614 297.0721 PRESSURE: 935000 0 0 0 0 0 0 0 0 0 GPRESSURE: 935000 0 0 0 0 0 0 0 0 0 PRESSAVG: 935000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 935000 0 0 0 0 0 0 0 0 0 TIMING: 935000 CPU: 3697.69, 0.00394704/step Wall: 3697.69, 0.00394704/step, 1.71586 hours remaining, 113.171875 MB of memory in use. ENERGY: 935000 647.2094 1822.0756 1989.7854 107.9556 3.3935 -1078.7779 0.0000 0.0000 2663.2583 6154.8999 294.1643 3491.6416 6187.9019 295.2616 PRESSURE: 935200 0 0 0 0 0 0 0 0 0 GPRESSURE: 935200 0 0 0 0 0 0 0 0 0 PRESSAVG: 935200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 935200 0 0 0 0 0 0 0 0 0 TIMING: 935200 CPU: 3698.48, 0.00394682/step Wall: 3698.48, 0.00394682/step, 1.71555 hours remaining, 113.171875 MB of memory in use. ENERGY: 935200 660.9060 1786.9189 1984.6240 100.4206 3.5252 -1102.7160 0.0000 0.0000 2723.2483 6156.9271 300.7904 3433.6788 6190.8145 296.3235 PRESSURE: 935400 0 0 0 0 0 0 0 0 0 GPRESSURE: 935400 0 0 0 0 0 0 0 0 0 PRESSAVG: 935400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 935400 0 0 0 0 0 0 0 0 0 TIMING: 935400 CPU: 3699.27, 0.00396472/step Wall: 3699.27, 0.00396472/step, 1.72311 hours remaining, 113.171875 MB of memory in use. ENERGY: 935400 648.8064 1783.9122 1969.1963 105.4998 5.1465 -1036.5858 0.0000 0.0000 2713.5184 6189.4936 299.7157 3475.9752 6223.5379 297.1150 PRESSURE: 935600 0 0 0 0 0 0 0 0 0 GPRESSURE: 935600 0 0 0 0 0 0 0 0 0 PRESSAVG: 935600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 935600 0 0 0 0 0 0 0 0 0 TIMING: 935600 CPU: 3700.06, 0.00394723/step Wall: 3700.06, 0.00394723/step, 1.71529 hours remaining, 113.171875 MB of memory in use. ENERGY: 935600 667.6353 1848.8400 1962.4566 108.7031 2.9813 -1040.5868 0.0000 0.0000 2700.1954 6250.2247 298.2441 3550.0294 6281.6627 298.2523 PRESSURE: 935800 0 0 0 0 0 0 0 0 0 GPRESSURE: 935800 0 0 0 0 0 0 0 0 0 PRESSAVG: 935800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 935800 0 0 0 0 0 0 0 0 0 TIMING: 935800 CPU: 3700.85, 0.00394561/step Wall: 3700.85, 0.00394561/step, 1.71437 hours remaining, 113.171875 MB of memory in use. ENERGY: 935800 681.1100 1792.5964 1955.6720 120.1401 4.1823 -1020.4334 0.0000 0.0000 2797.9603 6331.2277 309.0425 3533.2674 6367.3223 303.4175 PRESSURE: 936000 0 0 0 0 0 0 0 0 0 GPRESSURE: 936000 0 0 0 0 0 0 0 0 0 PRESSAVG: 936000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 936000 0 0 0 0 0 0 0 0 0 TIMING: 936000 CPU: 3701.64, 0.00394486/step Wall: 3701.64, 0.00394486/step, 1.71382 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 936000 641.9507 1812.6801 1980.8541 125.2234 3.2138 -1010.3324 0.0000 0.0000 2690.9477 6244.5373 297.2227 3553.5896 6273.9368 301.7300 PRESSURE: 936200 0 0 0 0 0 0 0 0 0 GPRESSURE: 936200 0 0 0 0 0 0 0 0 0 PRESSAVG: 936200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 936200 0 0 0 0 0 0 0 0 0 TIMING: 936200 CPU: 3702.43, 0.00395665/step Wall: 3702.43, 0.00395665/step, 1.71872 hours remaining, 113.171875 MB of memory in use. ENERGY: 936200 687.7909 1828.2471 1983.9940 115.9222 2.5984 -1040.3110 0.0000 0.0000 2676.2904 6254.5320 295.6037 3578.2416 6285.5991 298.4551 LDB: ============= START OF LOAD BALANCING ============== 3705.39 LDB: ============== END OF LOAD BALANCING =============== 3705.39 LDB: =============== DONE WITH MIGRATION ================ 3705.39 LDB: ============= START OF LOAD BALANCING ============== 3705.78 LDB: ============== END OF LOAD BALANCING =============== 3705.78 LDB: =============== DONE WITH MIGRATION ================ 3705.78 PRESSURE: 936400 0 0 0 0 0 0 0 0 0 GPRESSURE: 936400 0 0 0 0 0 0 0 0 0 PRESSAVG: 936400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 936400 0 0 0 0 0 0 0 0 0 TIMING: 936400 CPU: 3703.22, 0.00395594/step Wall: 3703.22, 0.00395594/step, 1.71819 hours remaining, 113.171875 MB of memory in use. ENERGY: 936400 643.9878 1877.4093 1978.3687 117.4838 3.2450 -1064.3349 0.0000 0.0000 2678.3915 6234.5512 295.8358 3556.1597 6264.9170 299.9547 PRESSURE: 936600 0 0 0 0 0 0 0 0 0 GPRESSURE: 936600 0 0 0 0 0 0 0 0 0 PRESSAVG: 936600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 936600 0 0 0 0 0 0 0 0 0 TIMING: 936600 CPU: 3704.01, 0.00394927/step Wall: 3704.01, 0.00394927/step, 1.71508 hours remaining, 113.171875 MB of memory in use. ENERGY: 936600 707.2127 1864.4716 1986.2949 108.2318 1.7888 -1067.4443 0.0000 0.0000 2673.1846 6273.7401 295.2607 3600.5555 6303.9623 299.2354 PRESSURE: 936800 0 0 0 0 0 0 0 0 0 GPRESSURE: 936800 0 0 0 0 0 0 0 0 0 PRESSAVG: 936800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 936800 0 0 0 0 0 0 0 0 0 TIMING: 936800 CPU: 3704.8, 0.00394565/step Wall: 3704.8, 0.00394565/step, 1.71329 hours remaining, 113.171875 MB of memory in use. ENERGY: 936800 677.8233 1840.4195 2004.3422 106.1025 2.5081 -1062.7779 0.0000 0.0000 2681.8778 6250.2955 296.2209 3568.4177 6282.6466 298.3870 PRESSURE: 937000 0 0 0 0 0 0 0 0 0 GPRESSURE: 937000 0 0 0 0 0 0 0 0 0 PRESSAVG: 937000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 937000 0 0 0 0 0 0 0 0 0 TIMING: 937000 CPU: 3705.59, 0.00394675/step Wall: 3705.59, 0.00394675/step, 1.71355 hours remaining, 113.171875 MB of memory in use. ENERGY: 937000 656.0639 1887.9352 1981.3648 91.9649 2.7781 -1076.6369 0.0000 0.0000 2715.8345 6259.3044 299.9715 3543.4700 6289.1621 300.6051 PRESSURE: 937200 0 0 0 0 0 0 0 0 0 GPRESSURE: 937200 0 0 0 0 0 0 0 0 0 PRESSAVG: 937200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 937200 0 0 0 0 0 0 0 0 0 TIMING: 937200 CPU: 3706.38, 0.00394706/step Wall: 3706.38, 0.00394706/step, 1.71346 hours remaining, 113.171875 MB of memory in use. ENERGY: 937200 669.2193 1845.0041 1976.7739 99.6134 3.1418 -1032.0464 0.0000 0.0000 2707.7957 6269.5019 299.0836 3561.7062 6301.0448 301.3440 PRESSURE: 937400 0 0 0 0 0 0 0 0 0 GPRESSURE: 937400 0 0 0 0 0 0 0 0 0 PRESSAVG: 937400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 937400 0 0 0 0 0 0 0 0 0 TIMING: 937400 CPU: 3707.17, 0.00394714/step Wall: 3707.17, 0.00394714/step, 1.71328 hours remaining, 113.171875 MB of memory in use. ENERGY: 937400 633.0515 1832.0886 1973.6254 104.0447 2.7457 -996.9019 0.0000 0.0000 2733.9084 6282.5624 301.9678 3548.6540 6314.2662 299.5459 PRESSURE: 937600 0 0 0 0 0 0 0 0 0 GPRESSURE: 937600 0 0 0 0 0 0 0 0 0 PRESSAVG: 937600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 937600 0 0 0 0 0 0 0 0 0 TIMING: 937600 CPU: 3707.95, 0.00394565/step Wall: 3707.95, 0.00394565/step, 1.71241 hours remaining, 113.171875 MB of memory in use. ENERGY: 937600 665.5995 1870.5536 1984.7156 97.0713 3.1709 -1036.5801 0.0000 0.0000 2710.7804 6295.3111 299.4132 3584.5308 6326.7874 301.9728 PRESSURE: 937800 0 0 0 0 0 0 0 0 0 GPRESSURE: 937800 0 0 0 0 0 0 0 0 0 PRESSAVG: 937800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 937800 0 0 0 0 0 0 0 0 0 TIMING: 937800 CPU: 3708.74, 0.00394489/step Wall: 3708.74, 0.00394489/step, 1.71186 hours remaining, 113.171875 MB of memory in use. ENERGY: 937800 699.9798 1796.3281 1979.6346 128.7061 2.0428 -1066.2534 0.0000 0.0000 2767.0093 6307.4473 305.6239 3540.4380 6339.9291 303.9110 PRESSURE: 938000 0 0 0 0 0 0 0 0 0 GPRESSURE: 938000 0 0 0 0 0 0 0 0 0 PRESSAVG: 938000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 938000 0 0 0 0 0 0 0 0 0 TIMING: 938000 CPU: 3709.53, 0.00394547/step Wall: 3709.53, 0.00394547/step, 1.71189 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 938000 641.8559 1842.5334 1976.8502 103.8393 3.4302 -1062.9998 0.0000 0.0000 2770.3260 6275.8351 305.9902 3505.5091 6308.9824 301.9654 PRESSURE: 938200 0 0 0 0 0 0 0 0 0 GPRESSURE: 938200 0 0 0 0 0 0 0 0 0 PRESSAVG: 938200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 938200 0 0 0 0 0 0 0 0 0 TIMING: 938200 CPU: 3710.32, 0.00394639/step Wall: 3710.32, 0.00394639/step, 1.71208 hours remaining, 113.171875 MB of memory in use. ENERGY: 938200 655.0713 1869.0452 1969.4624 113.9725 2.8938 -1078.6439 0.0000 0.0000 2696.9362 6228.7375 297.8841 3531.8014 6261.6606 301.3818 PRESSURE: 938400 0 0 0 0 0 0 0 0 0 GPRESSURE: 938400 0 0 0 0 0 0 0 0 0 PRESSAVG: 938400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 938400 0 0 0 0 0 0 0 0 0 TIMING: 938400 CPU: 3711.11, 0.00394825/step Wall: 3711.11, 0.00394825/step, 1.71267 hours remaining, 113.171875 MB of memory in use. ENERGY: 938400 624.9774 1825.2306 1948.0083 108.0445 3.3641 -1041.9105 0.0000 0.0000 2767.2525 6234.9670 305.6507 3467.7145 6270.9590 299.8022 PRESSURE: 938600 0 0 0 0 0 0 0 0 0 GPRESSURE: 938600 0 0 0 0 0 0 0 0 0 PRESSAVG: 938600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 938600 0 0 0 0 0 0 0 0 0 TIMING: 938600 CPU: 3711.9, 0.00394523/step Wall: 3711.9, 0.00394523/step, 1.71113 hours remaining, 113.171875 MB of memory in use. ENERGY: 938600 640.9510 1838.4532 1998.0287 97.4327 3.1899 -1052.1853 0.0000 0.0000 2735.0580 6260.9282 302.0948 3525.8701 6294.5372 300.9720 PRESSURE: 938800 0 0 0 0 0 0 0 0 0 GPRESSURE: 938800 0 0 0 0 0 0 0 0 0 PRESSAVG: 938800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 938800 0 0 0 0 0 0 0 0 0 TIMING: 938800 CPU: 3712.69, 0.00394693/step Wall: 3712.69, 0.00394692/step, 1.71165 hours remaining, 113.171875 MB of memory in use. ENERGY: 938800 655.4415 1894.2762 2013.4042 111.8836 2.7321 -1071.1384 0.0000 0.0000 2728.8022 6335.4014 301.4038 3606.5992 6366.9585 303.2400 PRESSURE: 939000 0 0 0 0 0 0 0 0 0 GPRESSURE: 939000 0 0 0 0 0 0 0 0 0 PRESSAVG: 939000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 939000 0 0 0 0 0 0 0 0 0 TIMING: 939000 CPU: 3713.48, 0.0039488/step Wall: 3713.48, 0.0039488/step, 1.71224 hours remaining, 113.171875 MB of memory in use. ENERGY: 939000 649.2389 1836.5418 2003.3090 109.5411 2.6142 -1053.9094 0.0000 0.0000 2768.1345 6315.4702 305.7482 3547.3356 6349.8635 303.8545 PRESSURE: 939200 0 0 0 0 0 0 0 0 0 GPRESSURE: 939200 0 0 0 0 0 0 0 0 0 PRESSAVG: 939200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 939200 0 0 0 0 0 0 0 0 0 TIMING: 939200 CPU: 3714.27, 0.0039483/step Wall: 3714.27, 0.0039483/step, 1.71181 hours remaining, 113.171875 MB of memory in use. ENERGY: 939200 657.7274 1841.1553 2000.0102 114.6386 1.8967 -1043.8430 0.0000 0.0000 2750.3484 6321.9337 303.7836 3571.5853 6358.8820 303.8974 PRESSURE: 939400 0 0 0 0 0 0 0 0 0 GPRESSURE: 939400 0 0 0 0 0 0 0 0 0 PRESSAVG: 939400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 939400 0 0 0 0 0 0 0 0 0 TIMING: 939400 CPU: 3715.06, 0.00394932/step Wall: 3715.06, 0.00394932/step, 1.71203 hours remaining, 113.171875 MB of memory in use. ENERGY: 939400 638.5930 1901.2745 1989.0791 107.3123 1.3805 -1088.2569 0.0000 0.0000 2748.6030 6297.9856 303.5909 3549.3825 6332.2096 305.4585 PRESSURE: 939600 0 0 0 0 0 0 0 0 0 GPRESSURE: 939600 0 0 0 0 0 0 0 0 0 PRESSAVG: 939600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 939600 0 0 0 0 0 0 0 0 0 TIMING: 939600 CPU: 3715.85, 0.00394838/step Wall: 3715.85, 0.00394838/step, 1.71141 hours remaining, 113.171875 MB of memory in use. ENERGY: 939600 667.0229 1838.8136 1949.9616 113.7837 1.9292 -1078.3868 0.0000 0.0000 2739.8570 6232.9811 302.6248 3493.1241 6268.1096 302.4348 PRESSURE: 939800 0 0 0 0 0 0 0 0 0 GPRESSURE: 939800 0 0 0 0 0 0 0 0 0 PRESSAVG: 939800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 939800 0 0 0 0 0 0 0 0 0 TIMING: 939800 CPU: 3716.64, 0.0039492/step Wall: 3716.64, 0.0039492/step, 1.71154 hours remaining, 113.171875 MB of memory in use. ENERGY: 939800 644.2094 1832.9042 1993.7563 108.0153 1.6867 -1038.7694 0.0000 0.0000 2718.5901 6260.3926 300.2759 3541.8025 6295.9887 299.8154 PRESSURE: 940000 0 0 0 0 0 0 0 0 0 GPRESSURE: 940000 0 0 0 0 0 0 0 0 0 PRESSAVG: 940000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 940000 0 0 0 0 0 0 0 0 0 TIMING: 940000 CPU: 3717.43, 0.00395226/step Wall: 3717.43, 0.00395226/step, 1.71264 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 940000 651.0874 1834.9863 1975.2768 111.9222 1.7083 -1081.9246 0.0000 0.0000 2771.1125 6264.1690 306.0771 3493.0565 6297.9989 302.2236 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 940000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 940000 WRITING COORDINATES TO RESTART FILE AT STEP 940000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 940000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 940200 0 0 0 0 0 0 0 0 0 GPRESSURE: 940200 0 0 0 0 0 0 0 0 0 PRESSAVG: 940200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 940200 0 0 0 0 0 0 0 0 0 TIMING: 940200 CPU: 3718.25, 0.00411681/step Wall: 3718.25, 0.00411681/step, 1.78372 hours remaining, 113.171875 MB of memory in use. ENERGY: 940200 673.1805 1828.3392 1975.1231 96.9772 1.6074 -1062.1187 0.0000 0.0000 2751.6418 6264.7506 303.9265 3513.1088 6296.9338 300.9911 LDB: ============= START OF LOAD BALANCING ============== 3721.21 LDB: ============== END OF LOAD BALANCING =============== 3721.21 LDB: =============== DONE WITH MIGRATION ================ 3721.21 LDB: ============= START OF LOAD BALANCING ============== 3721.61 LDB: ============== END OF LOAD BALANCING =============== 3721.61 LDB: =============== DONE WITH MIGRATION ================ 3721.61 PRESSURE: 940400 0 0 0 0 0 0 0 0 0 GPRESSURE: 940400 0 0 0 0 0 0 0 0 0 PRESSAVG: 940400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 940400 0 0 0 0 0 0 0 0 0 TIMING: 940400 CPU: 3719.04, 0.00395572/step Wall: 3719.04, 0.00395572/step, 1.71371 hours remaining, 113.171875 MB of memory in use. ENERGY: 940400 674.5559 1824.6735 1992.7382 102.0387 2.3815 -1053.4133 0.0000 0.0000 2711.9044 6254.8790 299.5374 3542.9745 6288.3877 301.2628 PRESSURE: 940600 0 0 0 0 0 0 0 0 0 GPRESSURE: 940600 0 0 0 0 0 0 0 0 0 PRESSAVG: 940600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 940600 0 0 0 0 0 0 0 0 0 TIMING: 940600 CPU: 3719.83, 0.00394676/step Wall: 3719.83, 0.00394676/step, 1.7096 hours remaining, 113.171875 MB of memory in use. ENERGY: 940600 658.1654 1805.4611 1961.5703 112.3723 3.6663 -1037.7889 0.0000 0.0000 2723.6097 6227.0563 300.8303 3503.4465 6259.7143 299.3550 PRESSURE: 940800 0 0 0 0 0 0 0 0 0 GPRESSURE: 940800 0 0 0 0 0 0 0 0 0 PRESSAVG: 940800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 940800 0 0 0 0 0 0 0 0 0 TIMING: 940800 CPU: 3720.62, 0.00394738/step Wall: 3720.62, 0.00394738/step, 1.70965 hours remaining, 113.171875 MB of memory in use. ENERGY: 940800 641.9707 1830.8883 1960.9831 125.7884 2.6891 -1087.6264 0.0000 0.0000 2758.6698 6233.3631 304.7028 3474.6933 6270.5027 298.5721 PRESSURE: 941000 0 0 0 0 0 0 0 0 0 GPRESSURE: 941000 0 0 0 0 0 0 0 0 0 PRESSAVG: 941000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 941000 0 0 0 0 0 0 0 0 0 TIMING: 941000 CPU: 3721.41, 0.00394904/step Wall: 3721.41, 0.00394904/step, 1.71015 hours remaining, 113.171875 MB of memory in use. ENERGY: 941000 689.4347 1835.0920 1998.0406 104.3822 2.3110 -1086.0545 0.0000 0.0000 2675.9997 6219.2057 295.5716 3543.2059 6249.1003 299.0423 PRESSURE: 941200 0 0 0 0 0 0 0 0 0 GPRESSURE: 941200 0 0 0 0 0 0 0 0 0 PRESSAVG: 941200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 941200 0 0 0 0 0 0 0 0 0 TIMING: 941200 CPU: 3722.2, 0.00394754/step Wall: 3722.2, 0.00394754/step, 1.70929 hours remaining, 113.171875 MB of memory in use. ENERGY: 941200 638.5910 1821.0490 1980.3805 99.2412 2.0725 -1042.5936 0.0000 0.0000 2762.8155 6261.5562 305.1607 3498.7407 6295.6253 299.1106 PRESSURE: 941400 0 0 0 0 0 0 0 0 0 GPRESSURE: 941400 0 0 0 0 0 0 0 0 0 PRESSAVG: 941400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 941400 0 0 0 0 0 0 0 0 0 TIMING: 941400 CPU: 3722.99, 0.00394841/step Wall: 3722.99, 0.00394841/step, 1.70944 hours remaining, 113.171875 MB of memory in use. ENERGY: 941400 662.6646 1881.2324 2019.8122 109.9378 2.0537 -1059.8047 0.0000 0.0000 2709.5068 6325.4029 299.2726 3615.8960 6356.2393 302.5786 PRESSURE: 941600 0 0 0 0 0 0 0 0 0 GPRESSURE: 941600 0 0 0 0 0 0 0 0 0 PRESSAVG: 941600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 941600 0 0 0 0 0 0 0 0 0 TIMING: 941600 CPU: 3723.78, 0.00394699/step Wall: 3723.78, 0.00394699/step, 1.70861 hours remaining, 113.171875 MB of memory in use. ENERGY: 941600 666.3054 1856.3290 1974.4434 108.6965 2.1349 -1097.9541 0.0000 0.0000 2768.5882 6278.5432 305.7983 3509.9550 6314.8138 303.2012 PRESSURE: 941800 0 0 0 0 0 0 0 0 0 GPRESSURE: 941800 0 0 0 0 0 0 0 0 0 PRESSAVG: 941800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 941800 0 0 0 0 0 0 0 0 0 TIMING: 941800 CPU: 3724.57, 0.00394782/step Wall: 3724.57, 0.00394782/step, 1.70875 hours remaining, 113.171875 MB of memory in use. ENERGY: 941800 635.2516 1814.8103 2014.4482 108.4133 1.7802 -1051.2599 0.0000 0.0000 2739.4953 6262.9391 302.5849 3523.4437 6296.1203 303.0713 PRESSURE: 942000 0 0 0 0 0 0 0 0 0 GPRESSURE: 942000 0 0 0 0 0 0 0 0 0 PRESSAVG: 942000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 942000 0 0 0 0 0 0 0 0 0 TIMING: 942000 CPU: 3725.36, 0.00394837/step Wall: 3725.36, 0.00394837/step, 1.70876 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 942000 620.9398 1886.8573 1982.5741 122.3600 2.0124 -1046.7125 0.0000 0.0000 2735.3578 6303.3888 302.1279 3568.0311 6337.8649 302.5536 PRESSURE: 942200 0 0 0 0 0 0 0 0 0 GPRESSURE: 942200 0 0 0 0 0 0 0 0 0 PRESSAVG: 942200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 942200 0 0 0 0 0 0 0 0 0 TIMING: 942200 CPU: 3726.15, 0.00394715/step Wall: 3726.15, 0.00394715/step, 1.70802 hours remaining, 113.171875 MB of memory in use. ENERGY: 942200 656.7221 1845.4430 1974.1656 105.8561 2.2299 -1028.0374 0.0000 0.0000 2706.5662 6262.9455 298.9478 3556.3793 6293.9076 300.0880 PRESSURE: 942400 0 0 0 0 0 0 0 0 0 GPRESSURE: 942400 0 0 0 0 0 0 0 0 0 PRESSAVG: 942400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 942400 0 0 0 0 0 0 0 0 0 TIMING: 942400 CPU: 3726.94, 0.00394652/step Wall: 3726.94, 0.00394652/step, 1.70753 hours remaining, 113.171875 MB of memory in use. ENERGY: 942400 642.8865 1822.9996 1967.5640 101.6156 2.0269 -1056.7542 0.0000 0.0000 2774.2810 6254.6195 306.4271 3480.3384 6289.4893 300.2145 PRESSURE: 942600 0 0 0 0 0 0 0 0 0 GPRESSURE: 942600 0 0 0 0 0 0 0 0 0 PRESSAVG: 942600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 942600 0 0 0 0 0 0 0 0 0 TIMING: 942600 CPU: 3727.73, 0.00394953/step Wall: 3727.73, 0.00394953/step, 1.70861 hours remaining, 113.171875 MB of memory in use. ENERGY: 942600 698.6722 1824.0772 1951.1618 109.9460 2.6197 -1083.6799 0.0000 0.0000 2665.8801 6168.6771 294.4539 3502.7971 6200.7927 298.3459 PRESSURE: 942800 0 0 0 0 0 0 0 0 0 GPRESSURE: 942800 0 0 0 0 0 0 0 0 0 PRESSAVG: 942800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 942800 0 0 0 0 0 0 0 0 0 TIMING: 942800 CPU: 3728.52, 0.00394934/step Wall: 3728.52, 0.00394934/step, 1.70831 hours remaining, 113.171875 MB of memory in use. ENERGY: 942800 643.5222 1787.8633 1959.6409 116.1753 2.9885 -1052.4874 0.0000 0.0000 2683.3368 6141.0395 296.3820 3457.7027 6176.9403 295.1507 PRESSURE: 943000 0 0 0 0 0 0 0 0 0 GPRESSURE: 943000 0 0 0 0 0 0 0 0 0 PRESSAVG: 943000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 943000 0 0 0 0 0 0 0 0 0 TIMING: 943000 CPU: 3729.31, 0.00394915/step Wall: 3729.31, 0.00394915/step, 1.70801 hours remaining, 113.171875 MB of memory in use. ENERGY: 943000 625.2917 1749.9828 1981.5107 114.2021 2.4196 -1032.6085 0.0000 0.0000 2698.5437 6139.3421 298.0617 3440.7984 6173.7981 293.9993 PRESSURE: 943200 0 0 0 0 0 0 0 0 0 GPRESSURE: 943200 0 0 0 0 0 0 0 0 0 PRESSAVG: 943200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 943200 0 0 0 0 0 0 0 0 0 TIMING: 943200 CPU: 3730.1, 0.00395315/step Wall: 3730.1, 0.00395315/step, 1.70952 hours remaining, 113.171875 MB of memory in use. ENERGY: 943200 681.9230 1844.0752 1972.2243 118.9381 2.1910 -1072.1824 0.0000 0.0000 2641.8388 6189.0080 291.7985 3547.1691 6221.1036 296.0377 PRESSURE: 943400 0 0 0 0 0 0 0 0 0 GPRESSURE: 943400 0 0 0 0 0 0 0 0 0 PRESSAVG: 943400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 943400 0 0 0 0 0 0 0 0 0 TIMING: 943400 CPU: 3730.89, 0.0039473/step Wall: 3730.89, 0.0039473/step, 1.70677 hours remaining, 113.171875 MB of memory in use. ENERGY: 943400 653.1682 1855.9091 1952.0197 113.6142 3.1335 -1061.8273 0.0000 0.0000 2686.3109 6202.3282 296.7105 3516.0174 6233.3798 297.3708 PRESSURE: 943600 0 0 0 0 0 0 0 0 0 GPRESSURE: 943600 0 0 0 0 0 0 0 0 0 PRESSAVG: 943600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 943600 0 0 0 0 0 0 0 0 0 TIMING: 943600 CPU: 3731.68, 0.00394968/step Wall: 3731.68, 0.00394968/step, 1.70758 hours remaining, 113.171875 MB of memory in use. ENERGY: 943600 636.0857 1855.7924 1946.0959 108.9826 2.8001 -1080.1677 0.0000 0.0000 2696.7725 6166.3616 297.8660 3469.5891 6197.7318 297.9748 PRESSURE: 943800 0 0 0 0 0 0 0 0 0 GPRESSURE: 943800 0 0 0 0 0 0 0 0 0 PRESSAVG: 943800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 943800 0 0 0 0 0 0 0 0 0 TIMING: 943800 CPU: 3732.47, 0.00394796/step Wall: 3732.47, 0.00394796/step, 1.70662 hours remaining, 113.171875 MB of memory in use. ENERGY: 943800 614.6616 1811.0888 1966.2878 114.1388 2.0786 -1045.6712 0.0000 0.0000 2699.6962 6162.2806 298.1890 3462.5844 6197.7100 296.5437 PRESSURE: 944000 0 0 0 0 0 0 0 0 0 GPRESSURE: 944000 0 0 0 0 0 0 0 0 0 PRESSAVG: 944000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 944000 0 0 0 0 0 0 0 0 0 TIMING: 944000 CPU: 3733.26, 0.00394928/step Wall: 3733.26, 0.00394928/step, 1.70697 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 944000 620.2332 1823.0223 1991.8458 113.7786 1.6422 -1041.2546 0.0000 0.0000 2726.7426 6236.0101 301.1763 3509.2675 6268.3858 297.1257 PRESSURE: 944200 0 0 0 0 0 0 0 0 0 GPRESSURE: 944200 0 0 0 0 0 0 0 0 0 PRESSAVG: 944200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 944200 0 0 0 0 0 0 0 0 0 TIMING: 944200 CPU: 3734.05, 0.00394744/step Wall: 3734.05, 0.00394744/step, 1.70595 hours remaining, 113.171875 MB of memory in use. ENERGY: 944200 651.8521 1873.7976 1972.4418 110.7892 2.5289 -1037.4018 0.0000 0.0000 2647.1236 6221.1315 292.3822 3574.0079 6252.6352 299.2283 LDB: ============= START OF LOAD BALANCING ============== 3737.01 LDB: ============== END OF LOAD BALANCING =============== 3737.01 LDB: =============== DONE WITH MIGRATION ================ 3737.01 LDB: ============= START OF LOAD BALANCING ============== 3737.4 LDB: ============== END OF LOAD BALANCING =============== 3737.4 LDB: =============== DONE WITH MIGRATION ================ 3737.4 PRESSURE: 944400 0 0 0 0 0 0 0 0 0 GPRESSURE: 944400 0 0 0 0 0 0 0 0 0 PRESSAVG: 944400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 944400 0 0 0 0 0 0 0 0 0 TIMING: 944400 CPU: 3734.84, 0.00394958/step Wall: 3734.84, 0.00394958/step, 1.70666 hours remaining, 113.171875 MB of memory in use. ENERGY: 944400 652.6358 1837.4980 1972.2195 104.1798 1.4392 -998.2168 0.0000 0.0000 2682.5027 6252.2582 296.2899 3569.7556 6282.0017 297.7780 PRESSURE: 944600 0 0 0 0 0 0 0 0 0 GPRESSURE: 944600 0 0 0 0 0 0 0 0 0 PRESSAVG: 944600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 944600 0 0 0 0 0 0 0 0 0 TIMING: 944600 CPU: 3735.63, 0.00394678/step Wall: 3735.63, 0.00394678/step, 1.70523 hours remaining, 113.171875 MB of memory in use. ENERGY: 944600 679.1911 1819.9033 1983.4911 102.6864 2.7392 -1046.4265 0.0000 0.0000 2670.3157 6211.9003 294.9438 3541.5845 6243.7274 299.4845 PRESSURE: 944800 0 0 0 0 0 0 0 0 0 GPRESSURE: 944800 0 0 0 0 0 0 0 0 0 PRESSAVG: 944800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 944800 0 0 0 0 0 0 0 0 0 TIMING: 944800 CPU: 3736.42, 0.00394714/step Wall: 3736.42, 0.00394714/step, 1.70517 hours remaining, 113.171875 MB of memory in use. ENERGY: 944800 664.9160 1816.4178 1969.3287 105.8622 2.2790 -1033.4705 0.0000 0.0000 2717.9923 6243.3255 300.2098 3525.3332 6276.0802 297.8266 PRESSURE: 945000 0 0 0 0 0 0 0 0 0 GPRESSURE: 945000 0 0 0 0 0 0 0 0 0 PRESSAVG: 945000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 945000 0 0 0 0 0 0 0 0 0 TIMING: 945000 CPU: 3737.21, 0.00394804/step Wall: 3737.21, 0.00394804/step, 1.70533 hours remaining, 113.171875 MB of memory in use. ENERGY: 945000 648.3682 1879.8939 1977.1401 101.8158 3.4510 -1082.2098 0.0000 0.0000 2708.7055 6237.1647 299.1841 3528.4592 6270.5866 301.1851 PRESSURE: 945200 0 0 0 0 0 0 0 0 0 GPRESSURE: 945200 0 0 0 0 0 0 0 0 0 PRESSAVG: 945200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 945200 0 0 0 0 0 0 0 0 0 TIMING: 945200 CPU: 3738, 0.00395396/step Wall: 3738, 0.00395396/step, 1.70767 hours remaining, 113.171875 MB of memory in use. ENERGY: 945200 661.9661 1818.5924 1985.5620 104.6104 3.1101 -1021.7476 0.0000 0.0000 2706.7203 6258.8137 298.9648 3552.0934 6290.1197 301.5202 PRESSURE: 945400 0 0 0 0 0 0 0 0 0 GPRESSURE: 945400 0 0 0 0 0 0 0 0 0 PRESSAVG: 945400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 945400 0 0 0 0 0 0 0 0 0 TIMING: 945400 CPU: 3738.79, 0.00395154/step Wall: 3738.79, 0.00395154/step, 1.70641 hours remaining, 113.171875 MB of memory in use. ENERGY: 945400 646.2447 1819.6081 1998.0889 107.1990 3.0791 -1080.5675 0.0000 0.0000 2709.1694 6202.8217 299.2353 3493.6523 6238.2917 298.2787 PRESSURE: 945600 0 0 0 0 0 0 0 0 0 GPRESSURE: 945600 0 0 0 0 0 0 0 0 0 PRESSAVG: 945600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 945600 0 0 0 0 0 0 0 0 0 TIMING: 945600 CPU: 3739.58, 0.00394812/step Wall: 3739.58, 0.00394812/step, 1.70471 hours remaining, 113.171875 MB of memory in use. ENERGY: 945600 692.8758 1820.4765 1987.0215 120.9649 2.0331 -1056.8479 0.0000 0.0000 2660.7668 6227.2908 293.8891 3566.5240 6259.3235 298.7784 PRESSURE: 945800 0 0 0 0 0 0 0 0 0 GPRESSURE: 945800 0 0 0 0 0 0 0 0 0 PRESSAVG: 945800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 945800 0 0 0 0 0 0 0 0 0 TIMING: 945800 CPU: 3740.37, 0.00394743/step Wall: 3740.37, 0.00394743/step, 1.7042 hours remaining, 113.171875 MB of memory in use. ENERGY: 945800 667.0666 1850.2032 1997.3623 103.6240 3.1154 -1050.2994 0.0000 0.0000 2648.0595 6219.1316 292.4855 3571.0721 6246.8452 299.7460 PRESSURE: 946000 0 0 0 0 0 0 0 0 0 GPRESSURE: 946000 0 0 0 0 0 0 0 0 0 PRESSAVG: 946000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 946000 0 0 0 0 0 0 0 0 0 TIMING: 946000 CPU: 3741.16, 0.00394904/step Wall: 3741.16, 0.00394904/step, 1.70467 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 946000 631.9678 1896.8756 1958.9204 117.3075 2.8422 -1043.1449 0.0000 0.0000 2642.5922 6207.3609 291.8817 3564.7686 6237.6805 300.2727 PRESSURE: 946200 0 0 0 0 0 0 0 0 0 GPRESSURE: 946200 0 0 0 0 0 0 0 0 0 PRESSAVG: 946200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 946200 0 0 0 0 0 0 0 0 0 TIMING: 946200 CPU: 3741.95, 0.00394624/step Wall: 3741.95, 0.00394624/step, 1.70324 hours remaining, 113.171875 MB of memory in use. ENERGY: 946200 642.3549 1796.7177 1992.9245 104.2276 3.3063 -1030.9357 0.0000 0.0000 2665.6662 6174.2615 294.4303 3508.5952 6206.2529 297.9627 PRESSURE: 946400 0 0 0 0 0 0 0 0 0 GPRESSURE: 946400 0 0 0 0 0 0 0 0 0 PRESSAVG: 946400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 946400 0 0 0 0 0 0 0 0 0 TIMING: 946400 CPU: 3742.73, 0.00394835/step Wall: 3742.73, 0.00394835/step, 1.70393 hours remaining, 113.171875 MB of memory in use. ENERGY: 946400 627.6737 1834.9716 1990.5509 108.5236 2.8142 -1037.8203 0.0000 0.0000 2682.9330 6209.6467 296.3374 3526.7137 6243.4809 295.6415 PRESSURE: 946600 0 0 0 0 0 0 0 0 0 GPRESSURE: 946600 0 0 0 0 0 0 0 0 0 PRESSAVG: 946600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 946600 0 0 0 0 0 0 0 0 0 TIMING: 946600 CPU: 3743.52, 0.00394974/step Wall: 3743.52, 0.00394974/step, 1.70431 hours remaining, 113.171875 MB of memory in use. ENERGY: 946600 646.1686 1812.8251 2012.8860 118.9816 2.2367 -1034.0153 0.0000 0.0000 2753.0080 6312.0907 304.0774 3559.0827 6346.8321 300.1414 PRESSURE: 946800 0 0 0 0 0 0 0 0 0 GPRESSURE: 946800 0 0 0 0 0 0 0 0 0 PRESSAVG: 946800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 946800 0 0 0 0 0 0 0 0 0 TIMING: 946800 CPU: 3744.31, 0.00394804/step Wall: 3744.31, 0.00394804/step, 1.70336 hours remaining, 113.171875 MB of memory in use. ENERGY: 946800 636.7388 1860.9828 1965.1470 102.0591 2.5764 -1053.2336 0.0000 0.0000 2771.9761 6286.2466 306.1725 3514.2705 6320.7686 303.9719 PRESSURE: 947000 0 0 0 0 0 0 0 0 0 GPRESSURE: 947000 0 0 0 0 0 0 0 0 0 PRESSAVG: 947000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 947000 0 0 0 0 0 0 0 0 0 TIMING: 947000 CPU: 3745.1, 0.00395031/step Wall: 3745.1, 0.00395031/step, 1.70412 hours remaining, 113.171875 MB of memory in use. ENERGY: 947000 671.3374 1797.0961 1993.9523 126.9933 2.2624 -1065.5163 0.0000 0.0000 2750.0572 6276.1823 303.7515 3526.1252 6309.4420 300.2095 PRESSURE: 947200 0 0 0 0 0 0 0 0 0 GPRESSURE: 947200 0 0 0 0 0 0 0 0 0 PRESSAVG: 947200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 947200 0 0 0 0 0 0 0 0 0 TIMING: 947200 CPU: 3745.89, 0.00394733/step Wall: 3745.89, 0.00394733/step, 1.70262 hours remaining, 113.171875 MB of memory in use. ENERGY: 947200 668.1717 1822.6107 1981.6639 104.3246 1.3483 -1068.1556 0.0000 0.0000 2751.1943 6261.1579 303.8771 3509.9636 6294.1535 303.6232 PRESSURE: 947400 0 0 0 0 0 0 0 0 0 GPRESSURE: 947400 0 0 0 0 0 0 0 0 0 PRESSAVG: 947400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 947400 0 0 0 0 0 0 0 0 0 TIMING: 947400 CPU: 3746.68, 0.00394957/step Wall: 3746.68, 0.00394957/step, 1.70336 hours remaining, 113.171875 MB of memory in use. ENERGY: 947400 635.7388 1849.9322 1968.1504 106.3786 0.2140 -1076.7266 0.0000 0.0000 2700.1004 6183.7878 298.2336 3483.6874 6216.5838 300.3732 PRESSURE: 947600 0 0 0 0 0 0 0 0 0 GPRESSURE: 947600 0 0 0 0 0 0 0 0 0 PRESSAVG: 947600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 947600 0 0 0 0 0 0 0 0 0 TIMING: 947600 CPU: 3747.47, 0.0039492/step Wall: 3747.47, 0.0039492/step, 1.70298 hours remaining, 113.171875 MB of memory in use. ENERGY: 947600 646.6191 1824.3769 2032.2889 110.4465 1.5419 -1092.1440 0.0000 0.0000 2674.4065 6197.5358 295.3957 3523.1293 6229.2305 296.9742 PRESSURE: 947800 0 0 0 0 0 0 0 0 0 GPRESSURE: 947800 0 0 0 0 0 0 0 0 0 PRESSAVG: 947800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 947800 0 0 0 0 0 0 0 0 0 TIMING: 947800 CPU: 3748.26, 0.0039475/step Wall: 3748.26, 0.0039475/step, 1.70203 hours remaining, 113.171875 MB of memory in use. ENERGY: 947800 668.1952 1835.4434 1989.0556 106.8671 1.6071 -1042.1528 0.0000 0.0000 2642.3814 6201.3970 291.8584 3559.0156 6234.3820 298.3562 PRESSURE: 948000 0 0 0 0 0 0 0 0 0 GPRESSURE: 948000 0 0 0 0 0 0 0 0 0 PRESSAVG: 948000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 948000 0 0 0 0 0 0 0 0 0 TIMING: 948000 CPU: 3749.05, 0.00394873/step Wall: 3749.05, 0.00394873/step, 1.70234 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 948000 708.7123 1829.9824 1963.3609 111.1217 1.9066 -1062.1177 0.0000 0.0000 2664.1709 6217.1371 294.2651 3552.9661 6246.8322 297.7463 PRESSURE: 948200 0 0 0 0 0 0 0 0 0 GPRESSURE: 948200 0 0 0 0 0 0 0 0 0 PRESSAVG: 948200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 948200 0 0 0 0 0 0 0 0 0 TIMING: 948200 CPU: 3749.84, 0.00394685/step Wall: 3749.84, 0.00394685/step, 1.70131 hours remaining, 113.171875 MB of memory in use. ENERGY: 948200 641.1026 1810.1402 1980.2372 96.9903 2.4721 -1023.6589 0.0000 0.0000 2723.2545 6230.5379 300.7910 3507.2834 6264.5408 296.8949 LDB: ============= START OF LOAD BALANCING ============== 3752.8 LDB: ============== END OF LOAD BALANCING =============== 3752.8 LDB: =============== DONE WITH MIGRATION ================ 3752.8 LDB: ============= START OF LOAD BALANCING ============== 3753.2 LDB: ============== END OF LOAD BALANCING =============== 3753.2 LDB: =============== DONE WITH MIGRATION ================ 3753.2 PRESSURE: 948400 0 0 0 0 0 0 0 0 0 GPRESSURE: 948400 0 0 0 0 0 0 0 0 0 PRESSAVG: 948400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 948400 0 0 0 0 0 0 0 0 0 TIMING: 948400 CPU: 3750.63, 0.00395272/step Wall: 3750.63, 0.00395272/step, 1.70362 hours remaining, 113.171875 MB of memory in use. ENERGY: 948400 642.1559 1839.5572 1962.2353 117.6483 2.7986 -1073.9512 0.0000 0.0000 2744.3879 6234.8320 303.1253 3490.4441 6268.7969 298.3836 PRESSURE: 948600 0 0 0 0 0 0 0 0 0 GPRESSURE: 948600 0 0 0 0 0 0 0 0 0 PRESSAVG: 948600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 948600 0 0 0 0 0 0 0 0 0 TIMING: 948600 CPU: 3751.42, 0.00395099/step Wall: 3751.42, 0.00395099/step, 1.70266 hours remaining, 113.171875 MB of memory in use. ENERGY: 948600 624.8751 1835.5247 1996.6697 111.4389 2.9288 -1067.5749 0.0000 0.0000 2740.4074 6244.2697 302.6856 3503.8623 6279.1906 300.6370 PRESSURE: 948800 0 0 0 0 0 0 0 0 0 GPRESSURE: 948800 0 0 0 0 0 0 0 0 0 PRESSAVG: 948800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 948800 0 0 0 0 0 0 0 0 0 TIMING: 948800 CPU: 3752.21, 0.00394865/step Wall: 3752.21, 0.00394865/step, 1.70143 hours remaining, 113.171875 MB of memory in use. ENERGY: 948800 638.0703 1818.9058 1972.9590 113.2238 2.5375 -1033.3102 0.0000 0.0000 2754.5301 6266.9164 304.2455 3512.3863 6299.7507 302.1292 PRESSURE: 949000 0 0 0 0 0 0 0 0 0 GPRESSURE: 949000 0 0 0 0 0 0 0 0 0 PRESSAVG: 949000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 949000 0 0 0 0 0 0 0 0 0 TIMING: 949000 CPU: 3753, 0.00394724/step Wall: 3753, 0.00394724/step, 1.7006 hours remaining, 113.171875 MB of memory in use. ENERGY: 949000 650.3752 1850.9141 1992.9976 107.8394 2.1185 -1101.2311 0.0000 0.0000 2711.7498 6214.7635 299.5203 3503.0137 6247.6282 300.5018 PRESSURE: 949200 0 0 0 0 0 0 0 0 0 GPRESSURE: 949200 0 0 0 0 0 0 0 0 0 PRESSAVG: 949200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 949200 0 0 0 0 0 0 0 0 0 TIMING: 949200 CPU: 3753.79, 0.00394862/step Wall: 3753.79, 0.00394862/step, 1.70098 hours remaining, 113.171875 MB of memory in use. ENERGY: 949200 644.8388 1846.1963 1989.5548 102.0459 1.8109 -1079.4597 0.0000 0.0000 2752.8347 6257.8217 304.0583 3504.9871 6294.5117 299.9503 PRESSURE: 949400 0 0 0 0 0 0 0 0 0 GPRESSURE: 949400 0 0 0 0 0 0 0 0 0 PRESSAVG: 949400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 949400 0 0 0 0 0 0 0 0 0 TIMING: 949400 CPU: 3754.58, 0.00394764/step Wall: 3754.58, 0.00394764/step, 1.70033 hours remaining, 113.171875 MB of memory in use. ENERGY: 949400 647.7789 1808.4613 2004.3938 105.6603 1.9428 -1040.1292 0.0000 0.0000 2751.8470 6279.9550 303.9492 3528.1080 6313.5967 303.5523 PRESSURE: 949600 0 0 0 0 0 0 0 0 0 GPRESSURE: 949600 0 0 0 0 0 0 0 0 0 PRESSAVG: 949600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 949600 0 0 0 0 0 0 0 0 0 TIMING: 949600 CPU: 3755.37, 0.00394902/step Wall: 3755.37, 0.00394902/step, 1.70071 hours remaining, 113.171875 MB of memory in use. ENERGY: 949600 680.1679 1815.6154 2007.5341 110.1629 0.3415 -1084.4519 0.0000 0.0000 2674.8124 6204.1823 295.4405 3529.3699 6238.1629 300.3630 PRESSURE: 949800 0 0 0 0 0 0 0 0 0 GPRESSURE: 949800 0 0 0 0 0 0 0 0 0 PRESSAVG: 949800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 949800 0 0 0 0 0 0 0 0 0 TIMING: 949800 CPU: 3756.16, 0.0039473/step Wall: 3756.16, 0.0039473/step, 1.69975 hours remaining, 113.171875 MB of memory in use. ENERGY: 949800 620.7451 1844.9239 1998.5620 118.2980 1.6252 -1090.9574 0.0000 0.0000 2736.2284 6229.4252 302.2240 3493.1969 6262.4650 299.0066 PRESSURE: 950000 0 0 0 0 0 0 0 0 0 GPRESSURE: 950000 0 0 0 0 0 0 0 0 0 PRESSAVG: 950000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 950000 0 0 0 0 0 0 0 0 0 TIMING: 950000 CPU: 3756.95, 0.00394693/step Wall: 3756.95, 0.00394693/step, 1.69937 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 950000 654.1221 1863.8909 1979.2386 104.1976 2.6715 -1064.7697 0.0000 0.0000 2705.4242 6244.7752 298.8216 3539.3510 6276.5732 298.7389 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 950000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 950000 WRITING COORDINATES TO RESTART FILE AT STEP 950000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 950000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 950200 0 0 0 0 0 0 0 0 0 GPRESSURE: 950200 0 0 0 0 0 0 0 0 0 PRESSAVG: 950200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 950200 0 0 0 0 0 0 0 0 0 TIMING: 950200 CPU: 3757.79, 0.00420277/step Wall: 3757.79, 0.00420277/step, 1.80929 hours remaining, 113.171875 MB of memory in use. ENERGY: 950200 613.9910 1836.2107 1975.8082 107.3428 1.9700 -1046.5119 0.0000 0.0000 2766.5304 6255.3413 305.5710 3488.8109 6289.2828 301.2512 PRESSURE: 950400 0 0 0 0 0 0 0 0 0 GPRESSURE: 950400 0 0 0 0 0 0 0 0 0 PRESSAVG: 950400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 950400 0 0 0 0 0 0 0 0 0 TIMING: 950400 CPU: 3758.58, 0.0039474/step Wall: 3758.58, 0.0039474/step, 1.69914 hours remaining, 113.171875 MB of memory in use. ENERGY: 950400 664.0507 1851.2367 2001.1084 116.5829 2.5072 -1068.2453 0.0000 0.0000 2729.7881 6297.0286 301.5127 3567.2405 6329.9894 302.9583 PRESSURE: 950600 0 0 0 0 0 0 0 0 0 GPRESSURE: 950600 0 0 0 0 0 0 0 0 0 PRESSAVG: 950600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 950600 0 0 0 0 0 0 0 0 0 TIMING: 950600 CPU: 3759.37, 0.0039479/step Wall: 3759.37, 0.0039479/step, 1.69913 hours remaining, 113.171875 MB of memory in use. ENERGY: 950600 692.5724 1836.9129 1977.9726 108.4396 2.8979 -1043.1275 0.0000 0.0000 2725.1611 6300.8289 301.0016 3575.6678 6331.4926 302.8570 PRESSURE: 950800 0 0 0 0 0 0 0 0 0 GPRESSURE: 950800 0 0 0 0 0 0 0 0 0 PRESSAVG: 950800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 950800 0 0 0 0 0 0 0 0 0 TIMING: 950800 CPU: 3760.16, 0.0039506/step Wall: 3760.16, 0.0039506/step, 1.70007 hours remaining, 113.171875 MB of memory in use. ENERGY: 950800 679.9079 1841.7580 1991.1070 100.7529 2.7966 -1093.7587 0.0000 0.0000 2754.4375 6277.0011 304.2353 3522.5636 6311.1230 301.0882 PRESSURE: 951000 0 0 0 0 0 0 0 0 0 GPRESSURE: 951000 0 0 0 0 0 0 0 0 0 PRESSAVG: 951000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 951000 0 0 0 0 0 0 0 0 0 TIMING: 951000 CPU: 3760.95, 0.00394786/step Wall: 3760.95, 0.00394786/step, 1.69868 hours remaining, 113.171875 MB of memory in use. ENERGY: 951000 665.6469 1867.8214 1962.6133 114.6105 2.8205 -1051.7290 0.0000 0.0000 2708.3858 6270.1695 299.1488 3561.7837 6300.6654 302.2672 PRESSURE: 951200 0 0 0 0 0 0 0 0 0 GPRESSURE: 951200 0 0 0 0 0 0 0 0 0 PRESSAVG: 951200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 951200 0 0 0 0 0 0 0 0 0 TIMING: 951200 CPU: 3761.74, 0.00395195/step Wall: 3761.74, 0.00395195/step, 1.70021 hours remaining, 113.171875 MB of memory in use. ENERGY: 951200 639.3208 1812.9603 2005.6475 113.5980 2.8985 -1074.4712 0.0000 0.0000 2724.9993 6224.9532 300.9838 3499.9540 6259.0042 299.9859 PRESSURE: 951400 0 0 0 0 0 0 0 0 0 GPRESSURE: 951400 0 0 0 0 0 0 0 0 0 PRESSAVG: 951400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 951400 0 0 0 0 0 0 0 0 0 TIMING: 951400 CPU: 3762.53, 0.00396865/step Wall: 3762.53, 0.00396865/step, 1.70718 hours remaining, 113.171875 MB of memory in use. ENERGY: 951400 667.0213 1848.4915 2009.5760 115.6258 3.1676 -1093.9035 0.0000 0.0000 2682.2924 6232.2712 296.2667 3549.9788 6264.7968 300.7243 PRESSURE: 951600 0 0 0 0 0 0 0 0 0 GPRESSURE: 951600 0 0 0 0 0 0 0 0 0 PRESSAVG: 951600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 951600 0 0 0 0 0 0 0 0 0 TIMING: 951600 CPU: 3763.33, 0.00395814/step Wall: 3763.33, 0.00395814/step, 1.70244 hours remaining, 113.171875 MB of memory in use. ENERGY: 951600 622.1980 1832.7668 2012.2502 103.1463 3.5713 -1048.4239 0.0000 0.0000 2706.7887 6232.2974 298.9724 3525.5087 6264.6644 299.5748 PRESSURE: 951800 0 0 0 0 0 0 0 0 0 GPRESSURE: 951800 0 0 0 0 0 0 0 0 0 PRESSAVG: 951800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 951800 0 0 0 0 0 0 0 0 0 TIMING: 951800 CPU: 3764.12, 0.00397302/step Wall: 3764.12, 0.00397302/step, 1.70862 hours remaining, 113.171875 MB of memory in use. ENERGY: 951800 654.9851 1818.9902 1989.0143 111.0311 1.9345 -1062.7644 0.0000 0.0000 2711.3414 6224.5322 299.4752 3513.1908 6257.7306 301.0674 PRESSURE: 952000 0 0 0 0 0 0 0 0 0 GPRESSURE: 952000 0 0 0 0 0 0 0 0 0 PRESSAVG: 952000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 952000 0 0 0 0 0 0 0 0 0 TIMING: 952000 CPU: 3764.91, 0.00395132/step Wall: 3764.91, 0.00395132/step, 1.69907 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 952000 620.2784 1808.3327 1965.6386 99.6805 1.5492 -1040.7192 0.0000 0.0000 2738.9940 6193.7542 302.5295 3454.7602 6226.4293 297.7752 PRESSURE: 952200 0 0 0 0 0 0 0 0 0 GPRESSURE: 952200 0 0 0 0 0 0 0 0 0 PRESSAVG: 952200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 952200 0 0 0 0 0 0 0 0 0 TIMING: 952200 CPU: 3765.7, 0.00394916/step Wall: 3765.7, 0.00394916/step, 1.69792 hours remaining, 113.171875 MB of memory in use. ENERGY: 952200 645.2961 1847.0460 1941.9428 113.8673 0.8846 -1016.4796 0.0000 0.0000 2689.4453 6222.0026 297.0567 3532.5572 6254.9599 296.6664 LDB: ============= START OF LOAD BALANCING ============== 3768.66 LDB: ============== END OF LOAD BALANCING =============== 3768.66 LDB: =============== DONE WITH MIGRATION ================ 3768.66 LDB: ============= START OF LOAD BALANCING ============== 3769.05 LDB: ============== END OF LOAD BALANCING =============== 3769.05 LDB: =============== DONE WITH MIGRATION ================ 3769.05 PRESSURE: 952400 0 0 0 0 0 0 0 0 0 GPRESSURE: 952400 0 0 0 0 0 0 0 0 0 PRESSAVG: 952400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 952400 0 0 0 0 0 0 0 0 0 TIMING: 952400 CPU: 3766.49, 0.00395421/step Wall: 3766.49, 0.00395421/step, 1.69987 hours remaining, 113.171875 MB of memory in use. ENERGY: 952400 669.4294 1823.2604 1971.6799 115.8259 2.4212 -1049.9348 0.0000 0.0000 2687.2025 6219.8844 296.8090 3532.6819 6250.2927 296.4002 PRESSURE: 952600 0 0 0 0 0 0 0 0 0 GPRESSURE: 952600 0 0 0 0 0 0 0 0 0 PRESSAVG: 952600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 952600 0 0 0 0 0 0 0 0 0 TIMING: 952600 CPU: 3767.28, 0.00394954/step Wall: 3767.28, 0.00394954/step, 1.69764 hours remaining, 113.171875 MB of memory in use. ENERGY: 952600 628.0932 1828.4341 1969.1736 106.4988 2.4805 -1077.3457 0.0000 0.0000 2699.9167 6157.2512 298.2133 3457.3345 6192.2232 298.4135 PRESSURE: 952800 0 0 0 0 0 0 0 0 0 GPRESSURE: 952800 0 0 0 0 0 0 0 0 0 PRESSAVG: 952800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 952800 0 0 0 0 0 0 0 0 0 TIMING: 952800 CPU: 3768.07, 0.00394724/step Wall: 3768.07, 0.00394724/step, 1.69644 hours remaining, 113.171875 MB of memory in use. ENERGY: 952800 619.3195 1797.4128 1973.4787 108.6966 3.0704 -1024.4524 0.0000 0.0000 2698.8152 6176.3408 298.0917 3477.5256 6209.6737 295.8632 PRESSURE: 953000 0 0 0 0 0 0 0 0 0 GPRESSURE: 953000 0 0 0 0 0 0 0 0 0 PRESSAVG: 953000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 953000 0 0 0 0 0 0 0 0 0 TIMING: 953000 CPU: 3768.86, 0.00394545/step Wall: 3768.86, 0.00394545/step, 1.69545 hours remaining, 113.171875 MB of memory in use. ENERGY: 953000 661.7385 1770.2660 1995.5893 109.5417 1.1696 -1039.0465 0.0000 0.0000 2687.5843 6186.8429 296.8512 3499.2586 6220.7534 298.0807 PRESSURE: 953200 0 0 0 0 0 0 0 0 0 GPRESSURE: 953200 0 0 0 0 0 0 0 0 0 PRESSAVG: 953200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 953200 0 0 0 0 0 0 0 0 0 TIMING: 953200 CPU: 3769.65, 0.00394872/step Wall: 3769.65, 0.00394872/step, 1.69664 hours remaining, 113.171875 MB of memory in use. ENERGY: 953200 674.7055 1779.4104 1993.4839 98.5800 2.4196 -1030.9451 0.0000 0.0000 2684.2109 6201.8652 296.4786 3517.6544 6235.6676 298.0933 PRESSURE: 953400 0 0 0 0 0 0 0 0 0 GPRESSURE: 953400 0 0 0 0 0 0 0 0 0 PRESSAVG: 953400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 953400 0 0 0 0 0 0 0 0 0 TIMING: 953400 CPU: 3770.44, 0.00394677/step Wall: 3770.44, 0.00394677/step, 1.69557 hours remaining, 113.171875 MB of memory in use. ENERGY: 953400 645.7350 1778.9774 2003.1018 117.5180 1.9594 -1066.4151 0.0000 0.0000 2718.9481 6199.8246 300.3154 3480.8765 6233.3540 298.3090 PRESSURE: 953600 0 0 0 0 0 0 0 0 0 GPRESSURE: 953600 0 0 0 0 0 0 0 0 0 PRESSAVG: 953600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 953600 0 0 0 0 0 0 0 0 0 TIMING: 953600 CPU: 3771.23, 0.00394922/step Wall: 3771.23, 0.00394922/step, 1.69641 hours remaining, 113.171875 MB of memory in use. ENERGY: 953600 621.3248 1817.4259 1918.3729 109.0660 1.8593 -1022.4467 0.0000 0.0000 2695.9382 6141.5403 297.7739 3445.6021 6174.6688 295.1413 PRESSURE: 953800 0 0 0 0 0 0 0 0 0 GPRESSURE: 953800 0 0 0 0 0 0 0 0 0 PRESSAVG: 953800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 953800 0 0 0 0 0 0 0 0 0 TIMING: 953800 CPU: 3772.02, 0.0039457/step Wall: 3772.02, 0.0039457/step, 1.69468 hours remaining, 113.171875 MB of memory in use. ENERGY: 953800 664.4622 1843.7180 1978.1865 98.2525 2.7633 -1071.3224 0.0000 0.0000 2647.4588 6163.5187 292.4192 3516.0600 6196.4079 295.8573 PRESSURE: 954000 0 0 0 0 0 0 0 0 0 GPRESSURE: 954000 0 0 0 0 0 0 0 0 0 PRESSAVG: 954000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 954000 0 0 0 0 0 0 0 0 0 TIMING: 954000 CPU: 3772.81, 0.00394848/step Wall: 3772.81, 0.00394848/step, 1.69565 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 954000 707.3323 1796.4512 1985.9951 98.3442 1.5617 -1067.0768 0.0000 0.0000 2659.2082 6181.8158 293.7170 3522.6076 6212.5587 295.2317 PRESSURE: 954200 0 0 0 0 0 0 0 0 0 GPRESSURE: 954200 0 0 0 0 0 0 0 0 0 PRESSAVG: 954200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 954200 0 0 0 0 0 0 0 0 0 TIMING: 954200 CPU: 3773.6, 0.00394918/step Wall: 3773.6, 0.00394918/step, 1.69574 hours remaining, 113.171875 MB of memory in use. ENERGY: 954200 650.8309 1781.7929 1968.8432 102.6143 2.4705 -1036.8767 0.0000 0.0000 2705.7620 6175.4370 298.8589 3469.6750 6209.9205 298.7765 PRESSURE: 954400 0 0 0 0 0 0 0 0 0 GPRESSURE: 954400 0 0 0 0 0 0 0 0 0 PRESSAVG: 954400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 954400 0 0 0 0 0 0 0 0 0 TIMING: 954400 CPU: 3774.39, 0.00394738/step Wall: 3774.39, 0.00394738/step, 1.69474 hours remaining, 113.171875 MB of memory in use. ENERGY: 954400 626.6798 1832.8904 1986.4024 113.8959 2.0660 -1060.6074 0.0000 0.0000 2706.2855 6207.6125 298.9168 3501.3270 6237.6470 298.5148 PRESSURE: 954600 0 0 0 0 0 0 0 0 0 GPRESSURE: 954600 0 0 0 0 0 0 0 0 0 PRESSAVG: 954600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 954600 0 0 0 0 0 0 0 0 0 TIMING: 954600 CPU: 3775.18, 0.00394797/step Wall: 3775.18, 0.00394797/step, 1.69478 hours remaining, 113.171875 MB of memory in use. ENERGY: 954600 629.4396 1790.4323 1975.1357 119.0925 1.1887 -1025.1570 0.0000 0.0000 2718.9951 6209.1269 300.3206 3490.1318 6242.7775 297.2213 PRESSURE: 954800 0 0 0 0 0 0 0 0 0 GPRESSURE: 954800 0 0 0 0 0 0 0 0 0 PRESSAVG: 954800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 954800 0 0 0 0 0 0 0 0 0 TIMING: 954800 CPU: 3775.97, 0.0039468/step Wall: 3775.97, 0.0039468/step, 1.69405 hours remaining, 113.171875 MB of memory in use. ENERGY: 954800 670.4317 1839.0027 1979.2017 109.2497 1.7412 -1074.5708 0.0000 0.0000 2699.4372 6224.4933 298.1604 3525.0561 6256.4269 299.6658 PRESSURE: 955000 0 0 0 0 0 0 0 0 0 GPRESSURE: 955000 0 0 0 0 0 0 0 0 0 PRESSAVG: 955000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 955000 0 0 0 0 0 0 0 0 0 TIMING: 955000 CPU: 3776.75, 0.00394733/step Wall: 3776.75, 0.00394733/step, 1.69406 hours remaining, 113.171875 MB of memory in use. ENERGY: 955000 654.3538 1826.1305 1968.6190 113.0303 2.2609 -1071.3128 0.0000 0.0000 2722.9927 6216.0744 300.7621 3493.0817 6250.9260 298.5327 PRESSURE: 955200 0 0 0 0 0 0 0 0 0 GPRESSURE: 955200 0 0 0 0 0 0 0 0 0 PRESSAVG: 955200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 955200 0 0 0 0 0 0 0 0 0 TIMING: 955200 CPU: 3777.54, 0.00394899/step Wall: 3777.54, 0.00394899/step, 1.69456 hours remaining, 113.171875 MB of memory in use. ENERGY: 955200 661.4873 1851.1955 1948.6402 98.4152 1.2360 -1046.3465 0.0000 0.0000 2742.9801 6257.6078 302.9698 3514.6277 6289.6253 297.1846 PRESSURE: 955400 0 0 0 0 0 0 0 0 0 GPRESSURE: 955400 0 0 0 0 0 0 0 0 0 PRESSAVG: 955400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 955400 0 0 0 0 0 0 0 0 0 TIMING: 955400 CPU: 3778.34, 0.00396021/step Wall: 3778.34, 0.00396021/step, 1.69915 hours remaining, 113.171875 MB of memory in use. ENERGY: 955400 666.9178 1926.6418 1967.9118 98.9345 0.9159 -1049.1635 0.0000 0.0000 2754.9691 6367.1274 304.2940 3612.1583 6395.8343 304.2082 PRESSURE: 955600 0 0 0 0 0 0 0 0 0 GPRESSURE: 955600 0 0 0 0 0 0 0 0 0 PRESSAVG: 955600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 955600 0 0 0 0 0 0 0 0 0 TIMING: 955600 CPU: 3779.13, 0.00394896/step Wall: 3779.13, 0.00394896/step, 1.6941 hours remaining, 113.171875 MB of memory in use. ENERGY: 955600 645.6101 1834.0306 1994.3714 113.7568 2.8988 -1013.3613 0.0000 0.0000 2787.1790 6364.4853 307.8517 3577.3063 6397.7990 308.4090 PRESSURE: 955800 0 0 0 0 0 0 0 0 0 GPRESSURE: 955800 0 0 0 0 0 0 0 0 0 PRESSAVG: 955800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 955800 0 0 0 0 0 0 0 0 0 TIMING: 955800 CPU: 3779.92, 0.0039464/step Wall: 3779.92, 0.0039464/step, 1.69279 hours remaining, 113.171875 MB of memory in use. ENERGY: 955800 682.5827 1906.4699 1994.3824 102.5081 1.1237 -1045.9613 0.0000 0.0000 2702.3371 6343.4426 298.4807 3641.1055 6374.4964 305.1444 PRESSURE: 956000 0 0 0 0 0 0 0 0 0 GPRESSURE: 956000 0 0 0 0 0 0 0 0 0 PRESSAVG: 956000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 956000 0 0 0 0 0 0 0 0 0 TIMING: 956000 CPU: 3780.71, 0.00394762/step Wall: 3780.71, 0.00394762/step, 1.69309 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 956000 655.7846 1856.3553 1984.9202 109.9775 1.7709 -1050.6871 0.0000 0.0000 2726.0300 6284.1513 301.0976 3558.1214 6319.5162 303.3161 PRESSURE: 956200 0 0 0 0 0 0 0 0 0 GPRESSURE: 956200 0 0 0 0 0 0 0 0 0 PRESSAVG: 956200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 956200 0 0 0 0 0 0 0 0 0 TIMING: 956200 CPU: 3781.49, 0.00394905/step Wall: 3781.49, 0.00394905/step, 1.69349 hours remaining, 113.171875 MB of memory in use. ENERGY: 956200 649.9689 1874.0705 2001.5009 107.0828 0.1986 -1004.5541 0.0000 0.0000 2709.3335 6337.6011 299.2534 3628.2676 6371.3322 304.1801 LDB: ============= START OF LOAD BALANCING ============== 3784.45 LDB: ============== END OF LOAD BALANCING =============== 3784.45 LDB: =============== DONE WITH MIGRATION ================ 3784.45 LDB: ============= START OF LOAD BALANCING ============== 3784.85 LDB: ============== END OF LOAD BALANCING =============== 3784.85 LDB: =============== DONE WITH MIGRATION ================ 3784.85 PRESSURE: 956400 0 0 0 0 0 0 0 0 0 GPRESSURE: 956400 0 0 0 0 0 0 0 0 0 PRESSAVG: 956400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 956400 0 0 0 0 0 0 0 0 0 TIMING: 956400 CPU: 3782.29, 0.00395197/step Wall: 3782.29, 0.00395197/step, 1.69452 hours remaining, 113.171875 MB of memory in use. ENERGY: 956400 667.3097 1888.7390 1979.0274 112.3248 0.8825 -1013.5132 0.0000 0.0000 2763.4162 6398.1864 305.2270 3634.7702 6428.7663 306.3958 PRESSURE: 956600 0 0 0 0 0 0 0 0 0 GPRESSURE: 956600 0 0 0 0 0 0 0 0 0 PRESSAVG: 956600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 956600 0 0 0 0 0 0 0 0 0 TIMING: 956600 CPU: 3783.07, 0.0039483/step Wall: 3783.07, 0.0039483/step, 1.69272 hours remaining, 113.171875 MB of memory in use. ENERGY: 956600 671.9177 1891.0092 1973.0223 103.4595 -1.1556 -1052.5344 0.0000 0.0000 2781.5392 6367.2578 307.2288 3585.7186 6403.2456 307.2889 PRESSURE: 956800 0 0 0 0 0 0 0 0 0 GPRESSURE: 956800 0 0 0 0 0 0 0 0 0 PRESSAVG: 956800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 956800 0 0 0 0 0 0 0 0 0 TIMING: 956800 CPU: 3783.86, 0.00394929/step Wall: 3783.86, 0.00394929/step, 1.69293 hours remaining, 113.171875 MB of memory in use. ENERGY: 956800 676.3098 1863.9328 1984.5638 96.2962 1.6214 -1008.1781 0.0000 0.0000 2712.5183 6327.0642 299.6052 3614.5459 6358.5033 307.4850 PRESSURE: 957000 0 0 0 0 0 0 0 0 0 GPRESSURE: 957000 0 0 0 0 0 0 0 0 0 PRESSAVG: 957000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 957000 0 0 0 0 0 0 0 0 0 TIMING: 957000 CPU: 3784.65, 0.00395/step Wall: 3784.65, 0.00395/step, 1.69302 hours remaining, 113.171875 MB of memory in use. ENERGY: 957000 656.3163 1944.8430 1996.4166 102.3722 2.3414 -1095.7573 0.0000 0.0000 2731.5174 6338.0497 301.7037 3606.5322 6372.0937 304.4935 PRESSURE: 957200 0 0 0 0 0 0 0 0 0 GPRESSURE: 957200 0 0 0 0 0 0 0 0 0 PRESSAVG: 957200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 957200 0 0 0 0 0 0 0 0 0 TIMING: 957200 CPU: 3785.44, 0.00395034/step Wall: 3785.44, 0.00395034/step, 1.69294 hours remaining, 113.171875 MB of memory in use. ENERGY: 957200 643.1896 1870.4505 2003.7722 108.7477 0.7082 -1068.9561 0.0000 0.0000 2732.2317 6290.1439 301.7826 3557.9122 6323.4741 304.0857 PRESSURE: 957400 0 0 0 0 0 0 0 0 0 GPRESSURE: 957400 0 0 0 0 0 0 0 0 0 PRESSAVG: 957400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 957400 0 0 0 0 0 0 0 0 0 TIMING: 957400 CPU: 3786.23, 0.00394912/step Wall: 3786.23, 0.00394912/step, 1.6922 hours remaining, 113.171875 MB of memory in use. ENERGY: 957400 684.1055 1842.0318 1975.4989 102.5360 0.7577 -1087.0544 0.0000 0.0000 2714.2536 6232.1290 299.7969 3517.8754 6265.4838 300.9021 PRESSURE: 957600 0 0 0 0 0 0 0 0 0 GPRESSURE: 957600 0 0 0 0 0 0 0 0 0 PRESSAVG: 957600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 957600 0 0 0 0 0 0 0 0 0 TIMING: 957600 CPU: 3787.02, 0.00394783/step Wall: 3787.02, 0.00394783/step, 1.69142 hours remaining, 113.171875 MB of memory in use. ENERGY: 957600 648.1173 1842.9955 1967.7198 99.1825 2.0233 -1037.9916 0.0000 0.0000 2714.3332 6236.3800 299.8057 3522.0469 6268.7075 300.0763 PRESSURE: 957800 0 0 0 0 0 0 0 0 0 GPRESSURE: 957800 0 0 0 0 0 0 0 0 0 PRESSAVG: 957800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 957800 0 0 0 0 0 0 0 0 0 TIMING: 957800 CPU: 3787.81, 0.00394873/step Wall: 3787.81, 0.00394872/step, 1.69159 hours remaining, 113.171875 MB of memory in use. ENERGY: 957800 615.1287 1842.5361 1954.9973 114.4637 1.4394 -1045.7014 0.0000 0.0000 2672.5375 6155.4013 295.1892 3482.8638 6189.1051 297.0145 PRESSURE: 958000 0 0 0 0 0 0 0 0 0 GPRESSURE: 958000 0 0 0 0 0 0 0 0 0 PRESSAVG: 958000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 958000 0 0 0 0 0 0 0 0 0 TIMING: 958000 CPU: 3788.6, 0.00394954/step Wall: 3788.6, 0.00394955/step, 1.69172 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 958000 672.6437 1842.8460 1974.7406 122.6047 0.7919 -1078.2984 0.0000 0.0000 2683.8993 6219.2277 296.4442 3535.3285 6252.2431 296.1429 PRESSURE: 958200 0 0 0 0 0 0 0 0 0 GPRESSURE: 958200 0 0 0 0 0 0 0 0 0 PRESSAVG: 958200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 958200 0 0 0 0 0 0 0 0 0 TIMING: 958200 CPU: 3789.39, 0.00395025/step Wall: 3789.39, 0.00395025/step, 1.6918 hours remaining, 113.171875 MB of memory in use. ENERGY: 958200 637.6377 1837.9493 1975.3497 104.4869 1.5464 -1068.2734 0.0000 0.0000 2727.1365 6215.8332 301.2198 3488.6967 6249.7939 298.2662 PRESSURE: 958400 0 0 0 0 0 0 0 0 0 GPRESSURE: 958400 0 0 0 0 0 0 0 0 0 PRESSAVG: 958400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 958400 0 0 0 0 0 0 0 0 0 TIMING: 958400 CPU: 3790.18, 0.00394932/step Wall: 3790.18, 0.00394932/step, 1.69119 hours remaining, 113.171875 MB of memory in use. ENERGY: 958400 611.7963 1825.6933 2006.5218 105.1062 1.5908 -1065.4920 0.0000 0.0000 2704.1264 6189.3428 298.6783 3485.2164 6221.2878 297.9960 PRESSURE: 958600 0 0 0 0 0 0 0 0 0 GPRESSURE: 958600 0 0 0 0 0 0 0 0 0 PRESSAVG: 958600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 958600 0 0 0 0 0 0 0 0 0 TIMING: 958600 CPU: 3790.97, 0.00394918/step Wall: 3790.97, 0.00394918/step, 1.69091 hours remaining, 113.171875 MB of memory in use. ENERGY: 958600 632.5199 1903.4306 1968.8073 101.3861 1.8992 -1059.3890 0.0000 0.0000 2706.1121 6254.7662 298.8976 3548.6541 6286.7004 299.6019 PRESSURE: 958800 0 0 0 0 0 0 0 0 0 GPRESSURE: 958800 0 0 0 0 0 0 0 0 0 PRESSAVG: 958800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 958800 0 0 0 0 0 0 0 0 0 TIMING: 958800 CPU: 3791.76, 0.00395039/step Wall: 3791.76, 0.00395039/step, 1.69121 hours remaining, 113.171875 MB of memory in use. ENERGY: 958800 637.5273 1865.3027 1969.8923 105.3519 1.7384 -1027.9575 0.0000 0.0000 2693.8188 6245.6740 297.5398 3551.8552 6278.5772 301.1409 PRESSURE: 959000 0 0 0 0 0 0 0 0 0 GPRESSURE: 959000 0 0 0 0 0 0 0 0 0 PRESSAVG: 959000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 959000 0 0 0 0 0 0 0 0 0 TIMING: 959000 CPU: 3792.55, 0.00394816/step Wall: 3792.55, 0.00394816/step, 1.69003 hours remaining, 113.171875 MB of memory in use. ENERGY: 959000 659.2358 1863.1461 1994.6982 108.8511 2.5545 -1047.2896 0.0000 0.0000 2730.6902 6311.8863 301.6123 3581.1961 6343.7203 301.2293 PRESSURE: 959200 0 0 0 0 0 0 0 0 0 GPRESSURE: 959200 0 0 0 0 0 0 0 0 0 PRESSAVG: 959200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 959200 0 0 0 0 0 0 0 0 0 TIMING: 959200 CPU: 3793.34, 0.00394829/step Wall: 3793.34, 0.00394829/step, 1.68987 hours remaining, 113.171875 MB of memory in use. ENERGY: 959200 688.1897 1897.5132 1974.6076 114.6872 1.7116 -1076.1587 0.0000 0.0000 2735.8150 6336.3656 302.1784 3600.5506 6369.4331 303.0426 PRESSURE: 959400 0 0 0 0 0 0 0 0 0 GPRESSURE: 959400 0 0 0 0 0 0 0 0 0 PRESSAVG: 959400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 959400 0 0 0 0 0 0 0 0 0 TIMING: 959400 CPU: 3794.13, 0.0039479/step Wall: 3794.13, 0.0039479/step, 1.68948 hours remaining, 113.171875 MB of memory in use. ENERGY: 959400 675.7772 1882.8868 1972.3869 105.0598 2.4512 -1068.8281 0.0000 0.0000 2744.4659 6314.1997 303.1339 3569.7338 6347.0647 304.0743 PRESSURE: 959600 0 0 0 0 0 0 0 0 0 GPRESSURE: 959600 0 0 0 0 0 0 0 0 0 PRESSAVG: 959600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 959600 0 0 0 0 0 0 0 0 0 TIMING: 959600 CPU: 3794.92, 0.00394632/step Wall: 3794.92, 0.00394632/step, 1.68858 hours remaining, 113.171875 MB of memory in use. ENERGY: 959600 656.4413 1887.7293 2016.6296 99.9110 1.6939 -1052.8274 0.0000 0.0000 2711.1639 6320.7416 299.4556 3609.5777 6355.6721 302.4211 PRESSURE: 959800 0 0 0 0 0 0 0 0 0 GPRESSURE: 959800 0 0 0 0 0 0 0 0 0 PRESSAVG: 959800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 959800 0 0 0 0 0 0 0 0 0 TIMING: 959800 CPU: 3795.71, 0.00394871/step Wall: 3795.71, 0.00394871/step, 1.68939 hours remaining, 113.171875 MB of memory in use. ENERGY: 959800 661.0865 1837.2118 1991.2607 114.2516 3.0799 -1044.4391 0.0000 0.0000 2781.0081 6343.4593 307.1701 3562.4513 6378.2052 303.6779 PRESSURE: 960000 0 0 0 0 0 0 0 0 0 GPRESSURE: 960000 0 0 0 0 0 0 0 0 0 PRESSAVG: 960000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 960000 0 0 0 0 0 0 0 0 0 TIMING: 960000 CPU: 3796.5, 0.00394922/step Wall: 3796.5, 0.00394922/step, 1.68939 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 960000 663.6615 1893.5797 1954.0315 107.9849 3.1028 -1072.9979 0.0000 0.0000 2733.7832 6283.1458 301.9540 3549.3625 6316.6225 303.5860 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 960000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 960000 WRITING COORDINATES TO RESTART FILE AT STEP 960000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 960000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 960200 0 0 0 0 0 0 0 0 0 GPRESSURE: 960200 0 0 0 0 0 0 0 0 0 PRESSAVG: 960200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 960200 0 0 0 0 0 0 0 0 0 TIMING: 960200 CPU: 3797.33, 0.00416654/step Wall: 3797.33, 0.00416654/step, 1.78212 hours remaining, 113.171875 MB of memory in use. ENERGY: 960200 667.8937 1817.0761 2000.9280 108.6012 3.6466 -1067.5235 0.0000 0.0000 2737.4111 6268.0331 302.3547 3530.6221 6302.7097 299.8544 LDB: ============= START OF LOAD BALANCING ============== 3800.29 LDB: ============== END OF LOAD BALANCING =============== 3800.29 LDB: =============== DONE WITH MIGRATION ================ 3800.29 LDB: ============= START OF LOAD BALANCING ============== 3800.69 LDB: ============== END OF LOAD BALANCING =============== 3800.69 LDB: =============== DONE WITH MIGRATION ================ 3800.69 PRESSURE: 960400 0 0 0 0 0 0 0 0 0 GPRESSURE: 960400 0 0 0 0 0 0 0 0 0 PRESSAVG: 960400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 960400 0 0 0 0 0 0 0 0 0 TIMING: 960400 CPU: 3798.13, 0.00395224/step Wall: 3798.13, 0.00395224/step, 1.69024 hours remaining, 113.171875 MB of memory in use. ENERGY: 960400 667.5982 1826.2788 2005.3893 104.0060 3.2219 -1105.5406 0.0000 0.0000 2659.9909 6160.9444 293.8034 3500.9535 6192.1338 299.6239 PRESSURE: 960600 0 0 0 0 0 0 0 0 0 GPRESSURE: 960600 0 0 0 0 0 0 0 0 0 PRESSAVG: 960600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 960600 0 0 0 0 0 0 0 0 0 TIMING: 960600 CPU: 3798.91, 0.00394761/step Wall: 3798.91, 0.00394761/step, 1.68804 hours remaining, 113.171875 MB of memory in use. ENERGY: 960600 660.7695 1767.4285 2010.6150 105.9076 2.8203 -1109.2936 0.0000 0.0000 2689.7859 6128.0331 297.0943 3438.2472 6161.7492 295.3453 PRESSURE: 960800 0 0 0 0 0 0 0 0 0 GPRESSURE: 960800 0 0 0 0 0 0 0 0 0 PRESSAVG: 960800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 960800 0 0 0 0 0 0 0 0 0 TIMING: 960800 CPU: 3799.7, 0.00395133/step Wall: 3799.7, 0.00395133/step, 1.68941 hours remaining, 113.171875 MB of memory in use. ENERGY: 960800 622.3439 1839.4345 1952.6798 103.3946 2.5382 -1039.4729 0.0000 0.0000 2660.6644 6141.5825 293.8778 3480.9181 6175.7025 294.6234 PRESSURE: 961000 0 0 0 0 0 0 0 0 0 GPRESSURE: 961000 0 0 0 0 0 0 0 0 0 PRESSAVG: 961000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 961000 0 0 0 0 0 0 0 0 0 TIMING: 961000 CPU: 3800.49, 0.00394916/step Wall: 3800.49, 0.00394916/step, 1.68827 hours remaining, 113.171875 MB of memory in use. ENERGY: 961000 636.8548 1841.4682 1942.3324 99.1590 2.7228 -1082.3120 0.0000 0.0000 2789.1942 6229.4193 308.0743 3440.2250 6266.3004 296.9083 PRESSURE: 961200 0 0 0 0 0 0 0 0 0 GPRESSURE: 961200 0 0 0 0 0 0 0 0 0 PRESSAVG: 961200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 961200 0 0 0 0 0 0 0 0 0 TIMING: 961200 CPU: 3801.28, 0.00394975/step Wall: 3801.28, 0.00394975/step, 1.6883 hours remaining, 113.171875 MB of memory in use. ENERGY: 961200 667.0419 1853.9058 1946.0817 106.7512 1.8538 -1077.1212 0.0000 0.0000 2731.9462 6230.4595 301.7511 3498.5133 6265.9060 300.3975 PRESSURE: 961400 0 0 0 0 0 0 0 0 0 GPRESSURE: 961400 0 0 0 0 0 0 0 0 0 PRESSAVG: 961400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 961400 0 0 0 0 0 0 0 0 0 TIMING: 961400 CPU: 3802.07, 0.00394806/step Wall: 3802.07, 0.00394806/step, 1.68736 hours remaining, 113.171875 MB of memory in use. ENERGY: 961400 677.7408 1777.5693 1965.3477 109.1944 2.4876 -1065.8735 0.0000 0.0000 2782.0271 6248.4936 307.2826 3466.4665 6282.9577 300.2152 PRESSURE: 961600 0 0 0 0 0 0 0 0 0 GPRESSURE: 961600 0 0 0 0 0 0 0 0 0 PRESSAVG: 961600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 961600 0 0 0 0 0 0 0 0 0 TIMING: 961600 CPU: 3802.86, 0.00394775/step Wall: 3802.86, 0.00394775/step, 1.68701 hours remaining, 113.171875 MB of memory in use. ENERGY: 961600 682.9563 1828.2381 1998.4603 103.9423 1.7183 -1034.7945 0.0000 0.0000 2724.9336 6305.4543 300.9765 3580.5207 6334.4431 301.0592 PRESSURE: 961800 0 0 0 0 0 0 0 0 0 GPRESSURE: 961800 0 0 0 0 0 0 0 0 0 PRESSAVG: 961800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 961800 0 0 0 0 0 0 0 0 0 TIMING: 961800 CPU: 3803.65, 0.00395001/step Wall: 3803.65, 0.00395001/step, 1.68775 hours remaining, 113.171875 MB of memory in use. ENERGY: 961800 641.6785 1831.1183 1978.0982 102.3312 2.2517 -1033.1298 0.0000 0.0000 2789.5820 6311.9301 308.1171 3522.3481 6347.4777 302.7398 PRESSURE: 962000 0 0 0 0 0 0 0 0 0 GPRESSURE: 962000 0 0 0 0 0 0 0 0 0 PRESSAVG: 962000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 962000 0 0 0 0 0 0 0 0 0 TIMING: 962000 CPU: 3804.44, 0.00394793/step Wall: 3804.44, 0.00394793/step, 1.68664 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 962000 650.0250 1838.9691 1990.7828 115.8720 1.7768 -1055.1873 0.0000 0.0000 2768.3354 6310.5739 305.7704 3542.2385 6344.5191 304.2053 PRESSURE: 962200 0 0 0 0 0 0 0 0 0 GPRESSURE: 962200 0 0 0 0 0 0 0 0 0 PRESSAVG: 962200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 962200 0 0 0 0 0 0 0 0 0 TIMING: 962200 CPU: 3805.23, 0.00394802/step Wall: 3805.23, 0.00394802/step, 1.68646 hours remaining, 113.171875 MB of memory in use. ENERGY: 962200 698.9346 1834.1031 1968.6274 100.6213 0.9120 -1048.5824 0.0000 0.0000 2765.1324 6319.7484 305.4166 3554.6160 6351.0578 303.2273 PRESSURE: 962400 0 0 0 0 0 0 0 0 0 GPRESSURE: 962400 0 0 0 0 0 0 0 0 0 PRESSAVG: 962400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 962400 0 0 0 0 0 0 0 0 0 TIMING: 962400 CPU: 3806.02, 0.00394577/step Wall: 3806.02, 0.00394577/step, 1.68528 hours remaining, 113.171875 MB of memory in use. ENERGY: 962400 648.2596 1889.3895 1980.2084 120.7763 1.2739 -1040.3208 0.0000 0.0000 2752.5101 6352.0970 304.0224 3599.5869 6387.1783 304.9693 PRESSURE: 962600 0 0 0 0 0 0 0 0 0 GPRESSURE: 962600 0 0 0 0 0 0 0 0 0 PRESSAVG: 962600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 962600 0 0 0 0 0 0 0 0 0 TIMING: 962600 CPU: 3806.81, 0.0039467/step Wall: 3806.81, 0.0039467/step, 1.68546 hours remaining, 113.171875 MB of memory in use. ENERGY: 962600 701.9600 1817.3101 2002.1685 95.8150 2.1031 -1036.1237 0.0000 0.0000 2745.1841 6328.4172 303.2132 3583.2331 6363.5407 305.2721 PRESSURE: 962800 0 0 0 0 0 0 0 0 0 GPRESSURE: 962800 0 0 0 0 0 0 0 0 0 PRESSAVG: 962800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 962800 0 0 0 0 0 0 0 0 0 TIMING: 962800 CPU: 3807.6, 0.00394816/step Wall: 3807.6, 0.00394816/step, 1.68586 hours remaining, 113.171875 MB of memory in use. ENERGY: 962800 691.8722 1838.2562 1992.4460 99.8572 2.5660 -1051.7692 0.0000 0.0000 2702.2288 6275.4574 298.4687 3573.2285 6303.8375 303.0380 PRESSURE: 963000 0 0 0 0 0 0 0 0 0 GPRESSURE: 963000 0 0 0 0 0 0 0 0 0 PRESSAVG: 963000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 963000 0 0 0 0 0 0 0 0 0 TIMING: 963000 CPU: 3808.39, 0.00394722/step Wall: 3808.39, 0.00394722/step, 1.68524 hours remaining, 113.171875 MB of memory in use. ENERGY: 963000 673.8820 1814.1780 1968.9217 94.3945 2.5469 -1048.4418 0.0000 0.0000 2729.6746 6235.1559 301.5002 3505.4813 6268.8779 299.0278 PRESSURE: 963200 0 0 0 0 0 0 0 0 0 GPRESSURE: 963200 0 0 0 0 0 0 0 0 0 PRESSAVG: 963200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 963200 0 0 0 0 0 0 0 0 0 TIMING: 963200 CPU: 3809.18, 0.00394827/step Wall: 3809.18, 0.00394827/step, 1.68547 hours remaining, 113.171875 MB of memory in use. ENERGY: 963200 645.3282 1852.1904 1970.0870 118.2338 1.8138 -1049.7136 0.0000 0.0000 2691.6087 6229.5484 297.2957 3537.9396 6263.5549 298.5375 PRESSURE: 963400 0 0 0 0 0 0 0 0 0 GPRESSURE: 963400 0 0 0 0 0 0 0 0 0 PRESSAVG: 963400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 963400 0 0 0 0 0 0 0 0 0 TIMING: 963400 CPU: 3809.97, 0.00394621/step Wall: 3809.97, 0.00394621/step, 1.68438 hours remaining, 113.171875 MB of memory in use. ENERGY: 963400 646.0408 1867.2211 1958.6976 97.2155 2.6203 -1055.1621 0.0000 0.0000 2694.5637 6211.1968 297.6221 3516.6331 6241.2024 298.5284 PRESSURE: 963600 0 0 0 0 0 0 0 0 0 GPRESSURE: 963600 0 0 0 0 0 0 0 0 0 PRESSAVG: 963600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 963600 0 0 0 0 0 0 0 0 0 TIMING: 963600 CPU: 3810.76, 0.00394838/step Wall: 3810.76, 0.00394838/step, 1.68508 hours remaining, 113.171875 MB of memory in use. ENERGY: 963600 620.6461 1877.6041 1999.1254 100.6875 2.0372 -1047.1064 0.0000 0.0000 2719.1963 6272.1902 300.3428 3552.9939 6304.6504 300.4914 PRESSURE: 963800 0 0 0 0 0 0 0 0 0 GPRESSURE: 963800 0 0 0 0 0 0 0 0 0 PRESSAVG: 963800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 963800 0 0 0 0 0 0 0 0 0 TIMING: 963800 CPU: 3811.55, 0.00394874/step Wall: 3811.55, 0.00394874/step, 1.68502 hours remaining, 113.171875 MB of memory in use. ENERGY: 963800 659.3735 1848.3336 1970.5832 121.6649 1.9763 -1050.5189 0.0000 0.0000 2720.7691 6272.1818 300.5165 3551.4127 6307.8234 301.9486 PRESSURE: 964000 0 0 0 0 0 0 0 0 0 GPRESSURE: 964000 0 0 0 0 0 0 0 0 0 PRESSAVG: 964000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 964000 0 0 0 0 0 0 0 0 0 TIMING: 964000 CPU: 3812.34, 0.00394704/step Wall: 3812.34, 0.00394704/step, 1.68407 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 964000 678.6262 1863.3924 1984.9838 102.9059 2.6322 -1069.0972 0.0000 0.0000 2713.0545 6276.4979 299.6644 3563.4435 6305.6549 302.9075 PRESSURE: 964200 0 0 0 0 0 0 0 0 0 GPRESSURE: 964200 0 0 0 0 0 0 0 0 0 PRESSAVG: 964200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 964200 0 0 0 0 0 0 0 0 0 TIMING: 964200 CPU: 3813.13, 0.00394874/step Wall: 3813.13, 0.00394874/step, 1.68458 hours remaining, 113.171875 MB of memory in use. ENERGY: 964200 610.1136 1862.4354 2001.9227 102.0737 3.2901 -1076.9404 0.0000 0.0000 2787.2252 6290.1203 307.8568 3502.8951 6325.5776 301.9701 LDB: ============= START OF LOAD BALANCING ============== 3816.09 LDB: ============== END OF LOAD BALANCING =============== 3816.09 LDB: =============== DONE WITH MIGRATION ================ 3816.09 LDB: ============= START OF LOAD BALANCING ============== 3816.48 LDB: ============== END OF LOAD BALANCING =============== 3816.48 LDB: =============== DONE WITH MIGRATION ================ 3816.48 PRESSURE: 964400 0 0 0 0 0 0 0 0 0 GPRESSURE: 964400 0 0 0 0 0 0 0 0 0 PRESSAVG: 964400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 964400 0 0 0 0 0 0 0 0 0 TIMING: 964400 CPU: 3813.92, 0.00395322/step Wall: 3813.92, 0.00395322/step, 1.68627 hours remaining, 113.171875 MB of memory in use. ENERGY: 964400 645.0968 1801.2735 1990.2381 126.2137 2.9808 -1034.2165 0.0000 0.0000 2778.0463 6309.6326 306.8429 3531.5864 6341.8400 303.0130 PRESSURE: 964600 0 0 0 0 0 0 0 0 0 GPRESSURE: 964600 0 0 0 0 0 0 0 0 0 PRESSAVG: 964600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 964600 0 0 0 0 0 0 0 0 0 TIMING: 964600 CPU: 3814.71, 0.00394885/step Wall: 3814.71, 0.00394885/step, 1.68418 hours remaining, 113.171875 MB of memory in use. ENERGY: 964600 711.5787 1869.8215 2000.7816 116.2127 3.1149 -1053.3334 0.0000 0.0000 2688.1162 6336.2922 296.9099 3648.1760 6366.2403 302.3380 PRESSURE: 964800 0 0 0 0 0 0 0 0 0 GPRESSURE: 964800 0 0 0 0 0 0 0 0 0 PRESSAVG: 964800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 964800 0 0 0 0 0 0 0 0 0 TIMING: 964800 CPU: 3815.5, 0.00394855/step Wall: 3815.5, 0.00394855/step, 1.68384 hours remaining, 113.171875 MB of memory in use. ENERGY: 964800 658.8124 1819.3857 2017.4879 120.9680 2.0987 -1071.4569 0.0000 0.0000 2694.1709 6241.4667 297.5787 3547.2958 6273.1102 302.0173 PRESSURE: 965000 0 0 0 0 0 0 0 0 0 GPRESSURE: 965000 0 0 0 0 0 0 0 0 0 PRESSAVG: 965000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 965000 0 0 0 0 0 0 0 0 0 TIMING: 965000 CPU: 3816.29, 0.00394794/step Wall: 3816.29, 0.00394794/step, 1.68336 hours remaining, 113.171875 MB of memory in use. ENERGY: 965000 615.0463 1865.3735 1977.4375 103.2934 2.0271 -1069.9083 0.0000 0.0000 2760.4788 6253.7482 304.9026 3493.2694 6284.1042 299.1591 PRESSURE: 965200 0 0 0 0 0 0 0 0 0 GPRESSURE: 965200 0 0 0 0 0 0 0 0 0 PRESSAVG: 965200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 965200 0 0 0 0 0 0 0 0 0 TIMING: 965200 CPU: 3817.08, 0.00394921/step Wall: 3817.08, 0.00394921/step, 1.68368 hours remaining, 113.171875 MB of memory in use. ENERGY: 965200 632.2994 1839.7145 1973.9680 112.3024 3.2958 -1074.2815 0.0000 0.0000 2753.7253 6241.0240 304.1566 3487.2987 6275.6506 302.0225 PRESSURE: 965400 0 0 0 0 0 0 0 0 0 GPRESSURE: 965400 0 0 0 0 0 0 0 0 0 PRESSAVG: 965400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 965400 0 0 0 0 0 0 0 0 0 TIMING: 965400 CPU: 3817.87, 0.00394739/step Wall: 3817.87, 0.00394739/step, 1.68268 hours remaining, 113.171875 MB of memory in use. ENERGY: 965400 663.0663 1834.7236 1978.1616 110.8843 3.7028 -1070.2792 0.0000 0.0000 2740.3351 6260.5944 302.6776 3520.2593 6294.7189 300.9558 PRESSURE: 965600 0 0 0 0 0 0 0 0 0 GPRESSURE: 965600 0 0 0 0 0 0 0 0 0 PRESSAVG: 965600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 965600 0 0 0 0 0 0 0 0 0 TIMING: 965600 CPU: 3818.66, 0.00396551/step Wall: 3818.66, 0.00396551/step, 1.69019 hours remaining, 113.171875 MB of memory in use. ENERGY: 965600 677.6571 1808.5229 2003.1502 104.9748 2.3193 -1056.8312 0.0000 0.0000 2703.0228 6242.8158 298.5564 3539.7931 6276.5095 299.1962 PRESSURE: 965800 0 0 0 0 0 0 0 0 0 GPRESSURE: 965800 0 0 0 0 0 0 0 0 0 PRESSAVG: 965800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 965800 0 0 0 0 0 0 0 0 0 TIMING: 965800 CPU: 3819.45, 0.00394925/step Wall: 3819.45, 0.00394925/step, 1.68304 hours remaining, 113.171875 MB of memory in use. ENERGY: 965800 674.5463 1819.5986 1978.8377 96.0997 2.7771 -1104.1277 0.0000 0.0000 2781.4833 6249.2150 307.2226 3467.7317 6286.4001 301.0549 PRESSURE: 966000 0 0 0 0 0 0 0 0 0 GPRESSURE: 966000 0 0 0 0 0 0 0 0 0 PRESSAVG: 966000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 966000 0 0 0 0 0 0 0 0 0 TIMING: 966000 CPU: 3820.24, 0.00395158/step Wall: 3820.24, 0.00395158/step, 1.68381 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 966000 689.9846 1803.2295 1982.3201 114.7985 2.4365 -1085.9480 0.0000 0.0000 2683.3263 6190.1475 296.3809 3506.8212 6222.2301 299.0866 PRESSURE: 966200 0 0 0 0 0 0 0 0 0 GPRESSURE: 966200 0 0 0 0 0 0 0 0 0 PRESSAVG: 966200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 966200 0 0 0 0 0 0 0 0 0 TIMING: 966200 CPU: 3821.03, 0.00394868/step Wall: 3821.03, 0.00394868/step, 1.68236 hours remaining, 113.171875 MB of memory in use. ENERGY: 966200 637.2898 1802.5598 1976.2654 103.5740 2.1968 -1063.5055 0.0000 0.0000 2752.1861 6210.5665 303.9866 3458.3803 6246.0237 298.6932 PRESSURE: 966400 0 0 0 0 0 0 0 0 0 GPRESSURE: 966400 0 0 0 0 0 0 0 0 0 PRESSAVG: 966400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 966400 0 0 0 0 0 0 0 0 0 TIMING: 966400 CPU: 3821.82, 0.0039501/step Wall: 3821.82, 0.0039501/step, 1.68274 hours remaining, 113.171875 MB of memory in use. ENERGY: 966400 633.3630 1863.2418 1968.7864 107.2159 2.7303 -1082.3487 0.0000 0.0000 2735.3961 6228.3848 302.1321 3492.9887 6262.7464 298.9687 PRESSURE: 966600 0 0 0 0 0 0 0 0 0 GPRESSURE: 966600 0 0 0 0 0 0 0 0 0 PRESSAVG: 966600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 966600 0 0 0 0 0 0 0 0 0 TIMING: 966600 CPU: 3822.61, 0.00396385/step Wall: 3822.61, 0.00396385/step, 1.68838 hours remaining, 113.171875 MB of memory in use. ENERGY: 966600 668.2608 1750.2780 1948.8551 106.4493 2.2015 -1044.4451 0.0000 0.0000 2709.4666 6141.0662 299.2681 3431.5996 6174.4899 296.9402 PRESSURE: 966800 0 0 0 0 0 0 0 0 0 GPRESSURE: 966800 0 0 0 0 0 0 0 0 0 PRESSAVG: 966800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 966800 0 0 0 0 0 0 0 0 0 TIMING: 966800 CPU: 3823.4, 0.00395587/step Wall: 3823.4, 0.00395588/step, 1.68477 hours remaining, 113.171875 MB of memory in use. ENERGY: 966800 652.7330 1803.7670 1963.3226 110.2221 2.9100 -1088.6703 0.0000 0.0000 2669.9473 6114.2318 294.9031 3444.2844 6144.8002 295.7835 PRESSURE: 967000 0 0 0 0 0 0 0 0 0 GPRESSURE: 967000 0 0 0 0 0 0 0 0 0 PRESSAVG: 967000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 967000 0 0 0 0 0 0 0 0 0 TIMING: 967000 CPU: 3824.2, 0.0039566/step Wall: 3824.2, 0.0039566/step, 1.68485 hours remaining, 113.171875 MB of memory in use. ENERGY: 967000 648.8169 1827.0084 1930.5837 116.2650 2.6180 -1114.2985 0.0000 0.0000 2716.1749 6127.1683 300.0091 3410.9934 6159.8986 293.3259 PRESSURE: 967200 0 0 0 0 0 0 0 0 0 GPRESSURE: 967200 0 0 0 0 0 0 0 0 0 PRESSAVG: 967200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 967200 0 0 0 0 0 0 0 0 0 TIMING: 967200 CPU: 3824.98, 0.00394689/step Wall: 3824.98, 0.00394689/step, 1.6805 hours remaining, 113.171875 MB of memory in use. ENERGY: 967200 630.4272 1810.7367 1964.7000 113.9590 3.0501 -1098.6653 0.0000 0.0000 2733.9440 6158.1518 301.9717 3424.2078 6194.3033 296.6963 PRESSURE: 967400 0 0 0 0 0 0 0 0 0 GPRESSURE: 967400 0 0 0 0 0 0 0 0 0 PRESSAVG: 967400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 967400 0 0 0 0 0 0 0 0 0 TIMING: 967400 CPU: 3825.77, 0.00395071/step Wall: 3825.77, 0.0039507/step, 1.6819 hours remaining, 113.171875 MB of memory in use. ENERGY: 967400 658.3964 1846.1948 1940.3346 113.0081 2.6004 -1067.0797 0.0000 0.0000 2692.6721 6186.1267 297.4131 3493.4546 6218.0329 297.7626 PRESSURE: 967600 0 0 0 0 0 0 0 0 0 GPRESSURE: 967600 0 0 0 0 0 0 0 0 0 PRESSAVG: 967600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 967600 0 0 0 0 0 0 0 0 0 TIMING: 967600 CPU: 3826.56, 0.00395015/step Wall: 3826.56, 0.0039501/step, 1.68142 hours remaining, 113.171875 MB of memory in use. ENERGY: 967600 648.5169 1846.2934 1940.4758 102.3599 2.3442 -1063.0910 0.0000 0.0000 2715.3295 6192.2287 299.9157 3476.8992 6225.1076 298.2934 PRESSURE: 967800 0 0 0 0 0 0 0 0 0 GPRESSURE: 967800 0 0 0 0 0 0 0 0 0 PRESSAVG: 967800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 967800 0 0 0 0 0 0 0 0 0 TIMING: 967800 CPU: 3827.36, 0.00395227/step Wall: 3827.36, 0.00395233/step, 1.68216 hours remaining, 113.171875 MB of memory in use. ENERGY: 967800 663.4222 1863.4031 1969.6246 111.3935 2.8474 -1062.2447 0.0000 0.0000 2680.3915 6228.8376 296.0567 3548.4461 6261.6194 299.2681 PRESSURE: 968000 0 0 0 0 0 0 0 0 0 GPRESSURE: 968000 0 0 0 0 0 0 0 0 0 PRESSAVG: 968000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 968000 0 0 0 0 0 0 0 0 0 TIMING: 968000 CPU: 3828.14, 0.00394658/step Wall: 3828.14, 0.00394658/step, 1.67949 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 968000 666.6140 1842.7160 1972.3293 119.9500 3.0815 -1050.7547 0.0000 0.0000 2660.8458 6214.7819 293.8978 3553.9361 6245.2459 299.9116 PRESSURE: 968200 0 0 0 0 0 0 0 0 0 GPRESSURE: 968200 0 0 0 0 0 0 0 0 0 PRESSAVG: 968200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 968200 0 0 0 0 0 0 0 0 0 TIMING: 968200 CPU: 3828.93, 0.00394825/step Wall: 3828.93, 0.00394825/step, 1.67998 hours remaining, 113.171875 MB of memory in use. ENERGY: 968200 638.8452 1857.7229 1949.1174 112.1340 1.5690 -1099.7563 0.0000 0.0000 2720.3296 6179.9618 300.4680 3459.6322 6212.6986 298.9725 LDB: ============= START OF LOAD BALANCING ============== 3831.89 LDB: ============== END OF LOAD BALANCING =============== 3831.89 LDB: =============== DONE WITH MIGRATION ================ 3831.89 LDB: ============= START OF LOAD BALANCING ============== 3832.29 LDB: ============== END OF LOAD BALANCING =============== 3832.29 LDB: =============== DONE WITH MIGRATION ================ 3832.29 PRESSURE: 968400 0 0 0 0 0 0 0 0 0 GPRESSURE: 968400 0 0 0 0 0 0 0 0 0 PRESSAVG: 968400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 968400 0 0 0 0 0 0 0 0 0 TIMING: 968400 CPU: 3829.73, 0.00395571/step Wall: 3829.73, 0.00395571/step, 1.68293 hours remaining, 113.171875 MB of memory in use. ENERGY: 968400 652.5660 1859.7529 1964.8910 109.4927 2.2071 -1075.2438 0.0000 0.0000 2671.4288 6185.0946 295.0667 3513.6658 6217.3879 296.2236 PRESSURE: 968600 0 0 0 0 0 0 0 0 0 GPRESSURE: 968600 0 0 0 0 0 0 0 0 0 PRESSAVG: 968600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 968600 0 0 0 0 0 0 0 0 0 TIMING: 968600 CPU: 3830.52, 0.00394989/step Wall: 3830.52, 0.00394989/step, 1.68024 hours remaining, 113.171875 MB of memory in use. ENERGY: 968600 630.2184 1903.5674 1935.9853 108.7110 2.0189 -1064.4080 0.0000 0.0000 2721.5852 6237.6782 300.6067 3516.0930 6268.8552 296.5538 PRESSURE: 968800 0 0 0 0 0 0 0 0 0 GPRESSURE: 968800 0 0 0 0 0 0 0 0 0 PRESSAVG: 968800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 968800 0 0 0 0 0 0 0 0 0 TIMING: 968800 CPU: 3831.31, 0.00395056/step Wall: 3831.31, 0.00395056/step, 1.6803 hours remaining, 113.171875 MB of memory in use. ENERGY: 968800 648.9675 1848.3166 1980.8349 123.3078 1.1936 -1072.0967 0.0000 0.0000 2744.1976 6274.7212 303.1043 3530.5237 6305.7393 301.5845 PRESSURE: 969000 0 0 0 0 0 0 0 0 0 GPRESSURE: 969000 0 0 0 0 0 0 0 0 0 PRESSAVG: 969000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 969000 0 0 0 0 0 0 0 0 0 TIMING: 969000 CPU: 3832.09, 0.00394634/step Wall: 3832.09, 0.00394634/step, 1.67829 hours remaining, 113.171875 MB of memory in use. ENERGY: 969000 672.9134 1895.5636 1993.3312 111.8252 1.8078 -1092.8555 0.0000 0.0000 2723.6087 6306.1943 300.8302 3582.5856 6335.8130 303.2079 PRESSURE: 969200 0 0 0 0 0 0 0 0 0 GPRESSURE: 969200 0 0 0 0 0 0 0 0 0 PRESSAVG: 969200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 969200 0 0 0 0 0 0 0 0 0 TIMING: 969200 CPU: 3832.89, 0.00395197/step Wall: 3832.89, 0.00395197/step, 1.68047 hours remaining, 113.171875 MB of memory in use. ENERGY: 969200 674.2759 1861.0610 2001.5738 103.0219 2.3881 -1011.6200 0.0000 0.0000 2702.6422 6333.3428 298.5144 3630.7006 6365.9272 304.2524 PRESSURE: 969400 0 0 0 0 0 0 0 0 0 GPRESSURE: 969400 0 0 0 0 0 0 0 0 0 PRESSAVG: 969400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 969400 0 0 0 0 0 0 0 0 0 TIMING: 969400 CPU: 3833.68, 0.00395237/step Wall: 3833.68, 0.00395237/step, 1.68042 hours remaining, 113.171875 MB of memory in use. ENERGY: 969400 680.4860 1841.6083 2012.6162 107.0458 1.6993 -1090.8440 0.0000 0.0000 2778.2417 6330.8532 306.8645 3552.6115 6366.2319 305.6979 PRESSURE: 969600 0 0 0 0 0 0 0 0 0 GPRESSURE: 969600 0 0 0 0 0 0 0 0 0 PRESSAVG: 969600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 969600 0 0 0 0 0 0 0 0 0 TIMING: 969600 CPU: 3834.47, 0.00395085/step Wall: 3834.47, 0.00395085/step, 1.67955 hours remaining, 113.171875 MB of memory in use. ENERGY: 969600 721.7213 1855.5640 1967.6247 97.8076 2.5874 -1055.8666 0.0000 0.0000 2803.9193 6393.3578 309.7007 3589.4384 6428.4851 307.1116 PRESSURE: 969800 0 0 0 0 0 0 0 0 0 GPRESSURE: 969800 0 0 0 0 0 0 0 0 0 PRESSAVG: 969800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 969800 0 0 0 0 0 0 0 0 0 TIMING: 969800 CPU: 3835.26, 0.00395116/step Wall: 3835.26, 0.00395116/step, 1.67946 hours remaining, 113.171875 MB of memory in use. ENERGY: 969800 689.4585 1908.6091 1995.1581 103.7161 2.4428 -1013.5012 0.0000 0.0000 2724.5762 6410.4596 300.9370 3685.8834 6444.4918 308.5565 PRESSURE: 970000 0 0 0 0 0 0 0 0 0 GPRESSURE: 970000 0 0 0 0 0 0 0 0 0 PRESSAVG: 970000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 970000 0 0 0 0 0 0 0 0 0 TIMING: 970000 CPU: 3836.05, 0.00394729/step Wall: 3836.05, 0.00394729/step, 1.6776 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 970000 701.1213 1859.5693 2001.6000 107.5211 2.9695 -1037.9643 0.0000 0.0000 2798.3987 6433.2156 309.0909 3634.8169 6467.7248 307.2613 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 970000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 970000 WRITING COORDINATES TO RESTART FILE AT STEP 970000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 970000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 970200 0 0 0 0 0 0 0 0 0 GPRESSURE: 970200 0 0 0 0 0 0 0 0 0 PRESSAVG: 970200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 970200 0 0 0 0 0 0 0 0 0 TIMING: 970200 CPU: 3836.88, 0.00418342/step Wall: 3836.88, 0.00418342/step, 1.77772 hours remaining, 113.171875 MB of memory in use. ENERGY: 970200 696.6350 1882.1503 1986.9210 111.9977 1.7864 -1030.5725 0.0000 0.0000 2770.8270 6419.7449 306.0456 3648.9179 6456.4015 309.1029 PRESSURE: 970400 0 0 0 0 0 0 0 0 0 GPRESSURE: 970400 0 0 0 0 0 0 0 0 0 PRESSAVG: 970400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 970400 0 0 0 0 0 0 0 0 0 TIMING: 970400 CPU: 3837.67, 0.00395196/step Wall: 3837.67, 0.00395196/step, 1.67914 hours remaining, 113.171875 MB of memory in use. ENERGY: 970400 673.3011 1845.0033 1973.4618 126.3932 1.4217 -1008.2319 0.0000 0.0000 2823.4256 6434.7748 311.8552 3611.3492 6472.4418 309.2100 PRESSURE: 970600 0 0 0 0 0 0 0 0 0 GPRESSURE: 970600 0 0 0 0 0 0 0 0 0 PRESSAVG: 970600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 970600 0 0 0 0 0 0 0 0 0 TIMING: 970600 CPU: 3838.46, 0.00395116/step Wall: 3838.46, 0.00395116/step, 1.67858 hours remaining, 113.171875 MB of memory in use. ENERGY: 970600 655.7560 1902.9628 1992.2162 110.9613 3.1151 -1017.6521 0.0000 0.0000 2792.6077 6439.9670 308.4513 3647.3593 6472.4053 309.4390 PRESSURE: 970800 0 0 0 0 0 0 0 0 0 GPRESSURE: 970800 0 0 0 0 0 0 0 0 0 PRESSAVG: 970800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 970800 0 0 0 0 0 0 0 0 0 TIMING: 970800 CPU: 3839.25, 0.00395273/step Wall: 3839.25, 0.00395273/step, 1.67903 hours remaining, 113.171875 MB of memory in use. ENERGY: 970800 696.5064 1890.2717 1986.9597 100.6010 0.8404 -1023.4523 0.0000 0.0000 2767.7840 6419.5109 305.7094 3651.7269 6454.2055 307.4572 PRESSURE: 971000 0 0 0 0 0 0 0 0 0 GPRESSURE: 971000 0 0 0 0 0 0 0 0 0 PRESSAVG: 971000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 971000 0 0 0 0 0 0 0 0 0 TIMING: 971000 CPU: 3840.04, 0.00394675/step Wall: 3840.04, 0.00394675/step, 1.67627 hours remaining, 113.171875 MB of memory in use. ENERGY: 971000 659.4634 1863.0885 2004.6898 112.6244 1.1399 -1028.8706 0.0000 0.0000 2763.3511 6375.4865 305.2198 3612.1355 6410.1020 307.1109 PRESSURE: 971200 0 0 0 0 0 0 0 0 0 GPRESSURE: 971200 0 0 0 0 0 0 0 0 0 PRESSAVG: 971200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 971200 0 0 0 0 0 0 0 0 0 TIMING: 971200 CPU: 3840.83, 0.00395154/step Wall: 3840.83, 0.00395154/step, 1.67809 hours remaining, 113.171875 MB of memory in use. ENERGY: 971200 653.4624 1880.3090 1985.2902 120.8678 0.6486 -1032.4409 0.0000 0.0000 2745.9813 6354.1183 303.3013 3608.1371 6386.7639 307.1166 PRESSURE: 971400 0 0 0 0 0 0 0 0 0 GPRESSURE: 971400 0 0 0 0 0 0 0 0 0 PRESSAVG: 971400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 971400 0 0 0 0 0 0 0 0 0 TIMING: 971400 CPU: 3841.62, 0.00395326/step Wall: 3841.62, 0.00395326/step, 1.6786 hours remaining, 113.171875 MB of memory in use. ENERGY: 971400 669.6038 1908.7212 1983.4975 108.1009 1.3818 -1074.1172 0.0000 0.0000 2690.9141 6288.1021 297.2190 3597.1880 6320.7323 305.6824 PRESSURE: 971600 0 0 0 0 0 0 0 0 0 GPRESSURE: 971600 0 0 0 0 0 0 0 0 0 PRESSAVG: 971600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 971600 0 0 0 0 0 0 0 0 0 TIMING: 971600 CPU: 3842.41, 0.00395148/step Wall: 3842.41, 0.00395148/step, 1.67762 hours remaining, 113.171875 MB of memory in use. ENERGY: 971600 679.1228 1822.2282 1982.8344 106.4585 2.0354 -1034.4736 0.0000 0.0000 2755.2670 6313.4727 304.3269 3558.2057 6345.8084 302.4481 PRESSURE: 971800 0 0 0 0 0 0 0 0 0 GPRESSURE: 971800 0 0 0 0 0 0 0 0 0 PRESSAVG: 971800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 971800 0 0 0 0 0 0 0 0 0 TIMING: 971800 CPU: 3843.2, 0.00394699/step Wall: 3843.2, 0.00394699/step, 1.6755 hours remaining, 113.171875 MB of memory in use. ENERGY: 971800 630.9810 1875.2608 2003.7755 100.3179 -0.0128 -1059.0639 0.0000 0.0000 2737.8785 6289.1369 302.4063 3551.2584 6322.1774 303.2777 PRESSURE: 972000 0 0 0 0 0 0 0 0 0 GPRESSURE: 972000 0 0 0 0 0 0 0 0 0 PRESSAVG: 972000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 972000 0 0 0 0 0 0 0 0 0 TIMING: 972000 CPU: 3843.99, 0.00395167/step Wall: 3843.99, 0.00395167/step, 1.67726 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 972000 660.5379 1899.7144 2013.0388 107.0488 0.7894 -1054.9420 0.0000 0.0000 2701.3605 6327.5478 298.3728 3626.1873 6361.0596 303.7782 PRESSURE: 972200 0 0 0 0 0 0 0 0 0 GPRESSURE: 972200 0 0 0 0 0 0 0 0 0 PRESSAVG: 972200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 972200 0 0 0 0 0 0 0 0 0 TIMING: 972200 CPU: 3844.78, 0.00395257/step Wall: 3844.78, 0.00395257/step, 1.67743 hours remaining, 113.171875 MB of memory in use. ENERGY: 972200 632.8567 1896.8980 2001.5003 109.6922 1.9535 -1043.1499 0.0000 0.0000 2782.2197 6381.9704 307.3039 3599.7507 6415.6162 304.1481 LDB: ============= START OF LOAD BALANCING ============== 3847.74 LDB: ============== END OF LOAD BALANCING =============== 3847.74 LDB: =============== DONE WITH MIGRATION ================ 3847.74 LDB: ============= START OF LOAD BALANCING ============== 3848.14 LDB: ============== END OF LOAD BALANCING =============== 3848.14 LDB: =============== DONE WITH MIGRATION ================ 3848.14 PRESSURE: 972400 0 0 0 0 0 0 0 0 0 GPRESSURE: 972400 0 0 0 0 0 0 0 0 0 PRESSAVG: 972400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 972400 0 0 0 0 0 0 0 0 0 TIMING: 972400 CPU: 3845.58, 0.00395757/step Wall: 3845.58, 0.00395757/step, 1.67933 hours remaining, 113.171875 MB of memory in use. ENERGY: 972400 662.0546 1892.5960 2012.7874 105.2474 2.1482 -1056.0333 0.0000 0.0000 2750.6270 6369.4274 303.8144 3618.8004 6401.6213 306.9866 PRESSURE: 972600 0 0 0 0 0 0 0 0 0 GPRESSURE: 972600 0 0 0 0 0 0 0 0 0 PRESSAVG: 972600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 972600 0 0 0 0 0 0 0 0 0 TIMING: 972600 CPU: 3846.37, 0.00395248/step Wall: 3846.37, 0.00395248/step, 1.67695 hours remaining, 113.171875 MB of memory in use. ENERGY: 972600 672.6364 1874.6168 1996.7908 93.5855 2.5053 -1028.9508 0.0000 0.0000 2696.9904 6308.1743 297.8901 3611.1839 6340.9914 304.3411 PRESSURE: 972800 0 0 0 0 0 0 0 0 0 GPRESSURE: 972800 0 0 0 0 0 0 0 0 0 PRESSAVG: 972800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 972800 0 0 0 0 0 0 0 0 0 TIMING: 972800 CPU: 3847.16, 0.00394771/step Wall: 3847.16, 0.00394771/step, 1.67471 hours remaining, 113.171875 MB of memory in use. ENERGY: 972800 670.1464 1828.1639 1993.3733 91.8886 2.9912 -1027.9845 0.0000 0.0000 2728.7487 6287.3276 301.3979 3558.5789 6319.2012 302.4511 PRESSURE: 973000 0 0 0 0 0 0 0 0 0 GPRESSURE: 973000 0 0 0 0 0 0 0 0 0 PRESSAVG: 973000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 973000 0 0 0 0 0 0 0 0 0 TIMING: 973000 CPU: 3847.95, 0.00395082/step Wall: 3847.95, 0.00395082/step, 1.67581 hours remaining, 113.171875 MB of memory in use. ENERGY: 973000 661.4111 1871.7801 2005.1258 103.1786 2.2322 -1047.7805 0.0000 0.0000 2679.3053 6275.2525 295.9367 3595.9472 6305.9442 301.3273 PRESSURE: 973200 0 0 0 0 0 0 0 0 0 GPRESSURE: 973200 0 0 0 0 0 0 0 0 0 PRESSAVG: 973200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 973200 0 0 0 0 0 0 0 0 0 TIMING: 973200 CPU: 3848.74, 0.00395353/step Wall: 3848.74, 0.00395353/step, 1.67674 hours remaining, 113.171875 MB of memory in use. ENERGY: 973200 680.1359 1770.6263 1965.7109 104.3767 2.0249 -1053.8785 0.0000 0.0000 2787.4255 6256.4216 307.8789 3468.9961 6291.4109 300.8432 PRESSURE: 973400 0 0 0 0 0 0 0 0 0 GPRESSURE: 973400 0 0 0 0 0 0 0 0 0 PRESSAVG: 973400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 973400 0 0 0 0 0 0 0 0 0 TIMING: 973400 CPU: 3849.53, 0.00395256/step Wall: 3849.53, 0.00395256/step, 1.67611 hours remaining, 113.171875 MB of memory in use. ENERGY: 973400 647.2045 1822.4778 1988.9447 108.8700 2.0812 -1041.7253 0.0000 0.0000 2792.6307 6320.4836 308.4538 3527.8529 6355.9622 302.0833 PRESSURE: 973600 0 0 0 0 0 0 0 0 0 GPRESSURE: 973600 0 0 0 0 0 0 0 0 0 PRESSAVG: 973600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 973600 0 0 0 0 0 0 0 0 0 TIMING: 973600 CPU: 3850.32, 0.00395218/step Wall: 3850.32, 0.00395218/step, 1.67572 hours remaining, 113.171875 MB of memory in use. ENERGY: 973600 681.1357 1827.4540 2007.3326 114.2920 1.8883 -1054.6546 0.0000 0.0000 2744.5003 6321.9484 303.1377 3577.4481 6355.9490 303.1656 PRESSURE: 973800 0 0 0 0 0 0 0 0 0 GPRESSURE: 973800 0 0 0 0 0 0 0 0 0 PRESSAVG: 973800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 973800 0 0 0 0 0 0 0 0 0 TIMING: 973800 CPU: 3851.11, 0.00394914/step Wall: 3851.11, 0.00394914/step, 1.67422 hours remaining, 113.171875 MB of memory in use. ENERGY: 973800 669.1678 1845.1311 1964.8635 103.9569 0.9894 -1023.2209 0.0000 0.0000 2735.2136 6296.1013 302.1120 3560.8877 6328.2233 303.5721 PRESSURE: 974000 0 0 0 0 0 0 0 0 0 GPRESSURE: 974000 0 0 0 0 0 0 0 0 0 PRESSAVG: 974000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 974000 0 0 0 0 0 0 0 0 0 TIMING: 974000 CPU: 3851.9, 0.00395147/step Wall: 3851.9, 0.00395147/step, 1.67499 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 974000 680.9166 1814.0703 1988.3560 112.9311 1.6511 -1066.1186 0.0000 0.0000 2731.2108 6263.0174 301.6698 3531.8066 6297.3543 300.7489 PRESSURE: 974200 0 0 0 0 0 0 0 0 0 GPRESSURE: 974200 0 0 0 0 0 0 0 0 0 PRESSAVG: 974200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 974200 0 0 0 0 0 0 0 0 0 TIMING: 974200 CPU: 3852.69, 0.00395323/step Wall: 3852.69, 0.00395323/step, 1.67551 hours remaining, 113.171875 MB of memory in use. ENERGY: 974200 670.4124 1758.3094 1974.0999 112.3928 2.1787 -1037.5392 0.0000 0.0000 2736.4744 6216.3285 302.2512 3479.8541 6249.8150 299.3623 PRESSURE: 974400 0 0 0 0 0 0 0 0 0 GPRESSURE: 974400 0 0 0 0 0 0 0 0 0 PRESSAVG: 974400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 974400 0 0 0 0 0 0 0 0 0 TIMING: 974400 CPU: 3853.48, 0.00395329/step Wall: 3853.48, 0.00395329/step, 1.67532 hours remaining, 113.171875 MB of memory in use. ENERGY: 974400 635.2916 1849.9257 1993.8751 125.1502 2.4012 -1067.0023 0.0000 0.0000 2693.7981 6233.4396 297.5375 3539.6415 6265.1821 300.0375 PRESSURE: 974600 0 0 0 0 0 0 0 0 0 GPRESSURE: 974600 0 0 0 0 0 0 0 0 0 PRESSAVG: 974600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 974600 0 0 0 0 0 0 0 0 0 TIMING: 974600 CPU: 3854.27, 0.00395339/step Wall: 3854.27, 0.00395339/step, 1.67514 hours remaining, 113.171875 MB of memory in use. ENERGY: 974600 654.3375 1831.6392 2001.7655 116.3005 1.7932 -1071.8248 0.0000 0.0000 2685.9181 6219.9291 296.6671 3534.0110 6252.5887 300.8653 PRESSURE: 974800 0 0 0 0 0 0 0 0 0 GPRESSURE: 974800 0 0 0 0 0 0 0 0 0 PRESSAVG: 974800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 974800 0 0 0 0 0 0 0 0 0 TIMING: 974800 CPU: 3855.06, 0.00394684/step Wall: 3855.06, 0.00394684/step, 1.67214 hours remaining, 113.171875 MB of memory in use. ENERGY: 974800 688.9951 1770.2832 2007.1368 117.1282 2.2483 -1057.2951 0.0000 0.0000 2666.1440 6194.6406 294.4830 3528.4966 6226.9876 297.6882 PRESSURE: 975000 0 0 0 0 0 0 0 0 0 GPRESSURE: 975000 0 0 0 0 0 0 0 0 0 PRESSAVG: 975000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 975000 0 0 0 0 0 0 0 0 0 TIMING: 975000 CPU: 3855.85, 0.00395196/step Wall: 3855.85, 0.00395196/step, 1.67409 hours remaining, 113.171875 MB of memory in use. ENERGY: 975000 663.6989 1781.2394 2011.3001 100.8164 2.5135 -1084.4337 0.0000 0.0000 2721.7067 6196.8412 300.6201 3475.1345 6228.6376 297.9093 PRESSURE: 975200 0 0 0 0 0 0 0 0 0 GPRESSURE: 975200 0 0 0 0 0 0 0 0 0 PRESSAVG: 975200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 975200 0 0 0 0 0 0 0 0 0 TIMING: 975200 CPU: 3856.64, 0.003953/step Wall: 3856.64, 0.003953/step, 1.67431 hours remaining, 113.171875 MB of memory in use. ENERGY: 975200 651.3194 1808.3689 1986.9184 109.0004 3.5077 -1097.7944 0.0000 0.0000 2701.9534 6163.2738 298.4383 3461.3204 6198.8105 297.0333 PRESSURE: 975400 0 0 0 0 0 0 0 0 0 GPRESSURE: 975400 0 0 0 0 0 0 0 0 0 PRESSAVG: 975400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 975400 0 0 0 0 0 0 0 0 0 TIMING: 975400 CPU: 3857.43, 0.00395409/step Wall: 3857.43, 0.00395409/step, 1.67456 hours remaining, 113.171875 MB of memory in use. ENERGY: 975400 676.7922 1850.7724 2002.0840 104.4042 3.1973 -1044.1632 0.0000 0.0000 2624.7890 6217.8758 289.9153 3593.0868 6247.2263 297.3715 PRESSURE: 975600 0 0 0 0 0 0 0 0 0 GPRESSURE: 975600 0 0 0 0 0 0 0 0 0 PRESSAVG: 975600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 975600 0 0 0 0 0 0 0 0 0 TIMING: 975600 CPU: 3858.22, 0.00394639/step Wall: 3858.22, 0.00394639/step, 1.67107 hours remaining, 113.171875 MB of memory in use. ENERGY: 975600 636.7773 1829.4623 2000.0316 105.8071 3.3267 -1066.1710 0.0000 0.0000 2694.1433 6203.3773 297.5756 3509.2339 6236.6076 298.8339 PRESSURE: 975800 0 0 0 0 0 0 0 0 0 GPRESSURE: 975800 0 0 0 0 0 0 0 0 0 PRESSAVG: 975800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 975800 0 0 0 0 0 0 0 0 0 TIMING: 975800 CPU: 3859.01, 0.00396091/step Wall: 3859.01, 0.00396091/step, 1.677 hours remaining, 113.171875 MB of memory in use. ENERGY: 975800 632.7802 1827.6092 1971.7783 105.3995 2.5492 -1045.8259 0.0000 0.0000 2642.9654 6137.2559 291.9229 3494.2906 6166.9043 297.1370 PRESSURE: 976000 0 0 0 0 0 0 0 0 0 GPRESSURE: 976000 0 0 0 0 0 0 0 0 0 PRESSAVG: 976000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 976000 0 0 0 0 0 0 0 0 0 TIMING: 976000 CPU: 3859.8, 0.00395069/step Wall: 3859.8, 0.0039507/step, 1.67246 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 976000 648.0500 1790.8832 2003.8429 105.5018 1.7244 -1054.0580 0.0000 0.0000 2654.4018 6150.3461 293.1861 3495.9443 6185.0563 295.0106 PRESSURE: 976200 0 0 0 0 0 0 0 0 0 GPRESSURE: 976200 0 0 0 0 0 0 0 0 0 PRESSAVG: 976200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 976200 0 0 0 0 0 0 0 0 0 TIMING: 976200 CPU: 3860.59, 0.00395165/step Wall: 3860.59, 0.00395165/step, 1.67265 hours remaining, 113.171875 MB of memory in use. ENERGY: 976200 653.8074 1816.6185 1972.1872 105.2998 3.3585 -1081.6641 0.0000 0.0000 2642.1132 6111.7206 291.8288 3469.6074 6140.4581 294.1442 LDB: ============= START OF LOAD BALANCING ============== 3863.55 LDB: ============== END OF LOAD BALANCING =============== 3863.55 LDB: =============== DONE WITH MIGRATION ================ 3863.55 LDB: ============= START OF LOAD BALANCING ============== 3863.95 LDB: ============== END OF LOAD BALANCING =============== 3863.95 LDB: =============== DONE WITH MIGRATION ================ 3863.95 PRESSURE: 976400 0 0 0 0 0 0 0 0 0 GPRESSURE: 976400 0 0 0 0 0 0 0 0 0 PRESSAVG: 976400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 976400 0 0 0 0 0 0 0 0 0 TIMING: 976400 CPU: 3861.38, 0.00395759/step Wall: 3861.38, 0.00395759/step, 1.67494 hours remaining, 113.171875 MB of memory in use. ENERGY: 976400 635.1602 1852.0348 1974.1855 102.0107 2.7098 -1098.6522 0.0000 0.0000 2646.0751 6113.5239 292.2664 3467.4488 6145.7580 294.0849 PRESSURE: 976600 0 0 0 0 0 0 0 0 0 GPRESSURE: 976600 0 0 0 0 0 0 0 0 0 PRESSAVG: 976600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 976600 0 0 0 0 0 0 0 0 0 TIMING: 976600 CPU: 3862.17, 0.00394778/step Wall: 3862.17, 0.00394778/step, 1.67057 hours remaining, 113.171875 MB of memory in use. ENERGY: 976600 648.4253 1862.4549 1943.8296 100.0609 1.8330 -1074.6427 0.0000 0.0000 2682.0611 6164.0223 296.2411 3481.9611 6194.1116 294.8554 PRESSURE: 976800 0 0 0 0 0 0 0 0 0 GPRESSURE: 976800 0 0 0 0 0 0 0 0 0 PRESSAVG: 976800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 976800 0 0 0 0 0 0 0 0 0 TIMING: 976800 CPU: 3862.96, 0.00395056/step Wall: 3862.96, 0.00395056/step, 1.67153 hours remaining, 113.171875 MB of memory in use. ENERGY: 976800 637.2903 1861.4495 1985.1050 105.1575 2.6628 -1083.8042 0.0000 0.0000 2695.3877 6203.2487 297.7131 3507.8610 6234.8254 297.5343 PRESSURE: 977000 0 0 0 0 0 0 0 0 0 GPRESSURE: 977000 0 0 0 0 0 0 0 0 0 PRESSAVG: 977000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 977000 0 0 0 0 0 0 0 0 0 TIMING: 977000 CPU: 3863.75, 0.00395033/step Wall: 3863.75, 0.00395033/step, 1.67121 hours remaining, 113.171875 MB of memory in use. ENERGY: 977000 664.3304 1848.6744 1993.9115 105.7886 3.1696 -1082.5479 0.0000 0.0000 2673.5893 6206.9159 295.3054 3533.3266 6242.3174 299.9993 PRESSURE: 977200 0 0 0 0 0 0 0 0 0 GPRESSURE: 977200 0 0 0 0 0 0 0 0 0 PRESSAVG: 977200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 977200 0 0 0 0 0 0 0 0 0 TIMING: 977200 CPU: 3864.54, 0.00394967/step Wall: 3864.54, 0.00394967/step, 1.67071 hours remaining, 113.171875 MB of memory in use. ENERGY: 977200 683.6812 1816.5569 1970.9057 106.6432 1.5675 -1054.6012 0.0000 0.0000 2717.3937 6242.1470 300.1437 3524.7533 6275.5014 298.4331 PRESSURE: 977400 0 0 0 0 0 0 0 0 0 GPRESSURE: 977400 0 0 0 0 0 0 0 0 0 PRESSAVG: 977400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 977400 0 0 0 0 0 0 0 0 0 TIMING: 977400 CPU: 3865.33, 0.00395004/step Wall: 3865.33, 0.00395004/step, 1.67065 hours remaining, 113.171875 MB of memory in use. ENERGY: 977400 669.4976 1825.7302 2007.2662 117.3772 2.5969 -1064.4650 0.0000 0.0000 2698.7873 6256.7904 298.0886 3558.0032 6288.2982 299.4086 PRESSURE: 977600 0 0 0 0 0 0 0 0 0 GPRESSURE: 977600 0 0 0 0 0 0 0 0 0 PRESSAVG: 977600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 977600 0 0 0 0 0 0 0 0 0 TIMING: 977600 CPU: 3866.12, 0.00394658/step Wall: 3866.12, 0.00394658/step, 1.66896 hours remaining, 113.171875 MB of memory in use. ENERGY: 977600 654.8441 1811.7161 1979.1035 113.8015 3.2021 -1106.3747 0.0000 0.0000 2752.4866 6208.7791 304.0198 3456.2925 6241.0225 301.1931 PRESSURE: 977800 0 0 0 0 0 0 0 0 0 GPRESSURE: 977800 0 0 0 0 0 0 0 0 0 PRESSAVG: 977800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 977800 0 0 0 0 0 0 0 0 0 TIMING: 977800 CPU: 3866.91, 0.00395015/step Wall: 3866.91, 0.00395015/step, 1.67025 hours remaining, 113.171875 MB of memory in use. ENERGY: 977800 658.7169 1819.9627 1963.8741 96.5817 2.5404 -1078.0148 0.0000 0.0000 2749.0597 6212.7208 303.6413 3463.6611 6246.5419 298.8681 PRESSURE: 978000 0 0 0 0 0 0 0 0 0 GPRESSURE: 978000 0 0 0 0 0 0 0 0 0 PRESSAVG: 978000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 978000 0 0 0 0 0 0 0 0 0 TIMING: 978000 CPU: 3867.7, 0.0039508/step Wall: 3867.7, 0.0039508/step, 1.67031 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 978000 660.2304 1909.5918 1979.5440 106.9571 3.1661 -1065.2009 0.0000 0.0000 2666.7682 6261.0568 294.5520 3594.2886 6294.3295 301.0585 PRESSURE: 978200 0 0 0 0 0 0 0 0 0 GPRESSURE: 978200 0 0 0 0 0 0 0 0 0 PRESSAVG: 978200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 978200 0 0 0 0 0 0 0 0 0 TIMING: 978200 CPU: 3868.49, 0.00395112/step Wall: 3868.49, 0.00395112/step, 1.67023 hours remaining, 113.171875 MB of memory in use. ENERGY: 978200 677.0759 1793.3577 1974.2544 117.6865 3.1602 -1061.5009 0.0000 0.0000 2753.5194 6257.5532 304.1339 3504.0338 6291.6510 299.7512 PRESSURE: 978400 0 0 0 0 0 0 0 0 0 GPRESSURE: 978400 0 0 0 0 0 0 0 0 0 PRESSAVG: 978400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 978400 0 0 0 0 0 0 0 0 0 TIMING: 978400 CPU: 3869.28, 0.00395041/step Wall: 3869.28, 0.00395041/step, 1.66971 hours remaining, 113.171875 MB of memory in use. ENERGY: 978400 642.5605 1824.7946 2022.3022 112.8374 3.2885 -1076.4545 0.0000 0.0000 2685.3252 6214.6538 296.6016 3529.3286 6248.5339 299.4647 PRESSURE: 978600 0 0 0 0 0 0 0 0 0 GPRESSURE: 978600 0 0 0 0 0 0 0 0 0 PRESSAVG: 978600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 978600 0 0 0 0 0 0 0 0 0 TIMING: 978600 CPU: 3870.07, 0.00394621/step Wall: 3870.07, 0.00394621/step, 1.66771 hours remaining, 113.171875 MB of memory in use. ENERGY: 978600 652.4810 1863.7082 1969.0189 108.5558 3.4302 -1092.9552 0.0000 0.0000 2747.1057 6251.3445 303.4255 3504.2388 6283.4888 299.8739 PRESSURE: 978800 0 0 0 0 0 0 0 0 0 GPRESSURE: 978800 0 0 0 0 0 0 0 0 0 PRESSAVG: 978800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 978800 0 0 0 0 0 0 0 0 0 TIMING: 978800 CPU: 3870.86, 0.00395205/step Wall: 3870.86, 0.00395205/step, 1.66996 hours remaining, 113.171875 MB of memory in use. ENERGY: 978800 645.6131 1876.5302 1985.2214 110.4159 2.2270 -1086.9101 0.0000 0.0000 2728.0299 6261.1276 301.3185 3533.0976 6292.6204 300.8144 PRESSURE: 979000 0 0 0 0 0 0 0 0 0 GPRESSURE: 979000 0 0 0 0 0 0 0 0 0 PRESSAVG: 979000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 979000 0 0 0 0 0 0 0 0 0 TIMING: 979000 CPU: 3871.65, 0.00395258/step Wall: 3871.65, 0.00395258/step, 1.66996 hours remaining, 113.171875 MB of memory in use. ENERGY: 979000 652.2956 1853.5237 1943.3385 103.5447 2.7926 -1049.7361 0.0000 0.0000 2692.1079 6197.8670 297.3508 3505.7590 6228.0887 298.9542 PRESSURE: 979200 0 0 0 0 0 0 0 0 0 GPRESSURE: 979200 0 0 0 0 0 0 0 0 0 PRESSAVG: 979200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 979200 0 0 0 0 0 0 0 0 0 TIMING: 979200 CPU: 3872.44, 0.00395072/step Wall: 3872.44, 0.00395072/step, 1.66896 hours remaining, 113.171875 MB of memory in use. ENERGY: 979200 653.4497 1845.2327 1971.9747 126.7795 3.4001 -1057.7777 0.0000 0.0000 2686.8575 6229.9165 296.7709 3543.0590 6263.4560 297.1138 PRESSURE: 979400 0 0 0 0 0 0 0 0 0 GPRESSURE: 979400 0 0 0 0 0 0 0 0 0 PRESSAVG: 979400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 979400 0 0 0 0 0 0 0 0 0 TIMING: 979400 CPU: 3873.23, 0.00394727/step Wall: 3873.23, 0.00394727/step, 1.66728 hours remaining, 113.171875 MB of memory in use. ENERGY: 979400 664.5144 1828.4576 1986.2142 106.5953 4.2280 -1054.3662 0.0000 0.0000 2763.4860 6299.1294 305.2347 3535.6434 6333.5258 301.6028 PRESSURE: 979600 0 0 0 0 0 0 0 0 0 GPRESSURE: 979600 0 0 0 0 0 0 0 0 0 PRESSAVG: 979600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 979600 0 0 0 0 0 0 0 0 0 TIMING: 979600 CPU: 3874.02, 0.0039512/step Wall: 3874.02, 0.0039512/step, 1.66872 hours remaining, 113.171875 MB of memory in use. ENERGY: 979600 693.5927 1793.4073 1989.0799 109.4034 4.2879 -1026.2291 0.0000 0.0000 2768.5661 6332.1081 305.7958 3563.5420 6365.5272 303.1215 PRESSURE: 979800 0 0 0 0 0 0 0 0 0 GPRESSURE: 979800 0 0 0 0 0 0 0 0 0 PRESSAVG: 979800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 979800 0 0 0 0 0 0 0 0 0 TIMING: 979800 CPU: 3874.81, 0.00395069/step Wall: 3874.81, 0.00395069/step, 1.66829 hours remaining, 113.171875 MB of memory in use. ENERGY: 979800 673.4960 1907.0968 1967.1287 110.3330 4.0498 -1071.6503 0.0000 0.0000 2749.7310 6340.1850 303.7154 3590.4540 6369.9239 303.6036 PRESSURE: 980000 0 0 0 0 0 0 0 0 0 GPRESSURE: 980000 0 0 0 0 0 0 0 0 0 PRESSAVG: 980000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 980000 0 0 0 0 0 0 0 0 0 TIMING: 980000 CPU: 3875.61, 0.00395464/step Wall: 3875.61, 0.00395464/step, 1.66974 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 980000 663.2492 1820.3442 1961.2591 100.6073 4.1758 -1046.0663 0.0000 0.0000 2807.9891 6311.5582 310.1502 3503.5692 6346.1630 305.8931 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 980000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 980000 WRITING COORDINATES TO RESTART FILE AT STEP 980000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 980000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 980200 0 0 0 0 0 0 0 0 0 GPRESSURE: 980200 0 0 0 0 0 0 0 0 0 PRESSAVG: 980200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 980200 0 0 0 0 0 0 0 0 0 TIMING: 980200 CPU: 3876.43, 0.0041379/step Wall: 3876.43, 0.0041379/step, 1.74688 hours remaining, 113.171875 MB of memory in use. ENERGY: 980200 656.6931 1861.3810 1973.0028 102.1993 5.0478 -1058.7897 0.0000 0.0000 2763.3464 6302.8807 305.2193 3539.5343 6336.5415 302.7100 LDB: ============= START OF LOAD BALANCING ============== 3879.39 LDB: ============== END OF LOAD BALANCING =============== 3879.39 LDB: =============== DONE WITH MIGRATION ================ 3879.39 LDB: ============= START OF LOAD BALANCING ============== 3879.79 LDB: ============== END OF LOAD BALANCING =============== 3879.79 LDB: =============== DONE WITH MIGRATION ================ 3879.79 PRESSURE: 980400 0 0 0 0 0 0 0 0 0 GPRESSURE: 980400 0 0 0 0 0 0 0 0 0 PRESSAVG: 980400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 980400 0 0 0 0 0 0 0 0 0 TIMING: 980400 CPU: 3877.22, 0.00395266/step Wall: 3877.22, 0.00395266/step, 1.66846 hours remaining, 113.171875 MB of memory in use. ENERGY: 980400 677.9088 1847.8123 1978.5669 104.0285 3.4677 -1043.0689 0.0000 0.0000 2797.4759 6366.1912 308.9890 3568.7153 6398.1400 304.4353 PRESSURE: 980600 0 0 0 0 0 0 0 0 0 GPRESSURE: 980600 0 0 0 0 0 0 0 0 0 PRESSAVG: 980600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 980600 0 0 0 0 0 0 0 0 0 TIMING: 980600 CPU: 3878.01, 0.00395207/step Wall: 3878.01, 0.00395207/step, 1.66799 hours remaining, 113.171875 MB of memory in use. ENERGY: 980600 674.3862 1869.5670 1979.5399 108.6921 3.9290 -1013.6850 0.0000 0.0000 2725.4692 6347.8985 301.0357 3622.4293 6378.1872 306.9280 PRESSURE: 980800 0 0 0 0 0 0 0 0 0 GPRESSURE: 980800 0 0 0 0 0 0 0 0 0 PRESSAVG: 980800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 980800 0 0 0 0 0 0 0 0 0 TIMING: 980800 CPU: 3878.8, 0.00395062/step Wall: 3878.8, 0.00395062/step, 1.66716 hours remaining, 113.171875 MB of memory in use. ENERGY: 980800 654.9083 1818.7520 1985.8334 114.6761 4.0615 -1033.7855 0.0000 0.0000 2748.1943 6292.6401 303.5457 3544.4459 6328.4052 304.6752 PRESSURE: 981000 0 0 0 0 0 0 0 0 0 GPRESSURE: 981000 0 0 0 0 0 0 0 0 0 PRESSAVG: 981000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 981000 0 0 0 0 0 0 0 0 0 TIMING: 981000 CPU: 3879.59, 0.00395144/step Wall: 3879.59, 0.00395144/step, 1.66729 hours remaining, 113.171875 MB of memory in use. ENERGY: 981000 671.9327 1857.2160 2006.0513 112.6582 3.3672 -1070.7784 0.0000 0.0000 2783.9191 6364.3661 307.4916 3580.4470 6395.2640 306.2740 PRESSURE: 981200 0 0 0 0 0 0 0 0 0 GPRESSURE: 981200 0 0 0 0 0 0 0 0 0 PRESSAVG: 981200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 981200 0 0 0 0 0 0 0 0 0 TIMING: 981200 CPU: 3880.38, 0.00395023/step Wall: 3880.38, 0.00395023/step, 1.66656 hours remaining, 113.171875 MB of memory in use. ENERGY: 981200 675.2118 1863.6357 1975.4112 104.1013 4.4749 -1083.5307 0.0000 0.0000 2758.6249 6297.9292 304.6978 3539.3043 6331.8888 304.6143 PRESSURE: 981400 0 0 0 0 0 0 0 0 0 GPRESSURE: 981400 0 0 0 0 0 0 0 0 0 PRESSAVG: 981400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 981400 0 0 0 0 0 0 0 0 0 TIMING: 981400 CPU: 3881.17, 0.00394879/step Wall: 3881.17, 0.00394879/step, 1.66573 hours remaining, 113.171875 MB of memory in use. ENERGY: 981400 640.9754 1814.1746 2011.5612 93.6252 4.9516 -1047.1042 0.0000 0.0000 2733.4374 6251.6212 301.9158 3518.1838 6285.3090 302.2479 PRESSURE: 981600 0 0 0 0 0 0 0 0 0 GPRESSURE: 981600 0 0 0 0 0 0 0 0 0 PRESSAVG: 981600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 981600 0 0 0 0 0 0 0 0 0 TIMING: 981600 CPU: 3881.96, 0.00395194/step Wall: 3881.96, 0.00395194/step, 1.66684 hours remaining, 113.171875 MB of memory in use. ENERGY: 981600 636.9566 1867.3712 1976.4654 107.8153 4.8647 -1044.9956 0.0000 0.0000 2727.6242 6276.1019 301.2737 3548.4777 6305.6458 301.6823 PRESSURE: 981800 0 0 0 0 0 0 0 0 0 GPRESSURE: 981800 0 0 0 0 0 0 0 0 0 PRESSAVG: 981800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 981800 0 0 0 0 0 0 0 0 0 TIMING: 981800 CPU: 3882.76, 0.00396006/step Wall: 3882.76, 0.00396006/step, 1.67005 hours remaining, 113.171875 MB of memory in use. ENERGY: 981800 639.8819 1828.3212 1981.9120 109.9456 4.0186 -1008.7237 0.0000 0.0000 2736.0564 6291.4121 302.2051 3555.3556 6324.4849 301.1673 PRESSURE: 982000 0 0 0 0 0 0 0 0 0 GPRESSURE: 982000 0 0 0 0 0 0 0 0 0 PRESSAVG: 982000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 982000 0 0 0 0 0 0 0 0 0 TIMING: 982000 CPU: 3883.55, 0.00395385/step Wall: 3883.55, 0.00395385/step, 1.66721 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 982000 662.0749 1851.8684 1963.3755 110.9217 3.8862 -1082.8541 0.0000 0.0000 2751.1507 6260.4233 303.8723 3509.2726 6295.1487 302.0690 PRESSURE: 982200 0 0 0 0 0 0 0 0 0 GPRESSURE: 982200 0 0 0 0 0 0 0 0 0 PRESSAVG: 982200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 982200 0 0 0 0 0 0 0 0 0 TIMING: 982200 CPU: 3884.34, 0.00395462/step Wall: 3884.34, 0.00395462/step, 1.66731 hours remaining, 113.171875 MB of memory in use. ENERGY: 982200 679.3537 1815.4032 1960.1189 111.5272 3.3630 -1063.3445 0.0000 0.0000 2736.4983 6242.9198 302.2539 3506.4215 6277.5056 301.3645 PRESSURE: 982400 0 0 0 0 0 0 0 0 0 GPRESSURE: 982400 0 0 0 0 0 0 0 0 0 PRESSAVG: 982400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 982400 0 0 0 0 0 0 0 0 0 TIMING: 982400 CPU: 3885.13, 0.00394728/step Wall: 3885.13, 0.00394728/step, 1.664 hours remaining, 113.171875 MB of memory in use. ENERGY: 982400 660.1633 1792.2366 1994.2700 103.4443 2.8342 -1061.8485 0.0000 0.0000 2729.4137 6220.5137 301.4713 3491.1000 6253.6976 299.2467 PRESSURE: 982600 0 0 0 0 0 0 0 0 0 GPRESSURE: 982600 0 0 0 0 0 0 0 0 0 PRESSAVG: 982600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 982600 0 0 0 0 0 0 0 0 0 TIMING: 982600 CPU: 3885.92, 0.00395272/step Wall: 3885.92, 0.00395272/step, 1.66607 hours remaining, 113.171875 MB of memory in use. ENERGY: 982600 667.2965 1889.6135 1973.9521 97.6184 1.9761 -1114.7484 0.0000 0.0000 2692.5943 6208.3025 297.4045 3515.7082 6241.6034 298.0814 PRESSURE: 982800 0 0 0 0 0 0 0 0 0 GPRESSURE: 982800 0 0 0 0 0 0 0 0 0 PRESSAVG: 982800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 982800 0 0 0 0 0 0 0 0 0 TIMING: 982800 CPU: 3886.71, 0.00395413/step Wall: 3886.71, 0.00395413/step, 1.66644 hours remaining, 113.171875 MB of memory in use. ENERGY: 982800 622.1497 1883.9037 1964.1678 105.2534 2.6892 -1045.3615 0.0000 0.0000 2705.9352 6238.7376 298.8781 3532.8023 6270.1089 298.9020 PRESSURE: 983000 0 0 0 0 0 0 0 0 0 GPRESSURE: 983000 0 0 0 0 0 0 0 0 0 PRESSAVG: 983000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 983000 0 0 0 0 0 0 0 0 0 TIMING: 983000 CPU: 3887.5, 0.00395357/step Wall: 3887.5, 0.00395357/step, 1.66599 hours remaining, 113.171875 MB of memory in use. ENERGY: 983000 672.1567 1829.4922 1989.0783 101.3665 2.8878 -1045.0133 0.0000 0.0000 2717.7264 6267.6946 300.1805 3549.9682 6301.8712 300.9587 PRESSURE: 983200 0 0 0 0 0 0 0 0 0 GPRESSURE: 983200 0 0 0 0 0 0 0 0 0 PRESSAVG: 983200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 983200 0 0 0 0 0 0 0 0 0 TIMING: 983200 CPU: 3888.29, 0.0039479/step Wall: 3888.29, 0.0039479/step, 1.66338 hours remaining, 113.171875 MB of memory in use. ENERGY: 983200 672.0625 1872.3789 1987.5510 109.6093 2.1362 -1076.7076 0.0000 0.0000 2702.2296 6269.2600 298.4688 3567.0304 6301.5708 301.6461 PRESSURE: 983400 0 0 0 0 0 0 0 0 0 GPRESSURE: 983400 0 0 0 0 0 0 0 0 0 PRESSAVG: 983400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 983400 0 0 0 0 0 0 0 0 0 TIMING: 983400 CPU: 3889.08, 0.00395318/step Wall: 3889.08, 0.00395318/step, 1.66539 hours remaining, 113.171875 MB of memory in use. ENERGY: 983400 661.6855 1824.8992 1976.0890 104.9775 3.8342 -1079.4004 0.0000 0.0000 2770.7751 6262.8601 306.0398 3492.0850 6297.6123 299.8179 PRESSURE: 983600 0 0 0 0 0 0 0 0 0 GPRESSURE: 983600 0 0 0 0 0 0 0 0 0 PRESSAVG: 983600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 983600 0 0 0 0 0 0 0 0 0 TIMING: 983600 CPU: 3889.87, 0.00395165/step Wall: 3889.87, 0.00395165/step, 1.66452 hours remaining, 113.171875 MB of memory in use. ENERGY: 983600 678.8406 1853.3435 1972.3042 117.9304 3.2391 -1076.2683 0.0000 0.0000 2721.3518 6270.7412 300.5809 3549.3895 6305.4670 301.1087 PRESSURE: 983800 0 0 0 0 0 0 0 0 0 GPRESSURE: 983800 0 0 0 0 0 0 0 0 0 PRESSAVG: 983800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 983800 0 0 0 0 0 0 0 0 0 TIMING: 983800 CPU: 3890.66, 0.00395274/step Wall: 3890.66, 0.00395274/step, 1.66476 hours remaining, 113.171875 MB of memory in use. ENERGY: 983800 655.1362 1873.5634 1988.4185 101.7688 3.2737 -1079.0973 0.0000 0.0000 2750.0907 6293.1539 303.7552 3543.0632 6326.8372 304.0566 PRESSURE: 984000 0 0 0 0 0 0 0 0 0 GPRESSURE: 984000 0 0 0 0 0 0 0 0 0 PRESSAVG: 984000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 984000 0 0 0 0 0 0 0 0 0 TIMING: 984000 CPU: 3891.45, 0.00395278/step Wall: 3891.45, 0.00395278/step, 1.66456 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 984000 670.6694 1873.3192 1996.2128 104.9374 2.0502 -1066.5091 0.0000 0.0000 2728.7047 6309.3846 301.3930 3580.6799 6340.6467 303.6321 PRESSURE: 984200 0 0 0 0 0 0 0 0 0 GPRESSURE: 984200 0 0 0 0 0 0 0 0 0 PRESSAVG: 984200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 984200 0 0 0 0 0 0 0 0 0 TIMING: 984200 CPU: 3892.24, 0.00394668/step Wall: 3892.24, 0.00394668/step, 1.66177 hours remaining, 113.171875 MB of memory in use. ENERGY: 984200 632.8720 1818.7620 2010.7236 116.4503 4.4274 -1052.8378 0.0000 0.0000 2778.3891 6308.7867 306.8808 3530.3975 6346.5097 302.2453 LDB: ============= START OF LOAD BALANCING ============== 3895.2 LDB: ============== END OF LOAD BALANCING =============== 3895.2 LDB: =============== DONE WITH MIGRATION ================ 3895.2 LDB: ============= START OF LOAD BALANCING ============== 3895.6 LDB: ============== END OF LOAD BALANCING =============== 3895.6 LDB: =============== DONE WITH MIGRATION ================ 3895.6 PRESSURE: 984400 0 0 0 0 0 0 0 0 0 GPRESSURE: 984400 0 0 0 0 0 0 0 0 0 PRESSAVG: 984400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 984400 0 0 0 0 0 0 0 0 0 TIMING: 984400 CPU: 3893.03, 0.00395663/step Wall: 3893.03, 0.00395663/step, 1.66574 hours remaining, 113.171875 MB of memory in use. ENERGY: 984400 678.2353 1849.5265 2006.3828 110.8686 3.7347 -1067.2177 0.0000 0.0000 2711.5342 6293.0644 299.4965 3581.5301 6323.7984 304.0425 PRESSURE: 984600 0 0 0 0 0 0 0 0 0 GPRESSURE: 984600 0 0 0 0 0 0 0 0 0 PRESSAVG: 984600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 984600 0 0 0 0 0 0 0 0 0 TIMING: 984600 CPU: 3893.82, 0.00395185/step Wall: 3893.82, 0.00395185/step, 1.66351 hours remaining, 113.171875 MB of memory in use. ENERGY: 984600 656.7174 1829.0436 1990.5205 108.0168 3.6494 -1085.0076 0.0000 0.0000 2785.9626 6288.9028 307.7173 3502.9402 6322.8018 302.3719 PRESSURE: 984800 0 0 0 0 0 0 0 0 0 GPRESSURE: 984800 0 0 0 0 0 0 0 0 0 PRESSAVG: 984800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 984800 0 0 0 0 0 0 0 0 0 TIMING: 984800 CPU: 3894.61, 0.00395205/step Wall: 3894.61, 0.00395206/step, 1.66338 hours remaining, 113.171875 MB of memory in use. ENERGY: 984800 630.9434 1886.5892 2005.6292 112.9656 3.5006 -1049.9020 0.0000 0.0000 2676.6080 6266.3340 295.6388 3589.7260 6296.7887 301.2381 PRESSURE: 985000 0 0 0 0 0 0 0 0 0 GPRESSURE: 985000 0 0 0 0 0 0 0 0 0 PRESSAVG: 985000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 985000 0 0 0 0 0 0 0 0 0 TIMING: 985000 CPU: 3895.4, 0.00395222/step Wall: 3895.4, 0.00395222/step, 1.66322 hours remaining, 113.171875 MB of memory in use. ENERGY: 985000 628.2837 1879.9967 1987.6001 112.4969 2.6376 -1048.0275 0.0000 0.0000 2699.2870 6262.2745 298.1438 3562.9875 6295.5640 300.7072 PRESSURE: 985200 0 0 0 0 0 0 0 0 0 GPRESSURE: 985200 0 0 0 0 0 0 0 0 0 PRESSAVG: 985200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 985200 0 0 0 0 0 0 0 0 0 TIMING: 985200 CPU: 3896.19, 0.00394732/step Wall: 3896.19, 0.00394732/step, 1.66094 hours remaining, 113.171875 MB of memory in use. ENERGY: 985200 635.7990 1848.2717 1987.4446 103.3807 3.5771 -1054.0033 0.0000 0.0000 2746.3932 6270.8630 303.3468 3524.4698 6304.6785 299.2544 PRESSURE: 985400 0 0 0 0 0 0 0 0 0 GPRESSURE: 985400 0 0 0 0 0 0 0 0 0 PRESSAVG: 985400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 985400 0 0 0 0 0 0 0 0 0 TIMING: 985400 CPU: 3896.98, 0.00395157/step Wall: 3896.98, 0.00395157/step, 1.66251 hours remaining, 113.171875 MB of memory in use. ENERGY: 985400 621.2359 1801.1287 1979.0742 108.3842 2.5642 -1011.0274 0.0000 0.0000 2765.0561 6266.4158 305.4081 3501.3597 6300.7741 302.4793 PRESSURE: 985600 0 0 0 0 0 0 0 0 0 GPRESSURE: 985600 0 0 0 0 0 0 0 0 0 PRESSAVG: 985600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 985600 0 0 0 0 0 0 0 0 0 TIMING: 985600 CPU: 3897.77, 0.0039511/step Wall: 3897.77, 0.0039511/step, 1.6621 hours remaining, 113.171875 MB of memory in use. ENERGY: 985600 654.1090 1782.3031 1992.9052 102.7580 2.4849 -1047.8657 0.0000 0.0000 2724.4624 6211.1568 300.9245 3486.6944 6243.7226 299.7365 PRESSURE: 985800 0 0 0 0 0 0 0 0 0 GPRESSURE: 985800 0 0 0 0 0 0 0 0 0 PRESSAVG: 985800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 985800 0 0 0 0 0 0 0 0 0 TIMING: 985800 CPU: 3898.56, 0.00395723/step Wall: 3898.56, 0.00395723/step, 1.66446 hours remaining, 113.171875 MB of memory in use. ENERGY: 985800 666.8624 1879.9695 1986.1104 106.2562 3.0269 -1058.9174 0.0000 0.0000 2680.1207 6263.4287 296.0268 3583.3080 6294.0801 299.0351 PRESSURE: 986000 0 0 0 0 0 0 0 0 0 GPRESSURE: 986000 0 0 0 0 0 0 0 0 0 PRESSAVG: 986000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 986000 0 0 0 0 0 0 0 0 0 TIMING: 986000 CPU: 3899.35, 0.0039507/step Wall: 3899.35, 0.0039507/step, 1.66149 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 986000 669.3085 1819.1905 2001.4158 122.2073 2.7856 -1037.5059 0.0000 0.0000 2713.7916 6291.1934 299.7458 3577.4018 6322.7882 301.7534 PRESSURE: 986200 0 0 0 0 0 0 0 0 0 GPRESSURE: 986200 0 0 0 0 0 0 0 0 0 PRESSAVG: 986200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 986200 0 0 0 0 0 0 0 0 0 TIMING: 986200 CPU: 3900.14, 0.00394618/step Wall: 3900.14, 0.00394618/step, 1.65937 hours remaining, 113.171875 MB of memory in use. ENERGY: 986200 669.8095 1813.5814 1981.6692 113.2764 3.5082 -1062.3372 0.0000 0.0000 2768.1334 6287.6409 305.7480 3519.5075 6324.7006 302.6178 PRESSURE: 986400 0 0 0 0 0 0 0 0 0 GPRESSURE: 986400 0 0 0 0 0 0 0 0 0 PRESSAVG: 986400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 986400 0 0 0 0 0 0 0 0 0 TIMING: 986400 CPU: 3900.93, 0.00395054/step Wall: 3900.93, 0.00395054/step, 1.66098 hours remaining, 113.171875 MB of memory in use. ENERGY: 986400 666.7237 1862.6225 1977.9858 106.1308 3.1571 -1074.1942 0.0000 0.0000 2751.3367 6293.7625 303.8928 3542.4258 6326.0141 302.7860 PRESSURE: 986600 0 0 0 0 0 0 0 0 0 GPRESSURE: 986600 0 0 0 0 0 0 0 0 0 PRESSAVG: 986600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 986600 0 0 0 0 0 0 0 0 0 TIMING: 986600 CPU: 3901.72, 0.00395177/step Wall: 3901.72, 0.00395177/step, 1.66128 hours remaining, 113.171875 MB of memory in use. ENERGY: 986600 645.1496 1860.2660 1995.9819 103.3215 2.8053 -1079.2614 0.0000 0.0000 2751.0229 6279.2858 303.8581 3528.2629 6312.6014 303.8137 PRESSURE: 986800 0 0 0 0 0 0 0 0 0 GPRESSURE: 986800 0 0 0 0 0 0 0 0 0 PRESSAVG: 986800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 986800 0 0 0 0 0 0 0 0 0 TIMING: 986800 CPU: 3902.51, 0.00395015/step Wall: 3902.51, 0.00395015/step, 1.66038 hours remaining, 113.171875 MB of memory in use. ENERGY: 986800 667.2963 1822.7776 2021.9055 114.3006 2.4524 -1088.8355 0.0000 0.0000 2713.5666 6253.4636 299.7210 3539.8969 6284.6157 302.4707 PRESSURE: 987000 0 0 0 0 0 0 0 0 0 GPRESSURE: 987000 0 0 0 0 0 0 0 0 0 PRESSAVG: 987000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 987000 0 0 0 0 0 0 0 0 0 TIMING: 987000 CPU: 3903.3, 0.00394673/step Wall: 3903.3, 0.00394673/step, 1.65872 hours remaining, 113.171875 MB of memory in use. ENERGY: 987000 698.3677 1920.7226 1968.6311 115.4451 4.3828 -1050.3186 0.0000 0.0000 2671.6164 6328.8472 295.0875 3657.2308 6359.1525 303.9002 PRESSURE: 987200 0 0 0 0 0 0 0 0 0 GPRESSURE: 987200 0 0 0 0 0 0 0 0 0 PRESSAVG: 987200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 987200 0 0 0 0 0 0 0 0 0 TIMING: 987200 CPU: 3904.09, 0.00394992/step Wall: 3904.09, 0.00394992/step, 1.65984 hours remaining, 113.171875 MB of memory in use. ENERGY: 987200 720.6557 1824.7673 1945.6642 119.0668 3.7715 -1079.8271 0.0000 0.0000 2741.8010 6275.8993 302.8396 3534.0984 6308.8148 303.7530 PRESSURE: 987400 0 0 0 0 0 0 0 0 0 GPRESSURE: 987400 0 0 0 0 0 0 0 0 0 PRESSAVG: 987400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 987400 0 0 0 0 0 0 0 0 0 TIMING: 987400 CPU: 3904.88, 0.00395013/step Wall: 3904.88, 0.00395013/step, 1.65971 hours remaining, 113.171875 MB of memory in use. ENERGY: 987400 682.4173 1864.7999 1975.8760 109.0693 4.9198 -1061.8079 0.0000 0.0000 2705.8574 6281.1318 298.8695 3575.2744 6315.6295 303.5147 PRESSURE: 987600 0 0 0 0 0 0 0 0 0 GPRESSURE: 987600 0 0 0 0 0 0 0 0 0 PRESSAVG: 987600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 987600 0 0 0 0 0 0 0 0 0 TIMING: 987600 CPU: 3905.67, 0.00395015/step Wall: 3905.67, 0.00395015/step, 1.6595 hours remaining, 113.171875 MB of memory in use. ENERGY: 987600 620.9100 1872.0383 1988.0351 98.3371 2.6466 -1036.6709 0.0000 0.0000 2694.2689 6239.5652 297.5895 3545.2963 6272.1633 301.5935 PRESSURE: 987800 0 0 0 0 0 0 0 0 0 GPRESSURE: 987800 0 0 0 0 0 0 0 0 0 PRESSAVG: 987800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 987800 0 0 0 0 0 0 0 0 0 TIMING: 987800 CPU: 3906.46, 0.00395048/step Wall: 3906.46, 0.00395047/step, 1.65942 hours remaining, 113.171875 MB of memory in use. ENERGY: 987800 605.6059 1834.4862 1961.1365 119.6451 4.6281 -1067.5300 0.0000 0.0000 2701.7487 6159.7204 298.4157 3457.9716 6192.6584 297.7499 PRESSURE: 988000 0 0 0 0 0 0 0 0 0 GPRESSURE: 988000 0 0 0 0 0 0 0 0 0 PRESSAVG: 988000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 988000 0 0 0 0 0 0 0 0 0 TIMING: 988000 CPU: 3907.25, 0.00394707/step Wall: 3907.25, 0.00394708/step, 1.65777 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 988000 672.0721 1800.3339 1958.4591 115.1419 3.9773 -1059.9163 0.0000 0.0000 2683.9170 6173.9850 296.4461 3490.0680 6204.7349 297.0937 PRESSURE: 988200 0 0 0 0 0 0 0 0 0 GPRESSURE: 988200 0 0 0 0 0 0 0 0 0 PRESSAVG: 988200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 988200 0 0 0 0 0 0 0 0 0 TIMING: 988200 CPU: 3908.04, 0.00394924/step Wall: 3908.04, 0.00394924/step, 1.65846 hours remaining, 113.171875 MB of memory in use. ENERGY: 988200 661.2944 1815.7056 1974.2931 106.6472 2.9192 -1063.5146 0.0000 0.0000 2681.1753 6178.5202 296.1433 3497.3449 6210.8110 297.4946 LDB: ============= START OF LOAD BALANCING ============== 3911 LDB: ============== END OF LOAD BALANCING =============== 3911 LDB: =============== DONE WITH MIGRATION ================ 3911 LDB: ============= START OF LOAD BALANCING ============== 3911.4 LDB: ============== END OF LOAD BALANCING =============== 3911.4 LDB: =============== DONE WITH MIGRATION ================ 3911.4 PRESSURE: 988400 0 0 0 0 0 0 0 0 0 GPRESSURE: 988400 0 0 0 0 0 0 0 0 0 PRESSAVG: 988400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 988400 0 0 0 0 0 0 0 0 0 TIMING: 988400 CPU: 3908.83, 0.00395331/step Wall: 3908.83, 0.00395331/step, 1.65995 hours remaining, 113.171875 MB of memory in use. ENERGY: 988400 627.5785 1791.8348 1977.1195 110.4907 3.7531 -1042.2140 0.0000 0.0000 2698.0746 6166.6372 298.0099 3468.5626 6202.0135 297.3768 PRESSURE: 988600 0 0 0 0 0 0 0 0 0 GPRESSURE: 988600 0 0 0 0 0 0 0 0 0 PRESSAVG: 988600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 988600 0 0 0 0 0 0 0 0 0 TIMING: 988600 CPU: 3909.62, 0.00394961/step Wall: 3909.62, 0.00394961/step, 1.65818 hours remaining, 113.171875 MB of memory in use. ENERGY: 988600 623.0228 1794.5354 1962.7806 106.9873 5.0375 -1042.3604 0.0000 0.0000 2677.3360 6127.3392 295.7192 3450.0032 6159.3837 296.5970 PRESSURE: 988800 0 0 0 0 0 0 0 0 0 GPRESSURE: 988800 0 0 0 0 0 0 0 0 0 PRESSAVG: 988800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 988800 0 0 0 0 0 0 0 0 0 TIMING: 988800 CPU: 3910.41, 0.00394978/step Wall: 3910.41, 0.00394978/step, 1.65803 hours remaining, 113.171875 MB of memory in use. ENERGY: 988800 636.5014 1855.8189 1957.7224 89.2601 4.1034 -1080.2901 0.0000 0.0000 2723.7898 6186.9058 300.8502 3463.1161 6219.8159 296.2709 PRESSURE: 989000 0 0 0 0 0 0 0 0 0 GPRESSURE: 989000 0 0 0 0 0 0 0 0 0 PRESSAVG: 989000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 989000 0 0 0 0 0 0 0 0 0 TIMING: 989000 CPU: 3911.2, 0.00394799/step Wall: 3911.2, 0.00394799/step, 1.65706 hours remaining, 113.171875 MB of memory in use. ENERGY: 989000 625.7726 1846.0680 2005.9241 106.6825 4.6919 -1095.1063 0.0000 0.0000 2646.2001 6140.2330 292.2802 3494.0329 6169.4726 295.9414 PRESSURE: 989200 0 0 0 0 0 0 0 0 0 GPRESSURE: 989200 0 0 0 0 0 0 0 0 0 PRESSAVG: 989200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 989200 0 0 0 0 0 0 0 0 0 TIMING: 989200 CPU: 3911.99, 0.00395015/step Wall: 3911.99, 0.00395015/step, 1.65774 hours remaining, 113.171875 MB of memory in use. ENERGY: 989200 628.8168 1754.5215 1991.1416 96.1966 6.1940 -1058.4690 0.0000 0.0000 2652.0331 6070.4347 292.9244 3418.4015 6101.6973 293.0317 PRESSURE: 989400 0 0 0 0 0 0 0 0 0 GPRESSURE: 989400 0 0 0 0 0 0 0 0 0 PRESSAVG: 989400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 989400 0 0 0 0 0 0 0 0 0 TIMING: 989400 CPU: 3912.78, 0.00395067/step Wall: 3912.78, 0.00395067/step, 1.65774 hours remaining, 113.171875 MB of memory in use. ENERGY: 989400 602.0235 1805.3074 1941.3174 109.1458 4.9249 -1049.3714 0.0000 0.0000 2643.5737 6056.9213 291.9901 3413.3476 6086.9235 291.3088 PRESSURE: 989600 0 0 0 0 0 0 0 0 0 GPRESSURE: 989600 0 0 0 0 0 0 0 0 0 PRESSAVG: 989600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 989600 0 0 0 0 0 0 0 0 0 TIMING: 989600 CPU: 3913.57, 0.00395024/step Wall: 3913.57, 0.00395023/step, 1.65734 hours remaining, 113.171875 MB of memory in use. ENERGY: 989600 618.9037 1804.3575 1964.2208 97.2042 3.7310 -1100.3346 0.0000 0.0000 2692.6625 6080.7451 297.4121 3388.0826 6112.5193 291.4278 PRESSURE: 989800 0 0 0 0 0 0 0 0 0 GPRESSURE: 989800 0 0 0 0 0 0 0 0 0 PRESSAVG: 989800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 989800 0 0 0 0 0 0 0 0 0 TIMING: 989800 CPU: 3914.36, 0.00395045/step Wall: 3914.36, 0.00395046/step, 1.65722 hours remaining, 113.171875 MB of memory in use. ENERGY: 989800 639.5592 1811.8325 1991.7093 120.5217 4.1465 -1086.0615 0.0000 0.0000 2637.3989 6119.1065 291.3081 3481.7076 6149.0100 292.6123 PRESSURE: 990000 0 0 0 0 0 0 0 0 0 GPRESSURE: 990000 0 0 0 0 0 0 0 0 0 PRESSAVG: 990000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 990000 0 0 0 0 0 0 0 0 0 TIMING: 990000 CPU: 3915.15, 0.0039471/step Wall: 3915.15, 0.0039471/step, 1.65559 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 990000 618.6441 1818.9644 1983.7472 113.0429 5.1997 -1096.1943 0.0000 0.0000 2712.9287 6156.3329 299.6505 3443.4042 6192.1995 296.5265 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 990000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 990000 WRITING COORDINATES TO RESTART FILE AT STEP 990000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 990000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 990200 0 0 0 0 0 0 0 0 0 GPRESSURE: 990200 0 0 0 0 0 0 0 0 0 PRESSAVG: 990200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 990200 0 0 0 0 0 0 0 0 0 TIMING: 990200 CPU: 3916, 0.0042531/step Wall: 3916, 0.0042531/step, 1.7837 hours remaining, 113.171875 MB of memory in use. ENERGY: 990200 656.5664 1824.5677 1994.4786 116.8156 5.3795 -1110.7511 0.0000 0.0000 2641.6703 6128.7270 291.7798 3487.0567 6159.1373 295.5427 PRESSURE: 990400 0 0 0 0 0 0 0 0 0 GPRESSURE: 990400 0 0 0 0 0 0 0 0 0 PRESSAVG: 990400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 990400 0 0 0 0 0 0 0 0 0 TIMING: 990400 CPU: 3916.79, 0.00395047/step Wall: 3916.79, 0.00395047/step, 1.65656 hours remaining, 113.171875 MB of memory in use. ENERGY: 990400 692.9009 1836.4759 1982.1227 119.3815 4.6337 -1081.5993 0.0000 0.0000 2662.0633 6215.9786 294.0323 3553.9153 6248.8289 296.7749 PRESSURE: 990600 0 0 0 0 0 0 0 0 0 GPRESSURE: 990600 0 0 0 0 0 0 0 0 0 PRESSAVG: 990600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 990600 0 0 0 0 0 0 0 0 0 TIMING: 990600 CPU: 3917.58, 0.00395146/step Wall: 3917.58, 0.00395146/step, 1.65676 hours remaining, 113.171875 MB of memory in use. ENERGY: 990600 653.6498 1878.4464 1952.7398 97.2442 3.7571 -1049.0095 0.0000 0.0000 2692.3730 6229.2008 297.3801 3536.8278 6260.3927 300.0513 PRESSURE: 990800 0 0 0 0 0 0 0 0 0 GPRESSURE: 990800 0 0 0 0 0 0 0 0 0 PRESSAVG: 990800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 990800 0 0 0 0 0 0 0 0 0 TIMING: 990800 CPU: 3918.37, 0.00395021/step Wall: 3918.37, 0.00395021/step, 1.65602 hours remaining, 113.171875 MB of memory in use. ENERGY: 990800 668.2621 1854.3611 2009.0888 102.4276 3.3513 -1045.7545 0.0000 0.0000 2663.0008 6254.7371 294.1359 3591.7363 6286.8840 299.4332 PRESSURE: 991000 0 0 0 0 0 0 0 0 0 GPRESSURE: 991000 0 0 0 0 0 0 0 0 0 PRESSAVG: 991000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 991000 0 0 0 0 0 0 0 0 0 TIMING: 991000 CPU: 3919.16, 0.00394845/step Wall: 3919.16, 0.00394845/step, 1.65506 hours remaining, 113.171875 MB of memory in use. ENERGY: 991000 673.3300 1876.8991 1981.0492 109.2489 2.4998 -1084.0964 0.0000 0.0000 2664.9669 6223.8976 294.3530 3558.9307 6254.2645 296.6798 PRESSURE: 991200 0 0 0 0 0 0 0 0 0 GPRESSURE: 991200 0 0 0 0 0 0 0 0 0 PRESSAVG: 991200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 991200 0 0 0 0 0 0 0 0 0 TIMING: 991200 CPU: 3919.95, 0.00395172/step Wall: 3919.95, 0.00395172/step, 1.65621 hours remaining, 113.171875 MB of memory in use. ENERGY: 991200 650.4865 1853.3642 1976.0161 111.5707 2.6597 -1048.3152 0.0000 0.0000 2665.5148 6211.2967 294.4135 3545.7820 6240.6642 296.7152 PRESSURE: 991400 0 0 0 0 0 0 0 0 0 GPRESSURE: 991400 0 0 0 0 0 0 0 0 0 PRESSAVG: 991400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 991400 0 0 0 0 0 0 0 0 0 TIMING: 991400 CPU: 3920.74, 0.00395237/step Wall: 3920.74, 0.00395237/step, 1.65626 hours remaining, 113.171875 MB of memory in use. ENERGY: 991400 638.9167 1809.4733 1972.6656 100.4916 3.6686 -1066.8807 0.0000 0.0000 2669.6977 6128.0330 294.8756 3458.3352 6162.0096 296.5741 PRESSURE: 991600 0 0 0 0 0 0 0 0 0 GPRESSURE: 991600 0 0 0 0 0 0 0 0 0 PRESSAVG: 991600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 991600 0 0 0 0 0 0 0 0 0 TIMING: 991600 CPU: 3921.53, 0.0039528/step Wall: 3921.53, 0.0039528/step, 1.65622 hours remaining, 113.171875 MB of memory in use. ENERGY: 991600 640.7505 1800.9841 1974.9921 102.7973 3.6341 -1095.1359 0.0000 0.0000 2658.0844 6086.1066 293.5928 3428.0222 6118.0548 292.8335 PRESSURE: 991800 0 0 0 0 0 0 0 0 0 GPRESSURE: 991800 0 0 0 0 0 0 0 0 0 PRESSAVG: 991800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 991800 0 0 0 0 0 0 0 0 0 TIMING: 991800 CPU: 3922.32, 0.00394688/step Wall: 3922.32, 0.00394688/step, 1.65352 hours remaining, 113.171875 MB of memory in use. ENERGY: 991800 625.3750 1782.2407 1996.5478 101.4395 2.1974 -1066.1351 0.0000 0.0000 2654.1878 6095.8530 293.1624 3441.6652 6125.8550 291.3660 PRESSURE: 992000 0 0 0 0 0 0 0 0 0 GPRESSURE: 992000 0 0 0 0 0 0 0 0 0 PRESSAVG: 992000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 992000 0 0 0 0 0 0 0 0 0 TIMING: 992000 CPU: 3923.11, 0.00395172/step Wall: 3923.11, 0.00395172/step, 1.65533 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 992000 629.5223 1813.2418 1986.8630 107.2929 3.1534 -1078.6806 0.0000 0.0000 2610.1122 6071.5049 288.2942 3461.3927 6106.0775 290.2374 PRESSURE: 992200 0 0 0 0 0 0 0 0 0 GPRESSURE: 992200 0 0 0 0 0 0 0 0 0 PRESSAVG: 992200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 992200 0 0 0 0 0 0 0 0 0 TIMING: 992200 CPU: 3923.9, 0.0039515/step Wall: 3923.9, 0.0039515/step, 1.65502 hours remaining, 113.171875 MB of memory in use. ENERGY: 992200 641.7174 1815.8132 1939.3057 94.2095 4.1545 -1092.5419 0.0000 0.0000 2672.7494 6075.4079 295.2126 3402.6586 6106.8040 288.6374 LDB: ============= START OF LOAD BALANCING ============== 3926.86 LDB: ============== END OF LOAD BALANCING =============== 3926.86 LDB: =============== DONE WITH MIGRATION ================ 3926.86 LDB: ============= START OF LOAD BALANCING ============== 3927.26 LDB: ============== END OF LOAD BALANCING =============== 3927.26 LDB: =============== DONE WITH MIGRATION ================ 3927.26 PRESSURE: 992400 0 0 0 0 0 0 0 0 0 GPRESSURE: 992400 0 0 0 0 0 0 0 0 0 PRESSAVG: 992400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 992400 0 0 0 0 0 0 0 0 0 TIMING: 992400 CPU: 3924.7, 0.00395517/step Wall: 3924.7, 0.00395517/step, 1.65634 hours remaining, 113.171875 MB of memory in use. ENERGY: 992400 606.4121 1809.7287 1959.0134 106.1073 3.7758 -1055.1540 0.0000 0.0000 2605.9859 6035.8692 287.8384 3429.8833 6068.9754 290.1198 PRESSURE: 992600 0 0 0 0 0 0 0 0 0 GPRESSURE: 992600 0 0 0 0 0 0 0 0 0 PRESSAVG: 992600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 992600 0 0 0 0 0 0 0 0 0 TIMING: 992600 CPU: 3925.49, 0.00395137/step Wall: 3925.49, 0.00395137/step, 1.65453 hours remaining, 113.171875 MB of memory in use. ENERGY: 992600 622.9229 1790.9169 1978.4798 96.0995 5.1844 -1071.3218 0.0000 0.0000 2652.1824 6074.4642 292.9409 3422.2817 6105.6189 289.3003 PRESSURE: 992800 0 0 0 0 0 0 0 0 0 GPRESSURE: 992800 0 0 0 0 0 0 0 0 0 PRESSAVG: 992800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 992800 0 0 0 0 0 0 0 0 0 TIMING: 992800 CPU: 3926.28, 0.00394819/step Wall: 3926.28, 0.00394819/step, 1.65298 hours remaining, 113.171875 MB of memory in use. ENERGY: 992800 644.8315 1796.1835 1987.9977 114.3022 2.1174 -1101.9744 0.0000 0.0000 2663.4942 6106.9520 294.1904 3443.4578 6139.5016 291.6270 PRESSURE: 993000 0 0 0 0 0 0 0 0 0 GPRESSURE: 993000 0 0 0 0 0 0 0 0 0 PRESSAVG: 993000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 993000 0 0 0 0 0 0 0 0 0 TIMING: 993000 CPU: 3927.07, 0.00395232/step Wall: 3927.07, 0.00395232/step, 1.65448 hours remaining, 113.171875 MB of memory in use. ENERGY: 993000 649.1417 1840.4572 1958.2910 114.0295 5.0718 -1102.5554 0.0000 0.0000 2707.4695 6171.9052 299.0475 3464.4358 6206.0596 296.3406 PRESSURE: 993200 0 0 0 0 0 0 0 0 0 GPRESSURE: 993200 0 0 0 0 0 0 0 0 0 PRESSAVG: 993200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 993200 0 0 0 0 0 0 0 0 0 TIMING: 993200 CPU: 3927.86, 0.00394966/step Wall: 3927.86, 0.00394966/step, 1.65315 hours remaining, 113.171875 MB of memory in use. ENERGY: 993200 649.3629 1799.4952 2003.4937 101.0549 4.1417 -1082.2387 0.0000 0.0000 2714.3711 6189.6808 299.8098 3475.3097 6220.4357 297.8721 PRESSURE: 993400 0 0 0 0 0 0 0 0 0 GPRESSURE: 993400 0 0 0 0 0 0 0 0 0 PRESSAVG: 993400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 993400 0 0 0 0 0 0 0 0 0 TIMING: 993400 CPU: 3928.65, 0.00395038/step Wall: 3928.65, 0.00395038/step, 1.65323 hours remaining, 113.171875 MB of memory in use. ENERGY: 993400 663.8486 1787.0609 2000.4809 127.1231 4.4482 -1049.5484 0.0000 0.0000 2690.3022 6223.7155 297.1514 3533.4133 6255.2127 298.0235 PRESSURE: 993600 0 0 0 0 0 0 0 0 0 GPRESSURE: 993600 0 0 0 0 0 0 0 0 0 PRESSAVG: 993600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 993600 0 0 0 0 0 0 0 0 0 TIMING: 993600 CPU: 3929.44, 0.00395088/step Wall: 3929.44, 0.00395088/step, 1.65322 hours remaining, 113.171875 MB of memory in use. ENERGY: 993600 692.5627 1839.6755 1954.8514 95.0627 2.6106 -1072.1638 0.0000 0.0000 2733.0449 6245.6440 301.8724 3512.5992 6280.8920 300.0718 PRESSURE: 993800 0 0 0 0 0 0 0 0 0 GPRESSURE: 993800 0 0 0 0 0 0 0 0 0 PRESSAVG: 993800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 993800 0 0 0 0 0 0 0 0 0 TIMING: 993800 CPU: 3930.23, 0.00394601/step Wall: 3930.23, 0.00394601/step, 1.65097 hours remaining, 113.171875 MB of memory in use. ENERGY: 993800 660.2074 1855.7901 2001.5387 98.7596 2.8064 -1063.9964 0.0000 0.0000 2728.8312 6283.9371 301.4070 3555.1059 6315.0361 301.4463 PRESSURE: 994000 0 0 0 0 0 0 0 0 0 GPRESSURE: 994000 0 0 0 0 0 0 0 0 0 PRESSAVG: 994000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 994000 0 0 0 0 0 0 0 0 0 TIMING: 994000 CPU: 3931.02, 0.0039491/step Wall: 3931.02, 0.0039491/step, 1.65204 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 994000 661.0278 1792.4548 2015.7938 109.4218 3.4080 -1080.2222 0.0000 0.0000 2760.0798 6261.9638 304.8585 3501.8839 6299.0378 303.4341 PRESSURE: 994200 0 0 0 0 0 0 0 0 0 GPRESSURE: 994200 0 0 0 0 0 0 0 0 0 PRESSAVG: 994200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 994200 0 0 0 0 0 0 0 0 0 TIMING: 994200 CPU: 3931.81, 0.00394883/step Wall: 3931.81, 0.00394883/step, 1.65171 hours remaining, 113.171875 MB of memory in use. ENERGY: 994200 691.7754 1798.7181 1987.1723 115.4435 2.6726 -1073.5247 0.0000 0.0000 2726.7617 6249.0188 301.1784 3522.2571 6282.8663 302.3268 PRESSURE: 994400 0 0 0 0 0 0 0 0 0 GPRESSURE: 994400 0 0 0 0 0 0 0 0 0 PRESSAVG: 994400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 994400 0 0 0 0 0 0 0 0 0 TIMING: 994400 CPU: 3932.6, 0.00395061/step Wall: 3932.6, 0.00395061/step, 1.65223 hours remaining, 113.171875 MB of memory in use. ENERGY: 994400 650.5676 1851.0668 1977.3043 98.6069 3.6467 -1063.9074 0.0000 0.0000 2693.3935 6210.6785 297.4928 3517.2850 6243.5367 299.6750 PRESSURE: 994600 0 0 0 0 0 0 0 0 0 GPRESSURE: 994600 0 0 0 0 0 0 0 0 0 PRESSAVG: 994600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 994600 0 0 0 0 0 0 0 0 0 TIMING: 994600 CPU: 3933.39, 0.0039503/step Wall: 3933.39, 0.0039503/step, 1.65189 hours remaining, 113.171875 MB of memory in use. ENERGY: 994600 648.9403 1799.0784 1985.4491 111.4645 3.2490 -1088.2253 0.0000 0.0000 2728.3499 6188.3059 301.3538 3459.9560 6224.4294 298.6386 PRESSURE: 994800 0 0 0 0 0 0 0 0 0 GPRESSURE: 994800 0 0 0 0 0 0 0 0 0 PRESSAVG: 994800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 994800 0 0 0 0 0 0 0 0 0 TIMING: 994800 CPU: 3934.18, 0.00394789/step Wall: 3934.18, 0.00394789/step, 1.65066 hours remaining, 113.171875 MB of memory in use. ENERGY: 994800 620.1955 1805.9817 1970.8793 110.7271 4.1249 -1068.7743 0.0000 0.0000 2719.1361 6162.2703 300.3362 3443.1342 6195.0142 297.1762 PRESSURE: 995000 0 0 0 0 0 0 0 0 0 GPRESSURE: 995000 0 0 0 0 0 0 0 0 0 PRESSAVG: 995000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 995000 0 0 0 0 0 0 0 0 0 TIMING: 995000 CPU: 3934.97, 0.00395024/step Wall: 3934.97, 0.00395024/step, 1.65142 hours remaining, 113.171875 MB of memory in use. ENERGY: 995000 661.1768 1821.4964 1970.7451 110.7863 3.3516 -1056.6029 0.0000 0.0000 2633.4737 6144.4269 290.8745 3510.9532 6176.8683 295.0984 PRESSURE: 995200 0 0 0 0 0 0 0 0 0 GPRESSURE: 995200 0 0 0 0 0 0 0 0 0 PRESSAVG: 995200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 995200 0 0 0 0 0 0 0 0 0 TIMING: 995200 CPU: 3935.76, 0.00395164/step Wall: 3935.76, 0.00395164/step, 1.65179 hours remaining, 113.171875 MB of memory in use. ENERGY: 995200 687.0155 1874.5361 1946.9101 105.6801 1.9338 -1075.8767 0.0000 0.0000 2626.7360 6166.9349 290.1303 3540.1989 6198.5915 296.7058 PRESSURE: 995400 0 0 0 0 0 0 0 0 0 GPRESSURE: 995400 0 0 0 0 0 0 0 0 0 PRESSAVG: 995400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 995400 0 0 0 0 0 0 0 0 0 TIMING: 995400 CPU: 3936.55, 0.00394984/step Wall: 3936.55, 0.00394984/step, 1.65081 hours remaining, 113.171875 MB of memory in use. ENERGY: 995400 655.9725 1875.5041 1953.2359 107.6831 3.3186 -1084.0257 0.0000 0.0000 2725.8529 6237.5414 301.0781 3511.6885 6271.5753 296.9620 PRESSURE: 995600 0 0 0 0 0 0 0 0 0 GPRESSURE: 995600 0 0 0 0 0 0 0 0 0 PRESSAVG: 995600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 995600 0 0 0 0 0 0 0 0 0 TIMING: 995600 CPU: 3937.33, 0.00394594/step Wall: 3937.33, 0.00394594/step, 1.64896 hours remaining, 113.171875 MB of memory in use. ENERGY: 995600 692.4288 1849.3759 1959.8103 120.6062 2.4901 -1033.2726 0.0000 0.0000 2723.2407 6314.6794 300.7895 3591.4387 6348.6336 301.5059 PRESSURE: 995800 0 0 0 0 0 0 0 0 0 GPRESSURE: 995800 0 0 0 0 0 0 0 0 0 PRESSAVG: 995800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 995800 0 0 0 0 0 0 0 0 0 TIMING: 995800 CPU: 3938.12, 0.00394994/step Wall: 3938.12, 0.00394994/step, 1.65042 hours remaining, 113.171875 MB of memory in use. ENERGY: 995800 668.7917 1833.8708 1986.7037 116.6261 2.4277 -1028.7904 0.0000 0.0000 2724.2364 6303.8660 300.8995 3579.6295 6335.6516 302.8637 PRESSURE: 996000 0 0 0 0 0 0 0 0 0 GPRESSURE: 996000 0 0 0 0 0 0 0 0 0 PRESSAVG: 996000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 996000 0 0 0 0 0 0 0 0 0 TIMING: 996000 CPU: 3938.92, 0.00395492/step Wall: 3938.92, 0.00395492/step, 1.65228 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 996000 653.8697 1897.2261 1969.7922 112.3046 3.2455 -1049.7712 0.0000 0.0000 2746.3318 6332.9986 303.3400 3586.6669 6365.8347 304.3348 PRESSURE: 996200 0 0 0 0 0 0 0 0 0 GPRESSURE: 996200 0 0 0 0 0 0 0 0 0 PRESSAVG: 996200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 996200 0 0 0 0 0 0 0 0 0 TIMING: 996200 CPU: 3939.71, 0.00394944/step Wall: 3939.71, 0.00394944/step, 1.64977 hours remaining, 113.171875 MB of memory in use. ENERGY: 996200 678.6457 1884.9892 2020.9929 98.2830 3.2972 -1070.0935 0.0000 0.0000 2735.9579 6352.0724 302.1942 3616.1146 6383.0988 303.6255 LDB: ============= START OF LOAD BALANCING ============== 3942.66 LDB: ============== END OF LOAD BALANCING =============== 3942.66 LDB: =============== DONE WITH MIGRATION ================ 3942.66 LDB: ============= START OF LOAD BALANCING ============== 3943.06 LDB: ============== END OF LOAD BALANCING =============== 3943.06 LDB: =============== DONE WITH MIGRATION ================ 3943.06 PRESSURE: 996400 0 0 0 0 0 0 0 0 0 GPRESSURE: 996400 0 0 0 0 0 0 0 0 0 PRESSAVG: 996400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 996400 0 0 0 0 0 0 0 0 0 TIMING: 996400 CPU: 3940.5, 0.00395333/step Wall: 3940.5, 0.00395333/step, 1.65117 hours remaining, 113.171875 MB of memory in use. ENERGY: 996400 690.5297 1895.8225 1997.4045 105.3824 3.5867 -1088.1934 0.0000 0.0000 2756.3751 6360.9076 304.4493 3604.5324 6395.1838 305.3094 PRESSURE: 996600 0 0 0 0 0 0 0 0 0 GPRESSURE: 996600 0 0 0 0 0 0 0 0 0 PRESSAVG: 996600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 996600 0 0 0 0 0 0 0 0 0 TIMING: 996600 CPU: 3941.29, 0.00394964/step Wall: 3941.29, 0.00394964/step, 1.64941 hours remaining, 113.171875 MB of memory in use. ENERGY: 996600 662.6739 1921.2690 1998.9173 99.3973 3.9693 -1052.9622 0.0000 0.0000 2714.9275 6348.1921 299.8713 3633.2646 6382.1141 304.8626 PRESSURE: 996800 0 0 0 0 0 0 0 0 0 GPRESSURE: 996800 0 0 0 0 0 0 0 0 0 PRESSAVG: 996800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 996800 0 0 0 0 0 0 0 0 0 TIMING: 996800 CPU: 3942.08, 0.00394789/step Wall: 3942.08, 0.00394789/step, 1.64846 hours remaining, 113.171875 MB of memory in use. ENERGY: 996800 632.0153 1872.6225 2006.0717 114.0966 3.4002 -1051.4946 0.0000 0.0000 2750.8018 6327.5135 303.8337 3576.7117 6360.2266 304.3424 PRESSURE: 997000 0 0 0 0 0 0 0 0 0 GPRESSURE: 997000 0 0 0 0 0 0 0 0 0 PRESSAVG: 997000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 997000 0 0 0 0 0 0 0 0 0 TIMING: 997000 CPU: 3942.87, 0.00395697/step Wall: 3942.87, 0.00395697/step, 1.65204 hours remaining, 113.171875 MB of memory in use. ENERGY: 997000 666.7315 1857.4473 1990.8519 112.2134 4.2371 -1066.2593 0.0000 0.0000 2672.5845 6237.8065 295.1944 3565.2220 6269.1198 301.6583 PRESSURE: 997200 0 0 0 0 0 0 0 0 0 GPRESSURE: 997200 0 0 0 0 0 0 0 0 0 PRESSAVG: 997200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 997200 0 0 0 0 0 0 0 0 0 TIMING: 997200 CPU: 3943.66, 0.00395307/step Wall: 3943.66, 0.00395307/step, 1.65019 hours remaining, 113.171875 MB of memory in use. ENERGY: 997200 641.7020 1851.8073 2003.5908 106.0233 3.4169 -1109.4915 0.0000 0.0000 2681.1548 6178.2037 296.1410 3497.0489 6210.6048 298.7144 PRESSURE: 997400 0 0 0 0 0 0 0 0 0 GPRESSURE: 997400 0 0 0 0 0 0 0 0 0 PRESSAVG: 997400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 997400 0 0 0 0 0 0 0 0 0 TIMING: 997400 CPU: 3944.45, 0.00395187/step Wall: 3944.45, 0.00395187/step, 1.64947 hours remaining, 113.171875 MB of memory in use. ENERGY: 997400 656.2632 1789.0299 1993.9539 111.1144 4.3754 -1086.0814 0.0000 0.0000 2684.5012 6153.1566 296.5106 3468.6554 6188.4232 296.0180 PRESSURE: 997600 0 0 0 0 0 0 0 0 0 GPRESSURE: 997600 0 0 0 0 0 0 0 0 0 PRESSAVG: 997600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 997600 0 0 0 0 0 0 0 0 0 TIMING: 997600 CPU: 3945.24, 0.00394579/step Wall: 3945.24, 0.00394579/step, 1.64671 hours remaining, 113.171875 MB of memory in use. ENERGY: 997600 656.7705 1824.1853 1988.8056 101.9114 3.4351 -1098.6440 0.0000 0.0000 2630.9131 6107.3770 290.5917 3476.4639 6140.8678 294.7944 PRESSURE: 997800 0 0 0 0 0 0 0 0 0 GPRESSURE: 997800 0 0 0 0 0 0 0 0 0 PRESSAVG: 997800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 997800 0 0 0 0 0 0 0 0 0 TIMING: 997800 CPU: 3946.03, 0.00395159/step Wall: 3946.03, 0.00395159/step, 1.64891 hours remaining, 113.171875 MB of memory in use. ENERGY: 997800 687.9166 1797.6530 1968.3100 93.4362 3.5232 -1067.1077 0.0000 0.0000 2691.1422 6174.8734 297.2441 3483.7313 6206.1705 295.1077 PRESSURE: 998000 0 0 0 0 0 0 0 0 0 GPRESSURE: 998000 0 0 0 0 0 0 0 0 0 PRESSAVG: 998000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 998000 0 0 0 0 0 0 0 0 0 TIMING: 998000 CPU: 3946.82, 0.00394994/step Wall: 3946.82, 0.00394994/step, 1.648 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 998000 662.2482 1810.3840 1990.8786 113.2573 4.8836 -1090.2767 0.0000 0.0000 2659.3535 6150.7285 293.7330 3491.3750 6183.0646 296.0538 PRESSURE: 998200 0 0 0 0 0 0 0 0 0 GPRESSURE: 998200 0 0 0 0 0 0 0 0 0 PRESSAVG: 998200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 998200 0 0 0 0 0 0 0 0 0 TIMING: 998200 CPU: 3947.61, 0.00395126/step Wall: 3947.61, 0.00395126/step, 1.64833 hours remaining, 113.171875 MB of memory in use. ENERGY: 998200 655.7289 1789.9676 1978.9639 113.3777 3.0879 -1112.8700 0.0000 0.0000 2723.4281 6151.6840 300.8102 3428.2559 6186.1042 294.0226 PRESSURE: 998400 0 0 0 0 0 0 0 0 0 GPRESSURE: 998400 0 0 0 0 0 0 0 0 0 PRESSAVG: 998400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 998400 0 0 0 0 0 0 0 0 0 TIMING: 998400 CPU: 3948.4, 0.00394479/step Wall: 3948.4, 0.00394479/step, 1.64541 hours remaining, 113.171875 MB of memory in use. ENERGY: 998400 637.4437 1827.8020 1975.5647 105.0730 3.5382 -1089.4878 0.0000 0.0000 2720.0328 6179.9665 300.4352 3459.9337 6213.3325 297.2531 PRESSURE: 998600 0 0 0 0 0 0 0 0 0 GPRESSURE: 998600 0 0 0 0 0 0 0 0 0 PRESSAVG: 998600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 998600 0 0 0 0 0 0 0 0 0 TIMING: 998600 CPU: 3949.19, 0.00395223/step Wall: 3949.19, 0.00395223/step, 1.6483 hours remaining, 113.171875 MB of memory in use. ENERGY: 998600 671.5861 1834.4408 1981.2829 110.4926 3.5616 -1107.6195 0.0000 0.0000 2697.9976 6191.7420 298.0013 3493.7444 6220.8805 296.8354 PRESSURE: 998800 0 0 0 0 0 0 0 0 0 GPRESSURE: 998800 0 0 0 0 0 0 0 0 0 PRESSAVG: 998800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 998800 0 0 0 0 0 0 0 0 0 TIMING: 998800 CPU: 3949.98, 0.00395005/step Wall: 3949.98, 0.00395005/step, 1.64717 hours remaining, 113.171875 MB of memory in use. ENERGY: 998800 624.2327 1850.1686 1982.0137 118.2695 2.3377 -1079.8862 0.0000 0.0000 2694.7056 6191.8416 297.6377 3497.1360 6226.8739 298.0422 PRESSURE: 999000 0 0 0 0 0 0 0 0 0 GPRESSURE: 999000 0 0 0 0 0 0 0 0 0 PRESSAVG: 999000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 999000 0 0 0 0 0 0 0 0 0 TIMING: 999000 CPU: 3950.77, 0.00395204/step Wall: 3950.77, 0.00395204/step, 1.64778 hours remaining, 113.171875 MB of memory in use. ENERGY: 999000 627.8525 1843.7672 1971.8082 104.1659 3.3708 -1080.4664 0.0000 0.0000 2675.5355 6146.0338 295.5203 3470.4983 6178.8866 297.5716 PRESSURE: 999200 0 0 0 0 0 0 0 0 0 GPRESSURE: 999200 0 0 0 0 0 0 0 0 0 PRESSAVG: 999200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 999200 0 0 0 0 0 0 0 0 0 TIMING: 999200 CPU: 3951.56, 0.00395252/step Wall: 3951.56, 0.00395252/step, 1.64776 hours remaining, 113.171875 MB of memory in use. ENERGY: 999200 639.3472 1844.8077 1942.5107 119.6374 3.3312 -1123.4969 0.0000 0.0000 2733.6737 6159.8110 301.9419 3426.1373 6194.5601 296.1695 PRESSURE: 999400 0 0 0 0 0 0 0 0 0 GPRESSURE: 999400 0 0 0 0 0 0 0 0 0 PRESSAVG: 999400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 999400 0 0 0 0 0 0 0 0 0 TIMING: 999400 CPU: 3952.35, 0.00394525/step Wall: 3952.35, 0.00394525/step, 1.64451 hours remaining, 113.171875 MB of memory in use. ENERGY: 999400 668.6980 1812.6258 1961.4329 108.4841 3.7062 -1081.2321 0.0000 0.0000 2693.3784 6167.0933 297.4911 3473.7149 6197.6360 297.2421 PRESSURE: 999600 0 0 0 0 0 0 0 0 0 GPRESSURE: 999600 0 0 0 0 0 0 0 0 0 PRESSAVG: 999600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 999600 0 0 0 0 0 0 0 0 0 TIMING: 999600 CPU: 3953.14, 0.0039499/step Wall: 3953.14, 0.0039499/step, 1.64623 hours remaining, 113.171875 MB of memory in use. ENERGY: 999600 634.0073 1838.4503 1989.5019 115.1546 2.2256 -1071.9393 0.0000 0.0000 2656.7259 6164.1263 293.4428 3507.4004 6195.0858 294.7716 PRESSURE: 999800 0 0 0 0 0 0 0 0 0 GPRESSURE: 999800 0 0 0 0 0 0 0 0 0 PRESSAVG: 999800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 999800 0 0 0 0 0 0 0 0 0 TIMING: 999800 CPU: 3953.93, 0.00394967/step Wall: 3953.93, 0.00394967/step, 1.64592 hours remaining, 113.171875 MB of memory in use. ENERGY: 999800 656.3840 1824.1943 1990.8706 123.2155 4.1497 -1042.6764 0.0000 0.0000 2594.3170 6150.4548 286.5495 3556.1378 6179.9181 294.8567 PRESSURE: 1000000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1000000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1000000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1000000 0 0 0 0 0 0 0 0 0 TIMING: 1000000 CPU: 3954.72, 0.00395041/step Wall: 3954.72, 0.0039504/step, 1.646 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1000000 643.9269 1800.6848 2001.0816 107.3020 4.6268 -1098.6342 0.0000 0.0000 2685.9934 6144.9813 296.6755 3458.9879 6178.4819 294.2313 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1000200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1000200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1000200 0 0 0 0 0 0 0 0 0 TIMING: 1000200 CPU: 3955.56, 0.00420887/step Wall: 3955.56, 0.00420887/step, 1.75346 hours remaining, 113.171875 MB of memory in use. ENERGY: 1000200 636.6310 1806.7974 2014.7398 108.7743 4.2571 -1077.6268 0.0000 0.0000 2640.9153 6134.4883 291.6965 3493.5730 6165.5982 294.0593 LDB: ============= START OF LOAD BALANCING ============== 3958.52 LDB: ============== END OF LOAD BALANCING =============== 3958.52 LDB: =============== DONE WITH MIGRATION ================ 3958.52 LDB: ============= START OF LOAD BALANCING ============== 3958.91 LDB: ============== END OF LOAD BALANCING =============== 3958.91 LDB: =============== DONE WITH MIGRATION ================ 3958.91 PRESSURE: 1000400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1000400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1000400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1000400 0 0 0 0 0 0 0 0 0 TIMING: 1000400 CPU: 3956.35, 0.00395007/step Wall: 3956.35, 0.00395007/step, 1.64542 hours remaining, 113.171875 MB of memory in use. ENERGY: 1000400 643.7176 1790.7840 1969.6305 89.0465 3.7452 -1070.3939 0.0000 0.0000 2684.7115 6111.2413 296.5339 3426.5299 6141.2177 293.2505 PRESSURE: 1000600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1000600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1000600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1000600 0 0 0 0 0 0 0 0 0 TIMING: 1000600 CPU: 3957.14, 0.00395196/step Wall: 3957.14, 0.00395196/step, 1.64599 hours remaining, 113.171875 MB of memory in use. ENERGY: 1000600 642.4694 1825.0061 2003.8286 107.1074 3.7640 -1079.4597 0.0000 0.0000 2650.9624 6153.6780 292.8062 3502.7156 6184.5195 294.3847 PRESSURE: 1000800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1000800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1000800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1000800 0 0 0 0 0 0 0 0 0 TIMING: 1000800 CPU: 3957.93, 0.00395086/step Wall: 3957.93, 0.00395086/step, 1.64532 hours remaining, 113.171875 MB of memory in use. ENERGY: 1000800 619.1936 1763.9915 1966.4585 99.7681 4.4307 -1034.2740 0.0000 0.0000 2715.2240 6134.7923 299.9041 3419.5684 6168.7896 293.3227 PRESSURE: 1001000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1001000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1001000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1001000 0 0 0 0 0 0 0 0 0 TIMING: 1001000 CPU: 3958.72, 0.00395366/step Wall: 3958.72, 0.00395366/step, 1.64626 hours remaining, 113.171875 MB of memory in use. ENERGY: 1001000 646.0055 1828.2622 1975.5174 96.0324 3.4596 -1052.9769 0.0000 0.0000 2668.0994 6164.3995 294.6990 3496.3002 6200.5107 293.1822 PRESSURE: 1001200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1001200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1001200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1001200 0 0 0 0 0 0 0 0 0 TIMING: 1001200 CPU: 3959.51, 0.00395483/step Wall: 3959.51, 0.00395483/step, 1.64653 hours remaining, 113.171875 MB of memory in use. ENERGY: 1001200 649.0731 1857.2740 1975.5323 104.8839 4.5993 -1074.9802 0.0000 0.0000 2723.4768 6239.8591 300.8156 3516.3823 6272.1771 296.6168 PRESSURE: 1001400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1001400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1001400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1001400 0 0 0 0 0 0 0 0 0 TIMING: 1001400 CPU: 3960.3, 0.00394727/step Wall: 3960.3, 0.00394728/step, 1.64317 hours remaining, 113.171875 MB of memory in use. ENERGY: 1001400 633.7655 1886.1204 1998.0150 112.7930 3.8173 -1115.4938 0.0000 0.0000 2733.6178 6252.6352 301.9357 3519.0174 6285.9183 301.4237 PRESSURE: 1001600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1001600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1001600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1001600 0 0 0 0 0 0 0 0 0 TIMING: 1001600 CPU: 3961.09, 0.00395385/step Wall: 3961.09, 0.00395385/step, 1.64568 hours remaining, 113.171875 MB of memory in use. ENERGY: 1001600 620.6525 1889.7180 1989.5070 107.7589 5.5958 -1077.4613 0.0000 0.0000 2710.6721 6246.4429 299.4013 3535.7709 6280.0933 301.1574 PRESSURE: 1001800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1001800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1001800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1001800 0 0 0 0 0 0 0 0 0 TIMING: 1001800 CPU: 3961.88, 0.00395261/step Wall: 3961.88, 0.00395261/step, 1.64494 hours remaining, 113.171875 MB of memory in use. ENERGY: 1001800 664.8086 1874.4292 1991.2571 115.9442 4.0583 -1122.6330 0.0000 0.0000 2698.0117 6225.8761 298.0029 3527.8644 6257.9142 301.4576 PRESSURE: 1002000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1002000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1002000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1002000 0 0 0 0 0 0 0 0 0 TIMING: 1002000 CPU: 3962.67, 0.00395386/step Wall: 3962.67, 0.00395386/step, 1.64524 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1002000 640.1269 1775.4905 1995.9867 109.1454 3.5997 -1081.1564 0.0000 0.0000 2748.1597 6191.3524 303.5419 3443.1927 6225.4754 298.4006 PRESSURE: 1002200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1002200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1002200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1002200 0 0 0 0 0 0 0 0 0 TIMING: 1002200 CPU: 3963.46, 0.00395347/step Wall: 3963.46, 0.00395347/step, 1.64486 hours remaining, 113.171875 MB of memory in use. ENERGY: 1002200 633.3809 1819.7118 2005.4871 98.9525 3.2348 -1094.7181 0.0000 0.0000 2688.5321 6154.5809 296.9559 3466.0489 6187.9826 296.7706 PRESSURE: 1002400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1002400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1002400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1002400 0 0 0 0 0 0 0 0 0 TIMING: 1002400 CPU: 3964.25, 0.0039459/step Wall: 3964.25, 0.0039459/step, 1.64149 hours remaining, 113.171875 MB of memory in use. ENERGY: 1002400 683.3560 1836.8449 1979.6925 100.3226 4.5081 -1091.2071 0.0000 0.0000 2657.6391 6171.1562 293.5436 3513.5171 6205.4901 295.7982 PRESSURE: 1002600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1002600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1002600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1002600 0 0 0 0 0 0 0 0 0 TIMING: 1002600 CPU: 3965.04, 0.00395234/step Wall: 3965.04, 0.00395234/step, 1.64396 hours remaining, 113.171875 MB of memory in use. ENERGY: 1002600 634.0441 1787.4539 1983.5755 103.7939 4.9419 -1039.4765 0.0000 0.0000 2688.6869 6163.0198 296.9730 3474.3329 6197.4943 297.0962 PRESSURE: 1002800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1002800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1002800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1002800 0 0 0 0 0 0 0 0 0 TIMING: 1002800 CPU: 3965.83, 0.00395182/step Wall: 3965.83, 0.00395182/step, 1.64352 hours remaining, 113.171875 MB of memory in use. ENERGY: 1002800 639.1042 1807.0480 1981.9286 103.0256 4.5597 -1079.4533 0.0000 0.0000 2687.1058 6143.3186 296.7983 3456.2128 6176.7262 293.6603 PRESSURE: 1003000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1003000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1003000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1003000 0 0 0 0 0 0 0 0 0 TIMING: 1003000 CPU: 3966.62, 0.00395121/step Wall: 3966.62, 0.00395121/step, 1.64304 hours remaining, 113.171875 MB of memory in use. ENERGY: 1003000 637.1301 1872.8103 2006.0558 114.2613 2.9708 -1061.3847 0.0000 0.0000 2623.3986 6195.2423 289.7617 3571.8437 6223.7352 296.7680 PRESSURE: 1003200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1003200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1003200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1003200 0 0 0 0 0 0 0 0 0 TIMING: 1003200 CPU: 3967.41, 0.0039464/step Wall: 3967.41, 0.0039464/step, 1.64083 hours remaining, 113.171875 MB of memory in use. ENERGY: 1003200 641.6277 1802.1812 1992.7020 100.1649 3.9244 -1047.9235 0.0000 0.0000 2698.6902 6191.3669 298.0778 3492.6767 6222.9216 298.8581 PRESSURE: 1003400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1003400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1003400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1003400 0 0 0 0 0 0 0 0 0 TIMING: 1003400 CPU: 3968.2, 0.00395049/step Wall: 3968.2, 0.00395049/step, 1.64231 hours remaining, 113.171875 MB of memory in use. ENERGY: 1003400 615.7700 1827.3819 1949.2185 110.5574 3.0247 -1060.7628 0.0000 0.0000 2752.1799 6197.3695 303.9859 3445.1896 6230.5071 299.6890 PRESSURE: 1003600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1003600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1003600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1003600 0 0 0 0 0 0 0 0 0 TIMING: 1003600 CPU: 3968.99, 0.00395046/step Wall: 3968.99, 0.00395046/step, 1.64208 hours remaining, 113.171875 MB of memory in use. ENERGY: 1003600 623.6608 1796.2624 2003.3550 103.8644 3.2160 -1084.0751 0.0000 0.0000 2776.5580 6222.8414 306.6786 3446.2834 6257.0594 297.6934 PRESSURE: 1003800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1003800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1003800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1003800 0 0 0 0 0 0 0 0 0 TIMING: 1003800 CPU: 3969.78, 0.0039519/step Wall: 3969.78, 0.0039519/step, 1.64245 hours remaining, 113.171875 MB of memory in use. ENERGY: 1003800 628.5400 1836.8676 2006.8128 107.6957 3.7529 -1076.4425 0.0000 0.0000 2711.4266 6218.6530 299.4846 3507.2265 6251.9300 298.8488 PRESSURE: 1004000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1004000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1004000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1004000 0 0 0 0 0 0 0 0 0 TIMING: 1004000 CPU: 3970.57, 0.00395192/step Wall: 3970.57, 0.00395192/step, 1.64224 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1004000 628.0646 1884.5951 2016.3547 107.5866 4.7554 -1060.3105 0.0000 0.0000 2621.8062 6202.8521 289.5858 3581.0458 6234.2387 299.2194 PRESSURE: 1004200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1004200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1004200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1004200 0 0 0 0 0 0 0 0 0 TIMING: 1004200 CPU: 3971.36, 0.0039473/step Wall: 3971.36, 0.0039473/step, 1.6401 hours remaining, 113.171875 MB of memory in use. ENERGY: 1004200 648.6702 1832.7253 1983.9096 109.5501 5.4497 -1071.3905 0.0000 0.0000 2693.4049 6202.3194 297.4941 3508.9145 6235.7181 297.8674 LDB: ============= START OF LOAD BALANCING ============== 3974.32 LDB: ============== END OF LOAD BALANCING =============== 3974.32 LDB: =============== DONE WITH MIGRATION ================ 3974.32 LDB: ============= START OF LOAD BALANCING ============== 3974.72 LDB: ============== END OF LOAD BALANCING =============== 3974.72 LDB: =============== DONE WITH MIGRATION ================ 3974.72 PRESSURE: 1004400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1004400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1004400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1004400 0 0 0 0 0 0 0 0 0 TIMING: 1004400 CPU: 3972.15, 0.00395545/step Wall: 3972.15, 0.00395545/step, 1.64327 hours remaining, 113.171875 MB of memory in use. ENERGY: 1004400 639.1281 1865.0009 2009.2043 118.3665 5.4016 -1066.4613 0.0000 0.0000 2686.6076 6257.2477 296.7433 3570.6401 6288.6180 297.5186 PRESSURE: 1004600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1004600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1004600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1004600 0 0 0 0 0 0 0 0 0 TIMING: 1004600 CPU: 3972.94, 0.00394836/step Wall: 3972.94, 0.00394836/step, 1.64011 hours remaining, 113.171875 MB of memory in use. ENERGY: 1004600 660.6555 1803.3814 2019.6565 116.9155 4.7964 -1091.8005 0.0000 0.0000 2713.4591 6227.0639 299.7091 3513.6048 6261.1175 300.5280 PRESSURE: 1004800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1004800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1004800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1004800 0 0 0 0 0 0 0 0 0 TIMING: 1004800 CPU: 3973.73, 0.00395254/step Wall: 3973.73, 0.00395254/step, 1.64162 hours remaining, 113.171875 MB of memory in use. ENERGY: 1004800 658.7989 1897.7725 1949.6024 100.4435 3.8244 -1055.7538 0.0000 0.0000 2676.4364 6231.1244 295.6199 3554.6879 6264.5453 299.7828 PRESSURE: 1005000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1005000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1005000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1005000 0 0 0 0 0 0 0 0 0 TIMING: 1005000 CPU: 3974.52, 0.00394993/step Wall: 3974.52, 0.00394993/step, 1.64032 hours remaining, 113.171875 MB of memory in use. ENERGY: 1005000 697.3453 1831.2696 1975.2489 95.5498 3.8506 -1084.8542 0.0000 0.0000 2706.5451 6224.9550 298.9454 3518.4099 6262.1323 297.2466 PRESSURE: 1005200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1005200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1005200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1005200 0 0 0 0 0 0 0 0 0 TIMING: 1005200 CPU: 3975.31, 0.00394561/step Wall: 3975.31, 0.00394561/step, 1.6383 hours remaining, 113.171875 MB of memory in use. ENERGY: 1005200 688.6728 1847.3554 1985.4763 113.1104 3.5379 -1064.6381 0.0000 0.0000 2664.8207 6238.3354 294.3369 3573.5146 6267.0186 297.2299 PRESSURE: 1005400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1005400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1005400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1005400 0 0 0 0 0 0 0 0 0 TIMING: 1005400 CPU: 3976.1, 0.0039485/step Wall: 3976.1, 0.0039485/step, 1.63929 hours remaining, 113.171875 MB of memory in use. ENERGY: 1005400 665.8951 1901.5401 1945.4380 94.8428 4.3919 -1067.4144 0.0000 0.0000 2700.9191 6245.6126 298.3240 3544.6935 6278.1721 298.6429 PRESSURE: 1005600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1005600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1005600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1005600 0 0 0 0 0 0 0 0 0 TIMING: 1005600 CPU: 3976.89, 0.0039485/step Wall: 3976.89, 0.0039485/step, 1.63907 hours remaining, 113.171875 MB of memory in use. ENERGY: 1005600 628.7295 1834.8705 1971.8358 107.2279 3.4011 -1033.3432 0.0000 0.0000 2687.1568 6199.8784 296.8040 3512.7216 6234.0605 298.9992 PRESSURE: 1005800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1005800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1005800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1005800 0 0 0 0 0 0 0 0 0 TIMING: 1005800 CPU: 3977.68, 0.00395029/step Wall: 3977.68, 0.00395029/step, 1.63959 hours remaining, 113.171875 MB of memory in use. ENERGY: 1005800 634.6833 1865.3422 1993.5941 112.3148 3.3257 -1043.9034 0.0000 0.0000 2676.4322 6241.7889 295.6194 3565.3567 6276.1916 299.8001 PRESSURE: 1006000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1006000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1006000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1006000 0 0 0 0 0 0 0 0 0 TIMING: 1006000 CPU: 3978.47, 0.00394964/step Wall: 3978.47, 0.00394964/step, 1.6391 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1006000 618.6223 1798.2923 1965.9594 108.3066 1.7284 -1053.5981 0.0000 0.0000 2795.2830 6234.5939 308.7468 3439.3109 6270.5015 300.7427 PRESSURE: 1006200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1006200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1006200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1006200 0 0 0 0 0 0 0 0 0 TIMING: 1006200 CPU: 3979.27, 0.00395969/step Wall: 3979.27, 0.00395969/step, 1.64305 hours remaining, 113.171875 MB of memory in use. ENERGY: 1006200 640.0211 1831.2376 1988.0520 111.8573 3.2815 -1065.3291 0.0000 0.0000 2684.1510 6193.2714 296.4720 3509.1204 6225.1471 298.8153 PRESSURE: 1006400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1006400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1006400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1006400 0 0 0 0 0 0 0 0 0 TIMING: 1006400 CPU: 3980.06, 0.00395149/step Wall: 3980.06, 0.00395149/step, 1.63943 hours remaining, 113.171875 MB of memory in use. ENERGY: 1006400 630.1493 1850.1334 1974.6333 105.1069 2.8722 -1037.1527 0.0000 0.0000 2672.6760 6198.4183 295.2045 3525.7423 6230.5715 296.6988 PRESSURE: 1006600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1006600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1006600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1006600 0 0 0 0 0 0 0 0 0 TIMING: 1006600 CPU: 3980.85, 0.00394987/step Wall: 3980.85, 0.00394987/step, 1.63854 hours remaining, 113.171875 MB of memory in use. ENERGY: 1006600 641.7289 1808.4228 1968.1615 106.6819 4.0514 -1046.5407 0.0000 0.0000 2707.9075 6190.4132 299.0959 3482.5058 6224.1254 295.4423 PRESSURE: 1006800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1006800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1006800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1006800 0 0 0 0 0 0 0 0 0 TIMING: 1006800 CPU: 3981.64, 0.00395079/step Wall: 3981.64, 0.00395079/step, 1.6387 hours remaining, 113.171875 MB of memory in use. ENERGY: 1006800 636.7604 1806.0906 1984.8775 105.2646 4.7247 -1080.5402 0.0000 0.0000 2716.2752 6173.4529 300.0202 3457.1777 6209.8717 296.4419 PRESSURE: 1007000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1007000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1007000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1007000 0 0 0 0 0 0 0 0 0 TIMING: 1007000 CPU: 3982.42, 0.00394634/step Wall: 3982.42, 0.00394634/step, 1.63663 hours remaining, 113.171875 MB of memory in use. ENERGY: 1007000 648.6137 1808.1139 1988.8393 119.8577 3.5454 -1062.7529 0.0000 0.0000 2688.5458 6194.7629 296.9574 3506.2171 6228.7848 297.9437 PRESSURE: 1007200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1007200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1007200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1007200 0 0 0 0 0 0 0 0 0 TIMING: 1007200 CPU: 3983.22, 0.00395182/step Wall: 3983.22, 0.00395182/step, 1.63869 hours remaining, 113.171875 MB of memory in use. ENERGY: 1007200 677.7573 1834.1533 1974.2187 107.4508 2.5442 -1072.1159 0.0000 0.0000 2740.7353 6264.7437 302.7218 3524.0084 6298.9432 299.4398 PRESSURE: 1007400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1007400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1007400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1007400 0 0 0 0 0 0 0 0 0 TIMING: 1007400 CPU: 3984.01, 0.00395023/step Wall: 3984.01, 0.00395023/step, 1.63781 hours remaining, 113.171875 MB of memory in use. ENERGY: 1007400 632.5145 1783.1269 1941.4622 119.0443 3.0536 -1005.2995 0.0000 0.0000 2766.8139 6240.7158 305.6023 3473.9020 6277.4759 299.5881 PRESSURE: 1007600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1007600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1007600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1007600 0 0 0 0 0 0 0 0 0 TIMING: 1007600 CPU: 3984.8, 0.00395065/step Wall: 3984.8, 0.00395065/step, 1.63777 hours remaining, 113.171875 MB of memory in use. ENERGY: 1007600 642.5610 1840.8263 1974.3660 113.5918 3.8145 -1047.2679 0.0000 0.0000 2694.7404 6222.6320 297.6416 3527.8916 6255.0501 298.8218 PRESSURE: 1007800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1007800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1007800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1007800 0 0 0 0 0 0 0 0 0 TIMING: 1007800 CPU: 3985.59, 0.00395029/step Wall: 3985.59, 0.00395029/step, 1.63739 hours remaining, 113.171875 MB of memory in use. ENERGY: 1007800 680.1224 1827.1046 1999.4778 110.0991 2.8300 -1091.1558 0.0000 0.0000 2665.5699 6194.0480 294.4196 3528.4781 6226.3618 298.9639 PRESSURE: 1008000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1008000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1008000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1008000 0 0 0 0 0 0 0 0 0 TIMING: 1008000 CPU: 3986.37, 0.00394504/step Wall: 3986.37, 0.00394504/step, 1.635 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1008000 679.0764 1808.2247 2006.0934 112.7313 2.7918 -1071.2370 0.0000 0.0000 2652.0281 6189.7086 292.9239 3537.6805 6218.9682 296.7094 PRESSURE: 1008200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1008200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1008200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1008200 0 0 0 0 0 0 0 0 0 TIMING: 1008200 CPU: 3987.16, 0.00395077/step Wall: 3987.16, 0.00395077/step, 1.63716 hours remaining, 113.171875 MB of memory in use. ENERGY: 1008200 672.9253 1763.9635 2005.7671 101.2941 2.9525 -1106.1717 0.0000 0.0000 2728.3526 6169.0835 301.3541 3440.7309 6205.6048 296.6380 LDB: ============= START OF LOAD BALANCING ============== 3990.12 LDB: ============== END OF LOAD BALANCING =============== 3990.12 LDB: =============== DONE WITH MIGRATION ================ 3990.12 LDB: ============= START OF LOAD BALANCING ============== 3990.52 LDB: ============== END OF LOAD BALANCING =============== 3990.52 LDB: =============== DONE WITH MIGRATION ================ 3990.52 PRESSURE: 1008400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1008400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1008400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1008400 0 0 0 0 0 0 0 0 0 TIMING: 1008400 CPU: 3987.96, 0.00395416/step Wall: 3987.96, 0.00395416/step, 1.63834 hours remaining, 113.171875 MB of memory in use. ENERGY: 1008400 653.3857 1857.9103 1991.7473 117.8574 2.6963 -1082.8454 0.0000 0.0000 2675.4840 6216.2356 295.5147 3540.7516 6246.8184 299.0824 PRESSURE: 1008600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1008600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1008600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1008600 0 0 0 0 0 0 0 0 0 TIMING: 1008600 CPU: 3988.75, 0.00395036/step Wall: 3988.75, 0.00395036/step, 1.63655 hours remaining, 113.171875 MB of memory in use. ENERGY: 1008600 632.4199 1834.4696 1997.5442 107.0975 1.6168 -1032.1667 0.0000 0.0000 2692.4622 6233.4436 297.3900 3540.9813 6263.8400 300.3138 PRESSURE: 1008800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1008800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1008800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1008800 0 0 0 0 0 0 0 0 0 TIMING: 1008800 CPU: 3989.54, 0.00394996/step Wall: 3989.54, 0.00394995/step, 1.63616 hours remaining, 113.171875 MB of memory in use. ENERGY: 1008800 672.5610 1866.2738 2022.6912 108.2131 1.8141 -1073.2839 0.0000 0.0000 2721.6515 6319.9208 300.6140 3598.2693 6349.4884 300.8895 PRESSURE: 1009000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1009000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1009000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1009000 0 0 0 0 0 0 0 0 0 TIMING: 1009000 CPU: 3990.32, 0.00394341/step Wall: 3990.32, 0.00394341/step, 1.63323 hours remaining, 113.171875 MB of memory in use. ENERGY: 1009000 652.3103 1857.6036 2019.0315 115.4737 3.6877 -1057.3257 0.0000 0.0000 2744.6309 6335.4120 303.1521 3590.7810 6369.4361 306.5347 PRESSURE: 1009200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1009200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1009200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1009200 0 0 0 0 0 0 0 0 0 TIMING: 1009200 CPU: 3991.11, 0.00395008/step Wall: 3991.11, 0.00395008/step, 1.63577 hours remaining, 113.171875 MB of memory in use. ENERGY: 1009200 654.8139 1850.5729 2030.1483 106.7995 3.1335 -1034.3644 0.0000 0.0000 2792.2518 6403.3555 308.4120 3611.1037 6434.5422 306.6229 PRESSURE: 1009400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1009400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1009400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1009400 0 0 0 0 0 0 0 0 0 TIMING: 1009400 CPU: 3991.9, 0.00394652/step Wall: 3991.9, 0.00394652/step, 1.63408 hours remaining, 113.171875 MB of memory in use. ENERGY: 1009400 680.1523 1849.8090 1995.1772 101.2009 3.5160 -1059.5542 0.0000 0.0000 2746.7176 6317.0188 303.3826 3570.3012 6348.5679 306.5451 PRESSURE: 1009600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1009600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1009600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1009600 0 0 0 0 0 0 0 0 0 TIMING: 1009600 CPU: 3992.69, 0.00394902/step Wall: 3992.69, 0.00394902/step, 1.6349 hours remaining, 113.171875 MB of memory in use. ENERGY: 1009600 663.4681 1855.4847 2035.2981 106.1003 5.2376 -1083.3231 0.0000 0.0000 2747.4448 6329.7106 303.4629 3582.2657 6363.5796 303.0849 PRESSURE: 1009800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1009800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1009800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1009800 0 0 0 0 0 0 0 0 0 TIMING: 1009800 CPU: 3993.48, 0.00394657/step Wall: 3993.48, 0.00394657/step, 1.63366 hours remaining, 113.171875 MB of memory in use. ENERGY: 1009800 684.6434 1826.9631 2056.0367 110.9029 3.0569 -1054.7691 0.0000 0.0000 2716.2797 6343.1135 300.0207 3626.8337 6375.4437 304.9331 PRESSURE: 1010000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1010000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1010000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1010000 0 0 0 0 0 0 0 0 0 TIMING: 1010000 CPU: 3994.27, 0.00394792/step Wall: 3994.27, 0.00394792/step, 1.634 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1010000 643.5768 1829.3176 2013.9322 104.9916 4.1239 -1045.9896 0.0000 0.0000 2755.1240 6305.0765 304.3111 3549.9525 6340.4129 304.2482 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1010000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1010000 WRITING COORDINATES TO RESTART FILE AT STEP 1010000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1010000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1010200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1010200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1010200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1010200 0 0 0 0 0 0 0 0 0 TIMING: 1010200 CPU: 3995.11, 0.00418516/step Wall: 3995.11, 0.00418516/step, 1.73196 hours remaining, 113.171875 MB of memory in use. ENERGY: 1010200 646.5165 1801.7655 2027.9744 109.2023 3.5255 -1105.2255 0.0000 0.0000 2824.2584 6308.0171 311.9472 3483.7587 6343.8825 301.9775 PRESSURE: 1010400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1010400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1010400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1010400 0 0 0 0 0 0 0 0 0 TIMING: 1010400 CPU: 3995.9, 0.00394843/step Wall: 3995.9, 0.00394843/step, 1.63377 hours remaining, 113.171875 MB of memory in use. ENERGY: 1010400 646.3038 1855.0078 2001.9485 113.3496 3.4548 -1051.9771 0.0000 0.0000 2737.0494 6305.1367 302.3147 3568.0873 6337.3338 303.0397 PRESSURE: 1010600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1010600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1010600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1010600 0 0 0 0 0 0 0 0 0 TIMING: 1010600 CPU: 3996.69, 0.00395046/step Wall: 3996.69, 0.00395046/step, 1.63439 hours remaining, 113.171875 MB of memory in use. ENERGY: 1010600 668.9935 1864.8687 2004.6204 108.5099 3.2627 -1124.1203 0.0000 0.0000 2795.3184 6321.4534 308.7507 3526.1350 6355.8166 303.5827 PRESSURE: 1010800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1010800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1010800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1010800 0 0 0 0 0 0 0 0 0 TIMING: 1010800 CPU: 3997.48, 0.00394632/step Wall: 3997.48, 0.00394632/step, 1.63246 hours remaining, 113.171875 MB of memory in use. ENERGY: 1010800 679.7684 1858.7461 2011.1355 104.9538 3.4975 -1060.1899 0.0000 0.0000 2720.1068 6318.0183 300.4434 3597.9115 6346.9333 304.4582 PRESSURE: 1011000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1011000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1011000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1011000 0 0 0 0 0 0 0 0 0 TIMING: 1011000 CPU: 3998.27, 0.00394959/step Wall: 3998.27, 0.00394959/step, 1.6336 hours remaining, 113.171875 MB of memory in use. ENERGY: 1011000 665.6665 1781.3367 1983.7920 100.3830 4.6846 -1062.4216 0.0000 0.0000 2774.2387 6247.6798 306.4224 3473.4412 6282.7149 301.5680 PRESSURE: 1011200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1011200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1011200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1011200 0 0 0 0 0 0 0 0 0 TIMING: 1011200 CPU: 3999.06, 0.0039505/step Wall: 3999.06, 0.0039505/step, 1.63375 hours remaining, 113.171875 MB of memory in use. ENERGY: 1011200 627.4335 1827.5884 1981.0951 104.6190 4.1908 -1076.2457 0.0000 0.0000 2769.2482 6237.9293 305.8712 3468.6810 6271.5791 301.1329 PRESSURE: 1011400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1011400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1011400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1011400 0 0 0 0 0 0 0 0 0 TIMING: 1011400 CPU: 3999.85, 0.00394921/step Wall: 3999.85, 0.00394921/step, 1.633 hours remaining, 113.171875 MB of memory in use. ENERGY: 1011400 659.4839 1879.4831 1991.0133 108.0043 5.0882 -1108.3993 0.0000 0.0000 2686.1138 6220.7873 296.6888 3534.6734 6251.1949 299.8426 PRESSURE: 1011600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1011600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1011600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1011600 0 0 0 0 0 0 0 0 0 TIMING: 1011600 CPU: 4000.64, 0.00395062/step Wall: 4000.64, 0.00395062/step, 1.63336 hours remaining, 113.171875 MB of memory in use. ENERGY: 1011600 644.2772 1893.4353 1981.0096 104.3094 4.2961 -1113.0414 0.0000 0.0000 2697.9577 6212.2439 297.9969 3514.2862 6242.8093 299.0396 PRESSURE: 1011800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1011800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1011800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1011800 0 0 0 0 0 0 0 0 0 TIMING: 1011800 CPU: 4001.43, 0.00394755/step Wall: 4001.43, 0.00394755/step, 1.63188 hours remaining, 113.171875 MB of memory in use. ENERGY: 1011800 664.8251 1841.7279 1978.4981 105.0272 3.0676 -1079.7140 0.0000 0.0000 2711.7248 6225.1567 299.5176 3513.4319 6256.2359 299.6323 PRESSURE: 1012000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1012000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1012000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1012000 0 0 0 0 0 0 0 0 0 TIMING: 1012000 CPU: 4002.22, 0.00395105/step Wall: 4002.22, 0.00395105/step, 1.6331 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1012000 648.6037 1794.9399 1991.5345 105.6736 4.3671 -1044.8004 0.0000 0.0000 2715.9006 6216.2191 299.9788 3500.3185 6250.4666 297.9368 PRESSURE: 1012200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1012200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1012200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1012200 0 0 0 0 0 0 0 0 0 TIMING: 1012200 CPU: 4003.01, 0.00397354/step Wall: 4003.01, 0.00397354/step, 1.64218 hours remaining, 113.171875 MB of memory in use. ENERGY: 1012200 673.8851 1882.9346 2012.7178 102.8578 3.4134 -1093.9484 0.0000 0.0000 2681.8655 6263.7259 296.2195 3581.8603 6296.8403 299.0025 LDB: ============= START OF LOAD BALANCING ============== 4005.97 LDB: ============== END OF LOAD BALANCING =============== 4005.97 LDB: =============== DONE WITH MIGRATION ================ 4005.97 LDB: ============= START OF LOAD BALANCING ============== 4006.37 LDB: ============== END OF LOAD BALANCING =============== 4006.37 LDB: =============== DONE WITH MIGRATION ================ 4006.37 PRESSURE: 1012400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1012400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1012400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1012400 0 0 0 0 0 0 0 0 0 TIMING: 1012400 CPU: 4003.8, 0.00395926/step Wall: 4003.8, 0.00395926/step, 1.63606 hours remaining, 113.171875 MB of memory in use. ENERGY: 1012400 643.6896 1839.6707 1971.1812 130.3344 3.5059 -1080.2077 0.0000 0.0000 2717.4918 6225.6659 300.1545 3508.1741 6259.7791 300.8216 PRESSURE: 1012600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1012600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1012600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1012600 0 0 0 0 0 0 0 0 0 TIMING: 1012600 CPU: 4004.59, 0.00395171/step Wall: 4004.59, 0.00395171/step, 1.63272 hours remaining, 113.171875 MB of memory in use. ENERGY: 1012600 640.3179 1862.8177 1988.6362 117.7215 2.3067 -1097.8630 0.0000 0.0000 2697.4450 6211.3820 297.9403 3513.9370 6241.1780 298.6039 PRESSURE: 1012800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1012800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1012800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1012800 0 0 0 0 0 0 0 0 0 TIMING: 1012800 CPU: 4005.38, 0.00394658/step Wall: 4005.38, 0.00394658/step, 1.63038 hours remaining, 113.171875 MB of memory in use. ENERGY: 1012800 665.7687 1883.9920 1999.2292 103.4729 3.0953 -1071.4534 0.0000 0.0000 2666.0797 6250.1844 294.4759 3584.1047 6280.3644 298.9573 PRESSURE: 1013000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1013000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1013000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1013000 0 0 0 0 0 0 0 0 0 TIMING: 1013000 CPU: 4006.17, 0.00395257/step Wall: 4006.17, 0.00395257/step, 1.63263 hours remaining, 113.171875 MB of memory in use. ENERGY: 1013000 637.5406 1823.7048 2007.7143 97.7731 1.9159 -1043.4381 0.0000 0.0000 2720.7827 6245.9933 300.5180 3525.2106 6281.1427 300.1218 PRESSURE: 1013200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1013200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1013200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1013200 0 0 0 0 0 0 0 0 0 TIMING: 1013200 CPU: 4006.96, 0.00395105/step Wall: 4006.96, 0.00395105/step, 1.63178 hours remaining, 113.171875 MB of memory in use. ENERGY: 1013200 640.7429 1834.3125 1983.7714 118.5931 3.1822 -1054.8289 0.0000 0.0000 2721.3653 6247.1384 300.5824 3525.7731 6282.1581 298.7345 PRESSURE: 1013400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1013400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1013400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1013400 0 0 0 0 0 0 0 0 0 TIMING: 1013400 CPU: 4007.76, 0.00395153/step Wall: 4007.76, 0.00395153/step, 1.63176 hours remaining, 113.171875 MB of memory in use. ENERGY: 1013400 637.9770 1872.1914 2033.3696 104.4825 3.2317 -1053.4304 0.0000 0.0000 2782.2706 6380.0924 307.3095 3597.8217 6413.4906 302.8656 PRESSURE: 1013600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1013600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1013600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1013600 0 0 0 0 0 0 0 0 0 TIMING: 1013600 CPU: 4008.55, 0.00395078/step Wall: 4008.55, 0.00395078/step, 1.63123 hours remaining, 113.171875 MB of memory in use. ENERGY: 1013600 642.6949 1848.4768 2001.3202 109.6569 3.4320 -1066.8952 0.0000 0.0000 2753.4946 6292.1803 304.1311 3538.6857 6328.9159 305.7093 PRESSURE: 1013800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1013800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1013800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1013800 0 0 0 0 0 0 0 0 0 TIMING: 1013800 CPU: 4009.33, 0.00394656/step Wall: 4009.33, 0.00394656/step, 1.62927 hours remaining, 113.171875 MB of memory in use. ENERGY: 1013800 658.5714 1889.2927 1972.7267 107.1246 2.9315 -1057.5776 0.0000 0.0000 2712.8090 6285.8783 299.6373 3573.0693 6319.0728 303.0174 PRESSURE: 1014000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1014000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1014000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1014000 0 0 0 0 0 0 0 0 0 TIMING: 1014000 CPU: 4010.12, 0.00395116/step Wall: 4010.12, 0.00395116/step, 1.63095 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1014000 637.1063 1859.9195 2002.1473 117.5500 1.2625 -1089.5907 0.0000 0.0000 2744.4251 6272.8200 303.1294 3528.3948 6306.5644 300.3281 PRESSURE: 1014200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1014200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1014200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1014200 0 0 0 0 0 0 0 0 0 TIMING: 1014200 CPU: 4010.91, 0.00395018/step Wall: 4010.91, 0.00395018/step, 1.63033 hours remaining, 113.171875 MB of memory in use. ENERGY: 1014200 664.2354 1849.5631 2006.3544 108.1624 2.1713 -1090.1419 0.0000 0.0000 2674.2635 6214.6082 295.3799 3540.3447 6250.3794 300.4862 PRESSURE: 1014400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1014400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1014400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1014400 0 0 0 0 0 0 0 0 0 TIMING: 1014400 CPU: 4011.71, 0.00395218/step Wall: 4011.71, 0.00395218/step, 1.63093 hours remaining, 113.171875 MB of memory in use. ENERGY: 1014400 638.3811 1829.5904 2011.6988 110.4614 3.1896 -1042.4894 0.0000 0.0000 2662.9416 6213.7736 294.1293 3550.8320 6247.6312 299.1224 PRESSURE: 1014600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1014600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1014600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1014600 0 0 0 0 0 0 0 0 0 TIMING: 1014600 CPU: 4012.49, 0.0039458/step Wall: 4012.49, 0.0039458/step, 1.62808 hours remaining, 113.171875 MB of memory in use. ENERGY: 1014600 677.1238 1778.8461 2007.0754 107.9814 2.6633 -1052.7070 0.0000 0.0000 2744.2801 6265.2630 303.1134 3520.9829 6299.6363 299.8050 PRESSURE: 1014800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1014800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1014800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1014800 0 0 0 0 0 0 0 0 0 TIMING: 1014800 CPU: 4013.28, 0.00395198/step Wall: 4013.28, 0.00395198/step, 1.63041 hours remaining, 113.171875 MB of memory in use. ENERGY: 1014800 684.1446 1825.8230 1986.8710 104.5963 2.0362 -1063.8424 0.0000 0.0000 2715.0150 6254.6437 299.8810 3539.6288 6290.0972 301.5581 PRESSURE: 1015000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1015000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1015000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1015000 0 0 0 0 0 0 0 0 0 TIMING: 1015000 CPU: 4014.08, 0.00395149/step Wall: 4014.08, 0.00395149/step, 1.62999 hours remaining, 113.171875 MB of memory in use. ENERGY: 1015000 590.8781 1873.0993 1991.4545 103.5225 1.1207 -1069.5115 0.0000 0.0000 2700.7479 6191.3115 298.3051 3490.5636 6227.3525 298.8353 PRESSURE: 1015200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1015200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1015200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1015200 0 0 0 0 0 0 0 0 0 TIMING: 1015200 CPU: 4014.86, 0.00394906/step Wall: 4014.86, 0.00394906/step, 1.62877 hours remaining, 113.171875 MB of memory in use. ENERGY: 1015200 648.6095 1794.0512 1978.6192 110.0482 3.0703 -1052.5840 0.0000 0.0000 2736.0296 6217.8439 302.2021 3481.8143 6250.9003 295.8622 PRESSURE: 1015400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1015400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1015400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1015400 0 0 0 0 0 0 0 0 0 TIMING: 1015400 CPU: 4015.66, 0.00395079/step Wall: 4015.66, 0.00395079/step, 1.62926 hours remaining, 113.171875 MB of memory in use. ENERGY: 1015400 660.7411 1820.3196 1971.8666 111.4471 2.7237 -1056.9786 0.0000 0.0000 2671.4306 6181.5501 295.0669 3510.1195 6214.2020 296.8516 PRESSURE: 1015600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1015600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1015600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1015600 0 0 0 0 0 0 0 0 0 TIMING: 1015600 CPU: 4016.44, 0.00394563/step Wall: 4016.44, 0.00394563/step, 1.62691 hours remaining, 113.171875 MB of memory in use. ENERGY: 1015600 616.7898 1840.0634 1974.7263 113.5739 2.7477 -1051.2607 0.0000 0.0000 2677.5740 6174.2144 295.7455 3496.6404 6208.7052 296.6545 PRESSURE: 1015800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1015800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1015800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1015800 0 0 0 0 0 0 0 0 0 TIMING: 1015800 CPU: 4017.23, 0.00395108/step Wall: 4017.23, 0.00395108/step, 1.62894 hours remaining, 113.171875 MB of memory in use. ENERGY: 1015800 628.3412 1811.8533 2011.0206 99.8394 2.5902 -1032.1220 0.0000 0.0000 2715.9802 6237.5029 299.9876 3521.5227 6271.9909 297.2398 PRESSURE: 1016000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1016000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1016000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1016000 0 0 0 0 0 0 0 0 0 TIMING: 1016000 CPU: 4018.02, 0.00395109/step Wall: 4018.02, 0.00395109/step, 1.62873 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1016000 667.0497 1842.8244 1995.9483 95.8225 3.5416 -1097.9120 0.0000 0.0000 2683.6680 6190.9425 296.4186 3507.2745 6222.3626 297.8759 PRESSURE: 1016200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1016200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1016200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1016200 0 0 0 0 0 0 0 0 0 TIMING: 1016200 CPU: 4018.82, 0.0039579/step Wall: 4018.82, 0.0039579/step, 1.63131 hours remaining, 113.171875 MB of memory in use. ENERGY: 1016200 646.5329 1835.3309 1995.6319 121.8094 2.3010 -1078.3331 0.0000 0.0000 2653.5331 6176.8060 293.0901 3523.2729 6208.8755 294.6003 LDB: ============= START OF LOAD BALANCING ============== 4021.78 LDB: ============== END OF LOAD BALANCING =============== 4021.78 LDB: =============== DONE WITH MIGRATION ================ 4021.78 LDB: ============= START OF LOAD BALANCING ============== 4022.17 LDB: ============== END OF LOAD BALANCING =============== 4022.17 LDB: =============== DONE WITH MIGRATION ================ 4022.17 PRESSURE: 1016400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1016400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1016400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1016400 0 0 0 0 0 0 0 0 0 TIMING: 1016400 CPU: 4019.61, 0.00395747/step Wall: 4019.61, 0.00395747/step, 1.63092 hours remaining, 113.171875 MB of memory in use. ENERGY: 1016400 642.8892 1780.6165 1987.0387 110.1086 2.4776 -1055.7838 0.0000 0.0000 2685.9299 6153.2766 296.6684 3467.3467 6187.4627 296.6185 PRESSURE: 1016600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1016600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1016600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1016600 0 0 0 0 0 0 0 0 0 TIMING: 1016600 CPU: 4020.4, 0.00394627/step Wall: 4020.4, 0.00394627/step, 1.62608 hours remaining, 113.171875 MB of memory in use. ENERGY: 1016600 683.8072 1783.9905 2011.9580 102.5429 3.6854 -1086.2633 0.0000 0.0000 2662.3385 6162.0592 294.0627 3499.7207 6193.4732 294.4923 PRESSURE: 1016800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1016800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1016800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1016800 0 0 0 0 0 0 0 0 0 TIMING: 1016800 CPU: 4021.19, 0.00395422/step Wall: 4021.19, 0.00395422/step, 1.62914 hours remaining, 113.171875 MB of memory in use. ENERGY: 1016800 669.1903 1908.0202 1984.3103 107.2477 2.3843 -1084.6279 0.0000 0.0000 2653.9205 6240.4454 293.1329 3586.5248 6270.4392 295.7838 PRESSURE: 1017000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1017000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1017000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1017000 0 0 0 0 0 0 0 0 0 TIMING: 1017000 CPU: 4021.98, 0.003952/step Wall: 4021.98, 0.003952/step, 1.628 hours remaining, 113.171875 MB of memory in use. ENERGY: 1017000 646.1796 1824.8502 1999.7768 108.6736 1.6680 -1071.5544 0.0000 0.0000 2692.0991 6201.6928 297.3498 3509.5937 6236.1251 299.2831 PRESSURE: 1017200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1017200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1017200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1017200 0 0 0 0 0 0 0 0 0 TIMING: 1017200 CPU: 4022.77, 0.00395254/step Wall: 4022.77, 0.00395254/step, 1.62801 hours remaining, 113.171875 MB of memory in use. ENERGY: 1017200 672.2669 1803.4480 2027.9782 116.7497 1.4189 -1097.1882 0.0000 0.0000 2693.0544 6217.7278 297.4554 3524.6734 6252.9733 297.3872 PRESSURE: 1017400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1017400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1017400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1017400 0 0 0 0 0 0 0 0 0 TIMING: 1017400 CPU: 4023.56, 0.00394791/step Wall: 4023.56, 0.00394791/step, 1.62588 hours remaining, 113.171875 MB of memory in use. ENERGY: 1017400 647.5157 1822.4397 2025.9776 111.0590 2.8808 -1102.0937 0.0000 0.0000 2750.0120 6257.7911 303.7465 3507.7791 6292.7397 299.9277 PRESSURE: 1017600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1017600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1017600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1017600 0 0 0 0 0 0 0 0 0 TIMING: 1017600 CPU: 4024.35, 0.00395295/step Wall: 4024.35, 0.00395294/step, 1.62773 hours remaining, 113.171875 MB of memory in use. ENERGY: 1017600 653.0567 1867.7779 1995.4310 107.4935 3.2193 -1091.5391 0.0000 0.0000 2706.4980 6241.9373 298.9402 3535.4394 6275.4178 299.9514 PRESSURE: 1017800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1017800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1017800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1017800 0 0 0 0 0 0 0 0 0 TIMING: 1017800 CPU: 4025.14, 0.00395265/step Wall: 4025.14, 0.00395266/step, 1.6274 hours remaining, 113.171875 MB of memory in use. ENERGY: 1017800 654.7631 1837.8157 1975.4638 104.0238 2.7807 -1060.0114 0.0000 0.0000 2736.6594 6251.4952 302.2717 3514.8358 6287.0627 299.8626 PRESSURE: 1018000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1018000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1018000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1018000 0 0 0 0 0 0 0 0 0 TIMING: 1018000 CPU: 4025.93, 0.00395203/step Wall: 4025.93, 0.00395203/step, 1.62692 hours remaining, 113.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1018000 659.4930 1891.5850 1997.7539 111.5523 2.5028 -1087.6099 0.0000 0.0000 2700.4840 6275.7611 298.2760 3575.2772 6307.4419 300.7399 PRESSURE: 1018200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1018200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1018200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1018200 0 0 0 0 0 0 0 0 0 TIMING: 1018200 CPU: 4026.72, 0.0039519/step Wall: 4026.72, 0.0039519/step, 1.62665 hours remaining, 113.171875 MB of memory in use. ENERGY: 1018200 665.7287 1852.7499 2005.4890 105.3537 3.4435 -1099.2941 0.0000 0.0000 2725.3246 6258.7954 301.0197 3533.4708 6292.1819 299.7118 PRESSURE: 1018400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1018400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1018400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1018400 0 0 0 0 0 0 0 0 0 TIMING: 1018400 CPU: 4027.51, 0.00394832/step Wall: 4027.51, 0.00394832/step, 1.62496 hours remaining, 113.171875 MB of memory in use. ENERGY: 1018400 685.9160 1834.0128 1992.5015 109.8708 1.6587 -1056.9037 0.0000 0.0000 2694.5674 6261.6235 297.6225 3567.0561 6296.1574 302.7903 PRESSURE: 1018600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1018600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1018600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1018600 0 0 0 0 0 0 0 0 0 TIMING: 1018600 CPU: 4028.3, 0.00395161/step Wall: 4028.3, 0.00395161/step, 1.62609 hours remaining, 113.171875 MB of memory in use. ENERGY: 1018600 667.1086 1846.9690 1990.1825 98.3391 2.8814 -1084.7372 0.0000 0.0000 2694.8203 6215.5637 297.6504 3520.7434 6244.8222 298.6681 PRESSURE: 1018800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1018800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1018800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1018800 0 0 0 0 0 0 0 0 0 TIMING: 1018800 CPU: 4029.09, 0.00395319/step Wall: 4029.09, 0.00395319/step, 1.62652 hours remaining, 113.175781 MB of memory in use. ENERGY: 1018800 632.3659 1848.4511 1987.0381 103.9931 3.1037 -1081.8506 0.0000 0.0000 2700.4407 6193.5420 298.2712 3493.1012 6226.0930 298.1079 PRESSURE: 1019000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1019000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1019000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1019000 0 0 0 0 0 0 0 0 0 TIMING: 1019000 CPU: 4029.88, 0.00395283/step Wall: 4029.88, 0.00395283/step, 1.62615 hours remaining, 113.175781 MB of memory in use. ENERGY: 1019000 641.8934 1838.1800 1973.2703 101.1046 2.4162 -1067.2937 0.0000 0.0000 2795.9837 6285.5544 308.8242 3489.5707 6320.5031 300.0551 PRESSURE: 1019200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1019200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1019200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1019200 0 0 0 0 0 0 0 0 0 TIMING: 1019200 CPU: 4030.67, 0.00395128/step Wall: 4030.67, 0.00395128/step, 1.62529 hours remaining, 113.175781 MB of memory in use. ENERGY: 1019200 702.5670 1854.2230 2037.9730 105.3917 2.1583 -1074.6639 0.0000 0.0000 2690.5218 6318.1709 297.1756 3627.6491 6348.5842 303.3950 PRESSURE: 1019400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1019400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1019400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1019400 0 0 0 0 0 0 0 0 0 TIMING: 1019400 CPU: 4031.46, 0.00394554/step Wall: 4031.46, 0.00394554/step, 1.62271 hours remaining, 113.175781 MB of memory in use. ENERGY: 1019400 646.7607 1851.9938 1984.1261 103.9041 2.0345 -1063.6243 0.0000 0.0000 2729.0148 6254.2097 301.4273 3525.1949 6293.0839 302.6149 PRESSURE: 1019600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1019600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1019600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1019600 0 0 0 0 0 0 0 0 0 TIMING: 1019600 CPU: 4032.25, 0.00394958/step Wall: 4032.25, 0.00394958/step, 1.62416 hours remaining, 113.175781 MB of memory in use. ENERGY: 1019600 667.3177 1817.0201 1985.1324 109.7758 2.4184 -1080.8925 0.0000 0.0000 2688.2535 6189.0255 296.9251 3500.7720 6222.7334 298.3421 PRESSURE: 1019800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1019800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1019800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1019800 0 0 0 0 0 0 0 0 0 TIMING: 1019800 CPU: 4033.04, 0.0039499/step Wall: 4033.04, 0.0039499/step, 1.62407 hours remaining, 113.175781 MB of memory in use. ENERGY: 1019800 648.7067 1817.0759 1989.4180 107.2210 3.6649 -1068.5926 0.0000 0.0000 2705.3375 6202.8314 298.8121 3497.4940 6236.9198 297.7943 PRESSURE: 1020000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1020000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1020000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1020000 0 0 0 0 0 0 0 0 0 TIMING: 1020000 CPU: 4033.83, 0.00395002/step Wall: 4033.83, 0.00395002/step, 1.6239 hours remaining, 113.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1020000 621.0380 1844.8776 1999.2079 108.2025 2.8151 -1074.6401 0.0000 0.0000 2694.5367 6196.0377 297.6191 3501.5009 6230.8127 297.8941 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1020000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1020000 WRITING COORDINATES TO RESTART FILE AT STEP 1020000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1020000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1020200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1020200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1020200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1020200 0 0 0 0 0 0 0 0 0 TIMING: 1020200 CPU: 4034.65, 0.00411193/step Wall: 4034.65, 0.00411193/step, 1.69023 hours remaining, 113.175781 MB of memory in use. ENERGY: 1020200 622.8655 1847.3136 1982.7302 100.8819 2.1621 -1066.1477 0.0000 0.0000 2698.4292 6188.2347 298.0490 3489.8055 6221.7821 299.2927 LDB: ============= START OF LOAD BALANCING ============== 4037.61 LDB: ============== END OF LOAD BALANCING =============== 4037.61 LDB: =============== DONE WITH MIGRATION ================ 4037.61 LDB: ============= START OF LOAD BALANCING ============== 4038.01 LDB: ============== END OF LOAD BALANCING =============== 4038.01 LDB: =============== DONE WITH MIGRATION ================ 4038.01 PRESSURE: 1020400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1020400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1020400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1020400 0 0 0 0 0 0 0 0 0 TIMING: 1020400 CPU: 4035.44, 0.00395083/step Wall: 4035.44, 0.00395083/step, 1.62379 hours remaining, 113.175781 MB of memory in use. ENERGY: 1020400 654.9619 1863.7494 2000.6223 108.9981 2.1075 -1091.3293 0.0000 0.0000 2645.4526 6184.5625 292.1976 3539.1099 6219.4963 296.2949 PRESSURE: 1020600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1020600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1020600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1020600 0 0 0 0 0 0 0 0 0 TIMING: 1020600 CPU: 4036.23, 0.00394994/step Wall: 4036.23, 0.00394994/step, 1.62321 hours remaining, 113.175781 MB of memory in use. ENERGY: 1020600 669.8934 1802.5363 1974.4528 112.4499 1.9562 -1078.7120 0.0000 0.0000 2686.9563 6169.5329 296.7818 3482.5766 6202.1857 295.8727 PRESSURE: 1020800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1020800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1020800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1020800 0 0 0 0 0 0 0 0 0 TIMING: 1020800 CPU: 4037.02, 0.00395069/step Wall: 4037.02, 0.00395069/step, 1.62329 hours remaining, 113.175781 MB of memory in use. ENERGY: 1020800 636.0312 1837.1815 1964.4403 103.8126 0.5796 -1068.1509 0.0000 0.0000 2638.5094 6112.4037 291.4307 3473.8944 6143.6887 294.5385 PRESSURE: 1021000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1021000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1021000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1021000 0 0 0 0 0 0 0 0 0 TIMING: 1021000 CPU: 4037.81, 0.00395038/step Wall: 4037.81, 0.00395038/step, 1.62295 hours remaining, 113.175781 MB of memory in use. ENERGY: 1021000 587.5344 1793.9697 1977.0825 100.0421 2.3351 -1046.0433 0.0000 0.0000 2687.2098 6102.1304 296.8098 3414.9206 6136.2021 291.8823 PRESSURE: 1021200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1021200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1021200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1021200 0 0 0 0 0 0 0 0 0 TIMING: 1021200 CPU: 4038.6, 0.00394983/step Wall: 4038.6, 0.00394983/step, 1.6225 hours remaining, 113.175781 MB of memory in use. ENERGY: 1021200 631.5355 1865.1728 1989.1183 103.7955 2.1362 -1104.9003 0.0000 0.0000 2635.6401 6122.4981 291.1138 3486.8580 6152.3050 292.1073 PRESSURE: 1021400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1021400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1021400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1021400 0 0 0 0 0 0 0 0 0 TIMING: 1021400 CPU: 4039.39, 0.00394717/step Wall: 4039.39, 0.00394717/step, 1.62119 hours remaining, 113.175781 MB of memory in use. ENERGY: 1021400 667.9620 1803.6249 1981.4234 96.9117 0.8770 -1086.2267 0.0000 0.0000 2657.0909 6121.6632 293.4831 3464.5723 6152.7557 294.0826 PRESSURE: 1021600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1021600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1021600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1021600 0 0 0 0 0 0 0 0 0 TIMING: 1021600 CPU: 4040.18, 0.00395164/step Wall: 4040.18, 0.00395164/step, 1.62281 hours remaining, 113.175781 MB of memory in use. ENERGY: 1021600 632.1779 1792.3828 1965.4470 93.6227 1.4547 -1095.4311 0.0000 0.0000 2720.2701 6109.9242 300.4614 3389.6541 6146.0441 294.8454 PRESSURE: 1021800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1021800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1021800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1021800 0 0 0 0 0 0 0 0 0 TIMING: 1021800 CPU: 4040.97, 0.0039508/step Wall: 4040.97, 0.0039508/step, 1.62224 hours remaining, 113.175781 MB of memory in use. ENERGY: 1021800 647.9247 1721.1543 2012.2654 111.2209 1.7252 -1089.0092 0.0000 0.0000 2747.4273 6152.7086 303.4610 3405.2813 6188.4192 293.7398 PRESSURE: 1022000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1022000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1022000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1022000 0 0 0 0 0 0 0 0 0 TIMING: 1022000 CPU: 4041.76, 0.00395184/step Wall: 4041.76, 0.00395184/step, 1.62245 hours remaining, 113.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1022000 656.9942 1848.8418 1976.8755 93.7970 2.1391 -1092.2434 0.0000 0.0000 2662.9880 6149.3922 294.1344 3486.4042 6179.8462 295.5496 PRESSURE: 1022200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1022200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1022200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1022200 0 0 0 0 0 0 0 0 0 TIMING: 1022200 CPU: 4042.55, 0.00394813/step Wall: 4042.55, 0.00394813/step, 1.62071 hours remaining, 113.175781 MB of memory in use. ENERGY: 1022200 618.4789 1855.7923 1996.3195 122.2233 1.2086 -1068.2034 0.0000 0.0000 2613.6519 6139.4710 288.6851 3525.8192 6170.4633 294.8658 PRESSURE: 1022400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1022400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1022400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1022400 0 0 0 0 0 0 0 0 0 TIMING: 1022400 CPU: 4043.34, 0.00395261/step Wall: 4043.34, 0.0039526/step, 1.62232 hours remaining, 113.175781 MB of memory in use. ENERGY: 1022400 697.1601 1862.5426 1963.4399 110.5643 1.6894 -1112.2065 0.0000 0.0000 2676.2960 6199.4858 295.6043 3523.1898 6229.3835 294.1798 PRESSURE: 1022600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1022600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1022600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1022600 0 0 0 0 0 0 0 0 0 TIMING: 1022600 CPU: 4044.13, 0.00395229/step Wall: 4044.13, 0.00395229/step, 1.62198 hours remaining, 113.175781 MB of memory in use. ENERGY: 1022600 670.3130 1788.0869 1998.0802 117.5133 1.0108 -1084.6513 0.0000 0.0000 2710.9643 6201.3172 299.4336 3490.3529 6235.6193 297.2761 PRESSURE: 1022800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1022800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1022800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1022800 0 0 0 0 0 0 0 0 0 TIMING: 1022800 CPU: 4044.92, 0.00395078/step Wall: 4044.92, 0.00395078/step, 1.62114 hours remaining, 113.175781 MB of memory in use. ENERGY: 1022800 681.6916 1851.3780 1989.9125 116.6039 1.4281 -1110.1824 0.0000 0.0000 2716.3914 6247.2231 300.0330 3530.8317 6281.6687 297.7885 PRESSURE: 1023000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1023000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1023000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1023000 0 0 0 0 0 0 0 0 0 TIMING: 1023000 CPU: 4045.72, 0.00395297/step Wall: 4045.72, 0.00395297/step, 1.62181 hours remaining, 113.296875 MB of memory in use. ENERGY: 1023000 688.5405 1825.6740 1983.5245 97.3301 2.1417 -1106.1077 0.0000 0.0000 2743.7956 6234.8986 303.0599 3491.1030 6267.5840 298.1972 PRESSURE: 1023200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1023200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1023200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1023200 0 0 0 0 0 0 0 0 0 TIMING: 1023200 CPU: 4046.5, 0.00394808/step Wall: 4046.5, 0.00394808/step, 1.61959 hours remaining, 113.296875 MB of memory in use. ENERGY: 1023200 702.3677 1811.4946 1990.6248 102.0111 2.4088 -1125.7825 0.0000 0.0000 2685.5006 6168.6252 296.6210 3483.1245 6203.9912 297.1284 PRESSURE: 1023400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1023400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1023400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1023400 0 0 0 0 0 0 0 0 0 TIMING: 1023400 CPU: 4047.3, 0.00395247/step Wall: 4047.3, 0.00395247/step, 1.62117 hours remaining, 113.296875 MB of memory in use. ENERGY: 1023400 596.3828 1826.2445 2010.3065 104.6330 1.5726 -1107.0182 0.0000 0.0000 2724.8966 6157.0178 300.9724 3432.1211 6191.2907 297.3295 PRESSURE: 1023600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1023600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1023600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1023600 0 0 0 0 0 0 0 0 0 TIMING: 1023600 CPU: 4048.09, 0.00395106/step Wall: 4048.09, 0.00395106/step, 1.62037 hours remaining, 113.300781 MB of memory in use. ENERGY: 1023600 637.4167 1785.3432 1976.8117 95.8501 3.4997 -1095.9093 0.0000 0.0000 2709.7784 6112.7905 299.3026 3403.0121 6145.3547 295.2196 PRESSURE: 1023800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1023800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1023800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1023800 0 0 0 0 0 0 0 0 0 TIMING: 1023800 CPU: 4048.88, 0.00395039/step Wall: 4048.88, 0.00395039/step, 1.61988 hours remaining, 113.300781 MB of memory in use. ENERGY: 1023800 675.2622 1818.9091 1994.2223 101.8361 2.9318 -1099.2490 0.0000 0.0000 2672.5081 6166.4207 295.1860 3493.9125 6200.4450 295.7210 PRESSURE: 1024000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1024000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1024000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1024000 0 0 0 0 0 0 0 0 0 TIMING: 1024000 CPU: 4049.67, 0.00395078/step Wall: 4049.67, 0.00395078/step, 1.61982 hours remaining, 113.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1024000 650.0849 1815.2021 1985.2417 111.5110 3.3724 -1049.3308 0.0000 0.0000 2704.1960 6220.2775 298.6860 3516.0814 6253.4412 296.6306 PRESSURE: 1024200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1024200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1024200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1024200 0 0 0 0 0 0 0 0 0 TIMING: 1024200 CPU: 4050.45, 0.00394613/step Wall: 4050.45, 0.00394613/step, 1.61769 hours remaining, 113.300781 MB of memory in use. ENERGY: 1024200 663.4606 1825.1383 1977.2879 118.4709 2.7891 -1095.8759 0.0000 0.0000 2698.0500 6189.3209 298.0071 3491.2709 6220.9301 300.5849 LDB: ============= START OF LOAD BALANCING ============== 4053.41 LDB: ============== END OF LOAD BALANCING =============== 4053.41 LDB: =============== DONE WITH MIGRATION ================ 4053.41 LDB: ============= START OF LOAD BALANCING ============== 4053.81 LDB: ============== END OF LOAD BALANCING =============== 4053.81 LDB: =============== DONE WITH MIGRATION ================ 4053.81 PRESSURE: 1024400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1024400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1024400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1024400 0 0 0 0 0 0 0 0 0 TIMING: 1024400 CPU: 4051.25, 0.0039573/step Wall: 4051.25, 0.0039573/step, 1.62206 hours remaining, 113.300781 MB of memory in use. ENERGY: 1024400 659.4660 1890.8837 1978.5106 99.5383 2.6202 -1097.9439 0.0000 0.0000 2677.1182 6210.1932 295.6952 3533.0750 6243.2869 297.0649 PRESSURE: 1024600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1024600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1024600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1024600 0 0 0 0 0 0 0 0 0 TIMING: 1024600 CPU: 4052.04, 0.00395414/step Wall: 4052.04, 0.00395414/step, 1.62054 hours remaining, 113.300781 MB of memory in use. ENERGY: 1024600 629.2552 1868.0932 2002.8524 112.8394 3.3708 -1096.6547 0.0000 0.0000 2656.8467 6176.6031 293.4561 3519.7564 6210.7546 299.7966 PRESSURE: 1024800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1024800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1024800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1024800 0 0 0 0 0 0 0 0 0 TIMING: 1024800 CPU: 4052.83, 0.00395314/step Wall: 4052.83, 0.00395314/step, 1.61991 hours remaining, 113.300781 MB of memory in use. ENERGY: 1024800 662.4257 1827.4217 2011.3459 122.0964 2.9993 -1092.0333 0.0000 0.0000 2669.0201 6203.2758 294.8007 3534.2557 6236.5259 299.9887 PRESSURE: 1025000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1025000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1025000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1025000 0 0 0 0 0 0 0 0 0 TIMING: 1025000 CPU: 4053.62, 0.00395069/step Wall: 4053.62, 0.00395069/step, 1.61868 hours remaining, 113.300781 MB of memory in use. ENERGY: 1025000 658.8798 1837.7138 1980.6182 106.0768 3.7003 -1099.4445 0.0000 0.0000 2692.6183 6180.1626 297.4072 3487.5443 6212.7744 297.6482 PRESSURE: 1025200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1025200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1025200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1025200 0 0 0 0 0 0 0 0 0 TIMING: 1025200 CPU: 4054.41, 0.00395248/step Wall: 4054.41, 0.00395248/step, 1.6192 hours remaining, 113.300781 MB of memory in use. ENERGY: 1025200 633.3297 1852.9761 1982.8763 107.1718 2.6764 -1068.2139 0.0000 0.0000 2688.5135 6199.3301 296.9538 3510.8165 6234.4750 297.7760 PRESSURE: 1025400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1025400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1025400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1025400 0 0 0 0 0 0 0 0 0 TIMING: 1025400 CPU: 4055.2, 0.00395507/step Wall: 4055.2, 0.00395507/step, 1.62004 hours remaining, 113.300781 MB of memory in use. ENERGY: 1025400 675.2103 1825.6990 1977.0121 95.8227 1.7628 -1037.0231 0.0000 0.0000 2704.0332 6242.5170 298.6680 3538.4839 6275.7134 299.4124 PRESSURE: 1025600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1025600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1025600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1025600 0 0 0 0 0 0 0 0 0 TIMING: 1025600 CPU: 4055.99, 0.00395314/step Wall: 4055.99, 0.00395314/step, 1.61903 hours remaining, 113.300781 MB of memory in use. ENERGY: 1025600 668.1044 1839.4806 1988.1202 103.5363 3.3010 -1092.1056 0.0000 0.0000 2686.7311 6197.1680 296.7569 3510.4369 6232.4984 298.7924 PRESSURE: 1025800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1025800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1025800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1025800 0 0 0 0 0 0 0 0 0 TIMING: 1025800 CPU: 4056.78, 0.00395368/step Wall: 4056.78, 0.00395368/step, 1.61903 hours remaining, 113.300781 MB of memory in use. ENERGY: 1025800 644.1680 1863.3655 1967.9402 108.2177 2.4418 -1079.2968 0.0000 0.0000 2714.8833 6221.7197 299.8664 3506.8364 6257.2726 298.0955 PRESSURE: 1026000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1026000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1026000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1026000 0 0 0 0 0 0 0 0 0 TIMING: 1026000 CPU: 4057.57, 0.00394892/step Wall: 4057.57, 0.00394892/step, 1.61686 hours remaining, 113.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1026000 674.9591 1887.5060 1999.2879 106.5818 3.1815 -1063.0001 0.0000 0.0000 2695.7793 6304.2955 297.7563 3608.5162 6336.9314 300.8019 PRESSURE: 1026200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1026200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1026200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1026200 0 0 0 0 0 0 0 0 0 TIMING: 1026200 CPU: 4058.36, 0.00395445/step Wall: 4058.36, 0.00395445/step, 1.61891 hours remaining, 113.300781 MB of memory in use. ENERGY: 1026200 630.2773 1884.9186 1999.6558 113.8109 3.0158 -1062.7517 0.0000 0.0000 2730.2988 6299.2256 301.5691 3568.9268 6331.8762 304.3454 PRESSURE: 1026400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1026400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1026400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1026400 0 0 0 0 0 0 0 0 0 TIMING: 1026400 CPU: 4059.16, 0.00396785/step Wall: 4059.16, 0.00396786/step, 1.62418 hours remaining, 113.300781 MB of memory in use. ENERGY: 1026400 651.9470 1841.8781 2030.5483 105.9879 3.1602 -1056.3053 0.0000 0.0000 2746.1361 6323.3523 303.3184 3577.2162 6354.1990 303.3171 PRESSURE: 1026600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1026600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1026600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1026600 0 0 0 0 0 0 0 0 0 TIMING: 1026600 CPU: 4059.95, 0.00395346/step Wall: 4059.95, 0.00395346/step, 1.61806 hours remaining, 113.300781 MB of memory in use. ENERGY: 1026600 675.3456 1887.8686 1990.6557 98.6831 2.9471 -1051.7776 0.0000 0.0000 2732.9078 6336.6303 301.8573 3603.7225 6370.8006 305.9470 PRESSURE: 1026800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1026800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1026800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1026800 0 0 0 0 0 0 0 0 0 TIMING: 1026800 CPU: 4060.74, 0.00395375/step Wall: 4060.74, 0.00395375/step, 1.61796 hours remaining, 113.300781 MB of memory in use. ENERGY: 1026800 661.2683 1887.8155 1999.8436 107.6223 2.2568 -1060.6848 0.0000 0.0000 2727.3073 6325.4291 301.2387 3598.1218 6358.3959 303.0789 PRESSURE: 1027000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1027000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1027000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1027000 0 0 0 0 0 0 0 0 0 TIMING: 1027000 CPU: 4061.53, 0.00394919/step Wall: 4061.53, 0.00394919/step, 1.61588 hours remaining, 113.300781 MB of memory in use. ENERGY: 1027000 653.8103 1829.0353 2037.2683 106.4884 1.1245 -1072.5606 0.0000 0.0000 2704.6030 6259.7691 298.7309 3555.1661 6291.7062 300.6240 PRESSURE: 1027200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1027200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1027200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1027200 0 0 0 0 0 0 0 0 0 TIMING: 1027200 CPU: 4062.32, 0.00395502/step Wall: 4062.32, 0.00395502/step, 1.61804 hours remaining, 113.300781 MB of memory in use. ENERGY: 1027200 646.2319 1805.5995 2011.8406 112.2973 2.3609 -1084.1369 0.0000 0.0000 2715.2004 6209.3937 299.9014 3494.1933 6241.0137 300.5853 PRESSURE: 1027400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1027400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1027400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1027400 0 0 0 0 0 0 0 0 0 TIMING: 1027400 CPU: 4063.11, 0.00397241/step Wall: 4063.11, 0.00397241/step, 1.62494 hours remaining, 113.300781 MB of memory in use. ENERGY: 1027400 650.1774 1837.5345 1983.8115 118.5906 3.6549 -1053.9237 0.0000 0.0000 2652.8343 6192.6795 293.0129 3539.8452 6225.7329 297.5154 PRESSURE: 1027600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1027600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1027600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1027600 0 0 0 0 0 0 0 0 0 TIMING: 1027600 CPU: 4063.91, 0.00397815/step Wall: 4063.91, 0.00397815/step, 1.62707 hours remaining, 113.300781 MB of memory in use. ENERGY: 1027600 675.5344 1813.3749 2015.5180 107.4055 2.4822 -1128.9838 0.0000 0.0000 2685.8520 6171.1832 296.6598 3485.3312 6204.7070 297.9286 PRESSURE: 1027800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1027800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1027800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1027800 0 0 0 0 0 0 0 0 0 TIMING: 1027800 CPU: 4064.7, 0.00396183/step Wall: 4064.7, 0.00396183/step, 1.62017 hours remaining, 113.300781 MB of memory in use. ENERGY: 1027800 633.5529 1796.0960 1960.3192 105.7384 3.2816 -1048.4961 0.0000 0.0000 2704.8398 6155.3317 298.7571 3450.4920 6188.0956 294.3013 PRESSURE: 1028000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1028000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1028000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1028000 0 0 0 0 0 0 0 0 0 TIMING: 1028000 CPU: 4065.49, 0.0039513/step Wall: 4065.49, 0.0039513/step, 1.61564 hours remaining, 113.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1028000 635.6449 1808.8363 2022.6325 101.7653 2.2647 -1061.2117 0.0000 0.0000 2668.6037 6178.5358 294.7547 3509.9321 6211.7082 295.2035 PRESSURE: 1028200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1028200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1028200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1028200 0 0 0 0 0 0 0 0 0 TIMING: 1028200 CPU: 4066.28, 0.00395447/step Wall: 4066.28, 0.00395447/step, 1.61672 hours remaining, 113.300781 MB of memory in use. ENERGY: 1028200 634.5655 1851.3224 2007.8210 103.8445 2.0122 -1093.6188 0.0000 0.0000 2715.4387 6221.3854 299.9278 3505.9467 6253.4582 297.4814 LDB: ============= START OF LOAD BALANCING ============== 4069.24 LDB: ============== END OF LOAD BALANCING =============== 4069.24 LDB: =============== DONE WITH MIGRATION ================ 4069.24 LDB: ============= START OF LOAD BALANCING ============== 4069.64 LDB: ============== END OF LOAD BALANCING =============== 4069.64 LDB: =============== DONE WITH MIGRATION ================ 4069.64 PRESSURE: 1028400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1028400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1028400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1028400 0 0 0 0 0 0 0 0 0 TIMING: 1028400 CPU: 4067.07, 0.00395817/step Wall: 4067.07, 0.00395817/step, 1.61801 hours remaining, 113.300781 MB of memory in use. ENERGY: 1028400 650.9626 1813.3639 1989.8801 113.6487 1.3497 -1084.4005 0.0000 0.0000 2747.5565 6232.3609 303.4753 3484.8045 6267.9615 298.0973 PRESSURE: 1028600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1028600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1028600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1028600 0 0 0 0 0 0 0 0 0 TIMING: 1028600 CPU: 4067.86, 0.00395295/step Wall: 4067.86, 0.00395295/step, 1.61566 hours remaining, 113.300781 MB of memory in use. ENERGY: 1028600 684.5281 1842.5850 2012.9184 110.5860 2.4533 -1101.6016 0.0000 0.0000 2705.8312 6257.3002 298.8666 3551.4691 6288.0070 301.0541 PRESSURE: 1028800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1028800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1028800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1028800 0 0 0 0 0 0 0 0 0 TIMING: 1028800 CPU: 4068.65, 0.00394886/step Wall: 4068.65, 0.00394886/step, 1.61377 hours remaining, 113.300781 MB of memory in use. ENERGY: 1028800 659.3985 1860.9889 1983.4823 95.2716 2.9770 -1107.4033 0.0000 0.0000 2688.2375 6182.9526 296.9233 3494.7150 6216.5575 297.5973 PRESSURE: 1029000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1029000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1029000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1029000 0 0 0 0 0 0 0 0 0 TIMING: 1029000 CPU: 4069.44, 0.0039515/step Wall: 4069.44, 0.0039515/step, 1.61463 hours remaining, 113.300781 MB of memory in use. ENERGY: 1029000 647.8862 1855.0898 2011.0056 108.3295 2.3750 -1065.9095 0.0000 0.0000 2637.0170 6195.7936 291.2659 3558.7766 6227.5273 295.6136 PRESSURE: 1029200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1029200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1029200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1029200 0 0 0 0 0 0 0 0 0 TIMING: 1029200 CPU: 4070.23, 0.0039543/step Wall: 4070.23, 0.0039543/step, 1.61555 hours remaining, 113.300781 MB of memory in use. ENERGY: 1029200 651.2791 1842.5990 2031.8680 114.8181 2.4448 -1098.1009 0.0000 0.0000 2680.9907 6225.8987 296.1229 3544.9080 6256.2615 297.6366 PRESSURE: 1029400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1029400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1029400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1029400 0 0 0 0 0 0 0 0 0 TIMING: 1029400 CPU: 4071.02, 0.00395414/step Wall: 4071.02, 0.00395414/step, 1.61526 hours remaining, 113.300781 MB of memory in use. ENERGY: 1029400 662.6623 1836.6086 2000.3314 108.0933 2.0833 -1100.2459 0.0000 0.0000 2728.2712 6237.8043 301.3452 3509.5331 6270.7188 300.4869 PRESSURE: 1029600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1029600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1029600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1029600 0 0 0 0 0 0 0 0 0 TIMING: 1029600 CPU: 4071.82, 0.00395381/step Wall: 4071.82, 0.00395381/step, 1.61491 hours remaining, 113.300781 MB of memory in use. ENERGY: 1029600 630.4040 1892.8810 1994.0890 109.7542 3.2494 -1057.0679 0.0000 0.0000 2731.9691 6305.2789 301.7536 3573.3098 6338.2355 301.6223 PRESSURE: 1029800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1029800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1029800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1029800 0 0 0 0 0 0 0 0 0 TIMING: 1029800 CPU: 4072.61, 0.00394905/step Wall: 4072.61, 0.00394905/step, 1.61275 hours remaining, 113.300781 MB of memory in use. ENERGY: 1029800 651.5403 1900.0293 2006.0963 96.9935 2.5225 -1053.8395 0.0000 0.0000 2745.3622 6348.7047 303.2329 3603.3425 6384.3968 303.6283 PRESSURE: 1030000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1030000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1030000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1030000 0 0 0 0 0 0 0 0 0 TIMING: 1030000 CPU: 4073.4, 0.00395639/step Wall: 4073.4, 0.00395639/step, 1.61553 hours remaining, 113.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1030000 651.9454 1867.2398 2021.5855 96.3253 2.6960 -1073.1296 0.0000 0.0000 2709.0590 6275.7213 299.2231 3566.6623 6310.4099 301.8167 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1030000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1030000 WRITING COORDINATES TO RESTART FILE AT STEP 1030000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1030000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1030200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1030200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1030200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1030200 0 0 0 0 0 0 0 0 0 TIMING: 1030200 CPU: 4074.22, 0.00413051/step Wall: 4074.22, 0.00413051/step, 1.68639 hours remaining, 113.300781 MB of memory in use. ENERGY: 1030200 667.5107 1921.7811 1996.7827 105.1430 2.5210 -1083.2092 0.0000 0.0000 2698.1143 6308.6437 298.0142 3610.5294 6338.9444 303.9598 PRESSURE: 1030400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1030400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1030400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1030400 0 0 0 0 0 0 0 0 0 TIMING: 1030400 CPU: 4075.01, 0.0039547/step Wall: 4075.01, 0.0039547/step, 1.6144 hours remaining, 113.300781 MB of memory in use. ENERGY: 1030400 634.9868 1836.5187 2016.2021 112.4488 1.4536 -1062.1468 0.0000 0.0000 2746.8900 6286.3533 303.4016 3539.4634 6319.1054 302.3168 PRESSURE: 1030600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1030600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1030600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1030600 0 0 0 0 0 0 0 0 0 TIMING: 1030600 CPU: 4075.8, 0.00395398/step Wall: 4075.8, 0.00395398/step, 1.61388 hours remaining, 113.300781 MB of memory in use. ENERGY: 1030600 663.1062 1823.6671 1981.8586 112.6355 1.4447 -1080.6342 0.0000 0.0000 2728.5622 6230.6402 301.3773 3502.0779 6267.3716 301.1227 PRESSURE: 1030800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1030800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1030800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1030800 0 0 0 0 0 0 0 0 0 TIMING: 1030800 CPU: 4076.59, 0.00394906/step Wall: 4076.59, 0.00394906/step, 1.61166 hours remaining, 113.300781 MB of memory in use. ENERGY: 1030800 626.4676 1838.2595 2001.0123 106.7612 2.6390 -1068.0595 0.0000 0.0000 2716.6047 6223.6848 300.0566 3507.0801 6256.5430 300.0111 PRESSURE: 1031000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1031000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1031000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1031000 0 0 0 0 0 0 0 0 0 TIMING: 1031000 CPU: 4077.39, 0.00395464/step Wall: 4077.39, 0.00395464/step, 1.61371 hours remaining, 113.300781 MB of memory in use. ENERGY: 1031000 679.8793 1806.7965 2010.2408 113.2065 1.9910 -1137.0754 0.0000 0.0000 2757.3074 6232.3462 304.5523 3475.0388 6267.4930 298.9388 PRESSURE: 1031200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1031200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1031200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1031200 0 0 0 0 0 0 0 0 0 TIMING: 1031200 CPU: 4078.18, 0.00395437/step Wall: 4078.18, 0.00395437/step, 1.61338 hours remaining, 113.300781 MB of memory in use. ENERGY: 1031200 629.7070 1833.6267 1983.7752 107.3186 2.9252 -1076.3971 0.0000 0.0000 2735.1283 6216.0838 302.1025 3480.9555 6252.1845 301.0125 PRESSURE: 1031400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1031400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1031400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1031400 0 0 0 0 0 0 0 0 0 TIMING: 1031400 CPU: 4078.97, 0.00395406/step Wall: 4078.97, 0.00395406/step, 1.61304 hours remaining, 113.300781 MB of memory in use. ENERGY: 1031400 650.8696 1853.8219 1978.7466 103.3288 2.7017 -1069.2853 0.0000 0.0000 2740.4047 6260.5879 302.6853 3520.1832 6295.9106 300.3787 PRESSURE: 1031600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1031600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1031600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1031600 0 0 0 0 0 0 0 0 0 TIMING: 1031600 CPU: 4079.76, 0.00395391/step Wall: 4079.76, 0.00395391/step, 1.61276 hours remaining, 113.300781 MB of memory in use. ENERGY: 1031600 691.5143 1931.4168 1993.3248 103.9414 2.2311 -1099.3497 0.0000 0.0000 2690.6153 6313.6940 297.1860 3623.0786 6342.1688 302.4794 PRESSURE: 1031800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1031800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1031800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1031800 0 0 0 0 0 0 0 0 0 TIMING: 1031800 CPU: 4080.55, 0.00394745/step Wall: 4080.55, 0.00394745/step, 1.6099 hours remaining, 113.300781 MB of memory in use. ENERGY: 1031800 654.7936 1860.7474 2023.4175 112.8542 0.6291 -1098.3942 0.0000 0.0000 2725.7078 6279.7554 301.0620 3554.0476 6311.8455 302.9686 PRESSURE: 1032000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1032000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1032000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1032000 0 0 0 0 0 0 0 0 0 TIMING: 1032000 CPU: 4081.34, 0.0039546/step Wall: 4081.34, 0.0039546/step, 1.6126 hours remaining, 113.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1032000 646.3114 1852.8309 1991.5046 120.7508 2.7181 -1056.4998 0.0000 0.0000 2781.2324 6338.8484 307.1949 3557.6160 6372.3687 303.9988 PRESSURE: 1032200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1032200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1032200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1032200 0 0 0 0 0 0 0 0 0 TIMING: 1032200 CPU: 4082.13, 0.00395334/step Wall: 4082.13, 0.00395334/step, 1.61186 hours remaining, 113.300781 MB of memory in use. ENERGY: 1032200 650.5596 1849.0199 1991.6698 105.7793 2.7843 -1050.2300 0.0000 0.0000 2758.7109 6308.2937 304.7073 3549.5828 6341.6104 305.5556 LDB: ============= START OF LOAD BALANCING ============== 4085.09 LDB: ============== END OF LOAD BALANCING =============== 4085.09 LDB: =============== DONE WITH MIGRATION ================ 4085.09 LDB: ============= START OF LOAD BALANCING ============== 4085.48 LDB: ============== END OF LOAD BALANCING =============== 4085.48 LDB: =============== DONE WITH MIGRATION ================ 4085.48 PRESSURE: 1032400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1032400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1032400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1032400 0 0 0 0 0 0 0 0 0 TIMING: 1032400 CPU: 4082.92, 0.0039574/step Wall: 4082.92, 0.0039574/step, 1.6133 hours remaining, 113.300781 MB of memory in use. ENERGY: 1032400 680.5845 1881.3641 2006.6345 101.1091 2.1545 -1086.7223 0.0000 0.0000 2706.8759 6292.0002 298.9820 3585.1244 6322.4647 304.0220 PRESSURE: 1032600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1032600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1032600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1032600 0 0 0 0 0 0 0 0 0 TIMING: 1032600 CPU: 4083.71, 0.00395293/step Wall: 4083.71, 0.00395293/step, 1.61126 hours remaining, 113.304688 MB of memory in use. ENERGY: 1032600 663.9937 1854.5568 1980.3646 115.3448 2.6149 -1102.4993 0.0000 0.0000 2714.1909 6228.5662 299.7899 3514.3754 6262.1779 302.2197 PRESSURE: 1032800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1032800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1032800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1032800 0 0 0 0 0 0 0 0 0 TIMING: 1032800 CPU: 4084.5, 0.00394785/step Wall: 4084.5, 0.00394785/step, 1.60897 hours remaining, 113.304688 MB of memory in use. ENERGY: 1032800 671.9519 1860.6838 2001.0445 101.3268 2.1231 -1100.5213 0.0000 0.0000 2653.2876 6189.8964 293.0630 3536.6088 6221.9125 298.8403 PRESSURE: 1033000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1033000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1033000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1033000 0 0 0 0 0 0 0 0 0 TIMING: 1033000 CPU: 4085.29, 0.00395274/step Wall: 4085.29, 0.00395274/step, 1.61074 hours remaining, 113.304688 MB of memory in use. ENERGY: 1033000 647.5798 1872.3155 2004.5282 102.5415 0.9397 -1071.6734 0.0000 0.0000 2700.7643 6256.9955 298.3069 3556.2312 6286.2733 298.1538 PRESSURE: 1033200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1033200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1033200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1033200 0 0 0 0 0 0 0 0 0 TIMING: 1033200 CPU: 4086.08, 0.0039525/step Wall: 4086.08, 0.0039525/step, 1.61042 hours remaining, 113.304688 MB of memory in use. ENERGY: 1033200 702.9574 1839.6005 2025.3113 116.8062 2.4172 -1077.9599 0.0000 0.0000 2701.2649 6310.3976 298.3622 3609.1327 6340.7567 302.9876 PRESSURE: 1033400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1033400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1033400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1033400 0 0 0 0 0 0 0 0 0 TIMING: 1033400 CPU: 4086.87, 0.00395329/step Wall: 4086.87, 0.00395329/step, 1.61053 hours remaining, 113.308594 MB of memory in use. ENERGY: 1033400 683.5508 1834.6885 2019.4552 112.4181 1.6781 -1045.2131 0.0000 0.0000 2745.8303 6352.4078 303.2846 3606.5775 6387.8262 304.0596 PRESSURE: 1033600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1033600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1033600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1033600 0 0 0 0 0 0 0 0 0 TIMING: 1033600 CPU: 4087.66, 0.00394968/step Wall: 4087.66, 0.00394968/step, 1.60883 hours remaining, 113.308594 MB of memory in use. ENERGY: 1033600 650.6457 1833.8637 1963.0500 99.7809 3.2851 -1084.3114 0.0000 0.0000 2792.1742 6258.4882 308.4034 3466.3139 6295.9709 304.2253 PRESSURE: 1033800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1033800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1033800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1033800 0 0 0 0 0 0 0 0 0 TIMING: 1033800 CPU: 4088.45, 0.0039544/step Wall: 4088.45, 0.0039544/step, 1.61054 hours remaining, 113.308594 MB of memory in use. ENERGY: 1033800 673.4792 1863.2017 1977.4756 117.2105 2.0961 -1072.5994 0.0000 0.0000 2681.2262 6242.0899 296.1489 3560.8637 6272.5374 299.0034 PRESSURE: 1034000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1034000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1034000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1034000 0 0 0 0 0 0 0 0 0 TIMING: 1034000 CPU: 4089.24, 0.0039538/step Wall: 4089.24, 0.0039538/step, 1.61008 hours remaining, 113.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1034000 652.1416 1839.3965 2010.4591 106.2719 2.5325 -1077.9665 0.0000 0.0000 2676.0099 6208.8449 295.5727 3532.8350 6240.8691 297.5553 PRESSURE: 1034200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1034200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1034200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1034200 0 0 0 0 0 0 0 0 0 TIMING: 1034200 CPU: 4090.03, 0.00395465/step Wall: 4090.03, 0.00395465/step, 1.6102 hours remaining, 113.308594 MB of memory in use. ENERGY: 1034200 665.9853 1789.1038 2008.8454 99.8436 0.9923 -1054.0194 0.0000 0.0000 2722.6082 6233.3593 300.7197 3510.7511 6265.5493 297.8091 PRESSURE: 1034400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1034400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1034400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1034400 0 0 0 0 0 0 0 0 0 TIMING: 1034400 CPU: 4090.83, 0.00395619/step Wall: 4090.83, 0.00395619/step, 1.61061 hours remaining, 113.308594 MB of memory in use. ENERGY: 1034400 658.1366 1857.7367 2012.5925 109.1440 0.9500 -1085.8301 0.0000 0.0000 2694.9577 6247.6874 297.6656 3552.7297 6281.3787 300.2434 PRESSURE: 1034600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1034600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1034600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1034600 0 0 0 0 0 0 0 0 0 TIMING: 1034600 CPU: 4091.62, 0.00395077/step Wall: 4091.62, 0.00395077/step, 1.60818 hours remaining, 113.308594 MB of memory in use. ENERGY: 1034600 664.6740 1848.4502 1994.2070 112.3414 0.9601 -1075.8532 0.0000 0.0000 2696.4410 6241.2204 297.8294 3544.7795 6276.8654 299.7831 PRESSURE: 1034800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1034800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1034800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1034800 0 0 0 0 0 0 0 0 0 TIMING: 1034800 CPU: 4092.41, 0.0039554/step Wall: 4092.41, 0.0039554/step, 1.60985 hours remaining, 113.312500 MB of memory in use. ENERGY: 1034800 675.6099 1856.6481 1997.0667 100.3907 2.4199 -1073.0499 0.0000 0.0000 2673.8464 6232.9317 295.3338 3559.0854 6265.5652 298.1929 PRESSURE: 1035000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1035000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1035000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1035000 0 0 0 0 0 0 0 0 0 TIMING: 1035000 CPU: 4093.2, 0.0039561/step Wall: 4093.2, 0.0039561/step, 1.60991 hours remaining, 113.312500 MB of memory in use. ENERGY: 1035000 651.3008 1884.1673 1983.9560 111.3759 2.9983 -1056.9816 0.0000 0.0000 2660.3709 6237.1875 293.8454 3576.8166 6269.3672 299.1295 PRESSURE: 1035200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1035200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1035200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1035200 0 0 0 0 0 0 0 0 0 TIMING: 1035200 CPU: 4093.99, 0.00395523/step Wall: 4093.99, 0.00395523/step, 1.60934 hours remaining, 113.312500 MB of memory in use. ENERGY: 1035200 653.9805 1837.0386 1968.2585 99.5729 1.3963 -1060.9662 0.0000 0.0000 2756.2617 6255.5424 304.4368 3499.2807 6286.4706 301.4615 PRESSURE: 1035400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1035400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1035400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1035400 0 0 0 0 0 0 0 0 0 TIMING: 1035400 CPU: 4094.78, 0.0039559/step Wall: 4094.78, 0.0039559/step, 1.60939 hours remaining, 113.312500 MB of memory in use. ENERGY: 1035400 639.5062 1885.8973 1983.1266 97.7687 1.2711 -1058.2862 0.0000 0.0000 2720.5661 6269.8497 300.4941 3549.2836 6300.0314 301.9445 PRESSURE: 1035600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1035600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1035600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1035600 0 0 0 0 0 0 0 0 0 TIMING: 1035600 CPU: 4095.57, 0.00394974/step Wall: 4095.57, 0.00394974/step, 1.60667 hours remaining, 113.312500 MB of memory in use. ENERGY: 1035600 658.0956 1837.0939 1987.0422 110.4937 2.3548 -1061.9760 0.0000 0.0000 2744.9348 6278.0389 303.1857 3533.1041 6313.9814 301.1417 PRESSURE: 1035800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1035800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1035800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1035800 0 0 0 0 0 0 0 0 0 TIMING: 1035800 CPU: 4096.36, 0.00395402/step Wall: 4096.36, 0.00395401/step, 1.60819 hours remaining, 113.312500 MB of memory in use. ENERGY: 1035800 692.8991 1863.8231 2028.6015 110.1990 1.6925 -1115.6607 0.0000 0.0000 2687.5305 6269.0851 296.8452 3581.5546 6300.6973 300.4477 PRESSURE: 1036000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1036000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1036000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1036000 0 0 0 0 0 0 0 0 0 TIMING: 1036000 CPU: 4097.15, 0.00395566/step Wall: 4097.15, 0.00395567/step, 1.60864 hours remaining, 113.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1036000 652.6996 1854.7401 2005.2876 117.0149 1.3304 -1076.7669 0.0000 0.0000 2715.6489 6269.9546 299.9510 3554.3057 6302.8568 302.8561 PRESSURE: 1036200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1036200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1036200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1036200 0 0 0 0 0 0 0 0 0 TIMING: 1036200 CPU: 4097.94, 0.00395391/step Wall: 4097.94, 0.00395391/step, 1.6077 hours remaining, 113.312500 MB of memory in use. ENERGY: 1036200 684.9002 1833.7877 1988.1778 98.5545 1.8518 -1077.1379 0.0000 0.0000 2714.6383 6244.7723 299.8394 3530.1341 6275.7631 301.6139 LDB: ============= START OF LOAD BALANCING ============== 4100.9 LDB: ============== END OF LOAD BALANCING =============== 4100.9 LDB: =============== DONE WITH MIGRATION ================ 4100.9 LDB: ============= START OF LOAD BALANCING ============== 4101.3 LDB: ============== END OF LOAD BALANCING =============== 4101.3 LDB: =============== DONE WITH MIGRATION ================ 4101.3 PRESSURE: 1036400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1036400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1036400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1036400 0 0 0 0 0 0 0 0 0 TIMING: 1036400 CPU: 4098.74, 0.00396518/step Wall: 4098.74, 0.00396518/step, 1.61207 hours remaining, 113.312500 MB of memory in use. ENERGY: 1036400 698.9827 1837.3810 2015.2514 104.1469 3.1056 -1068.3468 0.0000 0.0000 2708.2029 6298.7238 299.1286 3590.5208 6331.7915 301.8057 PRESSURE: 1036600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1036600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1036600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1036600 0 0 0 0 0 0 0 0 0 TIMING: 1036600 CPU: 4099.53, 0.00394981/step Wall: 4099.53, 0.00394981/step, 1.6056 hours remaining, 113.312500 MB of memory in use. ENERGY: 1036600 662.6422 1828.4541 1997.1909 111.6975 3.6682 -1072.4985 0.0000 0.0000 2792.5862 6323.7406 308.4489 3531.1544 6357.0942 304.6555 PRESSURE: 1036800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1036800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1036800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1036800 0 0 0 0 0 0 0 0 0 TIMING: 1036800 CPU: 4100.32, 0.00395682/step Wall: 4100.32, 0.00395682/step, 1.60823 hours remaining, 113.312500 MB of memory in use. ENERGY: 1036800 681.2100 1876.2107 1982.1294 106.7927 3.1608 -1067.8020 0.0000 0.0000 2701.1642 6282.8657 298.3511 3581.7016 6317.1141 302.9301 PRESSURE: 1037000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1037000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1037000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1037000 0 0 0 0 0 0 0 0 0 TIMING: 1037000 CPU: 4101.11, 0.00395699/step Wall: 4101.11, 0.00395699/step, 1.60808 hours remaining, 113.312500 MB of memory in use. ENERGY: 1037000 682.4549 1867.5031 1985.3965 107.2108 2.9432 -1132.0793 0.0000 0.0000 2729.7395 6243.1688 301.5073 3513.4294 6275.6690 301.1539 PRESSURE: 1037200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1037200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1037200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1037200 0 0 0 0 0 0 0 0 0 TIMING: 1037200 CPU: 4101.9, 0.0039553/step Wall: 4101.9, 0.0039553/step, 1.60717 hours remaining, 113.312500 MB of memory in use. ENERGY: 1037200 643.4860 1848.5612 1984.4731 110.5582 3.0830 -1099.1221 0.0000 0.0000 2718.2982 6209.3376 300.2436 3491.0394 6243.9086 298.4513 PRESSURE: 1037400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1037400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1037400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1037400 0 0 0 0 0 0 0 0 0 TIMING: 1037400 CPU: 4102.69, 0.00395014/step Wall: 4102.69, 0.00395014/step, 1.60485 hours remaining, 113.312500 MB of memory in use. ENERGY: 1037400 672.7528 1803.2211 2004.5788 113.2445 3.5915 -1099.9684 0.0000 0.0000 2678.3571 6175.7774 295.8320 3497.4203 6208.0714 297.2718 PRESSURE: 1037600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1037600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1037600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1037600 0 0 0 0 0 0 0 0 0 TIMING: 1037600 CPU: 4103.48, 0.00395411/step Wall: 4103.48, 0.00395411/step, 1.60625 hours remaining, 113.312500 MB of memory in use. ENERGY: 1037600 611.8514 1860.5668 1988.2617 115.5731 2.3397 -1099.4007 0.0000 0.0000 2734.9051 6214.0971 302.0779 3479.1920 6249.8066 298.7702 PRESSURE: 1037800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1037800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1037800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1037800 0 0 0 0 0 0 0 0 0 TIMING: 1037800 CPU: 4104.27, 0.00395379/step Wall: 4104.27, 0.00395379/step, 1.6059 hours remaining, 113.312500 MB of memory in use. ENERGY: 1037800 652.7798 1815.7890 1973.4721 104.1450 1.8271 -1047.7527 0.0000 0.0000 2674.0355 6174.2958 295.3547 3500.2603 6206.4168 297.3870 PRESSURE: 1038000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1038000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1038000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1038000 0 0 0 0 0 0 0 0 0 TIMING: 1038000 CPU: 4105.06, 0.00395391/step Wall: 4105.06, 0.00395391/step, 1.60573 hours remaining, 113.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1038000 652.4486 1820.9387 1966.9713 121.6432 1.5488 -1075.5906 0.0000 0.0000 2705.6861 6193.6462 298.8506 3487.9600 6226.7270 297.5717 PRESSURE: 1038200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1038200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1038200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1038200 0 0 0 0 0 0 0 0 0 TIMING: 1038200 CPU: 4105.85, 0.00395337/step Wall: 4105.85, 0.00395338/step, 1.60529 hours remaining, 113.312500 MB of memory in use. ENERGY: 1038200 643.7411 1819.4790 1961.9605 101.7431 1.4926 -1098.7807 0.0000 0.0000 2738.0529 6167.6886 302.4256 3429.6357 6204.0385 298.0039 PRESSURE: 1038400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1038400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1038400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1038400 0 0 0 0 0 0 0 0 0 TIMING: 1038400 CPU: 4106.64, 0.00394848/step Wall: 4106.64, 0.00394848/step, 1.60308 hours remaining, 113.312500 MB of memory in use. ENERGY: 1038400 621.5982 1854.0826 1950.5833 108.7903 0.9765 -1079.8355 0.0000 0.0000 2719.5168 6175.7121 300.3782 3456.1954 6209.1630 297.6271 PRESSURE: 1038600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1038600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1038600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1038600 0 0 0 0 0 0 0 0 0 TIMING: 1038600 CPU: 4107.43, 0.00395396/step Wall: 4107.43, 0.00395396/step, 1.60509 hours remaining, 113.312500 MB of memory in use. ENERGY: 1038600 642.6969 1844.7242 1988.8646 109.4196 1.9728 -1054.3195 0.0000 0.0000 2642.3832 6175.7418 291.8586 3533.3586 6204.9417 296.8579 PRESSURE: 1038800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1038800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1038800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1038800 0 0 0 0 0 0 0 0 0 TIMING: 1038800 CPU: 4108.22, 0.00395306/step Wall: 4108.22, 0.00395306/step, 1.6045 hours remaining, 113.316406 MB of memory in use. ENERGY: 1038800 657.3121 1769.6199 1992.1574 102.6172 1.3617 -1081.6771 0.0000 0.0000 2746.7628 6188.1539 303.3876 3441.3911 6220.3721 298.0228 PRESSURE: 1039000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1039000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1039000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1039000 0 0 0 0 0 0 0 0 0 TIMING: 1039000 CPU: 4109.02, 0.00395339/step Wall: 4109.02, 0.00395339/step, 1.60442 hours remaining, 113.316406 MB of memory in use. ENERGY: 1039000 670.6385 1824.4153 1960.3877 122.6143 2.1454 -1074.4171 0.0000 0.0000 2718.3302 6224.1143 300.2471 3505.7841 6255.7626 298.9713 PRESSURE: 1039200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1039200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1039200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1039200 0 0 0 0 0 0 0 0 0 TIMING: 1039200 CPU: 4109.81, 0.00395263/step Wall: 4109.81, 0.00395263/step, 1.60389 hours remaining, 113.316406 MB of memory in use. ENERGY: 1039200 637.2587 1829.2757 2005.0793 118.3479 2.7450 -1055.8005 0.0000 0.0000 2673.4979 6210.4040 295.2953 3536.9061 6242.6882 300.2903 PRESSURE: 1039400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1039400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1039400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1039400 0 0 0 0 0 0 0 0 0 TIMING: 1039400 CPU: 4110.6, 0.00394859/step Wall: 4110.6, 0.00394859/step, 1.60203 hours remaining, 113.316406 MB of memory in use. ENERGY: 1039400 663.8962 1796.1286 1977.8778 90.7645 3.0781 -1073.8693 0.0000 0.0000 2722.5667 6180.4426 300.7151 3457.8759 6215.9220 298.6777 PRESSURE: 1039600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1039600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1039600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1039600 0 0 0 0 0 0 0 0 0 TIMING: 1039600 CPU: 4111.39, 0.00395344/step Wall: 4111.39, 0.00395344/step, 1.60378 hours remaining, 113.316406 MB of memory in use. ENERGY: 1039600 652.8921 1847.8049 2001.2653 111.9525 4.2548 -1054.5251 0.0000 0.0000 2673.4720 6237.1165 295.2924 3563.6444 6267.1982 296.2178 PRESSURE: 1039800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1039800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1039800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1039800 0 0 0 0 0 0 0 0 0 TIMING: 1039800 CPU: 4112.18, 0.00395373/step Wall: 4112.18, 0.00395373/step, 1.60368 hours remaining, 113.316406 MB of memory in use. ENERGY: 1039800 621.7222 1833.3393 1990.6151 115.4297 3.2438 -1076.2354 0.0000 0.0000 2752.1958 6240.3104 303.9877 3488.1146 6271.7047 299.8003 PRESSURE: 1040000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1040000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1040000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1040000 0 0 0 0 0 0 0 0 0 TIMING: 1040000 CPU: 4112.97, 0.00395306/step Wall: 4112.97, 0.00395306/step, 1.60318 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1040000 655.8035 1853.2669 2015.4211 114.2726 2.2194 -1093.9108 0.0000 0.0000 2749.5280 6296.6007 303.6930 3547.0727 6329.1563 300.2303 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1040000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1040000 WRITING COORDINATES TO RESTART FILE AT STEP 1040000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1040000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1040200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1040200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1040200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1040200 0 0 0 0 0 0 0 0 0 TIMING: 1040200 CPU: 4113.8, 0.00417271/step Wall: 4113.8, 0.00417271/step, 1.69204 hours remaining, 113.554688 MB of memory in use. ENERGY: 1040200 676.6191 1835.2370 1973.5816 124.3402 2.8219 -1067.7556 0.0000 0.0000 2727.5857 6272.4299 301.2694 3544.8442 6306.6015 302.4619 LDB: ============= START OF LOAD BALANCING ============== 4116.76 LDB: ============== END OF LOAD BALANCING =============== 4116.76 LDB: =============== DONE WITH MIGRATION ================ 4116.76 LDB: ============= START OF LOAD BALANCING ============== 4117.16 LDB: ============== END OF LOAD BALANCING =============== 4117.16 LDB: =============== DONE WITH MIGRATION ================ 4117.16 PRESSURE: 1040400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1040400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1040400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1040400 0 0 0 0 0 0 0 0 0 TIMING: 1040400 CPU: 4114.59, 0.00395339/step Wall: 4114.59, 0.00395339/step, 1.60288 hours remaining, 113.554688 MB of memory in use. ENERGY: 1040400 691.7357 1833.6754 2025.1071 105.7573 2.3739 -1108.1477 0.0000 0.0000 2711.9240 6262.4257 299.5396 3550.5017 6295.6678 300.8714 PRESSURE: 1040600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1040600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1040600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1040600 0 0 0 0 0 0 0 0 0 TIMING: 1040600 CPU: 4115.38, 0.00395326/step Wall: 4115.38, 0.00395326/step, 1.60261 hours remaining, 113.554688 MB of memory in use. ENERGY: 1040600 711.2240 1806.3197 1998.8712 101.3180 2.4212 -1072.3443 0.0000 0.0000 2725.8798 6273.6898 301.0810 3547.8100 6305.8535 302.1573 PRESSURE: 1040800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1040800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1040800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1040800 0 0 0 0 0 0 0 0 0 TIMING: 1040800 CPU: 4116.17, 0.00395226/step Wall: 4116.17, 0.00395226/step, 1.60198 hours remaining, 113.554688 MB of memory in use. ENERGY: 1040800 667.3469 1840.0501 2024.9743 108.2489 4.2332 -1051.9597 0.0000 0.0000 2712.8916 6305.7853 299.6464 3592.8937 6339.7723 302.3976 PRESSURE: 1041000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1041000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1041000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1041000 0 0 0 0 0 0 0 0 0 TIMING: 1041000 CPU: 4116.96, 0.00395204/step Wall: 4116.96, 0.00395204/step, 1.60167 hours remaining, 113.554688 MB of memory in use. ENERGY: 1041000 640.8924 1832.3378 1975.1294 111.3214 3.3818 -1070.3089 0.0000 0.0000 2726.3285 6219.0824 301.1306 3492.7539 6256.7984 301.3033 PRESSURE: 1041200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1041200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1041200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1041200 0 0 0 0 0 0 0 0 0 TIMING: 1041200 CPU: 4117.75, 0.00395144/step Wall: 4117.75, 0.00395144/step, 1.60121 hours remaining, 113.554688 MB of memory in use. ENERGY: 1041200 663.2196 1821.5612 1977.7494 116.3603 1.8806 -1106.4261 0.0000 0.0000 2745.3525 6219.6975 303.2318 3474.3451 6251.2947 298.2542 PRESSURE: 1041400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1041400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1041400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1041400 0 0 0 0 0 0 0 0 0 TIMING: 1041400 CPU: 4118.54, 0.00394821/step Wall: 4118.54, 0.00394821/step, 1.59968 hours remaining, 113.554688 MB of memory in use. ENERGY: 1041400 690.0556 1864.6870 2008.4700 118.2943 4.1778 -1098.0163 0.0000 0.0000 2669.7410 6257.4093 294.8803 3587.6683 6288.4724 302.0490 PRESSURE: 1041600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1041600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1041600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1041600 0 0 0 0 0 0 0 0 0 TIMING: 1041600 CPU: 4119.33, 0.00395376/step Wall: 4119.33, 0.00395376/step, 1.60171 hours remaining, 113.554688 MB of memory in use. ENERGY: 1041600 667.4253 1860.4680 1994.9129 99.4286 2.8525 -1109.5354 0.0000 0.0000 2674.9457 6190.4976 295.4552 3515.5519 6223.0389 300.9348 PRESSURE: 1041800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1041800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1041800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1041800 0 0 0 0 0 0 0 0 0 TIMING: 1041800 CPU: 4120.13, 0.00395408/step Wall: 4120.13, 0.00395408/step, 1.60162 hours remaining, 113.554688 MB of memory in use. ENERGY: 1041800 646.8055 1819.9349 1988.1072 108.7990 1.4195 -1096.9397 0.0000 0.0000 2724.5865 6192.7130 300.9382 3468.1264 6227.0711 297.4911 PRESSURE: 1042000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1042000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1042000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1042000 0 0 0 0 0 0 0 0 0 TIMING: 1042000 CPU: 4120.92, 0.00395354/step Wall: 4120.92, 0.00395354/step, 1.60118 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1042000 657.1311 1845.3732 1988.0099 100.7561 1.7817 -1084.2522 0.0000 0.0000 2701.5221 6210.3218 298.3906 3508.7997 6240.5648 299.0411 PRESSURE: 1042200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1042200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1042200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1042200 0 0 0 0 0 0 0 0 0 TIMING: 1042200 CPU: 4121.71, 0.00394939/step Wall: 4121.71, 0.00394939/step, 1.59928 hours remaining, 113.554688 MB of memory in use. ENERGY: 1042200 656.5026 1857.8759 1997.0089 105.3811 1.8089 -1087.7640 0.0000 0.0000 2674.4266 6205.2400 295.3979 3530.8134 6237.1112 298.6690 PRESSURE: 1042400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1042400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1042400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1042400 0 0 0 0 0 0 0 0 0 TIMING: 1042400 CPU: 4122.5, 0.00396216/step Wall: 4122.5, 0.00396216/step, 1.60423 hours remaining, 113.554688 MB of memory in use. ENERGY: 1042400 657.1077 1828.5366 1992.2632 100.9573 1.7518 -1081.8227 0.0000 0.0000 2693.9761 6192.7699 297.5572 3498.7938 6224.6788 297.8654 PRESSURE: 1042600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1042600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1042600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1042600 0 0 0 0 0 0 0 0 0 TIMING: 1042600 CPU: 4123.29, 0.00395787/step Wall: 4123.29, 0.00395787/step, 1.60228 hours remaining, 113.554688 MB of memory in use. ENERGY: 1042600 664.4486 1831.2131 1982.8549 103.6241 1.5491 -1092.9185 0.0000 0.0000 2695.7761 6186.5473 297.7560 3490.7712 6219.0021 297.5800 PRESSURE: 1042800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1042800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1042800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1042800 0 0 0 0 0 0 0 0 0 TIMING: 1042800 CPU: 4124.08, 0.00395821/step Wall: 4124.08, 0.00395821/step, 1.6022 hours remaining, 113.554688 MB of memory in use. ENERGY: 1042800 673.2676 1807.8853 1992.2042 112.1166 2.9499 -1114.9354 0.0000 0.0000 2724.8548 6198.3428 300.9678 3473.4880 6232.0078 296.7661 PRESSURE: 1043000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1043000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1043000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1043000 0 0 0 0 0 0 0 0 0 TIMING: 1043000 CPU: 4124.87, 0.0039544/step Wall: 4124.87, 0.0039544/step, 1.60043 hours remaining, 113.554688 MB of memory in use. ENERGY: 1043000 659.4828 1835.4272 1994.5717 100.6022 2.2881 -1098.6517 0.0000 0.0000 2721.2142 6214.9347 300.5657 3493.7204 6249.7838 298.3612 PRESSURE: 1043200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1043200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1043200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1043200 0 0 0 0 0 0 0 0 0 TIMING: 1043200 CPU: 4125.66, 0.0039492/step Wall: 4125.66, 0.0039492/step, 1.59811 hours remaining, 113.554688 MB of memory in use. ENERGY: 1043200 671.1071 1805.3156 1957.4565 96.7558 1.8658 -1092.4478 0.0000 0.0000 2800.7618 6240.8146 309.3519 3440.0528 6275.6985 300.6131 PRESSURE: 1043400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1043400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1043400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1043400 0 0 0 0 0 0 0 0 0 TIMING: 1043400 CPU: 4126.45, 0.00395721/step Wall: 4126.45, 0.00395721/step, 1.60113 hours remaining, 113.554688 MB of memory in use. ENERGY: 1043400 642.0588 1840.9019 2006.4948 96.9885 2.6823 -1077.8018 0.0000 0.0000 2720.4625 6231.7870 300.4827 3511.3245 6264.7209 299.5815 PRESSURE: 1043600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1043600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1043600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1043600 0 0 0 0 0 0 0 0 0 TIMING: 1043600 CPU: 4127.25, 0.00395797/step Wall: 4127.25, 0.00395797/step, 1.60122 hours remaining, 113.554688 MB of memory in use. ENERGY: 1043600 672.4475 1824.6737 1979.1084 103.3207 3.1541 -1075.2974 0.0000 0.0000 2716.5780 6223.9851 300.0536 3507.4072 6257.1354 298.5215 PRESSURE: 1043800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1043800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1043800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1043800 0 0 0 0 0 0 0 0 0 TIMING: 1043800 CPU: 4128.04, 0.00395488/step Wall: 4128.04, 0.00395488/step, 1.59975 hours remaining, 113.554688 MB of memory in use. ENERGY: 1043800 657.2365 1826.8395 1965.6098 101.9496 2.3415 -1058.2482 0.0000 0.0000 2701.1621 6196.8907 298.3509 3495.7286 6230.2758 298.7000 PRESSURE: 1044000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1044000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1044000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1044000 0 0 0 0 0 0 0 0 0 TIMING: 1044000 CPU: 4128.83, 0.00395469/step Wall: 4128.83, 0.00395469/step, 1.59945 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1044000 657.5545 1814.6879 1992.4639 101.7884 2.6702 -1081.2383 0.0000 0.0000 2707.4917 6195.4184 299.0500 3487.9266 6229.4206 296.7530 PRESSURE: 1044200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1044200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1044200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1044200 0 0 0 0 0 0 0 0 0 TIMING: 1044200 CPU: 4129.62, 0.00394989/step Wall: 4129.62, 0.00394989/step, 1.59729 hours remaining, 113.554688 MB of memory in use. ENERGY: 1044200 665.9135 1835.0812 1988.5861 108.4705 1.8199 -1086.4746 0.0000 0.0000 2670.2281 6183.6247 294.9341 3513.3965 6212.7356 297.2457 LDB: ============= START OF LOAD BALANCING ============== 4132.58 LDB: ============== END OF LOAD BALANCING =============== 4132.58 LDB: =============== DONE WITH MIGRATION ================ 4132.58 LDB: ============= START OF LOAD BALANCING ============== 4132.97 LDB: ============== END OF LOAD BALANCING =============== 4132.97 LDB: =============== DONE WITH MIGRATION ================ 4132.97 PRESSURE: 1044400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1044400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1044400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1044400 0 0 0 0 0 0 0 0 0 TIMING: 1044400 CPU: 4130.41, 0.00395963/step Wall: 4130.41, 0.00395963/step, 1.60101 hours remaining, 113.554688 MB of memory in use. ENERGY: 1044400 647.9810 1792.5206 2000.4750 99.8791 1.8965 -1055.8719 0.0000 0.0000 2766.9119 6253.7923 305.6131 3486.8804 6288.7358 298.2065 PRESSURE: 1044600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1044600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1044600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1044600 0 0 0 0 0 0 0 0 0 TIMING: 1044600 CPU: 4131.2, 0.00395681/step Wall: 4131.2, 0.00395681/step, 1.59965 hours remaining, 113.554688 MB of memory in use. ENERGY: 1044600 679.2820 1864.2142 1981.7122 114.4791 0.5382 -1115.2806 0.0000 0.0000 2701.9143 6226.8594 298.4340 3524.9451 6260.7568 299.7977 PRESSURE: 1044800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1044800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1044800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1044800 0 0 0 0 0 0 0 0 0 TIMING: 1044800 CPU: 4131.99, 0.00395513/step Wall: 4131.99, 0.00395513/step, 1.59875 hours remaining, 113.554688 MB of memory in use. ENERGY: 1044800 655.8320 1841.5239 1951.3567 97.5552 0.8717 -1036.4697 0.0000 0.0000 2756.2549 6266.9248 304.4360 3510.6699 6301.5109 299.7679 PRESSURE: 1045000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1045000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1045000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1045000 0 0 0 0 0 0 0 0 0 TIMING: 1045000 CPU: 4132.78, 0.00395249/step Wall: 4132.78, 0.00395249/step, 1.59746 hours remaining, 113.554688 MB of memory in use. ENERGY: 1045000 676.2814 1893.4334 1957.2903 95.3030 1.3073 -1110.4262 0.0000 0.0000 2751.3404 6264.5297 303.8932 3513.1893 6297.5453 302.0863 PRESSURE: 1045200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1045200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1045200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1045200 0 0 0 0 0 0 0 0 0 TIMING: 1045200 CPU: 4133.57, 0.00395087/step Wall: 4133.57, 0.00395087/step, 1.59659 hours remaining, 113.554688 MB of memory in use. ENERGY: 1045200 624.2975 1869.0212 1991.6483 110.5507 1.5997 -1108.6188 0.0000 0.0000 2767.5455 6256.0442 305.6831 3488.4987 6292.1430 302.8086 PRESSURE: 1045400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1045400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1045400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1045400 0 0 0 0 0 0 0 0 0 TIMING: 1045400 CPU: 4134.36, 0.003955/step Wall: 4134.36, 0.003955/step, 1.59804 hours remaining, 113.554688 MB of memory in use. ENERGY: 1045400 669.4528 1840.3985 1989.2269 103.9101 0.8118 -1074.3376 0.0000 0.0000 2700.0011 6229.4636 298.2226 3529.4625 6259.5456 301.6970 PRESSURE: 1045600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1045600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1045600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1045600 0 0 0 0 0 0 0 0 0 TIMING: 1045600 CPU: 4135.15, 0.00395566/step Wall: 4135.15, 0.00395566/step, 1.59808 hours remaining, 113.554688 MB of memory in use. ENERGY: 1045600 632.7390 1841.6335 1959.0633 117.7844 0.8423 -1064.0948 0.0000 0.0000 2688.4575 6176.4253 296.9476 3487.9678 6210.4289 299.9840 PRESSURE: 1045800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1045800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1045800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1045800 0 0 0 0 0 0 0 0 0 TIMING: 1045800 CPU: 4135.95, 0.00395484/step Wall: 4135.95, 0.00395484/step, 1.59754 hours remaining, 113.554688 MB of memory in use. ENERGY: 1045800 664.2483 1831.3206 1982.5328 111.2456 0.1494 -1101.5633 0.0000 0.0000 2718.7529 6206.6864 300.2938 3487.9335 6238.6281 297.9599 PRESSURE: 1046000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1046000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1046000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1046000 0 0 0 0 0 0 0 0 0 TIMING: 1046000 CPU: 4136.74, 0.00394795/step Wall: 4136.74, 0.00394795/step, 1.59453 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1046000 660.5932 1828.9404 1958.4401 101.0853 1.4164 -1080.1040 0.0000 0.0000 2749.1251 6219.4965 303.6485 3470.3715 6253.6610 299.3522 PRESSURE: 1046200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1046200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1046200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1046200 0 0 0 0 0 0 0 0 0 TIMING: 1046200 CPU: 4137.53, 0.00395535/step Wall: 4137.53, 0.00395535/step, 1.5973 hours remaining, 113.554688 MB of memory in use. ENERGY: 1046200 642.5725 1885.0954 1986.7064 96.5608 1.3186 -1059.4209 0.0000 0.0000 2701.4281 6254.2609 298.3803 3552.8328 6286.3295 300.4939 PRESSURE: 1046400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1046400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1046400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1046400 0 0 0 0 0 0 0 0 0 TIMING: 1046400 CPU: 4138.32, 0.00395449/step Wall: 4138.32, 0.00395449/step, 1.59674 hours remaining, 113.554688 MB of memory in use. ENERGY: 1046400 680.9704 1815.6349 1985.2677 115.8139 1.5883 -1092.1994 0.0000 0.0000 2726.2481 6233.3240 301.1217 3507.0759 6266.8313 301.6802 PRESSURE: 1046600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1046600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1046600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1046600 0 0 0 0 0 0 0 0 0 TIMING: 1046600 CPU: 4139.11, 0.00395852/step Wall: 4139.11, 0.00395852/step, 1.59814 hours remaining, 113.554688 MB of memory in use. ENERGY: 1046600 670.4471 1857.2704 1960.5082 117.7057 1.9677 -1091.0479 0.0000 0.0000 2686.8117 6203.6630 296.7658 3516.8512 6233.4190 299.8144 PRESSURE: 1046800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1046800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1046800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1046800 0 0 0 0 0 0 0 0 0 TIMING: 1046800 CPU: 4139.9, 0.00395218/step Wall: 4139.9, 0.00395218/step, 1.59536 hours remaining, 113.554688 MB of memory in use. ENERGY: 1046800 651.8834 1839.3630 1972.2713 110.9955 2.6538 -1091.7597 0.0000 0.0000 2676.5947 6162.0020 295.6373 3485.4074 6192.9773 299.2690 PRESSURE: 1047000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1047000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1047000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1047000 0 0 0 0 0 0 0 0 0 TIMING: 1047000 CPU: 4140.69, 0.00394801/step Wall: 4140.69, 0.00394801/step, 1.59346 hours remaining, 113.554688 MB of memory in use. ENERGY: 1047000 670.8208 1783.7132 1969.5782 103.9992 0.6838 -1090.8988 0.0000 0.0000 2695.2775 6133.1740 297.7009 3437.8964 6167.2365 295.4743 PRESSURE: 1047200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1047200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1047200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1047200 0 0 0 0 0 0 0 0 0 TIMING: 1047200 CPU: 4141.48, 0.00395432/step Wall: 4141.48, 0.00395432/step, 1.59579 hours remaining, 113.554688 MB of memory in use. ENERGY: 1047200 617.1371 1814.6460 1971.7367 100.2346 1.9396 -1069.5098 0.0000 0.0000 2688.0422 6124.2263 296.9017 3436.1841 6155.9875 293.4964 PRESSURE: 1047400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1047400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1047400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1047400 0 0 0 0 0 0 0 0 0 TIMING: 1047400 CPU: 4142.27, 0.00395332/step Wall: 4142.27, 0.00395332/step, 1.59516 hours remaining, 113.554688 MB of memory in use. ENERGY: 1047400 649.0404 1816.8062 2009.6566 113.6649 1.3248 -1105.1782 0.0000 0.0000 2613.2556 6098.5703 288.6414 3485.3147 6131.2991 294.0729 PRESSURE: 1047600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1047600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1047600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1047600 0 0 0 0 0 0 0 0 0 TIMING: 1047600 CPU: 4143.06, 0.00395541/step Wall: 4143.06, 0.00395541/step, 1.59579 hours remaining, 113.554688 MB of memory in use. ENERGY: 1047600 625.3715 1774.0659 1997.7286 99.9002 3.4159 -1077.5213 0.0000 0.0000 2677.7273 6100.6880 295.7624 3422.9607 6136.7982 291.3983 PRESSURE: 1047800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1047800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1047800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1047800 0 0 0 0 0 0 0 0 0 TIMING: 1047800 CPU: 4143.85, 0.00395352/step Wall: 4143.85, 0.00395352/step, 1.59481 hours remaining, 113.554688 MB of memory in use. ENERGY: 1047800 639.2489 1832.7135 1981.0430 102.9837 3.8009 -1113.1069 0.0000 0.0000 2637.2882 6083.9715 291.2958 3446.6833 6113.9816 292.4150 PRESSURE: 1048000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1048000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1048000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1048000 0 0 0 0 0 0 0 0 0 TIMING: 1048000 CPU: 4144.64, 0.00394927/step Wall: 4144.64, 0.00394927/step, 1.59287 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1048000 669.2957 1751.5663 1992.5102 102.3431 1.6244 -1083.8433 0.0000 0.0000 2663.3562 6096.8525 294.1751 3433.4963 6129.5002 292.8983 PRESSURE: 1048200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1048200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1048200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1048200 0 0 0 0 0 0 0 0 0 TIMING: 1048200 CPU: 4145.43, 0.00395388/step Wall: 4145.43, 0.00395387/step, 1.59451 hours remaining, 113.554688 MB of memory in use. ENERGY: 1048200 638.7434 1809.5051 1994.9444 94.8807 2.6711 -1104.7076 0.0000 0.0000 2644.3345 6080.3716 292.0741 3436.0371 6114.8334 292.2685 LDB: ============= START OF LOAD BALANCING ============== 4148.39 LDB: ============== END OF LOAD BALANCING =============== 4148.39 LDB: =============== DONE WITH MIGRATION ================ 4148.39 LDB: ============= START OF LOAD BALANCING ============== 4148.79 LDB: ============== END OF LOAD BALANCING =============== 4148.79 LDB: =============== DONE WITH MIGRATION ================ 4148.79 PRESSURE: 1048400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1048400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1048400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1048400 0 0 0 0 0 0 0 0 0 TIMING: 1048400 CPU: 4146.22, 0.00395894/step Wall: 4146.22, 0.00395895/step, 1.59633 hours remaining, 113.554688 MB of memory in use. ENERGY: 1048400 676.7506 1765.7339 1958.2059 104.3538 2.8578 -1077.7860 0.0000 0.0000 2670.5205 6100.6365 294.9664 3430.1160 6135.3266 291.4949 PRESSURE: 1048600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1048600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1048600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1048600 0 0 0 0 0 0 0 0 0 TIMING: 1048600 CPU: 4147.02, 0.00395525/step Wall: 4147.02, 0.00395525/step, 1.59462 hours remaining, 113.554688 MB of memory in use. ENERGY: 1048600 655.6303 1802.3267 1951.4110 108.6814 2.3782 -1072.0391 0.0000 0.0000 2665.6161 6114.0047 294.4247 3448.3886 6149.4057 292.9248 PRESSURE: 1048800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1048800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1048800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1048800 0 0 0 0 0 0 0 0 0 TIMING: 1048800 CPU: 4147.81, 0.00394871/step Wall: 4147.81, 0.00394871/step, 1.59177 hours remaining, 113.554688 MB of memory in use. ENERGY: 1048800 635.7237 1832.8578 1984.8343 105.8437 1.4917 -1090.6006 0.0000 0.0000 2655.2751 6125.4256 293.2825 3470.1505 6155.8648 294.0963 PRESSURE: 1049000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1049000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1049000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1049000 0 0 0 0 0 0 0 0 0 TIMING: 1049000 CPU: 4148.6, 0.00395426/step Wall: 4148.6, 0.00395426/step, 1.59378 hours remaining, 113.554688 MB of memory in use. ENERGY: 1049000 653.9253 1824.1287 1970.7946 109.3179 2.8290 -1039.0068 0.0000 0.0000 2634.4607 6156.4494 290.9835 3521.9888 6188.0160 294.4373 PRESSURE: 1049200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1049200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1049200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1049200 0 0 0 0 0 0 0 0 0 TIMING: 1049200 CPU: 4149.39, 0.00395503/step Wall: 4149.39, 0.00395503/step, 1.59388 hours remaining, 113.554688 MB of memory in use. ENERGY: 1049200 619.3782 1806.9088 1976.3248 105.9188 2.1523 -1054.8447 0.0000 0.0000 2742.3664 6198.2046 302.9020 3455.8382 6231.4744 295.4454 PRESSURE: 1049400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1049400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1049400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1049400 0 0 0 0 0 0 0 0 0 TIMING: 1049400 CPU: 4150.18, 0.00395504/step Wall: 4150.18, 0.00395504/step, 1.59366 hours remaining, 113.554688 MB of memory in use. ENERGY: 1049400 675.3398 1750.8101 1979.7823 115.7881 2.2633 -1069.5208 0.0000 0.0000 2689.8485 6144.3112 297.1013 3454.4627 6178.6323 297.5255 PRESSURE: 1049600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1049600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1049600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1049600 0 0 0 0 0 0 0 0 0 TIMING: 1049600 CPU: 4150.97, 0.0039557/step Wall: 4150.97, 0.0039557/step, 1.59371 hours remaining, 113.554688 MB of memory in use. ENERGY: 1049600 655.5101 1826.9191 2006.8051 94.2156 1.6342 -1106.7427 0.0000 0.0000 2689.2853 6167.6267 297.0391 3478.3414 6200.5850 296.0849 PRESSURE: 1049800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1049800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1049800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1049800 0 0 0 0 0 0 0 0 0 TIMING: 1049800 CPU: 4151.76, 0.00395097/step Wall: 4151.76, 0.00395097/step, 1.59158 hours remaining, 113.554688 MB of memory in use. ENERGY: 1049800 627.7179 1845.7648 1981.9584 108.9387 1.9569 -1084.1474 0.0000 0.0000 2725.0159 6207.2053 300.9856 3482.1893 6240.5136 298.1627 PRESSURE: 1050000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1050000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1050000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1050000 0 0 0 0 0 0 0 0 0 TIMING: 1050000 CPU: 4152.55, 0.00395787/step Wall: 4152.55, 0.00395787/step, 1.59414 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1050000 662.1787 1833.2577 1986.1991 104.7585 1.7988 -1087.0631 0.0000 0.0000 2698.8406 6199.9704 298.0945 3501.1298 6232.4272 298.5430 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1050000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1050000 WRITING COORDINATES TO RESTART FILE AT STEP 1050000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1050000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1050200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1050200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1050200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1050200 0 0 0 0 0 0 0 0 0 TIMING: 1050200 CPU: 4153.38, 0.0041427/step Wall: 4153.38, 0.0041427/step, 1.66836 hours remaining, 113.554688 MB of memory in use. ENERGY: 1050200 670.0898 1775.5208 1987.7978 102.8591 2.6592 -1074.8675 0.0000 0.0000 2722.8139 6186.8730 300.7424 3464.0591 6219.7553 297.5600 PRESSURE: 1050400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1050400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1050400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1050400 0 0 0 0 0 0 0 0 0 TIMING: 1050400 CPU: 4154.17, 0.00395606/step Wall: 4154.17, 0.00395606/step, 1.59297 hours remaining, 113.554688 MB of memory in use. ENERGY: 1050400 623.2436 1816.9573 1988.1770 113.7309 2.2951 -1080.7117 0.0000 0.0000 2666.7937 6130.4859 294.5548 3463.6922 6163.7962 297.0570 PRESSURE: 1050600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1050600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1050600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1050600 0 0 0 0 0 0 0 0 0 TIMING: 1050600 CPU: 4154.96, 0.00395707/step Wall: 4154.96, 0.00395707/step, 1.59316 hours remaining, 113.554688 MB of memory in use. ENERGY: 1050600 605.5023 1831.2302 1985.2966 110.0911 3.2878 -1072.1220 0.0000 0.0000 2658.3228 6121.6087 293.6192 3463.2860 6151.0339 295.5431 PRESSURE: 1050800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1050800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1050800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1050800 0 0 0 0 0 0 0 0 0 TIMING: 1050800 CPU: 4155.75, 0.00395048/step Wall: 4155.75, 0.00395048/step, 1.59029 hours remaining, 113.554688 MB of memory in use. ENERGY: 1050800 635.2888 1801.7011 1975.6796 107.9510 1.6716 -1038.8483 0.0000 0.0000 2649.6938 6133.1376 292.6661 3483.4438 6165.8292 294.8662 PRESSURE: 1051000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1051000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1051000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1051000 0 0 0 0 0 0 0 0 0 TIMING: 1051000 CPU: 4156.54, 0.00395519/step Wall: 4156.54, 0.00395518/step, 1.59196 hours remaining, 113.554688 MB of memory in use. ENERGY: 1051000 605.4082 1907.3469 1966.3867 107.4622 1.6934 -1073.6060 0.0000 0.0000 2614.0763 6128.7678 288.7320 3514.6915 6158.8122 294.9479 PRESSURE: 1051200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1051200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1051200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1051200 0 0 0 0 0 0 0 0 0 TIMING: 1051200 CPU: 4157.33, 0.00395661/step Wall: 4157.33, 0.00395661/step, 1.59232 hours remaining, 113.554688 MB of memory in use. ENERGY: 1051200 606.8325 1832.5925 1975.1730 99.1534 2.2462 -1089.1532 0.0000 0.0000 2681.0563 6107.9008 296.1301 3426.8445 6139.4269 293.7374 PRESSURE: 1051400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1051400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1051400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1051400 0 0 0 0 0 0 0 0 0 TIMING: 1051400 CPU: 4158.13, 0.00395725/step Wall: 4158.13, 0.00395725/step, 1.59236 hours remaining, 113.554688 MB of memory in use. ENERGY: 1051400 660.9748 1828.7834 1950.2670 121.9099 2.3083 -1103.3121 0.0000 0.0000 2690.2516 6151.1827 297.1458 3460.9311 6183.2396 296.7371 PRESSURE: 1051600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1051600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1051600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1051600 0 0 0 0 0 0 0 0 0 TIMING: 1051600 CPU: 4158.92, 0.00395347/step Wall: 4158.92, 0.00395347/step, 1.59061 hours remaining, 113.554688 MB of memory in use. ENERGY: 1051600 638.7810 1809.0222 1988.7278 97.7862 1.3582 -1107.6410 0.0000 0.0000 2665.5788 6093.6131 294.4206 3428.0343 6125.4981 295.7454 PRESSURE: 1051800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1051800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1051800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1051800 0 0 0 0 0 0 0 0 0 TIMING: 1051800 CPU: 4159.71, 0.00394975/step Wall: 4159.71, 0.00394975/step, 1.5889 hours remaining, 113.554688 MB of memory in use. ENERGY: 1051800 670.9870 1796.4057 1996.9159 99.9008 2.1277 -1105.0445 0.0000 0.0000 2608.5266 6069.8193 288.1190 3461.2926 6098.1297 292.2066 PRESSURE: 1052000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1052000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1052000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1052000 0 0 0 0 0 0 0 0 0 TIMING: 1052000 CPU: 4160.5, 0.00395472/step Wall: 4160.5, 0.00395472/step, 1.59067 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1052000 645.3281 1785.6796 1961.4876 111.6581 1.9913 -1078.6242 0.0000 0.0000 2626.3846 6053.9051 290.0915 3427.5205 6085.4794 291.6787 PRESSURE: 1052200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1052200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1052200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1052200 0 0 0 0 0 0 0 0 0 TIMING: 1052200 CPU: 4161.29, 0.00395434/step Wall: 4161.29, 0.00395434/step, 1.59031 hours remaining, 113.554688 MB of memory in use. ENERGY: 1052200 674.0536 1805.1684 1987.4618 100.1770 2.7102 -1138.6603 0.0000 0.0000 2662.8619 6093.7726 294.1205 3430.9108 6127.3448 292.6696 LDB: ============= START OF LOAD BALANCING ============== 4164.25 LDB: ============== END OF LOAD BALANCING =============== 4164.25 LDB: =============== DONE WITH MIGRATION ================ 4164.25 LDB: ============= START OF LOAD BALANCING ============== 4164.64 LDB: ============== END OF LOAD BALANCING =============== 4164.64 LDB: =============== DONE WITH MIGRATION ================ 4164.64 PRESSURE: 1052400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1052400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1052400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1052400 0 0 0 0 0 0 0 0 0 TIMING: 1052400 CPU: 4162.08, 0.00395927/step Wall: 4162.08, 0.00395927/step, 1.59207 hours remaining, 113.554688 MB of memory in use. ENERGY: 1052400 608.1775 1811.7991 1976.1015 114.6154 1.5046 -1106.5311 0.0000 0.0000 2731.9646 6137.6316 301.7531 3405.6671 6171.2408 295.4495 PRESSURE: 1052600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1052600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1052600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1052600 0 0 0 0 0 0 0 0 0 TIMING: 1052600 CPU: 4162.87, 0.00395678/step Wall: 4162.87, 0.00395678/step, 1.59085 hours remaining, 113.554688 MB of memory in use. ENERGY: 1052600 643.7027 1812.5452 1997.8518 103.5986 2.1191 -1089.2532 0.0000 0.0000 2737.9667 6208.5309 302.4160 3470.5642 6243.9440 298.2902 PRESSURE: 1052800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1052800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1052800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1052800 0 0 0 0 0 0 0 0 0 TIMING: 1052800 CPU: 4163.66, 0.00395035/step Wall: 4163.66, 0.00395035/step, 1.58804 hours remaining, 113.554688 MB of memory in use. ENERGY: 1052800 625.0578 1818.6876 1984.7322 106.1396 2.8811 -1044.5147 0.0000 0.0000 2710.6521 6203.6357 299.3991 3492.9836 6236.9695 299.1013 PRESSURE: 1053000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1053000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1053000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1053000 0 0 0 0 0 0 0 0 0 TIMING: 1053000 CPU: 4164.45, 0.00395339/step Wall: 4164.45, 0.00395339/step, 1.58904 hours remaining, 113.554688 MB of memory in use. ENERGY: 1053000 673.8845 1873.9802 1968.2235 117.8224 1.1144 -1086.1293 0.0000 0.0000 2720.9280 6269.8237 300.5341 3548.8958 6303.1290 300.2931 PRESSURE: 1053200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1053200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1053200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1053200 0 0 0 0 0 0 0 0 0 TIMING: 1053200 CPU: 4165.24, 0.00395456/step Wall: 4165.24, 0.00395456/step, 1.58929 hours remaining, 113.554688 MB of memory in use. ENERGY: 1053200 662.2665 1816.9864 1978.7341 101.2414 2.2555 -1070.9598 0.0000 0.0000 2720.8281 6211.3521 300.5230 3490.5241 6244.4115 301.0015 PRESSURE: 1053400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1053400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1053400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1053400 0 0 0 0 0 0 0 0 0 TIMING: 1053400 CPU: 4166.03, 0.00395465/step Wall: 4166.03, 0.00395465/step, 1.58911 hours remaining, 113.554688 MB of memory in use. ENERGY: 1053400 628.6519 1855.0794 1995.8779 109.9855 3.1862 -1055.7278 0.0000 0.0000 2719.6054 6256.6584 300.3880 3537.0530 6289.1633 302.5431 PRESSURE: 1053600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1053600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1053600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1053600 0 0 0 0 0 0 0 0 0 TIMING: 1053600 CPU: 4166.82, 0.00394892/step Wall: 4166.82, 0.00394892/step, 1.58659 hours remaining, 113.554688 MB of memory in use. ENERGY: 1053600 689.2207 1826.9029 1989.4349 113.5710 2.2731 -1072.2856 0.0000 0.0000 2660.5546 6209.6715 293.8657 3549.1169 6239.6852 300.8467 PRESSURE: 1053800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1053800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1053800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1053800 0 0 0 0 0 0 0 0 0 TIMING: 1053800 CPU: 4167.61, 0.00395386/step Wall: 4167.61, 0.00395386/step, 1.58835 hours remaining, 113.554688 MB of memory in use. ENERGY: 1053800 672.1127 1841.1471 1982.2995 110.7831 2.5486 -1118.7558 0.0000 0.0000 2775.8990 6266.0342 306.6058 3490.1352 6299.8312 302.1793 PRESSURE: 1054000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1054000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1054000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1054000 0 0 0 0 0 0 0 0 0 TIMING: 1054000 CPU: 4168.41, 0.00395368/step Wall: 4168.41, 0.00395368/step, 1.58806 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1054000 645.2871 1858.0533 1990.3366 112.7291 2.8694 -1083.0595 0.0000 0.0000 2750.2211 6276.4372 303.7696 3526.2160 6308.6149 303.1829 PRESSURE: 1054200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1054200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1054200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1054200 0 0 0 0 0 0 0 0 0 TIMING: 1054200 CPU: 4169.2, 0.00395285/step Wall: 4169.2, 0.00395285/step, 1.58751 hours remaining, 113.554688 MB of memory in use. ENERGY: 1054200 679.4304 1815.2985 2002.6117 115.1018 1.9744 -1084.1088 0.0000 0.0000 2706.3623 6236.6704 298.9253 3530.3081 6269.2522 300.9148 PRESSURE: 1054400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1054400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1054400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1054400 0 0 0 0 0 0 0 0 0 TIMING: 1054400 CPU: 4169.99, 0.00395215/step Wall: 4169.99, 0.00395215/step, 1.58701 hours remaining, 113.554688 MB of memory in use. ENERGY: 1054400 665.8553 1834.2747 1982.0068 103.7218 3.0919 -1071.0375 0.0000 0.0000 2795.5951 6313.5080 308.7813 3517.9129 6347.6027 302.3744 PRESSURE: 1054600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1054600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1054600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1054600 0 0 0 0 0 0 0 0 0 TIMING: 1054600 CPU: 4170.78, 0.0039485/step Wall: 4170.78, 0.0039485/step, 1.58532 hours remaining, 113.554688 MB of memory in use. ENERGY: 1054600 668.1990 1869.8771 1996.6770 107.6696 2.3541 -1051.0919 0.0000 0.0000 2730.0677 6323.7525 301.5436 3593.6848 6355.6075 304.6983 PRESSURE: 1054800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1054800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1054800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1054800 0 0 0 0 0 0 0 0 0 TIMING: 1054800 CPU: 4171.57, 0.00395388/step Wall: 4171.57, 0.00395388/step, 1.58726 hours remaining, 113.554688 MB of memory in use. ENERGY: 1054800 656.2795 1888.8061 1985.0197 124.1279 1.3613 -1088.6128 0.0000 0.0000 2714.5582 6281.5400 299.8305 3566.9818 6314.4861 302.7497 PRESSURE: 1055000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1055000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1055000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1055000 0 0 0 0 0 0 0 0 0 TIMING: 1055000 CPU: 4172.36, 0.00395251/step Wall: 4172.36, 0.00395251/step, 1.58649 hours remaining, 113.554688 MB of memory in use. ENERGY: 1055000 631.6056 1840.3865 1981.1729 122.5473 2.2698 -1082.5010 0.0000 0.0000 2748.0855 6243.5664 303.5337 3495.4809 6277.9161 303.0023 PRESSURE: 1055200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1055200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1055200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1055200 0 0 0 0 0 0 0 0 0 TIMING: 1055200 CPU: 4173.15, 0.00395344/step Wall: 4173.15, 0.00395344/step, 1.58665 hours remaining, 113.554688 MB of memory in use. ENERGY: 1055200 621.6048 1877.2636 1981.4546 105.9168 2.2821 -1090.4641 0.0000 0.0000 2761.6047 6259.6626 305.0269 3498.0579 6293.5312 302.7508 PRESSURE: 1055400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1055400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1055400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1055400 0 0 0 0 0 0 0 0 0 TIMING: 1055400 CPU: 4173.94, 0.00395283/step Wall: 4173.94, 0.00395283/step, 1.58618 hours remaining, 113.554688 MB of memory in use. ENERGY: 1055400 614.5382 1819.5841 1978.2195 120.4835 1.4118 -1093.6292 0.0000 0.0000 2825.1436 6265.7514 312.0450 3440.6078 6300.7818 303.2337 PRESSURE: 1055600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1055600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1055600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1055600 0 0 0 0 0 0 0 0 0 TIMING: 1055600 CPU: 4174.73, 0.00394763/step Wall: 4174.73, 0.00394763/step, 1.58387 hours remaining, 113.554688 MB of memory in use. ENERGY: 1055600 691.8151 1862.7365 1993.2759 101.3135 1.3934 -1080.8568 0.0000 0.0000 2676.9672 6246.6448 295.6785 3569.6775 6276.8572 302.0593 PRESSURE: 1055800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1055800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1055800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1055800 0 0 0 0 0 0 0 0 0 TIMING: 1055800 CPU: 4175.52, 0.00395339/step Wall: 4175.52, 0.00395339/step, 1.58597 hours remaining, 113.554688 MB of memory in use. ENERGY: 1055800 641.8083 1806.4890 1961.3112 102.9224 1.5003 -1050.8166 0.0000 0.0000 2769.1547 6232.3692 305.8608 3463.2145 6265.3623 300.0750 PRESSURE: 1056000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1056000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1056000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1056000 0 0 0 0 0 0 0 0 0 TIMING: 1056000 CPU: 4176.31, 0.00395191/step Wall: 4176.31, 0.00395191/step, 1.58516 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1056000 669.0913 1808.3168 1994.0624 108.4593 2.7604 -1092.8208 0.0000 0.0000 2705.0249 6194.8943 298.7775 3489.8694 6229.6871 300.0051 PRESSURE: 1056200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1056200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1056200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1056200 0 0 0 0 0 0 0 0 0 TIMING: 1056200 CPU: 4177.1, 0.0039534/step Wall: 4177.1, 0.0039534/step, 1.58553 hours remaining, 113.554688 MB of memory in use. ENERGY: 1056200 688.6407 1813.6800 1971.7666 110.3576 0.8767 -1112.2159 0.0000 0.0000 2673.7760 6146.8817 295.3260 3473.1056 6179.7059 297.5607 LDB: ============= START OF LOAD BALANCING ============== 4180.06 LDB: ============== END OF LOAD BALANCING =============== 4180.06 LDB: =============== DONE WITH MIGRATION ================ 4180.06 LDB: ============= START OF LOAD BALANCING ============== 4180.46 LDB: ============== END OF LOAD BALANCING =============== 4180.46 LDB: =============== DONE WITH MIGRATION ================ 4180.46 PRESSURE: 1056400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1056400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1056400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1056400 0 0 0 0 0 0 0 0 0 TIMING: 1056400 CPU: 4177.89, 0.00395604/step Wall: 4177.89, 0.00395604/step, 1.58637 hours remaining, 113.554688 MB of memory in use. ENERGY: 1056400 629.3634 1839.8086 1983.8332 92.0930 2.9633 -1042.0938 0.0000 0.0000 2642.1456 6148.1134 291.8323 3505.9678 6180.5314 295.5620 PRESSURE: 1056600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1056600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1056600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1056600 0 0 0 0 0 0 0 0 0 TIMING: 1056600 CPU: 4178.68, 0.00394867/step Wall: 4178.68, 0.00394867/step, 1.5832 hours remaining, 113.554688 MB of memory in use. ENERGY: 1056600 631.5277 1842.8657 1994.7940 110.7674 4.8289 -1069.9144 0.0000 0.0000 2662.1437 6177.0130 294.0412 3514.8693 6207.4623 296.1124 PRESSURE: 1056800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1056800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1056800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1056800 0 0 0 0 0 0 0 0 0 TIMING: 1056800 CPU: 4179.47, 0.00396217/step Wall: 4179.47, 0.00396217/step, 1.58839 hours remaining, 113.554688 MB of memory in use. ENERGY: 1056800 645.4621 1859.8234 1993.5610 117.5266 2.0044 -1034.8773 0.0000 0.0000 2663.2618 6246.7621 294.1647 3583.5002 6278.8751 298.3498 PRESSURE: 1057000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1057000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1057000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1057000 0 0 0 0 0 0 0 0 0 TIMING: 1057000 CPU: 4180.26, 0.00394881/step Wall: 4180.26, 0.00394881/step, 1.58282 hours remaining, 113.554688 MB of memory in use. ENERGY: 1057000 647.3299 1867.8738 1978.2945 90.8861 1.6749 -1064.5302 0.0000 0.0000 2737.5315 6259.0604 302.3680 3521.5289 6294.3861 301.7674 PRESSURE: 1057200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1057200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1057200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1057200 0 0 0 0 0 0 0 0 0 TIMING: 1057200 CPU: 4181.05, 0.00395076/step Wall: 4181.05, 0.00395076/step, 1.58338 hours remaining, 113.554688 MB of memory in use. ENERGY: 1057200 610.8131 1937.7263 1963.2875 102.4530 3.7646 -1079.4525 0.0000 0.0000 2692.4469 6231.0389 297.3883 3538.5920 6263.4821 300.5873 PRESSURE: 1057400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1057400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1057400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1057400 0 0 0 0 0 0 0 0 0 TIMING: 1057400 CPU: 4181.84, 0.00394718/step Wall: 4181.84, 0.00394718/step, 1.58172 hours remaining, 113.554688 MB of memory in use. ENERGY: 1057400 637.4829 1836.8371 1980.8662 107.3341 1.9653 -1076.8517 0.0000 0.0000 2764.2269 6251.8609 305.3166 3487.6340 6283.5649 299.9171 PRESSURE: 1057600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1057600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1057600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1057600 0 0 0 0 0 0 0 0 0 TIMING: 1057600 CPU: 4182.64, 0.00396297/step Wall: 4182.64, 0.00396297/step, 1.58783 hours remaining, 113.554688 MB of memory in use. ENERGY: 1057600 674.8261 1848.8049 2002.1167 89.3965 3.0295 -1104.1997 0.0000 0.0000 2709.8291 6223.8029 299.3082 3513.9738 6255.0945 301.4729 PRESSURE: 1057800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1057800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1057800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1057800 0 0 0 0 0 0 0 0 0 TIMING: 1057800 CPU: 4183.43, 0.00395391/step Wall: 4183.43, 0.00395391/step, 1.58398 hours remaining, 113.554688 MB of memory in use. ENERGY: 1057800 629.4114 1835.0766 1988.8312 99.2658 3.3352 -1056.7619 0.0000 0.0000 2759.2308 6258.3891 304.7647 3499.1583 6292.5004 301.8532 PRESSURE: 1058000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1058000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1058000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1058000 0 0 0 0 0 0 0 0 0 TIMING: 1058000 CPU: 4184.22, 0.00395532/step Wall: 4184.22, 0.00395532/step, 1.58432 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1058000 678.7299 1879.4576 1984.5495 94.3373 3.8190 -1078.1269 0.0000 0.0000 2658.9279 6221.6944 293.6860 3562.7665 6252.9972 300.9437 PRESSURE: 1058200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1058200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1058200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1058200 0 0 0 0 0 0 0 0 0 TIMING: 1058200 CPU: 4185.01, 0.00395057/step Wall: 4185.01, 0.00395057/step, 1.5822 hours remaining, 113.554688 MB of memory in use. ENERGY: 1058200 666.9386 1851.8763 1990.6847 113.4202 1.4435 -1078.1749 0.0000 0.0000 2671.0909 6217.2792 295.0294 3546.1883 6248.4134 299.3929 PRESSURE: 1058400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1058400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1058400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1058400 0 0 0 0 0 0 0 0 0 TIMING: 1058400 CPU: 4185.8, 0.00394922/step Wall: 4185.8, 0.00394922/step, 1.58144 hours remaining, 113.554688 MB of memory in use. ENERGY: 1058400 634.4526 1857.9426 1956.1384 105.2370 3.3344 -1065.1098 0.0000 0.0000 2716.4963 6208.4916 300.0446 3491.9952 6245.0913 300.1357 PRESSURE: 1058600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1058600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1058600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1058600 0 0 0 0 0 0 0 0 0 TIMING: 1058600 CPU: 4186.59, 0.00395158/step Wall: 4186.59, 0.00395158/step, 1.58217 hours remaining, 113.554688 MB of memory in use. ENERGY: 1058600 647.5389 1795.6335 1985.4615 109.0397 2.3621 -1060.7257 0.0000 0.0000 2783.4536 6262.7636 307.4402 3479.3100 6296.6020 300.5574 PRESSURE: 1058800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1058800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1058800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1058800 0 0 0 0 0 0 0 0 0 TIMING: 1058800 CPU: 4187.38, 0.00395168/step Wall: 4187.38, 0.00395168/step, 1.58199 hours remaining, 113.554688 MB of memory in use. ENERGY: 1058800 655.7865 1833.8762 1983.8580 116.0149 1.1799 -1085.8555 0.0000 0.0000 2743.1918 6248.0518 302.9932 3504.8600 6282.7951 301.4880 PRESSURE: 1059000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1059000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1059000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1059000 0 0 0 0 0 0 0 0 0 TIMING: 1059000 CPU: 4188.17, 0.00394953/step Wall: 4188.17, 0.00394953/step, 1.58091 hours remaining, 113.554688 MB of memory in use. ENERGY: 1059000 631.5572 1829.0453 1986.7351 103.6375 2.8747 -1059.6795 0.0000 0.0000 2813.0376 6307.2080 310.7078 3494.1704 6343.2640 301.8259 PRESSURE: 1059200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1059200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1059200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1059200 0 0 0 0 0 0 0 0 0 TIMING: 1059200 CPU: 4188.96, 0.00394958/step Wall: 4188.96, 0.00394958/step, 1.58071 hours remaining, 113.554688 MB of memory in use. ENERGY: 1059200 697.9901 1870.4545 1954.6292 112.4067 1.9374 -1097.9520 0.0000 0.0000 2725.1280 6264.5939 300.9980 3539.4659 6300.7756 303.6139 PRESSURE: 1059400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1059400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1059400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1059400 0 0 0 0 0 0 0 0 0 TIMING: 1059400 CPU: 4189.75, 0.00394676/step Wall: 4189.75, 0.00394676/step, 1.57936 hours remaining, 113.554688 MB of memory in use. ENERGY: 1059400 689.4581 1853.3150 1977.0532 114.8709 1.8142 -1112.5908 0.0000 0.0000 2656.5616 6180.4822 293.4246 3523.9205 6210.0890 300.0471 PRESSURE: 1059600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1059600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1059600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1059600 0 0 0 0 0 0 0 0 0 TIMING: 1059600 CPU: 4190.54, 0.00395011/step Wall: 4190.54, 0.00395011/step, 1.58048 hours remaining, 113.554688 MB of memory in use. ENERGY: 1059600 640.8012 1890.8028 1987.4917 101.1449 2.2523 -1097.4869 0.0000 0.0000 2668.7587 6193.7647 294.7718 3525.0060 6218.5267 298.9894 PRESSURE: 1059800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1059800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1059800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1059800 0 0 0 0 0 0 0 0 0 TIMING: 1059800 CPU: 4191.33, 0.0039507/step Wall: 4191.33, 0.0039507/step, 1.5805 hours remaining, 113.554688 MB of memory in use. ENERGY: 1059800 647.1872 1878.2009 1952.9120 105.5639 3.0139 -1089.0124 0.0000 0.0000 2678.3469 6176.2125 295.8309 3497.8655 6207.8904 299.3928 PRESSURE: 1060000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1060000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1060000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1060000 0 0 0 0 0 0 0 0 0 TIMING: 1060000 CPU: 4192.12, 0.0039508/step Wall: 4192.12, 0.0039508/step, 1.58032 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1060000 612.7690 1865.2687 1967.1207 99.4475 2.8502 -1066.3179 0.0000 0.0000 2678.5155 6159.6536 295.8495 3481.1381 6191.8233 296.7943 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1060000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1060000 WRITING COORDINATES TO RESTART FILE AT STEP 1060000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1060000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1060200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1060200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1060200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1060200 0 0 0 0 0 0 0 0 0 TIMING: 1060200 CPU: 4192.95, 0.00416814/step Wall: 4192.95, 0.00416814/step, 1.66703 hours remaining, 113.554688 MB of memory in use. ENERGY: 1060200 648.6183 1859.2714 1970.7700 107.3716 2.0516 -1061.6755 0.0000 0.0000 2635.2404 6161.6478 291.0696 3526.4074 6192.8308 295.1810 LDB: ============= START OF LOAD BALANCING ============== 4195.91 LDB: ============== END OF LOAD BALANCING =============== 4195.91 LDB: =============== DONE WITH MIGRATION ================ 4195.91 LDB: ============= START OF LOAD BALANCING ============== 4196.31 LDB: ============== END OF LOAD BALANCING =============== 4196.31 LDB: =============== DONE WITH MIGRATION ================ 4196.31 PRESSURE: 1060400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1060400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1060400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1060400 0 0 0 0 0 0 0 0 0 TIMING: 1060400 CPU: 4193.74, 0.00395334/step Wall: 4193.74, 0.00395334/step, 1.5809 hours remaining, 113.554688 MB of memory in use. ENERGY: 1060400 667.8846 1824.8352 1974.9453 106.0294 1.5536 -1081.3905 0.0000 0.0000 2606.7753 6100.6330 287.9256 3493.8577 6129.4924 293.7442 PRESSURE: 1060600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1060600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1060600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1060600 0 0 0 0 0 0 0 0 0 TIMING: 1060600 CPU: 4194.53, 0.0039511/step Wall: 4194.53, 0.0039511/step, 1.57978 hours remaining, 113.554688 MB of memory in use. ENERGY: 1060600 667.8805 1853.1820 1989.2163 106.9302 1.4077 -1104.4691 0.0000 0.0000 2605.8072 6119.9548 287.8187 3514.1476 6150.9655 294.6225 PRESSURE: 1060800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1060800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1060800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1060800 0 0 0 0 0 0 0 0 0 TIMING: 1060800 CPU: 4195.32, 0.00395079/step Wall: 4195.32, 0.00395079/step, 1.57944 hours remaining, 113.554688 MB of memory in use. ENERGY: 1060800 642.4347 1772.3530 2017.5748 112.8417 0.8725 -1076.3197 0.0000 0.0000 2646.9075 6116.6645 292.3583 3469.7570 6151.5693 293.2965 PRESSURE: 1061000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1061000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1061000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1061000 0 0 0 0 0 0 0 0 0 TIMING: 1061000 CPU: 4196.11, 0.00395184/step Wall: 4196.11, 0.00395184/step, 1.57964 hours remaining, 113.554688 MB of memory in use. ENERGY: 1061000 658.4151 1826.5106 1984.6573 111.7995 1.2053 -1075.5502 0.0000 0.0000 2648.5316 6155.5692 292.5377 3507.0376 6186.1608 295.0189 PRESSURE: 1061200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1061200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1061200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1061200 0 0 0 0 0 0 0 0 0 TIMING: 1061200 CPU: 4196.9, 0.0039483/step Wall: 4196.9, 0.0039483/step, 1.578 hours remaining, 113.554688 MB of memory in use. ENERGY: 1061200 621.3904 1803.0778 1967.0500 94.0981 2.8786 -1109.2404 0.0000 0.0000 2772.9735 6152.2281 306.2827 3379.2546 6186.2516 295.5898 PRESSURE: 1061400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1061400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1061400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1061400 0 0 0 0 0 0 0 0 0 TIMING: 1061400 CPU: 4197.69, 0.00395152/step Wall: 4197.69, 0.00395152/step, 1.57907 hours remaining, 113.554688 MB of memory in use. ENERGY: 1061400 662.5242 1853.4534 1990.0546 109.4124 1.4555 -1095.6880 0.0000 0.0000 2722.0199 6243.2319 300.6547 3521.2121 6274.5031 297.2014 PRESSURE: 1061600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1061600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1061600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1061600 0 0 0 0 0 0 0 0 0 TIMING: 1061600 CPU: 4198.48, 0.00394945/step Wall: 4198.48, 0.00394945/step, 1.57802 hours remaining, 113.554688 MB of memory in use. ENERGY: 1061600 660.3236 1839.1089 2000.6789 106.6303 3.2851 -1088.6272 0.0000 0.0000 2729.7355 6251.1350 301.5069 3521.3995 6283.0788 300.9908 PRESSURE: 1061800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1061800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1061800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1061800 0 0 0 0 0 0 0 0 0 TIMING: 1061800 CPU: 4199.27, 0.00395042/step Wall: 4199.27, 0.00395042/step, 1.57819 hours remaining, 113.554688 MB of memory in use. ENERGY: 1061800 643.8372 1846.4371 1985.8605 105.7535 2.4036 -1063.5631 0.0000 0.0000 2740.8772 6261.6059 302.7375 3520.7287 6295.3955 302.4710 PRESSURE: 1062000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1062000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1062000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1062000 0 0 0 0 0 0 0 0 0 TIMING: 1062000 CPU: 4200.06, 0.00395072/step Wall: 4200.06, 0.00395072/step, 1.57809 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1062000 611.1483 1793.8300 1988.4130 117.4678 2.6777 -1053.2417 0.0000 0.0000 2739.1527 6199.4479 302.5470 3460.2952 6231.1097 300.1556 PRESSURE: 1062200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1062200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1062200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1062200 0 0 0 0 0 0 0 0 0 TIMING: 1062200 CPU: 4200.85, 0.00394871/step Wall: 4200.85, 0.00394871/step, 1.57707 hours remaining, 113.554688 MB of memory in use. ENERGY: 1062200 641.5340 1885.1790 1967.3979 113.3410 2.4625 -1095.0984 0.0000 0.0000 2725.7287 6240.5449 301.0643 3514.8161 6271.8037 300.0934 PRESSURE: 1062400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1062400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1062400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1062400 0 0 0 0 0 0 0 0 0 TIMING: 1062400 CPU: 4201.64, 0.00395132/step Wall: 4201.64, 0.00395132/step, 1.57789 hours remaining, 113.554688 MB of memory in use. ENERGY: 1062400 656.3209 1823.9865 1980.9063 106.7113 3.1850 -1077.5443 0.0000 0.0000 2703.6694 6197.2352 298.6278 3493.5658 6230.1289 299.0340 PRESSURE: 1062600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1062600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1062600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1062600 0 0 0 0 0 0 0 0 0 TIMING: 1062600 CPU: 4202.43, 0.00395201/step Wall: 4202.43, 0.00395201/step, 1.57795 hours remaining, 113.554688 MB of memory in use. ENERGY: 1062600 637.9991 1855.1419 1989.5266 118.5152 2.6673 -1091.4871 0.0000 0.0000 2723.7610 6236.1241 300.8470 3512.3631 6267.6437 300.9221 PRESSURE: 1062800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1062800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1062800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1062800 0 0 0 0 0 0 0 0 0 TIMING: 1062800 CPU: 4203.22, 0.00395273/step Wall: 4203.22, 0.00395273/step, 1.57802 hours remaining, 113.554688 MB of memory in use. ENERGY: 1062800 660.0030 1866.8420 1978.2057 98.1232 2.2062 -1087.6577 0.0000 0.0000 2703.0524 6220.7747 298.5597 3517.7223 6253.6608 301.4870 PRESSURE: 1063000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1063000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1063000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1063000 0 0 0 0 0 0 0 0 0 TIMING: 1063000 CPU: 4204.01, 0.00395223/step Wall: 4204.01, 0.00395223/step, 1.5776 hours remaining, 113.554688 MB of memory in use. ENERGY: 1063000 656.1461 1859.5982 2000.5718 110.6723 1.2471 -1097.4332 0.0000 0.0000 2643.2145 6174.0168 291.9504 3530.8023 6210.5036 298.0767 PRESSURE: 1063200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1063200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1063200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1063200 0 0 0 0 0 0 0 0 0 TIMING: 1063200 CPU: 4204.8, 0.00394967/step Wall: 4204.8, 0.00394967/step, 1.57636 hours remaining, 113.554688 MB of memory in use. ENERGY: 1063200 662.6276 1835.0079 1992.4370 96.8955 2.6069 -1076.4978 0.0000 0.0000 2710.4987 6223.5758 299.3821 3513.0771 6255.6458 297.7259 PRESSURE: 1063400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1063400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1063400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1063400 0 0 0 0 0 0 0 0 0 TIMING: 1063400 CPU: 4205.59, 0.00395286/step Wall: 4205.59, 0.00395286/step, 1.57741 hours remaining, 113.554688 MB of memory in use. ENERGY: 1063400 623.8649 1862.2914 1993.1488 125.0613 2.3761 -1079.6804 0.0000 0.0000 2666.5231 6193.5852 294.5249 3527.0620 6225.4126 298.5721 PRESSURE: 1063600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1063600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1063600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1063600 0 0 0 0 0 0 0 0 0 TIMING: 1063600 CPU: 4206.38, 0.00395176/step Wall: 4206.38, 0.00395176/step, 1.57675 hours remaining, 113.554688 MB of memory in use. ENERGY: 1063600 653.6434 1844.7248 1982.3624 119.9358 2.2001 -1064.8104 0.0000 0.0000 2721.7265 6259.7826 300.6223 3538.0561 6292.7125 299.8778 PRESSURE: 1063800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1063800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1063800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1063800 0 0 0 0 0 0 0 0 0 TIMING: 1063800 CPU: 4207.18, 0.00395159/step Wall: 4207.18, 0.00395159/step, 1.57646 hours remaining, 113.554688 MB of memory in use. ENERGY: 1063800 675.9088 1865.0910 1993.3620 110.4621 3.6210 -1091.4940 0.0000 0.0000 2695.2551 6252.2060 297.6984 3556.9509 6285.4186 301.6233 PRESSURE: 1064000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1064000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1064000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1064000 0 0 0 0 0 0 0 0 0 TIMING: 1064000 CPU: 4207.97, 0.00395108/step Wall: 4207.97, 0.00395108/step, 1.57604 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1064000 627.1207 1849.0285 2006.5144 109.6689 2.8791 -1038.9221 0.0000 0.0000 2689.6183 6245.9079 297.0758 3556.2896 6276.6518 300.6278 PRESSURE: 1064200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1064200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1064200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1064200 0 0 0 0 0 0 0 0 0 TIMING: 1064200 CPU: 4208.76, 0.00395014/step Wall: 4208.76, 0.00395014/step, 1.57545 hours remaining, 113.554688 MB of memory in use. ENERGY: 1064200 651.4777 1815.2263 1970.4726 107.9802 3.8623 -1085.6735 0.0000 0.0000 2702.7113 6166.0569 298.5220 3463.3455 6201.1476 297.6558 LDB: ============= START OF LOAD BALANCING ============== 4211.72 LDB: ============== END OF LOAD BALANCING =============== 4211.72 LDB: =============== DONE WITH MIGRATION ================ 4211.72 LDB: ============= START OF LOAD BALANCING ============== 4212.11 LDB: ============== END OF LOAD BALANCING =============== 4212.11 LDB: =============== DONE WITH MIGRATION ================ 4212.11 PRESSURE: 1064400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1064400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1064400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1064400 0 0 0 0 0 0 0 0 0 TIMING: 1064400 CPU: 4209.55, 0.00395653/step Wall: 4209.55, 0.00395653/step, 1.57778 hours remaining, 113.554688 MB of memory in use. ENERGY: 1064400 654.0667 1793.1317 1988.8304 122.2509 3.1201 -1073.1824 0.0000 0.0000 2685.9129 6174.1303 296.6666 3488.2174 6204.7619 297.3697 PRESSURE: 1064600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1064600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1064600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1064600 0 0 0 0 0 0 0 0 0 TIMING: 1064600 CPU: 4210.34, 0.00395416/step Wall: 4210.34, 0.00395416/step, 1.57661 hours remaining, 113.554688 MB of memory in use. ENERGY: 1064600 666.0385 1824.0816 1991.8493 110.1237 2.0786 -1094.3786 0.0000 0.0000 2716.8113 6216.6045 300.0794 3499.7931 6249.5116 297.0287 PRESSURE: 1064800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1064800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1064800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1064800 0 0 0 0 0 0 0 0 0 TIMING: 1064800 CPU: 4211.13, 0.00395516/step Wall: 4211.13, 0.00395516/step, 1.57679 hours remaining, 113.554688 MB of memory in use. ENERGY: 1064800 693.1740 1816.6217 1976.8012 99.2710 1.6166 -1052.6506 0.0000 0.0000 2718.4165 6253.2503 300.2567 3534.8339 6283.7755 299.6133 PRESSURE: 1065000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1065000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1065000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1065000 0 0 0 0 0 0 0 0 0 TIMING: 1065000 CPU: 4211.92, 0.00394856/step Wall: 4211.92, 0.00394856/step, 1.57394 hours remaining, 113.554688 MB of memory in use. ENERGY: 1065000 659.1790 1861.7038 1985.0356 101.3838 2.2397 -1071.0542 0.0000 0.0000 2723.5833 6262.0709 300.8274 3538.4876 6294.3060 300.4085 PRESSURE: 1065200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1065200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1065200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1065200 0 0 0 0 0 0 0 0 0 TIMING: 1065200 CPU: 4212.71, 0.00395373/step Wall: 4212.71, 0.00395373/step, 1.57578 hours remaining, 113.554688 MB of memory in use. ENERGY: 1065200 678.1546 1816.4870 1983.5757 112.0296 2.6948 -1066.9133 0.0000 0.0000 2668.1003 6194.1287 294.6991 3526.0284 6226.7091 298.3028 PRESSURE: 1065400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1065400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1065400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1065400 0 0 0 0 0 0 0 0 0 TIMING: 1065400 CPU: 4213.5, 0.00395423/step Wall: 4213.5, 0.00395423/step, 1.57576 hours remaining, 113.554688 MB of memory in use. ENERGY: 1065400 642.7224 1821.3894 1981.2149 114.5084 1.3919 -1064.7491 0.0000 0.0000 2729.3312 6225.8090 301.4622 3496.4778 6257.7630 299.6615 PRESSURE: 1065600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1065600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1065600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1065600 0 0 0 0 0 0 0 0 0 TIMING: 1065600 CPU: 4214.29, 0.00395163/step Wall: 4214.29, 0.00395163/step, 1.5745 hours remaining, 113.554688 MB of memory in use. ENERGY: 1065600 655.1514 1865.9217 1987.3706 113.2685 2.2043 -1094.6328 0.0000 0.0000 2718.5631 6247.8466 300.2729 3529.2835 6283.4069 300.7075 PRESSURE: 1065800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1065800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1065800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1065800 0 0 0 0 0 0 0 0 0 TIMING: 1065800 CPU: 4215.08, 0.00395316/step Wall: 4215.08, 0.00395316/step, 1.57489 hours remaining, 113.554688 MB of memory in use. ENERGY: 1065800 670.4215 1850.7300 2001.2306 99.3494 2.2782 -1071.0663 0.0000 0.0000 2723.6059 6276.5493 300.8299 3552.9434 6310.7142 300.0043 PRESSURE: 1066000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1066000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1066000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1066000 0 0 0 0 0 0 0 0 0 TIMING: 1066000 CPU: 4215.87, 0.0039483/step Wall: 4215.87, 0.0039483/step, 1.57274 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1066000 647.8054 1848.2975 1968.0462 112.6904 1.5520 -1072.5922 0.0000 0.0000 2720.9054 6226.7046 300.5316 3505.7992 6258.5122 301.6875 PRESSURE: 1066200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1066200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1066200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1066200 0 0 0 0 0 0 0 0 0 TIMING: 1066200 CPU: 4216.66, 0.00395029/step Wall: 4216.66, 0.00395029/step, 1.57331 hours remaining, 113.554688 MB of memory in use. ENERGY: 1066200 646.5819 1851.3756 2011.8411 99.8450 2.1407 -1074.3657 0.0000 0.0000 2793.6203 6331.0389 308.5631 3537.4186 6364.9421 302.9822 PRESSURE: 1066400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1066400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1066400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1066400 0 0 0 0 0 0 0 0 0 TIMING: 1066400 CPU: 4217.45, 0.00395228/step Wall: 4217.45, 0.00395228/step, 1.57388 hours remaining, 113.554688 MB of memory in use. ENERGY: 1066400 669.2636 1808.6889 2008.6999 93.4652 1.8395 -1057.7521 0.0000 0.0000 2775.7469 6299.9519 306.5890 3524.2050 6333.3203 303.9137 PRESSURE: 1066600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1066600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1066600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1066600 0 0 0 0 0 0 0 0 0 TIMING: 1066600 CPU: 4218.24, 0.00395103/step Wall: 4218.24, 0.00395103/step, 1.57317 hours remaining, 113.554688 MB of memory in use. ENERGY: 1066600 668.3599 1891.7625 2015.0098 104.1521 1.4428 -1056.7108 0.0000 0.0000 2715.7312 6339.7475 299.9601 3624.0163 6373.1707 304.9216 PRESSURE: 1066800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1066800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1066800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1066800 0 0 0 0 0 0 0 0 0 TIMING: 1066800 CPU: 4219.03, 0.0039584/step Wall: 4219.03, 0.0039584/step, 1.57588 hours remaining, 113.554688 MB of memory in use. ENERGY: 1066800 642.9381 1920.3855 2008.1617 104.2601 2.6254 -1065.2098 0.0000 0.0000 2743.0908 6356.2518 302.9820 3613.1610 6390.7285 304.2293 PRESSURE: 1067000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1067000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1067000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1067000 0 0 0 0 0 0 0 0 0 TIMING: 1067000 CPU: 4219.82, 0.00394739/step Wall: 4219.82, 0.00394739/step, 1.57128 hours remaining, 113.554688 MB of memory in use. ENERGY: 1067000 657.4517 1821.9012 1978.7695 107.7733 2.2532 -1037.6248 0.0000 0.0000 2760.8921 6291.4161 304.9482 3530.5240 6322.8353 302.5463 PRESSURE: 1067200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1067200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1067200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1067200 0 0 0 0 0 0 0 0 0 TIMING: 1067200 CPU: 4220.61, 0.00394704/step Wall: 4220.61, 0.00394704/step, 1.57092 hours remaining, 113.554688 MB of memory in use. ENERGY: 1067200 640.0978 1859.3087 1998.6316 116.1351 1.9821 -1030.8781 0.0000 0.0000 2727.9356 6313.2128 301.3081 3585.2772 6346.5329 301.2537 PRESSURE: 1067400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1067400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1067400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1067400 0 0 0 0 0 0 0 0 0 TIMING: 1067400 CPU: 4221.4, 0.00394965/step Wall: 4221.4, 0.00394965/step, 1.57174 hours remaining, 113.554688 MB of memory in use. ENERGY: 1067400 691.0638 1833.8258 2012.0601 108.6913 1.7542 -1037.8795 0.0000 0.0000 2701.2957 6310.8114 298.3656 3609.5157 6344.2620 301.0162 PRESSURE: 1067600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1067600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1067600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1067600 0 0 0 0 0 0 0 0 0 TIMING: 1067600 CPU: 4222.19, 0.00394871/step Wall: 4222.19, 0.00394871/step, 1.57115 hours remaining, 113.554688 MB of memory in use. ENERGY: 1067600 670.0414 1821.4892 1997.7104 91.9548 2.7602 -1056.4747 0.0000 0.0000 2696.8277 6224.3089 297.8721 3527.4812 6258.1645 302.3011 PRESSURE: 1067800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1067800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1067800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1067800 0 0 0 0 0 0 0 0 0 TIMING: 1067800 CPU: 4222.98, 0.00394923/step Wall: 4222.98, 0.00394923/step, 1.57114 hours remaining, 113.554688 MB of memory in use. ENERGY: 1067800 628.8955 1797.9421 1988.7277 99.1893 2.0247 -1032.0302 0.0000 0.0000 2662.5527 6147.3019 294.0864 3484.7492 6180.8472 296.9783 PRESSURE: 1068000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1068000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1068000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1068000 0 0 0 0 0 0 0 0 0 TIMING: 1068000 CPU: 4223.77, 0.00394901/step Wall: 4223.77, 0.00394901/step, 1.57083 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1068000 643.7856 1760.3067 1965.0201 111.0723 2.7690 -1037.3085 0.0000 0.0000 2652.8345 6098.4798 293.0130 3445.6452 6134.9914 292.1833 PRESSURE: 1068200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1068200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1068200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1068200 0 0 0 0 0 0 0 0 0 TIMING: 1068200 CPU: 4224.56, 0.00394926/step Wall: 4224.56, 0.00394926/step, 1.57071 hours remaining, 113.554688 MB of memory in use. ENERGY: 1068200 641.4096 1792.9478 1992.7306 101.6442 1.4744 -1058.5093 0.0000 0.0000 2674.1915 6145.8888 295.3719 3471.6973 6177.7705 293.6038 LDB: ============= START OF LOAD BALANCING ============== 4227.52 LDB: ============== END OF LOAD BALANCING =============== 4227.52 LDB: =============== DONE WITH MIGRATION ================ 4227.52 LDB: ============= START OF LOAD BALANCING ============== 4227.92 LDB: ============== END OF LOAD BALANCING =============== 4227.92 LDB: =============== DONE WITH MIGRATION ================ 4227.92 PRESSURE: 1068400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1068400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1068400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1068400 0 0 0 0 0 0 0 0 0 TIMING: 1068400 CPU: 4225.35, 0.00395645/step Wall: 4225.35, 0.00395645/step, 1.57335 hours remaining, 113.554688 MB of memory in use. ENERGY: 1068400 669.2265 1811.6221 2011.2051 108.0781 2.1854 -1081.4181 0.0000 0.0000 2648.5266 6169.4256 292.5371 3520.8991 6202.0482 296.3548 PRESSURE: 1068600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1068600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1068600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1068600 0 0 0 0 0 0 0 0 0 TIMING: 1068600 CPU: 4226.14, 0.00395285/step Wall: 4226.14, 0.00395285/step, 1.5717 hours remaining, 113.554688 MB of memory in use. ENERGY: 1068600 659.9503 1847.8204 1992.8838 112.1275 2.3760 -1094.5803 0.0000 0.0000 2619.3939 6139.9716 289.3194 3520.5777 6171.0704 296.0954 PRESSURE: 1068800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1068800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1068800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1068800 0 0 0 0 0 0 0 0 0 TIMING: 1068800 CPU: 4226.93, 0.00394822/step Wall: 4226.93, 0.00394822/step, 1.56964 hours remaining, 113.554688 MB of memory in use. ENERGY: 1068800 664.9316 1797.7695 2003.5918 91.4223 3.3138 -1075.9049 0.0000 0.0000 2693.4822 6178.6063 297.5026 3485.1241 6211.4657 294.4973 PRESSURE: 1069000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1069000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1069000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1069000 0 0 0 0 0 0 0 0 0 TIMING: 1069000 CPU: 4227.72, 0.00395062/step Wall: 4227.72, 0.00395062/step, 1.57037 hours remaining, 113.554688 MB of memory in use. ENERGY: 1069000 650.7307 1843.9433 1989.2008 98.2191 3.4514 -1070.1959 0.0000 0.0000 2666.6454 6181.9949 294.5384 3515.3495 6218.7679 296.8492 PRESSURE: 1069200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1069200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1069200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1069200 0 0 0 0 0 0 0 0 0 TIMING: 1069200 CPU: 4228.51, 0.00395069/step Wall: 4228.51, 0.00395068/step, 1.57018 hours remaining, 113.554688 MB of memory in use. ENERGY: 1069200 648.0684 1853.5091 1980.7860 108.3754 2.4664 -1102.6952 0.0000 0.0000 2752.1245 6242.6345 303.9798 3490.5101 6277.2173 298.4127 PRESSURE: 1069400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1069400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1069400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1069400 0 0 0 0 0 0 0 0 0 TIMING: 1069400 CPU: 4229.3, 0.00395103/step Wall: 4229.3, 0.00395103/step, 1.5701 hours remaining, 113.554688 MB of memory in use. ENERGY: 1069400 666.3055 1804.7142 1967.1575 113.5876 2.9901 -1067.7294 0.0000 0.0000 2791.3420 6278.3676 308.3115 3487.0256 6315.7282 303.5976 PRESSURE: 1069600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1069600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1069600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1069600 0 0 0 0 0 0 0 0 0 TIMING: 1069600 CPU: 4230.09, 0.00394997/step Wall: 4230.09, 0.00394997/step, 1.56945 hours remaining, 113.554688 MB of memory in use. ENERGY: 1069600 633.1140 1876.9265 1971.1807 106.5797 1.4037 -1084.6639 0.0000 0.0000 2729.4888 6234.0294 301.4796 3504.5406 6269.4240 301.5091 PRESSURE: 1069800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1069800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1069800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1069800 0 0 0 0 0 0 0 0 0 TIMING: 1069800 CPU: 4230.88, 0.0039475/step Wall: 4230.88, 0.0039475/step, 1.56826 hours remaining, 113.554688 MB of memory in use. ENERGY: 1069800 653.0601 1811.7540 1981.7837 128.6685 1.5314 -1047.4947 0.0000 0.0000 2673.2728 6202.5757 295.2704 3529.3029 6232.2281 299.4053 PRESSURE: 1070000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1070000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1070000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1070000 0 0 0 0 0 0 0 0 0 TIMING: 1070000 CPU: 4231.67, 0.00395103/step Wall: 4231.67, 0.00395103/step, 1.56943 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1070000 678.0469 1791.3804 1993.3221 115.1428 2.4978 -1081.5360 0.0000 0.0000 2744.3184 6243.1724 303.1176 3498.8541 6274.5095 299.7305 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1070000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1070000 WRITING COORDINATES TO RESTART FILE AT STEP 1070000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1070000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1070200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1070200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1070200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1070200 0 0 0 0 0 0 0 0 0 TIMING: 1070200 CPU: 4232.5, 0.00413231/step Wall: 4232.5, 0.00413231/step, 1.64122 hours remaining, 113.554688 MB of memory in use. ENERGY: 1070200 604.6665 1901.8060 1997.8160 119.1783 2.6976 -1099.0519 0.0000 0.0000 2692.8838 6219.9963 297.4365 3527.1125 6249.1512 300.3010 PRESSURE: 1070400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1070400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1070400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1070400 0 0 0 0 0 0 0 0 0 TIMING: 1070400 CPU: 4233.29, 0.00394982/step Wall: 4233.29, 0.00394982/step, 1.56852 hours remaining, 113.554688 MB of memory in use. ENERGY: 1070400 659.8633 1791.8465 1998.2989 103.4689 1.7070 -1068.3686 0.0000 0.0000 2723.8876 6210.7036 300.8610 3486.8160 6243.7361 299.7503 PRESSURE: 1070600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1070600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1070600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1070600 0 0 0 0 0 0 0 0 0 TIMING: 1070600 CPU: 4234.08, 0.0039495/step Wall: 4234.08, 0.0039495/step, 1.56817 hours remaining, 113.554688 MB of memory in use. ENERGY: 1070600 651.5301 1827.9172 2005.0510 108.9880 3.0919 -1065.0135 0.0000 0.0000 2725.7818 6257.3466 301.0702 3531.5648 6289.7326 299.3262 PRESSURE: 1070800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1070800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1070800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1070800 0 0 0 0 0 0 0 0 0 TIMING: 1070800 CPU: 4234.87, 0.00394738/step Wall: 4234.87, 0.00394738/step, 1.56711 hours remaining, 113.554688 MB of memory in use. ENERGY: 1070800 659.5685 1799.6627 2001.1841 112.9666 0.9471 -1060.8250 0.0000 0.0000 2714.2587 6227.7627 299.7974 3513.5040 6261.4701 301.0258 PRESSURE: 1071000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1071000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1071000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1071000 0 0 0 0 0 0 0 0 0 TIMING: 1071000 CPU: 4235.66, 0.00394785/step Wall: 4235.66, 0.00394785/step, 1.56708 hours remaining, 113.554688 MB of memory in use. ENERGY: 1071000 607.4576 1826.7308 1976.1580 96.5999 2.0931 -1029.9201 0.0000 0.0000 2721.2092 6200.3285 300.5651 3479.1193 6235.2201 299.0393 PRESSURE: 1071200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1071200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1071200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1071200 0 0 0 0 0 0 0 0 0 TIMING: 1071200 CPU: 4236.45, 0.0039476/step Wall: 4236.45, 0.0039476/step, 1.56676 hours remaining, 113.554688 MB of memory in use. ENERGY: 1071200 693.3356 1804.0489 1994.2645 121.4689 2.1958 -1094.8366 0.0000 0.0000 2706.1107 6226.5879 298.8975 3520.4772 6259.3569 298.7592 PRESSURE: 1071400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1071400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1071400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1071400 0 0 0 0 0 0 0 0 0 TIMING: 1071400 CPU: 4237.24, 0.00394853/step Wall: 4237.24, 0.00394853/step, 1.56691 hours remaining, 113.554688 MB of memory in use. ENERGY: 1071400 640.6825 1789.7446 1988.7454 108.8645 2.9734 -1036.2728 0.0000 0.0000 2731.2761 6226.0137 301.6771 3494.7376 6257.9415 298.7575 PRESSURE: 1071600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1071600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1071600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1071600 0 0 0 0 0 0 0 0 0 TIMING: 1071600 CPU: 4238.03, 0.00394827/step Wall: 4238.03, 0.00394827/step, 1.56659 hours remaining, 113.554688 MB of memory in use. ENERGY: 1071600 658.4137 1803.4472 1966.4026 107.6369 1.7829 -1066.0318 0.0000 0.0000 2696.6818 6168.3333 297.8560 3471.6515 6198.4964 297.9623 PRESSURE: 1071800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1071800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1071800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1071800 0 0 0 0 0 0 0 0 0 TIMING: 1071800 CPU: 4238.82, 0.00394732/step Wall: 4238.82, 0.00394732/step, 1.56599 hours remaining, 113.554688 MB of memory in use. ENERGY: 1071800 619.8418 1847.7027 1961.1783 112.0226 2.5597 -1067.3478 0.0000 0.0000 2698.7851 6174.7423 298.0883 3475.9572 6206.1166 295.9287 PRESSURE: 1072000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1072000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1072000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1072000 0 0 0 0 0 0 0 0 0 TIMING: 1072000 CPU: 4239.61, 0.0039485/step Wall: 4239.61, 0.0039485/step, 1.56624 hours remaining, 113.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1072000 674.7692 1857.7204 1974.1571 100.4428 3.1340 -1062.6972 0.0000 0.0000 2687.4355 6234.9619 296.8347 3547.5264 6266.0056 298.8531 PRESSURE: 1072200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1072200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1072200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1072200 0 0 0 0 0 0 0 0 0 TIMING: 1072200 CPU: 4240.4, 0.00394902/step Wall: 4240.4, 0.00394902/step, 1.56623 hours remaining, 113.554688 MB of memory in use. ENERGY: 1072200 642.6644 1875.6237 1987.5025 104.0845 3.1687 -1093.1391 0.0000 0.0000 2744.8098 6264.7144 303.1719 3519.9046 6300.0896 301.2079 LDB: ============= START OF LOAD BALANCING ============== 4243.35 LDB: ============== END OF LOAD BALANCING =============== 4243.35 LDB: =============== DONE WITH MIGRATION ================ 4243.36 LDB: ============= START OF LOAD BALANCING ============== 4243.75 LDB: ============== END OF LOAD BALANCING =============== 4243.75 LDB: =============== DONE WITH MIGRATION ================ 4243.75 PRESSURE: 1072400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1072400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1072400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1072400 0 0 0 0 0 0 0 0 0 TIMING: 1072400 CPU: 4241.19, 0.00395349/step Wall: 4241.19, 0.00395349/step, 1.56778 hours remaining, 113.554688 MB of memory in use. ENERGY: 1072400 691.7829 1841.9009 2011.2684 113.8739 3.2309 -1070.7153 0.0000 0.0000 2701.2452 6292.5869 298.3601 3591.3418 6325.2366 300.5965 PRESSURE: 1072600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1072600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1072600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1072600 0 0 0 0 0 0 0 0 0 TIMING: 1072600 CPU: 4241.98, 0.00394661/step Wall: 4241.98, 0.00394662/step, 1.56483 hours remaining, 113.554688 MB of memory in use. ENERGY: 1072600 659.7405 1855.3625 2008.6749 110.3189 2.2838 -1071.2204 0.0000 0.0000 2756.3167 6321.4769 304.4429 3565.1602 6353.7301 304.2701 PRESSURE: 1072800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1072800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1072800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1072800 0 0 0 0 0 0 0 0 0 TIMING: 1072800 CPU: 4242.77, 0.00396303/step Wall: 4242.77, 0.00396303/step, 1.57112 hours remaining, 113.554688 MB of memory in use. ENERGY: 1072800 665.1283 1811.6001 1976.0667 110.0647 1.7741 -1060.3941 0.0000 0.0000 2770.7072 6274.9469 306.0323 3504.2397 6310.7736 301.7628 PRESSURE: 1073000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1073000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1073000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1073000 0 0 0 0 0 0 0 0 0 TIMING: 1073000 CPU: 4243.56, 0.00395231/step Wall: 4243.56, 0.00395231/step, 1.56665 hours remaining, 113.554688 MB of memory in use. ENERGY: 1073000 658.9449 1859.0106 2008.4117 110.3422 1.7427 -1030.0116 0.0000 0.0000 2664.5873 6273.0278 294.3111 3608.4405 6303.3583 302.4614 PRESSURE: 1073200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1073200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1073200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1073200 0 0 0 0 0 0 0 0 0 TIMING: 1073200 CPU: 4244.35, 0.00395267/step Wall: 4244.35, 0.00395267/step, 1.56658 hours remaining, 113.554688 MB of memory in use. ENERGY: 1073200 664.6099 1833.6770 1976.5486 103.4444 1.5949 -1036.5349 0.0000 0.0000 2729.4842 6272.8240 301.4791 3543.3398 6304.4059 301.2257 PRESSURE: 1073400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1073400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1073400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1073400 0 0 0 0 0 0 0 0 0 TIMING: 1073400 CPU: 4245.14, 0.00394948/step Wall: 4245.14, 0.00394948/step, 1.56509 hours remaining, 113.554688 MB of memory in use. ENERGY: 1073400 677.9246 1807.0780 1974.9328 117.4416 0.2134 -1059.7424 0.0000 0.0000 2743.3757 6261.2237 303.0135 3517.8480 6297.6471 301.5307 PRESSURE: 1073600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1073600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1073600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1073600 0 0 0 0 0 0 0 0 0 TIMING: 1073600 CPU: 4245.93, 0.00394731/step Wall: 4245.93, 0.00394731/step, 1.56401 hours remaining, 113.554688 MB of memory in use. ENERGY: 1073600 668.7111 1872.8473 1986.0378 98.5042 1.0608 -1046.8876 0.0000 0.0000 2708.7611 6289.0348 299.1902 3580.2736 6322.9015 301.4300 PRESSURE: 1073800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1073800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1073800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1073800 0 0 0 0 0 0 0 0 0 TIMING: 1073800 CPU: 4246.72, 0.00395005/step Wall: 4246.72, 0.00395005/step, 1.56488 hours remaining, 113.554688 MB of memory in use. ENERGY: 1073800 623.0484 1798.5941 1965.9893 113.2831 2.4905 -1044.8235 0.0000 0.0000 2758.3108 6216.8927 304.6631 3458.5819 6249.9264 299.3537 PRESSURE: 1074000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1074000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1074000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1074000 0 0 0 0 0 0 0 0 0 TIMING: 1074000 CPU: 4247.51, 0.00396106/step Wall: 4247.51, 0.00396106/step, 1.56902 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1074000 644.4203 1827.5133 1996.5429 119.4393 2.7231 -1066.4700 0.0000 0.0000 2742.5721 6266.7409 302.9247 3524.1688 6302.2279 299.1968 PRESSURE: 1074200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1074200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1074200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1074200 0 0 0 0 0 0 0 0 0 TIMING: 1074200 CPU: 4248.31, 0.00399955/step Wall: 4248.31, 0.00399955/step, 1.58404 hours remaining, 113.675781 MB of memory in use. ENERGY: 1074200 643.6546 1850.7582 1985.7911 116.7636 0.7830 -1058.2495 0.0000 0.0000 2695.0383 6234.5393 297.6745 3539.5010 6267.8674 299.3505 PRESSURE: 1074400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1074400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1074400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1074400 0 0 0 0 0 0 0 0 0 TIMING: 1074400 CPU: 4249.1, 0.00395072/step Wall: 4249.1, 0.00395072/step, 1.56449 hours remaining, 113.675781 MB of memory in use. ENERGY: 1074400 671.3660 1869.1618 1992.3084 104.0791 0.4122 -1070.0778 0.0000 0.0000 2714.4276 6281.6773 299.8161 3567.2498 6312.2547 299.9653 PRESSURE: 1074600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1074600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1074600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1074600 0 0 0 0 0 0 0 0 0 TIMING: 1074600 CPU: 4249.89, 0.00394948/step Wall: 4249.89, 0.00394948/step, 1.56377 hours remaining, 113.675781 MB of memory in use. ENERGY: 1074600 644.8535 1872.2434 1989.9322 106.7306 -0.1048 -1081.5636 0.0000 0.0000 2709.1219 6241.2134 299.2301 3532.0915 6274.9737 300.7444 PRESSURE: 1074800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1074800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1074800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1074800 0 0 0 0 0 0 0 0 0 TIMING: 1074800 CPU: 4250.68, 0.00395006/step Wall: 4250.68, 0.00395006/step, 1.56378 hours remaining, 113.675781 MB of memory in use. ENERGY: 1074800 699.7059 1815.9323 1966.4268 119.8180 1.1785 -1078.7247 0.0000 0.0000 2685.8694 6210.2062 296.6618 3524.3367 6237.8437 299.6420 PRESSURE: 1075000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1075000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1075000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1075000 0 0 0 0 0 0 0 0 0 TIMING: 1075000 CPU: 4251.47, 0.0039522/step Wall: 4251.47, 0.0039522/step, 1.56441 hours remaining, 113.675781 MB of memory in use. ENERGY: 1075000 652.9584 1831.8161 1936.2831 115.3768 1.3042 -1019.2557 0.0000 0.0000 2703.7355 6222.2184 298.6351 3518.4829 6253.1947 297.9421 PRESSURE: 1075200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1075200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1075200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1075200 0 0 0 0 0 0 0 0 0 TIMING: 1075200 CPU: 4252.26, 0.00394987/step Wall: 4252.26, 0.00394987/step, 1.56327 hours remaining, 113.675781 MB of memory in use. ENERGY: 1075200 646.5150 1792.3280 1943.2650 108.5634 0.4360 -1049.2107 0.0000 0.0000 2759.3458 6201.2425 304.7774 3441.8968 6232.6846 297.7410 PRESSURE: 1075400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1075400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1075400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1075400 0 0 0 0 0 0 0 0 0 TIMING: 1075400 CPU: 4253.05, 0.00395005/step Wall: 4253.05, 0.00395005/step, 1.56312 hours remaining, 113.675781 MB of memory in use. ENERGY: 1075400 654.5247 1839.1268 1978.5301 112.2615 0.6349 -1059.6198 0.0000 0.0000 2650.9257 6176.3839 292.8021 3525.4582 6207.1179 296.8620 PRESSURE: 1075600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1075600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1075600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1075600 0 0 0 0 0 0 0 0 0 TIMING: 1075600 CPU: 4253.84, 0.00394742/step Wall: 4253.84, 0.00394742/step, 1.56186 hours remaining, 113.675781 MB of memory in use. ENERGY: 1075600 636.4573 1851.7867 1989.4727 103.5153 1.1647 -1096.7663 0.0000 0.0000 2677.8389 6163.4693 295.7748 3485.6304 6195.1838 296.7244 PRESSURE: 1075800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1075800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1075800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1075800 0 0 0 0 0 0 0 0 0 TIMING: 1075800 CPU: 4254.63, 0.00395091/step Wall: 4254.63, 0.00395091/step, 1.56302 hours remaining, 113.675781 MB of memory in use. ENERGY: 1075800 664.4237 1820.4278 1990.6848 107.7830 1.2095 -1073.4550 0.0000 0.0000 2702.0354 6213.1093 298.4473 3511.0739 6245.7036 297.2462 PRESSURE: 1076000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1076000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1076000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1076000 0 0 0 0 0 0 0 0 0 TIMING: 1076000 CPU: 4255.42, 0.00395088/step Wall: 4255.42, 0.00395088/step, 1.56279 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1076000 671.9794 1854.0448 1985.9008 111.5958 1.6473 -1102.0486 0.0000 0.0000 2690.6963 6213.8157 297.1949 3523.1195 6245.1538 300.1213 PRESSURE: 1076200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1076200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1076200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1076200 0 0 0 0 0 0 0 0 0 TIMING: 1076200 CPU: 4256.21, 0.00394923/step Wall: 4256.21, 0.00394923/step, 1.56192 hours remaining, 113.675781 MB of memory in use. ENERGY: 1076200 643.4657 1877.8512 1994.8953 102.4187 1.9765 -1082.4460 0.0000 0.0000 2736.4951 6274.6565 302.2535 3538.1613 6308.1408 300.5854 LDB: ============= START OF LOAD BALANCING ============== 4259.17 LDB: ============== END OF LOAD BALANCING =============== 4259.17 LDB: =============== DONE WITH MIGRATION ================ 4259.17 LDB: ============= START OF LOAD BALANCING ============== 4259.57 LDB: ============== END OF LOAD BALANCING =============== 4259.57 LDB: =============== DONE WITH MIGRATION ================ 4259.57 PRESSURE: 1076400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1076400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1076400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1076400 0 0 0 0 0 0 0 0 0 TIMING: 1076400 CPU: 4257, 0.00395227/step Wall: 4257, 0.00395227/step, 1.5629 hours remaining, 113.675781 MB of memory in use. ENERGY: 1076400 677.1657 1877.4854 1989.3793 109.0060 0.4561 -1089.7421 0.0000 0.0000 2721.4144 6285.1648 300.5878 3563.7504 6316.9751 301.8475 PRESSURE: 1076600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1076600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1076600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1076600 0 0 0 0 0 0 0 0 0 TIMING: 1076600 CPU: 4257.79, 0.00394966/step Wall: 4257.79, 0.00394966/step, 1.56165 hours remaining, 113.675781 MB of memory in use. ENERGY: 1076600 661.1362 1848.7882 1960.2889 110.6654 1.7261 -1101.9738 0.0000 0.0000 2766.2527 6246.8837 305.5403 3480.6310 6281.2008 302.6819 PRESSURE: 1076800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1076800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1076800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1076800 0 0 0 0 0 0 0 0 0 TIMING: 1076800 CPU: 4258.58, 0.00396347/step Wall: 4258.58, 0.00396347/step, 1.56689 hours remaining, 113.675781 MB of memory in use. ENERGY: 1076800 634.9434 1843.5741 1984.8836 109.8034 1.6524 -1119.7016 0.0000 0.0000 2727.9061 6183.0613 301.3048 3455.1552 6218.1407 300.6593 PRESSURE: 1077000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1077000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1077000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1077000 0 0 0 0 0 0 0 0 0 TIMING: 1077000 CPU: 4259.37, 0.00395/step Wall: 4259.37, 0.00395/step, 1.56135 hours remaining, 113.675781 MB of memory in use. ENERGY: 1077000 640.8967 1850.4719 1996.6606 107.2279 0.7767 -1080.6764 0.0000 0.0000 2678.8243 6194.1817 295.8836 3515.3573 6223.8005 296.6629 PRESSURE: 1077200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1077200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1077200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1077200 0 0 0 0 0 0 0 0 0 TIMING: 1077200 CPU: 4260.16, 0.00395008/step Wall: 4260.16, 0.00395008/step, 1.56116 hours remaining, 113.675781 MB of memory in use. ENERGY: 1077200 635.4271 1803.3934 1973.7402 112.2757 1.7360 -1076.6858 0.0000 0.0000 2694.0809 6143.9674 297.5687 3449.8865 6175.6037 297.1462 PRESSURE: 1077400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1077400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1077400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1077400 0 0 0 0 0 0 0 0 0 TIMING: 1077400 CPU: 4260.95, 0.00394868/step Wall: 4260.95, 0.00394868/step, 1.56039 hours remaining, 113.675781 MB of memory in use. ENERGY: 1077400 659.5420 1795.9143 1979.0299 115.0945 0.6033 -1081.6513 0.0000 0.0000 2709.6489 6178.1815 299.2883 3468.5326 6209.2424 295.5749 PRESSURE: 1077600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1077600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1077600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1077600 0 0 0 0 0 0 0 0 0 TIMING: 1077600 CPU: 4261.74, 0.00395086/step Wall: 4261.74, 0.00395086/step, 1.56103 hours remaining, 113.675781 MB of memory in use. ENERGY: 1077600 647.8480 1816.7000 1971.9040 103.9595 2.0272 -1065.3720 0.0000 0.0000 2725.0478 6202.1146 300.9891 3477.0668 6233.6839 295.8400 PRESSURE: 1077800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1077800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1077800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1077800 0 0 0 0 0 0 0 0 0 TIMING: 1077800 CPU: 4262.53, 0.003951/step Wall: 4262.53, 0.003951/step, 1.56087 hours remaining, 113.675781 MB of memory in use. ENERGY: 1077800 662.9420 1847.9423 1975.6727 103.0246 2.2853 -1117.5498 0.0000 0.0000 2691.6216 6165.9387 297.2971 3474.3171 6198.2982 297.0826 PRESSURE: 1078000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1078000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1078000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1078000 0 0 0 0 0 0 0 0 0 TIMING: 1078000 CPU: 4263.32, 0.00395079/step Wall: 4263.32, 0.00395079/step, 1.56056 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1078000 651.9407 1834.9787 2024.2373 102.8981 2.2353 -1115.7376 0.0000 0.0000 2710.0250 6210.5777 299.3298 3500.5527 6245.3106 297.6286 PRESSURE: 1078200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1078200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1078200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1078200 0 0 0 0 0 0 0 0 0 TIMING: 1078200 CPU: 4264.11, 0.00394872/step Wall: 4264.11, 0.00394872/step, 1.55953 hours remaining, 113.675781 MB of memory in use. ENERGY: 1078200 694.2654 1805.7218 2029.1453 105.0476 1.3229 -1073.3930 0.0000 0.0000 2652.8298 6214.9398 293.0124 3562.1100 6248.0355 298.4926 PRESSURE: 1078400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1078400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1078400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1078400 0 0 0 0 0 0 0 0 0 TIMING: 1078400 CPU: 4264.9, 0.00394804/step Wall: 4264.9, 0.00394804/step, 1.55904 hours remaining, 113.675781 MB of memory in use. ENERGY: 1078400 668.3769 1794.0913 2007.3331 109.0387 1.6132 -1086.4697 0.0000 0.0000 2717.7762 6211.7598 300.1860 3493.9835 6245.9736 297.8018 PRESSURE: 1078600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1078600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1078600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1078600 0 0 0 0 0 0 0 0 0 TIMING: 1078600 CPU: 4265.69, 0.00394885/step Wall: 4265.69, 0.00394885/step, 1.55914 hours remaining, 113.675781 MB of memory in use. ENERGY: 1078600 655.1515 1832.8885 1991.5051 107.5404 1.5536 -1046.9493 0.0000 0.0000 2679.2059 6220.8956 295.9258 3541.6897 6252.0612 297.3912 PRESSURE: 1078800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1078800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1078800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1078800 0 0 0 0 0 0 0 0 0 TIMING: 1078800 CPU: 4266.79, 0.00549195/step Wall: 4266.79, 0.00549195/step, 2.1681 hours remaining, 113.675781 MB of memory in use. ENERGY: 1078800 671.6441 1859.8212 2010.5855 109.6446 0.5785 -1074.0777 0.0000 0.0000 2682.7349 6260.9311 296.3155 3578.1962 6291.0390 299.3462 PRESSURE: 1079000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1079000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1079000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1079000 0 0 0 0 0 0 0 0 0 TIMING: 1079000 CPU: 4267.59, 0.00397405/step Wall: 4267.59, 0.00397405/step, 1.56865 hours remaining, 113.675781 MB of memory in use. ENERGY: 1079000 666.5376 1828.3028 2006.5601 109.2380 1.8396 -1048.3804 0.0000 0.0000 2684.1682 6248.2659 296.4739 3564.0977 6278.6787 301.2399 PRESSURE: 1079200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1079200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1079200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1079200 0 0 0 0 0 0 0 0 0 TIMING: 1079200 CPU: 4268.38, 0.00394961/step Wall: 4268.38, 0.00394961/step, 1.55878 hours remaining, 113.675781 MB of memory in use. ENERGY: 1079200 652.9636 1815.6680 1988.6152 112.1488 1.9128 -1019.8220 0.0000 0.0000 2689.0133 6240.4997 297.0090 3551.4865 6271.4345 299.8770 PRESSURE: 1079400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1079400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1079400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1079400 0 0 0 0 0 0 0 0 0 TIMING: 1079400 CPU: 4269.17, 0.00394967/step Wall: 4269.17, 0.00394967/step, 1.55858 hours remaining, 113.675781 MB of memory in use. ENERGY: 1079400 624.7163 1835.8807 1997.8892 113.2557 1.3974 -1091.4068 0.0000 0.0000 2745.2687 6227.0012 303.2226 3481.7325 6259.8735 300.2935 PRESSURE: 1079600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1079600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1079600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1079600 0 0 0 0 0 0 0 0 0 TIMING: 1079600 CPU: 4269.96, 0.00394814/step Wall: 4269.96, 0.00394814/step, 1.55776 hours remaining, 113.675781 MB of memory in use. ENERGY: 1079600 655.1917 1806.9562 1980.4138 103.0333 2.4178 -1027.9495 0.0000 0.0000 2744.6863 6264.7496 303.1582 3520.0633 6297.0858 299.7963 PRESSURE: 1079800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1079800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1079800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1079800 0 0 0 0 0 0 0 0 0 TIMING: 1079800 CPU: 4270.75, 0.00394935/step Wall: 4270.75, 0.00394935/step, 1.55802 hours remaining, 113.675781 MB of memory in use. ENERGY: 1079800 647.2525 1855.1950 2009.5342 104.9465 1.8517 -1075.0304 0.0000 0.0000 2685.0932 6228.8426 296.5760 3543.7495 6259.5531 299.2028 PRESSURE: 1080000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1080000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1080000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1080000 0 0 0 0 0 0 0 0 0 TIMING: 1080000 CPU: 4271.54, 0.00395035/step Wall: 4271.54, 0.00395035/step, 1.55819 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1080000 662.3178 1808.9495 1975.2590 108.2065 2.8146 -1070.6417 0.0000 0.0000 2694.7779 6181.6837 297.6457 3486.9058 6213.0421 299.7253 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1080000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1080000 WRITING COORDINATES TO RESTART FILE AT STEP 1080000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1080000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1080200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1080200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1080200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1080200 0 0 0 0 0 0 0 0 0 TIMING: 1080200 CPU: 4272.38, 0.004213/step Wall: 4272.38, 0.004213/step, 1.66156 hours remaining, 113.675781 MB of memory in use. ENERGY: 1080200 652.8919 1805.9448 1994.9300 108.0777 1.1402 -1089.0863 0.0000 0.0000 2677.7321 6151.6304 295.7630 3473.8983 6186.2458 297.8403 LDB: ============= START OF LOAD BALANCING ============== 4275.34 LDB: ============== END OF LOAD BALANCING =============== 4275.34 LDB: =============== DONE WITH MIGRATION ================ 4275.34 LDB: ============= START OF LOAD BALANCING ============== 4275.73 LDB: ============== END OF LOAD BALANCING =============== 4275.73 LDB: =============== DONE WITH MIGRATION ================ 4275.73 PRESSURE: 1080400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1080400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1080400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1080400 0 0 0 0 0 0 0 0 0 TIMING: 1080400 CPU: 4273.17, 0.00395619/step Wall: 4273.17, 0.00395619/step, 1.56006 hours remaining, 113.675781 MB of memory in use. ENERGY: 1080400 658.3998 1864.1606 2008.6632 114.2005 2.8851 -1081.7386 0.0000 0.0000 2639.4791 6206.0497 291.5378 3566.5706 6238.6819 297.3360 PRESSURE: 1080600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1080600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1080600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1080600 0 0 0 0 0 0 0 0 0 TIMING: 1080600 CPU: 4273.96, 0.00394827/step Wall: 4273.96, 0.00394827/step, 1.55672 hours remaining, 113.675781 MB of memory in use. ENERGY: 1080600 677.0554 1798.5404 1980.5648 104.5948 2.3842 -1069.2368 0.0000 0.0000 2729.8058 6223.7086 301.5147 3493.9028 6257.3652 298.8235 PRESSURE: 1080800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1080800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1080800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1080800 0 0 0 0 0 0 0 0 0 TIMING: 1080800 CPU: 4274.75, 0.00395213/step Wall: 4274.75, 0.00395213/step, 1.55802 hours remaining, 113.675781 MB of memory in use. ENERGY: 1080800 641.8005 1829.6429 1987.2824 98.2513 1.5041 -1070.2315 0.0000 0.0000 2700.8289 6189.0786 298.3141 3488.2497 6222.1134 298.1017 PRESSURE: 1081000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1081000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1081000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1081000 0 0 0 0 0 0 0 0 0 TIMING: 1081000 CPU: 4275.54, 0.00395164/step Wall: 4275.54, 0.00395164/step, 1.55761 hours remaining, 113.675781 MB of memory in use. ENERGY: 1081000 625.4688 1807.8342 1993.6564 100.6440 1.7070 -1062.4754 0.0000 0.0000 2674.7561 6141.5911 295.4343 3466.8351 6174.4710 296.2896 PRESSURE: 1081200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1081200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1081200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1081200 0 0 0 0 0 0 0 0 0 TIMING: 1081200 CPU: 4276.33, 0.00395136/step Wall: 4276.33, 0.00395136/step, 1.55727 hours remaining, 113.675781 MB of memory in use. ENERGY: 1081200 643.0854 1834.8737 1965.8414 113.0356 3.4184 -1096.8372 0.0000 0.0000 2692.0998 6155.5171 297.3499 3463.4173 6184.2207 294.5758 PRESSURE: 1081400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1081400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1081400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1081400 0 0 0 0 0 0 0 0 0 TIMING: 1081400 CPU: 4277.12, 0.00395315/step Wall: 4277.12, 0.00395315/step, 1.55776 hours remaining, 113.675781 MB of memory in use. ENERGY: 1081400 647.2173 1834.3298 1996.5162 111.2011 1.5213 -1102.6297 0.0000 0.0000 2691.4854 6179.6415 297.2821 3488.1561 6210.7894 297.2299 PRESSURE: 1081600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1081600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1081600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1081600 0 0 0 0 0 0 0 0 0 TIMING: 1081600 CPU: 4277.91, 0.00394868/step Wall: 4277.91, 0.00394868/step, 1.55578 hours remaining, 113.675781 MB of memory in use. ENERGY: 1081600 665.1362 1857.4975 2014.9797 102.5721 2.9101 -1102.2959 0.0000 0.0000 2644.4493 6185.2491 292.0868 3540.7998 6219.3245 295.7260 PRESSURE: 1081800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1081800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1081800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1081800 0 0 0 0 0 0 0 0 0 TIMING: 1081800 CPU: 4278.7, 0.00395111/step Wall: 4278.7, 0.00395111/step, 1.55652 hours remaining, 113.675781 MB of memory in use. ENERGY: 1081800 645.5375 1874.9165 1963.9609 116.7114 2.5171 -1081.7638 0.0000 0.0000 2690.2779 6212.1577 297.1487 3521.8798 6242.9063 298.1770 PRESSURE: 1082000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1082000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1082000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1082000 0 0 0 0 0 0 0 0 0 TIMING: 1082000 CPU: 4279.49, 0.00395389/step Wall: 4279.49, 0.00395389/step, 1.55739 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1082000 637.8659 1886.2279 1981.3827 109.4129 3.6328 -1055.8663 0.0000 0.0000 2687.7293 6250.3851 296.8672 3562.6558 6281.9885 299.9680 PRESSURE: 1082200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1082200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1082200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1082200 0 0 0 0 0 0 0 0 0 TIMING: 1082200 CPU: 4280.28, 0.00395183/step Wall: 4280.28, 0.00395183/step, 1.55636 hours remaining, 113.675781 MB of memory in use. ENERGY: 1082200 642.8698 1857.9037 2018.1202 111.6917 2.3798 -1086.3776 0.0000 0.0000 2681.0396 6227.6272 296.1283 3546.5876 6260.4467 301.0501 PRESSURE: 1082400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1082400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1082400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1082400 0 0 0 0 0 0 0 0 0 TIMING: 1082400 CPU: 4281.07, 0.00394878/step Wall: 4281.07, 0.00394878/step, 1.55494 hours remaining, 113.675781 MB of memory in use. ENERGY: 1082400 612.1697 1835.6121 2006.7283 115.8559 0.8211 -1056.7322 0.0000 0.0000 2701.0475 6215.5024 298.3382 3514.4549 6248.9731 299.1431 PRESSURE: 1082600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1082600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1082600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1082600 0 0 0 0 0 0 0 0 0 TIMING: 1082600 CPU: 4281.86, 0.00395151/step Wall: 4281.86, 0.00395151/step, 1.5558 hours remaining, 113.675781 MB of memory in use. ENERGY: 1082600 640.0413 1816.9073 1991.6554 113.7967 2.3759 -1064.5717 0.0000 0.0000 2683.7748 6183.9797 296.4304 3500.2048 6218.1719 297.7425 PRESSURE: 1082800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1082800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1082800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1082800 0 0 0 0 0 0 0 0 0 TIMING: 1082800 CPU: 4282.65, 0.00395267/step Wall: 4282.65, 0.00395267/step, 1.55604 hours remaining, 113.675781 MB of memory in use. ENERGY: 1082800 645.0266 1828.0333 1968.4661 95.4935 1.3712 -1046.6518 0.0000 0.0000 2711.2375 6202.9765 299.4637 3491.7390 6235.0840 296.5228 PRESSURE: 1083000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1083000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1083000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1083000 0 0 0 0 0 0 0 0 0 TIMING: 1083000 CPU: 4283.44, 0.00395388/step Wall: 4283.44, 0.00395388/step, 1.55629 hours remaining, 113.675781 MB of memory in use. ENERGY: 1083000 663.3653 1804.0576 1971.8964 109.2890 1.4163 -1105.6556 0.0000 0.0000 2720.4922 6164.8612 300.4859 3444.3690 6199.3633 299.3491 PRESSURE: 1083200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1083200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1083200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1083200 0 0 0 0 0 0 0 0 0 TIMING: 1083200 CPU: 4284.23, 0.00395326/step Wall: 4284.23, 0.00395326/step, 1.55583 hours remaining, 113.675781 MB of memory in use. ENERGY: 1083200 596.8604 1835.6684 1983.0714 118.5432 1.8673 -1085.0138 0.0000 0.0000 2702.3962 6153.3932 298.4872 3450.9970 6188.9690 298.3451 PRESSURE: 1083400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1083400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1083400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1083400 0 0 0 0 0 0 0 0 0 TIMING: 1083400 CPU: 4285.02, 0.00395013/step Wall: 4285.02, 0.00395013/step, 1.55438 hours remaining, 113.675781 MB of memory in use. ENERGY: 1083400 673.5249 1800.2094 1988.5382 97.0325 1.6518 -1084.0048 0.0000 0.0000 2667.5742 6144.5263 294.6410 3476.9521 6176.6796 293.4930 PRESSURE: 1083600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1083600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1083600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1083600 0 0 0 0 0 0 0 0 0 TIMING: 1083600 CPU: 4285.82, 0.00395273/step Wall: 4285.82, 0.00395273/step, 1.55518 hours remaining, 113.675781 MB of memory in use. ENERGY: 1083600 640.8017 1812.1238 1984.7435 104.9507 2.4403 -1054.6969 0.0000 0.0000 2667.9086 6158.2717 294.6779 3490.3631 6190.9249 294.7786 PRESSURE: 1083800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1083800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1083800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1083800 0 0 0 0 0 0 0 0 0 TIMING: 1083800 CPU: 4286.61, 0.00394961/step Wall: 4286.61, 0.00394961/step, 1.55373 hours remaining, 113.675781 MB of memory in use. ENERGY: 1083800 652.8070 1858.6006 2005.2505 121.4947 2.2673 -1069.5488 0.0000 0.0000 2701.3290 6272.2002 298.3693 3570.8712 6304.5121 298.1212 PRESSURE: 1084000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1084000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1084000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1084000 0 0 0 0 0 0 0 0 0 TIMING: 1084000 CPU: 4287.39, 0.00394976/step Wall: 4287.39, 0.00394976/step, 1.55357 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1084000 665.4727 1778.6685 2001.0351 108.3560 1.7609 -1074.4948 0.0000 0.0000 2740.6088 6221.4073 302.7079 3480.7985 6255.9657 300.3665 PRESSURE: 1084200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1084200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1084200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1084200 0 0 0 0 0 0 0 0 0 TIMING: 1084200 CPU: 4288.19, 0.00395272/step Wall: 4288.19, 0.00395272/step, 1.55452 hours remaining, 113.675781 MB of memory in use. ENERGY: 1084200 637.2121 1835.8680 1983.0284 114.0361 2.4993 -1079.9318 0.0000 0.0000 2729.2462 6221.9583 301.4528 3492.7121 6255.9719 299.1229 LDB: ============= START OF LOAD BALANCING ============== 4291.14 LDB: ============== END OF LOAD BALANCING =============== 4291.14 LDB: =============== DONE WITH MIGRATION ================ 4291.15 LDB: ============= START OF LOAD BALANCING ============== 4291.54 LDB: ============== END OF LOAD BALANCING =============== 4291.54 LDB: =============== DONE WITH MIGRATION ================ 4291.54 PRESSURE: 1084400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1084400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1084400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1084400 0 0 0 0 0 0 0 0 0 TIMING: 1084400 CPU: 4288.98, 0.0039546/step Wall: 4288.98, 0.0039546/step, 1.55503 hours remaining, 113.675781 MB of memory in use. ENERGY: 1084400 614.2177 1832.1608 2013.9391 122.0757 1.6613 -1098.8313 0.0000 0.0000 2685.5635 6170.7866 296.6280 3485.2231 6204.0709 299.8027 PRESSURE: 1084600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1084600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1084600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1084600 0 0 0 0 0 0 0 0 0 TIMING: 1084600 CPU: 4289.77, 0.00395284/step Wall: 4289.77, 0.00395283/step, 1.55412 hours remaining, 113.675781 MB of memory in use. ENERGY: 1084600 652.0924 1863.6774 1998.2521 110.6961 0.7716 -1120.8712 0.0000 0.0000 2638.3571 6142.9755 291.4139 3504.6184 6176.6732 298.0185 PRESSURE: 1084800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1084800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1084800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1084800 0 0 0 0 0 0 0 0 0 TIMING: 1084800 CPU: 4290.56, 0.00395215/step Wall: 4290.56, 0.00395216/step, 1.55364 hours remaining, 113.675781 MB of memory in use. ENERGY: 1084800 653.6560 1869.0524 2005.7518 102.2845 1.6798 -1104.1971 0.0000 0.0000 2625.4607 6153.6881 289.9895 3528.2274 6184.7159 295.9026 PRESSURE: 1085000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1085000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1085000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1085000 0 0 0 0 0 0 0 0 0 TIMING: 1085000 CPU: 4291.35, 0.00395211/step Wall: 4291.35, 0.00395211/step, 1.5534 hours remaining, 113.675781 MB of memory in use. ENERGY: 1085000 616.3045 1855.9533 1968.9900 109.0243 3.1902 -1100.3917 0.0000 0.0000 2656.9581 6110.0288 293.4684 3453.0707 6143.0181 294.0646 PRESSURE: 1085200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1085200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1085200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1085200 0 0 0 0 0 0 0 0 0 TIMING: 1085200 CPU: 4292.14, 0.00395247/step Wall: 4292.14, 0.00395247/step, 1.55332 hours remaining, 113.675781 MB of memory in use. ENERGY: 1085200 659.1442 1805.7520 1988.2996 111.7394 2.0652 -1113.2674 0.0000 0.0000 2657.2020 6110.9350 293.4954 3453.7329 6145.8962 293.8980 PRESSURE: 1085400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1085400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1085400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1085400 0 0 0 0 0 0 0 0 0 TIMING: 1085400 CPU: 4292.93, 0.0039492/step Wall: 4292.93, 0.0039492/step, 1.55182 hours remaining, 113.675781 MB of memory in use. ENERGY: 1085400 654.5966 1828.8688 1956.7898 111.5624 2.0879 -1087.0748 0.0000 0.0000 2720.3317 6187.1623 300.4682 3466.8307 6220.7631 296.1718 PRESSURE: 1085600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1085600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1085600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1085600 0 0 0 0 0 0 0 0 0 TIMING: 1085600 CPU: 4293.72, 0.00395313/step Wall: 4293.72, 0.00395313/step, 1.55314 hours remaining, 113.675781 MB of memory in use. ENERGY: 1085600 663.2317 1825.1063 1973.9438 102.3730 2.6654 -1067.9593 0.0000 0.0000 2718.6254 6217.9864 300.2798 3499.3609 6249.5703 298.1108 PRESSURE: 1085800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1085800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1085800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1085800 0 0 0 0 0 0 0 0 0 TIMING: 1085800 CPU: 4294.51, 0.00395172/step Wall: 4294.51, 0.00395172/step, 1.55237 hours remaining, 113.675781 MB of memory in use. ENERGY: 1085800 639.0921 1858.0266 2001.4256 106.3911 1.8886 -1062.9710 0.0000 0.0000 2679.1006 6222.9537 295.9141 3543.8531 6255.6006 299.6364 PRESSURE: 1086000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1086000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1086000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1086000 0 0 0 0 0 0 0 0 0 TIMING: 1086000 CPU: 4295.3, 0.00395313/step Wall: 4295.3, 0.00395313/step, 1.5527 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1086000 627.9846 1898.5003 1967.2872 105.2306 3.5687 -1056.1463 0.0000 0.0000 2676.5917 6223.0167 295.6370 3546.4250 6252.8681 297.9702 PRESSURE: 1086200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1086200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1086200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1086200 0 0 0 0 0 0 0 0 0 TIMING: 1086200 CPU: 4296.09, 0.00394917/step Wall: 4296.09, 0.00394917/step, 1.55093 hours remaining, 113.675781 MB of memory in use. ENERGY: 1086200 669.1271 1816.6594 1996.5022 109.6916 1.3837 -1065.0410 0.0000 0.0000 2707.5783 6235.9014 299.0596 3528.3231 6267.3306 298.0964 PRESSURE: 1086400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1086400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1086400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1086400 0 0 0 0 0 0 0 0 0 TIMING: 1086400 CPU: 4296.88, 0.00395057/step Wall: 4296.88, 0.00395057/step, 1.55126 hours remaining, 113.675781 MB of memory in use. ENERGY: 1086400 657.6115 1922.9929 1991.8397 101.8181 0.7615 -1088.2134 0.0000 0.0000 2707.1591 6293.9693 299.0133 3586.8102 6324.8264 301.2852 PRESSURE: 1086600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1086600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1086600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1086600 0 0 0 0 0 0 0 0 0 TIMING: 1086600 CPU: 4297.67, 0.00395064/step Wall: 4297.67, 0.00395064/step, 1.55106 hours remaining, 113.675781 MB of memory in use. ENERGY: 1086600 652.5058 1857.3493 2005.5141 111.8284 0.9320 -1064.5710 0.0000 0.0000 2714.7614 6278.3201 299.8530 3563.5586 6310.5912 303.2883 PRESSURE: 1086800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1086800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1086800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1086800 0 0 0 0 0 0 0 0 0 TIMING: 1086800 CPU: 4298.46, 0.00396212/step Wall: 4298.46, 0.00396212/step, 1.55535 hours remaining, 113.675781 MB of memory in use. ENERGY: 1086800 629.3215 1832.0652 2012.9758 102.6187 1.0745 -1043.2912 0.0000 0.0000 2688.2421 6223.0067 296.9238 3534.7646 6254.3020 301.1176 PRESSURE: 1087000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1087000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1087000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1087000 0 0 0 0 0 0 0 0 0 TIMING: 1087000 CPU: 4299.25, 0.0039516/step Wall: 4299.25, 0.0039516/step, 1.551 hours remaining, 113.675781 MB of memory in use. ENERGY: 1087000 647.5837 1825.9315 1988.8604 100.3325 1.6195 -1052.7724 0.0000 0.0000 2692.8965 6204.4516 297.4379 3511.5552 6235.8956 298.1709 PRESSURE: 1087200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1087200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1087200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1087200 0 0 0 0 0 0 0 0 0 TIMING: 1087200 CPU: 4300.04, 0.00395002/step Wall: 4300.04, 0.00395002/step, 1.55017 hours remaining, 113.675781 MB of memory in use. ENERGY: 1087200 655.0784 1824.0816 2003.3381 97.0125 1.4113 -1106.3002 0.0000 0.0000 2732.4264 6207.0482 301.8041 3474.6218 6239.2393 298.3585 PRESSURE: 1087400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1087400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1087400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1087400 0 0 0 0 0 0 0 0 0 TIMING: 1087400 CPU: 4300.83, 0.00395081/step Wall: 4300.83, 0.00395081/step, 1.55026 hours remaining, 113.675781 MB of memory in use. ENERGY: 1087400 655.9423 1841.9303 1989.5615 118.1669 1.8813 -1108.0974 0.0000 0.0000 2740.0776 6239.4625 302.6492 3499.3848 6272.3580 298.7561 PRESSURE: 1087600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1087600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1087600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1087600 0 0 0 0 0 0 0 0 0 TIMING: 1087600 CPU: 4301.62, 0.00395162/step Wall: 4301.62, 0.00395162/step, 1.55035 hours remaining, 113.675781 MB of memory in use. ENERGY: 1087600 643.6738 1849.2061 2012.6244 118.2655 2.0536 -1108.1799 0.0000 0.0000 2738.6148 6256.2583 302.4876 3517.6435 6290.9570 301.8579 PRESSURE: 1087800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1087800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1087800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1087800 0 0 0 0 0 0 0 0 0 TIMING: 1087800 CPU: 4302.41, 0.00395017/step Wall: 4302.41, 0.00395017/step, 1.54956 hours remaining, 113.675781 MB of memory in use. ENERGY: 1087800 656.1171 1831.8847 2022.7736 107.6429 1.2115 -1080.5075 0.0000 0.0000 2715.3639 6254.4861 299.9195 3539.1223 6288.8572 300.3939 PRESSURE: 1088000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1088000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1088000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1088000 0 0 0 0 0 0 0 0 0 TIMING: 1088000 CPU: 4303.21, 0.0039599/step Wall: 4303.21, 0.0039599/step, 1.55316 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1088000 645.1995 1871.4331 1965.9047 105.8804 2.0155 -1074.1639 0.0000 0.0000 2731.1451 6247.4144 301.6626 3516.2694 6280.7376 299.5956 PRESSURE: 1088200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1088200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1088200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1088200 0 0 0 0 0 0 0 0 0 TIMING: 1088200 CPU: 4304, 0.0039495/step Wall: 4304, 0.0039495/step, 1.54886 hours remaining, 113.675781 MB of memory in use. ENERGY: 1088200 675.4807 1819.8691 1957.8834 109.0988 3.4029 -1083.4968 0.0000 0.0000 2707.0334 6189.2716 298.9994 3482.2382 6221.8265 299.5608 LDB: ============= START OF LOAD BALANCING ============== 4306.95 LDB: ============== END OF LOAD BALANCING =============== 4306.95 LDB: =============== DONE WITH MIGRATION ================ 4306.95 LDB: ============= START OF LOAD BALANCING ============== 4307.35 LDB: ============== END OF LOAD BALANCING =============== 4307.35 LDB: =============== DONE WITH MIGRATION ================ 4307.35 PRESSURE: 1088400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1088400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1088400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1088400 0 0 0 0 0 0 0 0 0 TIMING: 1088400 CPU: 4304.79, 0.00395396/step Wall: 4304.79, 0.00395396/step, 1.55039 hours remaining, 113.675781 MB of memory in use. ENERGY: 1088400 643.0064 1802.6528 1989.3270 111.1854 1.7011 -1061.4678 0.0000 0.0000 2695.4860 6181.8909 297.7239 3486.4049 6214.9772 295.4028 PRESSURE: 1088600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1088600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1088600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1088600 0 0 0 0 0 0 0 0 0 TIMING: 1088600 CPU: 4305.58, 0.00394863/step Wall: 4305.58, 0.00394863/step, 1.54808 hours remaining, 113.675781 MB of memory in use. ENERGY: 1088600 605.7146 1869.0835 1992.7705 107.0054 1.1234 -1056.3132 0.0000 0.0000 2670.7042 6190.0885 294.9867 3519.3843 6222.7842 296.5409 PRESSURE: 1088800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1088800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1088800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1088800 0 0 0 0 0 0 0 0 0 TIMING: 1088800 CPU: 4306.37, 0.00395271/step Wall: 4306.37, 0.00395271/step, 1.54946 hours remaining, 113.675781 MB of memory in use. ENERGY: 1088800 638.9414 1763.1299 1972.9675 114.9050 0.9837 -1076.7595 0.0000 0.0000 2718.2031 6132.3712 300.2331 3414.1681 6164.3687 295.8957 PRESSURE: 1089000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1089000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1089000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1089000 0 0 0 0 0 0 0 0 0 TIMING: 1089000 CPU: 4307.16, 0.00395252/step Wall: 4307.16, 0.00395252/step, 1.54917 hours remaining, 113.675781 MB of memory in use. ENERGY: 1089000 644.1284 1832.3049 1970.7444 113.6664 0.5318 -1069.9803 0.0000 0.0000 2658.0195 6149.4150 293.5857 3491.3956 6184.5130 293.4690 PRESSURE: 1089200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1089200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1089200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1089200 0 0 0 0 0 0 0 0 0 TIMING: 1089200 CPU: 4307.95, 0.00394543/step Wall: 4307.95, 0.00394543/step, 1.54617 hours remaining, 113.675781 MB of memory in use. ENERGY: 1089200 628.3510 1805.2822 1999.0544 93.5458 0.2748 -1076.9254 0.0000 0.0000 2698.1087 6147.6915 298.0136 3449.5828 6181.9423 294.2519 PRESSURE: 1089400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1089400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1089400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1089400 0 0 0 0 0 0 0 0 0 TIMING: 1089400 CPU: 4308.74, 0.00395054/step Wall: 4308.74, 0.00395054/step, 1.54795 hours remaining, 113.675781 MB of memory in use. ENERGY: 1089400 682.2305 1829.5532 1990.1033 88.7817 1.1760 -1071.3397 0.0000 0.0000 2662.6133 6183.1183 294.0931 3520.5050 6214.6547 295.1138 PRESSURE: 1089600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1089600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1089600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1089600 0 0 0 0 0 0 0 0 0 TIMING: 1089600 CPU: 4309.53, 0.00395125/step Wall: 4309.53, 0.00395125/step, 1.54801 hours remaining, 113.675781 MB of memory in use. ENERGY: 1089600 639.2969 1848.7340 1971.0983 108.0783 0.4889 -1048.0906 0.0000 0.0000 2699.0144 6218.6202 298.1137 3519.6058 6251.6617 297.0564 PRESSURE: 1089800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1089800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1089800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1089800 0 0 0 0 0 0 0 0 0 TIMING: 1089800 CPU: 4310.32, 0.00395186/step Wall: 4310.32, 0.00395186/step, 1.54803 hours remaining, 113.675781 MB of memory in use. ENERGY: 1089800 677.2291 1832.2798 1992.1241 110.4320 2.1729 -1083.7765 0.0000 0.0000 2651.4594 6181.9208 292.8611 3530.4614 6211.7403 298.0022 PRESSURE: 1090000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1090000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1090000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1090000 0 0 0 0 0 0 0 0 0 TIMING: 1090000 CPU: 4311.11, 0.00394921/step Wall: 4311.11, 0.00394922/step, 1.54678 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1090000 653.6525 1819.0938 1983.3771 105.0142 1.8041 -1059.7543 0.0000 0.0000 2659.6240 6162.8115 293.7629 3503.1874 6195.3054 298.2249 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1090000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1090000 WRITING COORDINATES TO RESTART FILE AT STEP 1090000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1090000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1090200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1090200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1090200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1090200 0 0 0 0 0 0 0 0 0 TIMING: 1090200 CPU: 4318.34, 0.0361514/step Wall: 4318.34, 0.0361514/step, 14.1573 hours remaining, 113.675781 MB of memory in use. ENERGY: 1090200 651.1462 1820.6652 2013.6797 117.8444 1.6666 -1081.7833 0.0000 0.0000 2700.9781 6224.1970 298.3306 3523.2189 6262.0768 297.4966 PRESSURE: 1090400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1090400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1090400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1090400 0 0 0 0 0 0 0 0 0 TIMING: 1090400 CPU: 4319.13, 0.00394893/step Wall: 4319.13, 0.00394893/step, 1.54623 hours remaining, 113.675781 MB of memory in use. ENERGY: 1090400 648.9065 1784.2508 1997.5745 120.0216 1.7094 -1036.7852 0.0000 0.0000 2697.5714 6213.2490 297.9543 3515.6776 6246.7227 298.7786 PRESSURE: 1090600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1090600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1090600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1090600 0 0 0 0 0 0 0 0 0 TIMING: 1090600 CPU: 4319.92, 0.0039495/step Wall: 4319.92, 0.0039495/step, 1.54623 hours remaining, 113.675781 MB of memory in use. ENERGY: 1090600 683.7042 1803.8222 1991.8925 103.6439 1.6665 -1071.0894 0.0000 0.0000 2713.1392 6226.7790 299.6738 3513.6398 6258.7827 298.1353 PRESSURE: 1090800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1090800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1090800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1090800 0 0 0 0 0 0 0 0 0 TIMING: 1090800 CPU: 4320.71, 0.00395126/step Wall: 4320.71, 0.00395126/step, 1.5467 hours remaining, 113.675781 MB of memory in use. ENERGY: 1090800 657.3493 1828.0586 2021.3752 106.0665 2.0191 -1069.5295 0.0000 0.0000 2691.2544 6236.5936 297.2565 3545.3392 6267.0372 298.8718 PRESSURE: 1091000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1091000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1091000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1091000 0 0 0 0 0 0 0 0 0 TIMING: 1091000 CPU: 4321.5, 0.00395111/step Wall: 4321.5, 0.00395111/step, 1.54642 hours remaining, 113.675781 MB of memory in use. ENERGY: 1091000 668.3541 1847.2743 2023.4429 110.2813 2.0840 -1061.0391 0.0000 0.0000 2672.7469 6263.1444 295.2123 3590.3975 6295.7322 299.8013 PRESSURE: 1091200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1091200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1091200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1091200 0 0 0 0 0 0 0 0 0 TIMING: 1091200 CPU: 4322.29, 0.00395038/step Wall: 4322.29, 0.00395038/step, 1.54592 hours remaining, 113.675781 MB of memory in use. ENERGY: 1091200 652.5424 1850.7259 2011.5546 104.4109 2.5341 -1089.3094 0.0000 0.0000 2703.7606 6236.2191 298.6379 3532.4585 6269.8277 299.7750 PRESSURE: 1091400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1091400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1091400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1091400 0 0 0 0 0 0 0 0 0 TIMING: 1091400 CPU: 4323.08, 0.00394686/step Wall: 4323.08, 0.00394686/step, 1.54432 hours remaining, 113.675781 MB of memory in use. ENERGY: 1091400 657.2391 1850.0815 1999.6056 119.1039 1.0589 -1065.7037 0.0000 0.0000 2714.3873 6275.7726 299.8116 3561.3854 6305.9401 302.0129 PRESSURE: 1091600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1091600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1091600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1091600 0 0 0 0 0 0 0 0 0 TIMING: 1091600 CPU: 4323.87, 0.00394895/step Wall: 4323.87, 0.00394895/step, 1.54492 hours remaining, 113.675781 MB of memory in use. ENERGY: 1091600 692.3934 1813.5661 2007.1425 111.5500 1.5895 -1096.1045 0.0000 0.0000 2690.7056 6220.8426 297.1959 3530.1370 6254.0797 299.5445 PRESSURE: 1091800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1091800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1091800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1091800 0 0 0 0 0 0 0 0 0 TIMING: 1091800 CPU: 4324.66, 0.00395017/step Wall: 4324.66, 0.00395017/step, 1.54517 hours remaining, 113.675781 MB of memory in use. ENERGY: 1091800 628.1464 1862.6317 2003.0213 102.3307 1.6634 -1071.1717 0.0000 0.0000 2704.3584 6230.9802 298.7039 3526.6218 6264.3508 299.1650 PRESSURE: 1092000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1092000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1092000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1092000 0 0 0 0 0 0 0 0 0 TIMING: 1092000 CPU: 4325.45, 0.00395088/step Wall: 4325.45, 0.00395088/step, 1.54523 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1092000 610.1820 1871.0316 1974.0261 109.6535 0.8246 -1083.2333 0.0000 0.0000 2723.1754 6205.6600 300.7823 3482.4846 6238.0786 299.2479 PRESSURE: 1092200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1092200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1092200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1092200 0 0 0 0 0 0 0 0 0 TIMING: 1092200 CPU: 4326.24, 0.00395048/step Wall: 4326.24, 0.00395048/step, 1.54486 hours remaining, 113.675781 MB of memory in use. ENERGY: 1092200 654.3947 1823.0619 1970.4899 111.2984 1.1102 -1103.7823 0.0000 0.0000 2718.8293 6175.4021 300.3023 3456.5727 6210.6110 299.7871 LDB: ============= START OF LOAD BALANCING ============== 4329.2 LDB: ============== END OF LOAD BALANCING =============== 4329.2 LDB: =============== DONE WITH MIGRATION ================ 4329.2 LDB: ============= START OF LOAD BALANCING ============== 4329.59 LDB: ============== END OF LOAD BALANCING =============== 4329.59 LDB: =============== DONE WITH MIGRATION ================ 4329.59 PRESSURE: 1092400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1092400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1092400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1092400 0 0 0 0 0 0 0 0 0 TIMING: 1092400 CPU: 4327.03, 0.00395184/step Wall: 4327.03, 0.00395184/step, 1.54517 hours remaining, 113.675781 MB of memory in use. ENERGY: 1092400 659.4282 1837.0423 2007.3376 103.4626 1.7552 -1097.0677 0.0000 0.0000 2683.9177 6195.8759 296.4462 3511.9582 6229.9667 298.4703 PRESSURE: 1092600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1092600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1092600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1092600 0 0 0 0 0 0 0 0 0 TIMING: 1092600 CPU: 4327.82, 0.00394945/step Wall: 4327.82, 0.00394945/step, 1.54402 hours remaining, 113.675781 MB of memory in use. ENERGY: 1092600 657.6421 1826.0661 1993.3814 117.9110 1.8248 -1077.5905 0.0000 0.0000 2661.2714 6180.5063 293.9448 3519.2349 6212.5096 296.4773 PRESSURE: 1092800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1092800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1092800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1092800 0 0 0 0 0 0 0 0 0 TIMING: 1092800 CPU: 4328.61, 0.00394935/step Wall: 4328.61, 0.00394935/step, 1.54376 hours remaining, 113.675781 MB of memory in use. ENERGY: 1092800 628.8005 1838.3198 1986.9182 117.3277 1.5403 -1100.2072 0.0000 0.0000 2707.3157 6180.0151 299.0306 3472.6993 6215.2345 297.6804 PRESSURE: 1093000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1093000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1093000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1093000 0 0 0 0 0 0 0 0 0 TIMING: 1093000 CPU: 4329.4, 0.0039509/step Wall: 4329.4, 0.0039509/step, 1.54414 hours remaining, 113.675781 MB of memory in use. ENERGY: 1093000 671.5883 1871.8058 2008.9549 106.6881 2.0604 -1096.1157 0.0000 0.0000 2673.3552 6238.3371 295.2795 3564.9819 6271.1875 298.3328 PRESSURE: 1093200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1093200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1093200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1093200 0 0 0 0 0 0 0 0 0 TIMING: 1093200 CPU: 4330.19, 0.00395011/step Wall: 4330.19, 0.00395011/step, 1.54361 hours remaining, 113.675781 MB of memory in use. ENERGY: 1093200 703.0916 1825.3322 2027.1234 113.9048 1.7916 -1082.4148 0.0000 0.0000 2653.2052 6242.0341 293.0539 3588.8289 6274.5693 300.7765 PRESSURE: 1093400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1093400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1093400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1093400 0 0 0 0 0 0 0 0 0 TIMING: 1093400 CPU: 4330.98, 0.00394719/step Wall: 4330.98, 0.00394719/step, 1.54226 hours remaining, 113.675781 MB of memory in use. ENERGY: 1093400 653.7188 1860.0494 1933.6429 115.0595 1.9801 -1054.4893 0.0000 0.0000 2720.4584 6230.4199 300.4822 3509.9614 6261.9790 299.0737 PRESSURE: 1093600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1093600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1093600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1093600 0 0 0 0 0 0 0 0 0 TIMING: 1093600 CPU: 4331.77, 0.00395135/step Wall: 4331.77, 0.00395135/step, 1.54366 hours remaining, 113.675781 MB of memory in use. ENERGY: 1093600 647.7347 1901.2668 1982.7955 117.8106 1.4704 -1103.3138 0.0000 0.0000 2693.1882 6240.9524 297.4701 3547.7642 6273.5245 299.6839 PRESSURE: 1093800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1093800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1093800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1093800 0 0 0 0 0 0 0 0 0 TIMING: 1093800 CPU: 4332.56, 0.0039496/step Wall: 4332.56, 0.0039496/step, 1.54276 hours remaining, 113.675781 MB of memory in use. ENERGY: 1093800 621.8147 1821.2466 1982.3784 103.8159 1.6006 -1056.7323 0.0000 0.0000 2742.2297 6216.3535 302.8869 3474.1238 6249.9853 299.4237 PRESSURE: 1094000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1094000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1094000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1094000 0 0 0 0 0 0 0 0 0 TIMING: 1094000 CPU: 4333.35, 0.00394971/step Wall: 4333.35, 0.00394971/step, 1.54258 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1094000 665.0560 1796.5687 1965.7037 106.6129 3.0401 -1076.1424 0.0000 0.0000 2760.0368 6220.8758 304.8538 3460.8391 6256.7955 298.7439 PRESSURE: 1094200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1094200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1094200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1094200 0 0 0 0 0 0 0 0 0 TIMING: 1094200 CPU: 4334.14, 0.00394817/step Wall: 4334.14, 0.00394817/step, 1.54176 hours remaining, 113.675781 MB of memory in use. ENERGY: 1094200 678.2652 1851.6080 1992.1189 102.8674 2.4019 -1093.0965 0.0000 0.0000 2708.6528 6242.8177 299.1782 3534.1649 6278.3279 300.9272 PRESSURE: 1094400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1094400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1094400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1094400 0 0 0 0 0 0 0 0 0 TIMING: 1094400 CPU: 4334.93, 0.00395091/step Wall: 4334.93, 0.00395091/step, 1.54261 hours remaining, 113.675781 MB of memory in use. ENERGY: 1094400 629.4338 1875.9318 2007.8338 104.1540 2.6816 -1061.0934 0.0000 0.0000 2721.4220 6280.3635 300.5886 3558.9415 6316.8537 300.3291 PRESSURE: 1094600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1094600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1094600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1094600 0 0 0 0 0 0 0 0 0 TIMING: 1094600 CPU: 4335.72, 0.00395191/step Wall: 4335.72, 0.00395191/step, 1.54278 hours remaining, 113.675781 MB of memory in use. ENERGY: 1094600 656.6592 1816.3707 1998.0631 104.0841 2.6574 -1055.1613 0.0000 0.0000 2752.5659 6275.2391 304.0286 3522.6731 6312.5320 302.4326 PRESSURE: 1094800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1094800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1094800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1094800 0 0 0 0 0 0 0 0 0 TIMING: 1094800 CPU: 4336.51, 0.00395139/step Wall: 4336.51, 0.00395139/step, 1.54236 hours remaining, 113.675781 MB of memory in use. ENERGY: 1094800 647.5098 1847.4321 2011.9578 110.4190 1.8665 -1081.7741 0.0000 0.0000 2700.4363 6237.8473 298.2707 3537.4111 6268.1365 301.0033 PRESSURE: 1095000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1095000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1095000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1095000 0 0 0 0 0 0 0 0 0 TIMING: 1095000 CPU: 4337.3, 0.00395215/step Wall: 4337.3, 0.00395215/step, 1.54244 hours remaining, 113.675781 MB of memory in use. ENERGY: 1095000 662.4492 1818.6992 1962.8502 113.7679 1.3530 -1062.3831 0.0000 0.0000 2678.0246 6174.7610 295.7953 3496.7364 6209.1597 297.9556 PRESSURE: 1095200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1095200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1095200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1095200 0 0 0 0 0 0 0 0 0 TIMING: 1095200 CPU: 4338.09, 0.00394611/step Wall: 4338.09, 0.00394611/step, 1.53986 hours remaining, 113.675781 MB of memory in use. ENERGY: 1095200 653.6008 1861.2607 1999.4790 119.3544 1.3469 -1094.7247 0.0000 0.0000 2665.5170 6205.8340 294.4138 3540.3170 6235.8390 297.4337 PRESSURE: 1095400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1095400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1095400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1095400 0 0 0 0 0 0 0 0 0 TIMING: 1095400 CPU: 4338.88, 0.00396147/step Wall: 4338.88, 0.00396147/step, 1.54563 hours remaining, 113.675781 MB of memory in use. ENERGY: 1095400 655.9128 1828.2455 1995.4669 104.0435 1.4348 -1099.4830 0.0000 0.0000 2686.8239 6172.4444 296.7672 3485.6205 6202.9501 296.4636 PRESSURE: 1095600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1095600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1095600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1095600 0 0 0 0 0 0 0 0 0 TIMING: 1095600 CPU: 4339.67, 0.00395135/step Wall: 4339.67, 0.00395135/step, 1.54147 hours remaining, 113.675781 MB of memory in use. ENERGY: 1095600 623.1942 1799.5410 1987.5626 112.1515 0.7289 -1061.4280 0.0000 0.0000 2665.5470 6127.2973 294.4171 3461.7503 6160.1506 295.5244 PRESSURE: 1095800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1095800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1095800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1095800 0 0 0 0 0 0 0 0 0 TIMING: 1095800 CPU: 4340.46, 0.00394962/step Wall: 4340.46, 0.00394962/step, 1.54057 hours remaining, 113.675781 MB of memory in use. ENERGY: 1095800 623.6496 1809.4359 1976.9099 94.6903 2.8579 -1057.7504 0.0000 0.0000 2652.2292 6102.0224 292.9461 3449.7932 6134.2197 290.1813 PRESSURE: 1096000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1096000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1096000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1096000 0 0 0 0 0 0 0 0 0 TIMING: 1096000 CPU: 4341.25, 0.00394953/step Wall: 4341.25, 0.00394953/step, 1.54032 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1096000 637.9556 1777.9542 1985.9403 126.3325 1.9259 -1076.3175 0.0000 0.0000 2613.8460 6067.6369 288.7066 3453.7909 6100.8546 291.7224 PRESSURE: 1096200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1096200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1096200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1096200 0 0 0 0 0 0 0 0 0 TIMING: 1096200 CPU: 4342.04, 0.00394633/step Wall: 4342.04, 0.00394633/step, 1.53885 hours remaining, 113.675781 MB of memory in use. ENERGY: 1096200 633.6863 1748.5031 1997.9779 110.2526 1.7200 -1088.9164 0.0000 0.0000 2618.3858 6021.6093 289.2080 3403.2235 6053.1454 289.0915 LDB: ============= START OF LOAD BALANCING ============== 4345 LDB: ============== END OF LOAD BALANCING =============== 4345 LDB: =============== DONE WITH MIGRATION ================ 4345 LDB: ============= START OF LOAD BALANCING ============== 4345.39 LDB: ============== END OF LOAD BALANCING =============== 4345.39 LDB: =============== DONE WITH MIGRATION ================ 4345.39 PRESSURE: 1096400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1096400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1096400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1096400 0 0 0 0 0 0 0 0 0 TIMING: 1096400 CPU: 4342.83, 0.00395402/step Wall: 4342.83, 0.00395402/step, 1.54163 hours remaining, 113.675781 MB of memory in use. ENERGY: 1096400 651.5858 1784.1646 1993.7691 97.5211 1.5718 -1082.6609 0.0000 0.0000 2639.5541 6085.5055 291.5461 3445.9515 6116.8758 289.3202 PRESSURE: 1096600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1096600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1096600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1096600 0 0 0 0 0 0 0 0 0 TIMING: 1096600 CPU: 4343.62, 0.00394872/step Wall: 4343.62, 0.00394872/step, 1.53934 hours remaining, 113.675781 MB of memory in use. ENERGY: 1096600 682.6105 1825.4077 1977.0802 116.1279 0.9374 -1092.8594 0.0000 0.0000 2623.1224 6132.4266 289.7312 3509.3042 6165.3126 292.1999 PRESSURE: 1096800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1096800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1096800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1096800 0 0 0 0 0 0 0 0 0 TIMING: 1096800 CPU: 4344.41, 0.0039485/step Wall: 4344.41, 0.0039485/step, 1.53904 hours remaining, 113.675781 MB of memory in use. ENERGY: 1096800 660.4278 1835.4022 2009.5090 100.8683 2.0781 -1090.6247 0.0000 0.0000 2662.3631 6180.0239 294.0654 3517.6608 6213.3120 295.3327 PRESSURE: 1097000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1097000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1097000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1097000 0 0 0 0 0 0 0 0 0 TIMING: 1097000 CPU: 4345.2, 0.00394592/step Wall: 4345.2, 0.00394592/step, 1.53781 hours remaining, 113.675781 MB of memory in use. ENERGY: 1097000 623.0111 1795.5211 1986.3162 96.0076 1.6253 -1057.7632 0.0000 0.0000 2701.3338 6146.0519 298.3698 3444.7181 6180.6885 295.7253 PRESSURE: 1097200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1097200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1097200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1097200 0 0 0 0 0 0 0 0 0 TIMING: 1097200 CPU: 4345.99, 0.00394897/step Wall: 4345.99, 0.00394897/step, 1.53878 hours remaining, 113.675781 MB of memory in use. ENERGY: 1097200 640.5670 1814.1159 1984.3468 102.5992 0.9620 -1049.1476 0.0000 0.0000 2656.8667 6150.3100 293.4583 3493.4433 6179.9995 293.9769 PRESSURE: 1097400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1097400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1097400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1097400 0 0 0 0 0 0 0 0 0 TIMING: 1097400 CPU: 4346.78, 0.00395185/step Wall: 4346.78, 0.00395185/step, 1.53969 hours remaining, 113.675781 MB of memory in use. ENERGY: 1097400 668.0084 1802.4162 1996.6363 110.3938 1.5249 -1049.3380 0.0000 0.0000 2661.6495 6191.2910 293.9866 3529.6415 6222.8064 298.1179 PRESSURE: 1097600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1097600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1097600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1097600 0 0 0 0 0 0 0 0 0 TIMING: 1097600 CPU: 4347.57, 0.00394691/step Wall: 4347.57, 0.00394691/step, 1.53754 hours remaining, 113.675781 MB of memory in use. ENERGY: 1097600 658.5757 1835.8436 2001.2192 130.7151 1.9213 -1060.6044 0.0000 0.0000 2704.9438 6272.6143 298.7686 3567.6705 6303.8632 299.0249 PRESSURE: 1097800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1097800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1097800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1097800 0 0 0 0 0 0 0 0 0 TIMING: 1097800 CPU: 4348.36, 0.00394796/step Wall: 4348.36, 0.00394796/step, 1.53773 hours remaining, 113.675781 MB of memory in use. ENERGY: 1097800 691.4974 1869.2455 1979.6088 113.3376 1.8548 -1080.4691 0.0000 0.0000 2760.9841 6336.0591 304.9584 3575.0750 6367.7007 303.0067 PRESSURE: 1098000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1098000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1098000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1098000 0 0 0 0 0 0 0 0 0 TIMING: 1098000 CPU: 4349.15, 0.00394592/step Wall: 4349.15, 0.00394592/step, 1.53671 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1098000 679.8329 1880.1922 1997.9414 125.3804 0.7235 -1071.8311 0.0000 0.0000 2715.2970 6327.5364 299.9121 3612.2393 6360.5091 305.9037 PRESSURE: 1098200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1098200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1098200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1098200 0 0 0 0 0 0 0 0 0 TIMING: 1098200 CPU: 4349.94, 0.00394846/step Wall: 4349.94, 0.00394847/step, 1.53749 hours remaining, 113.675781 MB of memory in use. ENERGY: 1098200 673.6746 1862.3760 1976.5751 113.7316 2.9931 -1057.4242 0.0000 0.0000 2727.3423 6299.2683 301.2426 3571.9261 6332.9539 303.1843 PRESSURE: 1098400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1098400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1098400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1098400 0 0 0 0 0 0 0 0 0 TIMING: 1098400 CPU: 4350.72, 0.00394759/step Wall: 4350.72, 0.00394758/step, 1.53692 hours remaining, 113.675781 MB of memory in use. ENERGY: 1098400 639.1669 1835.0621 2013.1544 115.5838 1.1296 -1024.9851 0.0000 0.0000 2691.7280 6270.8396 297.3089 3579.1116 6304.1833 301.0883 PRESSURE: 1098600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1098600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1098600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1098600 0 0 0 0 0 0 0 0 0 TIMING: 1098600 CPU: 4351.51, 0.0039488/step Wall: 4351.51, 0.00394881/step, 1.53718 hours remaining, 113.675781 MB of memory in use. ENERGY: 1098600 649.1131 1859.2368 1976.7300 112.9481 2.7170 -1061.2035 0.0000 0.0000 2716.8695 6256.4112 300.0858 3539.5417 6288.8380 301.3118 PRESSURE: 1098800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1098800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1098800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1098800 0 0 0 0 0 0 0 0 0 TIMING: 1098800 CPU: 4352.31, 0.0039521/step Wall: 4352.31, 0.0039521/step, 1.53825 hours remaining, 113.675781 MB of memory in use. ENERGY: 1098800 645.8927 1831.8867 2011.8382 108.9122 2.6463 -1035.2294 0.0000 0.0000 2684.7459 6250.6927 296.5377 3565.9467 6283.6959 298.1663 PRESSURE: 1099000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1099000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1099000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1099000 0 0 0 0 0 0 0 0 0 TIMING: 1099000 CPU: 4353.09, 0.00394493/step Wall: 4353.09, 0.00394493/step, 1.53523 hours remaining, 113.675781 MB of memory in use. ENERGY: 1099000 631.2547 1763.8877 2008.8427 111.2775 0.9197 -1002.8050 0.0000 0.0000 2738.7620 6252.1391 302.5039 3513.3772 6288.2390 298.4660 PRESSURE: 1099200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1099200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1099200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1099200 0 0 0 0 0 0 0 0 0 TIMING: 1099200 CPU: 4353.88, 0.00394758/step Wall: 4353.88, 0.00394758/step, 1.53605 hours remaining, 113.675781 MB of memory in use. ENERGY: 1099200 656.8132 1795.1409 1993.9100 93.0660 1.7126 -1048.8745 0.0000 0.0000 2682.4722 6174.2405 296.2865 3491.7682 6206.3599 298.1912 PRESSURE: 1099400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1099400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1099400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1099400 0 0 0 0 0 0 0 0 0 TIMING: 1099400 CPU: 4354.67, 0.00394848/step Wall: 4354.67, 0.00394848/step, 1.53618 hours remaining, 113.675781 MB of memory in use. ENERGY: 1099400 660.5880 1816.1545 1989.8997 103.4234 1.4345 -1059.7194 0.0000 0.0000 2662.7443 6174.5252 294.1075 3511.7808 6205.3081 294.2419 PRESSURE: 1099600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1099600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1099600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1099600 0 0 0 0 0 0 0 0 0 TIMING: 1099600 CPU: 4355.46, 0.00394886/step Wall: 4355.46, 0.00394886/step, 1.53611 hours remaining, 113.675781 MB of memory in use. ENERGY: 1099600 631.4906 1875.3670 1963.8069 105.8857 1.8480 -1061.0880 0.0000 0.0000 2700.8221 6218.1323 298.3133 3517.3101 6251.7994 296.8237 PRESSURE: 1099800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1099800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1099800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1099800 0 0 0 0 0 0 0 0 0 TIMING: 1099800 CPU: 4356.25, 0.00394965/step Wall: 4356.25, 0.00394965/step, 1.53619 hours remaining, 113.675781 MB of memory in use. ENERGY: 1099800 660.6210 1815.3190 1967.5474 117.4789 1.8345 -1076.7170 0.0000 0.0000 2671.1662 6157.2501 295.0377 3486.0839 6191.7153 296.8492 PRESSURE: 1100000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1100000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1100000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1100000 0 0 0 0 0 0 0 0 0 TIMING: 1100000 CPU: 4357.04, 0.00394729/step Wall: 4357.04, 0.00394729/step, 1.53506 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1100000 630.7450 1807.3066 1978.3992 107.0090 0.8867 -1057.3529 0.0000 0.0000 2699.7134 6166.7070 298.1909 3466.9936 6203.1169 295.4471 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1100200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1100200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1100200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1100200 0 0 0 0 0 0 0 0 0 TIMING: 1100200 CPU: 4357.86, 0.00409883/step Wall: 4357.86, 0.00409883/step, 1.59376 hours remaining, 113.675781 MB of memory in use. ENERGY: 1100200 626.6500 1860.7621 2015.9289 107.2317 0.7530 -1053.5076 0.0000 0.0000 2690.2597 6248.0777 297.1467 3557.8181 6280.3894 296.6846 LDB: ============= START OF LOAD BALANCING ============== 4360.82 LDB: ============== END OF LOAD BALANCING =============== 4360.82 LDB: =============== DONE WITH MIGRATION ================ 4360.82 LDB: ============= START OF LOAD BALANCING ============== 4361.22 LDB: ============== END OF LOAD BALANCING =============== 4361.22 LDB: =============== DONE WITH MIGRATION ================ 4361.22 PRESSURE: 1100400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1100400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1100400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1100400 0 0 0 0 0 0 0 0 0 TIMING: 1100400 CPU: 4358.65, 0.00395499/step Wall: 4358.65, 0.00395499/step, 1.53761 hours remaining, 113.675781 MB of memory in use. ENERGY: 1100400 614.2619 1871.7115 2003.2484 100.2442 2.1208 -1029.0596 0.0000 0.0000 2672.9593 6235.4866 295.2358 3562.5273 6267.8658 299.8029 PRESSURE: 1100600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1100600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1100600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1100600 0 0 0 0 0 0 0 0 0 TIMING: 1100600 CPU: 4359.44, 0.0039495/step Wall: 4359.44, 0.0039495/step, 1.53526 hours remaining, 113.675781 MB of memory in use. ENERGY: 1100600 628.7874 1855.1322 1959.1489 105.0817 2.4244 -1031.3252 0.0000 0.0000 2732.3087 6251.5581 301.7911 3519.2493 6284.9573 300.5766 PRESSURE: 1100800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1100800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1100800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1100800 0 0 0 0 0 0 0 0 0 TIMING: 1100800 CPU: 4360.23, 0.00394481/step Wall: 4360.23, 0.00394481/step, 1.53322 hours remaining, 113.675781 MB of memory in use. ENERGY: 1100800 646.4061 1823.7815 1967.0014 114.6035 3.6143 -1063.4625 0.0000 0.0000 2714.9711 6206.9155 299.8761 3491.9443 6242.1807 298.7063 PRESSURE: 1101000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1101000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1101000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1101000 0 0 0 0 0 0 0 0 0 TIMING: 1101000 CPU: 4361.02, 0.00395023/step Wall: 4361.02, 0.00395023/step, 1.53511 hours remaining, 113.675781 MB of memory in use. ENERGY: 1101000 636.2322 1799.9151 1993.5595 108.6722 2.1122 -1034.8644 0.0000 0.0000 2699.7106 6205.3374 298.1906 3505.6269 6239.7616 295.7685 PRESSURE: 1101200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1101200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1101200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1101200 0 0 0 0 0 0 0 0 0 TIMING: 1101200 CPU: 4361.81, 0.0039479/step Wall: 4361.81, 0.00394789/step, 1.53397 hours remaining, 113.675781 MB of memory in use. ENERGY: 1101200 636.6082 1808.5437 2010.8505 110.1962 1.5956 -1047.1579 0.0000 0.0000 2690.4248 6211.0609 297.1649 3520.6361 6245.7122 296.9416 PRESSURE: 1101400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1101400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1101400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1101400 0 0 0 0 0 0 0 0 0 TIMING: 1101400 CPU: 4362.6, 0.00396016/step Wall: 4362.6, 0.00396016/step, 1.53852 hours remaining, 113.675781 MB of memory in use. ENERGY: 1101400 661.0015 1824.9360 1971.5010 107.6247 1.9505 -1075.1215 0.0000 0.0000 2719.8755 6211.7677 300.4178 3491.8921 6244.8351 297.4497 PRESSURE: 1101600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1101600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1101600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1101600 0 0 0 0 0 0 0 0 0 TIMING: 1101600 CPU: 4363.39, 0.00395257/step Wall: 4363.39, 0.00395257/step, 1.53535 hours remaining, 113.675781 MB of memory in use. ENERGY: 1101600 672.7880 1864.8458 1995.0752 115.3029 1.2388 -1065.8551 0.0000 0.0000 2660.0018 6243.3973 293.8046 3583.3955 6274.7419 298.7338 PRESSURE: 1101800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1101800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1101800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1101800 0 0 0 0 0 0 0 0 0 TIMING: 1101800 CPU: 4364.19, 0.00395805/step Wall: 4364.19, 0.00395805/step, 1.53726 hours remaining, 113.675781 MB of memory in use. ENERGY: 1101800 651.4782 1842.5132 2006.1686 103.9396 2.4701 -1088.9374 0.0000 0.0000 2726.8235 6244.4557 301.1852 3517.6322 6281.0947 299.8292 PRESSURE: 1102000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1102000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1102000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1102000 0 0 0 0 0 0 0 0 0 TIMING: 1102000 CPU: 4364.98, 0.00394987/step Wall: 4364.98, 0.00394987/step, 1.53387 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1102000 628.6646 1852.9011 1994.8685 118.2549 1.2603 -1069.8666 0.0000 0.0000 2722.7123 6248.7951 300.7312 3526.0829 6283.9413 300.3296 PRESSURE: 1102200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1102200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1102200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1102200 0 0 0 0 0 0 0 0 0 TIMING: 1102200 CPU: 4365.77, 0.00394966/step Wall: 4365.77, 0.00394966/step, 1.53357 hours remaining, 113.675781 MB of memory in use. ENERGY: 1102200 652.7953 1833.0394 1997.5353 123.6269 1.6674 -1088.9109 0.0000 0.0000 2746.7445 6266.4979 303.3856 3519.7533 6300.4988 300.2428 PRESSURE: 1102400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1102400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1102400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1102400 0 0 0 0 0 0 0 0 0 TIMING: 1102400 CPU: 4366.56, 0.00394987/step Wall: 4366.56, 0.00394987/step, 1.53343 hours remaining, 113.675781 MB of memory in use. ENERGY: 1102400 644.4025 1850.3604 1984.3882 98.4601 1.3712 -1051.4081 0.0000 0.0000 2692.3475 6219.9219 297.3773 3527.5744 6251.9131 300.0627 PRESSURE: 1102600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1102600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1102600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1102600 0 0 0 0 0 0 0 0 0 TIMING: 1102600 CPU: 4367.35, 0.00394925/step Wall: 4367.35, 0.00394925/step, 1.53297 hours remaining, 113.675781 MB of memory in use. ENERGY: 1102600 691.9326 1856.1980 1971.6949 117.8343 2.2776 -1092.3623 0.0000 0.0000 2702.6729 6250.2482 298.5178 3547.5752 6283.7407 299.9218 PRESSURE: 1102800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1102800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1102800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1102800 0 0 0 0 0 0 0 0 0 TIMING: 1102800 CPU: 4368.13, 0.00394404/step Wall: 4368.13, 0.00394404/step, 1.53073 hours remaining, 113.675781 MB of memory in use. ENERGY: 1102800 657.0637 1890.3411 1975.0267 103.7794 1.2025 -1047.6139 0.0000 0.0000 2686.2140 6266.0134 296.6998 3579.7994 6297.8803 300.5901 PRESSURE: 1103000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1103000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1103000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1103000 0 0 0 0 0 0 0 0 0 TIMING: 1103000 CPU: 4368.92, 0.00394628/step Wall: 4368.92, 0.00394628/step, 1.53138 hours remaining, 113.675781 MB of memory in use. ENERGY: 1103000 628.7812 1862.7361 1980.9517 98.7239 0.4566 -1053.8137 0.0000 0.0000 2715.9381 6233.7738 299.9829 3517.8357 6268.6546 301.1264 PRESSURE: 1103200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1103200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1103200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1103200 0 0 0 0 0 0 0 0 0 TIMING: 1103200 CPU: 4369.71, 0.00394783/step Wall: 4369.71, 0.00394783/step, 1.53176 hours remaining, 113.675781 MB of memory in use. ENERGY: 1103200 641.5512 1822.6365 1981.4890 107.2166 1.0849 -1025.7857 0.0000 0.0000 2740.8097 6269.0021 302.7301 3528.1924 6303.6980 298.0846 PRESSURE: 1103400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1103400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1103400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1103400 0 0 0 0 0 0 0 0 0 TIMING: 1103400 CPU: 4370.5, 0.00394669/step Wall: 4370.5, 0.00394669/step, 1.5311 hours remaining, 113.675781 MB of memory in use. ENERGY: 1103400 618.6925 1836.9730 1995.3257 107.0892 1.6301 -1063.9769 0.0000 0.0000 2729.8659 6225.5996 301.5213 3495.7336 6256.8413 299.3135 PRESSURE: 1103600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1103600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1103600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1103600 0 0 0 0 0 0 0 0 0 TIMING: 1103600 CPU: 4372.8, 0.011492/step Wall: 4372.8, 0.011492/step, 4.45761 hours remaining, 113.675781 MB of memory in use. ENERGY: 1103600 642.7632 1867.0784 1991.4607 122.0742 0.5510 -1042.9673 0.0000 0.0000 2706.9083 6287.8686 298.9856 3580.9603 6320.8851 298.9859 PRESSURE: 1103800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1103800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1103800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1103800 0 0 0 0 0 0 0 0 0 TIMING: 1103800 CPU: 4373.6, 0.00398556/step Wall: 4373.6, 0.00398556/step, 1.54573 hours remaining, 113.675781 MB of memory in use. ENERGY: 1103800 640.2270 1857.9558 1985.8257 113.2941 0.3179 -1053.3141 0.0000 0.0000 2726.6279 6270.9342 301.1636 3544.3063 6305.6933 301.4097 PRESSURE: 1104000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1104000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1104000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1104000 0 0 0 0 0 0 0 0 0 TIMING: 1104000 CPU: 4374.39, 0.00394755/step Wall: 4374.39, 0.00394755/step, 1.53077 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1104000 683.3330 1858.4033 1987.1610 111.0474 0.9795 -1080.1095 0.0000 0.0000 2749.4401 6310.2548 303.6833 3560.8147 6341.9941 302.0798 PRESSURE: 1104200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1104200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1104200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1104200 0 0 0 0 0 0 0 0 0 TIMING: 1104200 CPU: 4375.18, 0.00394435/step Wall: 4375.18, 0.00394435/step, 1.52931 hours remaining, 113.675781 MB of memory in use. ENERGY: 1104200 653.9382 1870.2003 1980.0525 105.4410 1.9519 -1063.9418 0.0000 0.0000 2725.8815 6273.5236 301.0812 3547.6421 6307.2861 302.9625 LDB: ============= START OF LOAD BALANCING ============== 4378.14 LDB: ============== END OF LOAD BALANCING =============== 4378.14 LDB: =============== DONE WITH MIGRATION ================ 4378.14 LDB: ============= START OF LOAD BALANCING ============== 4378.53 LDB: ============== END OF LOAD BALANCING =============== 4378.53 LDB: =============== DONE WITH MIGRATION ================ 4378.53 PRESSURE: 1104400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1104400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1104400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1104400 0 0 0 0 0 0 0 0 0 TIMING: 1104400 CPU: 4375.97, 0.0039552/step Wall: 4375.97, 0.0039552/step, 1.5333 hours remaining, 113.675781 MB of memory in use. ENERGY: 1104400 638.5101 1857.6551 2001.5253 106.8741 1.2220 -1045.3424 0.0000 0.0000 2663.7450 6224.1892 294.2181 3560.4441 6258.1297 298.6322 PRESSURE: 1104600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1104600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1104600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1104600 0 0 0 0 0 0 0 0 0 TIMING: 1104600 CPU: 4376.76, 0.00395155/step Wall: 4376.76, 0.00395155/step, 1.53167 hours remaining, 113.675781 MB of memory in use. ENERGY: 1104600 643.0150 1930.4267 1989.2091 108.0618 0.7105 -1063.8380 0.0000 0.0000 2630.0657 6237.6507 290.4981 3607.5851 6268.2104 300.6405 PRESSURE: 1104800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1104800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1104800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1104800 0 0 0 0 0 0 0 0 0 TIMING: 1104800 CPU: 4377.55, 0.00395186/step Wall: 4377.55, 0.00395186/step, 1.53156 hours remaining, 113.675781 MB of memory in use. ENERGY: 1104800 685.7432 1833.6367 1996.2108 104.2743 0.9958 -1069.7758 0.0000 0.0000 2663.7883 6214.8734 294.2228 3551.0850 6245.3304 296.5441 PRESSURE: 1105000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1105000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1105000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1105000 0 0 0 0 0 0 0 0 0 TIMING: 1105000 CPU: 4378.34, 0.00396065/step Wall: 4378.34, 0.00396065/step, 1.53475 hours remaining, 113.675781 MB of memory in use. ENERGY: 1105000 631.5611 1860.1560 1996.0288 101.4913 1.4406 -1070.5646 0.0000 0.0000 2713.1151 6233.2283 299.6711 3520.1132 6264.6572 297.4067 PRESSURE: 1105200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1105200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1105200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1105200 0 0 0 0 0 0 0 0 0 TIMING: 1105200 CPU: 4379.13, 0.00394669/step Wall: 4379.13, 0.00394669/step, 1.52912 hours remaining, 113.675781 MB of memory in use. ENERGY: 1105200 648.7964 1860.3928 2013.6388 96.4755 2.1973 -1103.8066 0.0000 0.0000 2679.7463 6197.4405 295.9854 3517.6942 6230.4973 297.9948 PRESSURE: 1105400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1105400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1105400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1105400 0 0 0 0 0 0 0 0 0 TIMING: 1105400 CPU: 4379.92, 0.00394808/step Wall: 4379.92, 0.00394808/step, 1.52944 hours remaining, 113.675781 MB of memory in use. ENERGY: 1105400 630.4823 1837.1562 2011.3428 93.1809 0.3216 -1058.2059 0.0000 0.0000 2721.7484 6236.0263 300.6247 3514.2779 6271.0964 297.1304 PRESSURE: 1105600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1105600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1105600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1105600 0 0 0 0 0 0 0 0 0 TIMING: 1105600 CPU: 4380.71, 0.00395025/step Wall: 4380.71, 0.00395025/step, 1.53007 hours remaining, 113.675781 MB of memory in use. ENERGY: 1105600 652.9968 1843.4421 2016.4894 112.1716 1.8675 -1051.6879 0.0000 0.0000 2745.4191 6320.6987 303.2392 3575.2796 6353.4432 300.5990 PRESSURE: 1105800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1105800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1105800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1105800 0 0 0 0 0 0 0 0 0 TIMING: 1105800 CPU: 4381.5, 0.00394962/step Wall: 4381.5, 0.00394962/step, 1.5296 hours remaining, 113.675781 MB of memory in use. ENERGY: 1105800 666.8437 1867.1741 1987.9710 103.0624 1.5500 -1070.8650 0.0000 0.0000 2679.7453 6235.4815 295.9853 3555.7362 6268.2362 301.2334 PRESSURE: 1106000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1106000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1106000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1106000 0 0 0 0 0 0 0 0 0 TIMING: 1106000 CPU: 4382.29, 0.00394945/step Wall: 4382.29, 0.00394945/step, 1.52931 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1106000 674.8411 1842.2971 2011.2318 104.2049 0.5563 -1076.7380 0.0000 0.0000 2668.2174 6224.6105 294.7120 3556.3932 6258.1670 297.9461 PRESSURE: 1106200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1106200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1106200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1106200 0 0 0 0 0 0 0 0 0 TIMING: 1106200 CPU: 4383.08, 0.00394791/step Wall: 4383.08, 0.00394791/step, 1.5285 hours remaining, 113.675781 MB of memory in use. ENERGY: 1106200 640.2002 1792.2909 1980.9517 107.6220 1.1532 -1016.5578 0.0000 0.0000 2720.5890 6226.2493 300.4966 3505.6603 6260.2310 298.2028 PRESSURE: 1106400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1106400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1106400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1106400 0 0 0 0 0 0 0 0 0 TIMING: 1106400 CPU: 4383.87, 0.0039491/step Wall: 4383.87, 0.0039491/step, 1.52874 hours remaining, 113.675781 MB of memory in use. ENERGY: 1106400 632.8788 1881.4204 1981.1579 111.7226 2.4937 -1049.4210 0.0000 0.0000 2712.5575 6272.8099 299.6095 3560.2525 6305.6919 301.0185 PRESSURE: 1106600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1106600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1106600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1106600 0 0 0 0 0 0 0 0 0 TIMING: 1106600 CPU: 4384.66, 0.0039491/step Wall: 4384.66, 0.0039491/step, 1.52852 hours remaining, 113.675781 MB of memory in use. ENERGY: 1106600 685.7769 1798.5759 1972.8124 110.7454 1.7408 -1082.5152 0.0000 0.0000 2758.1609 6245.2971 304.6466 3487.1362 6278.9425 300.6757 PRESSURE: 1106800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1106800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1106800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1106800 0 0 0 0 0 0 0 0 0 TIMING: 1106800 CPU: 4385.45, 0.00394863/step Wall: 4385.45, 0.00394863/step, 1.52812 hours remaining, 113.675781 MB of memory in use. ENERGY: 1106800 665.3059 1830.6722 1992.2708 110.5258 1.4880 -1055.7259 0.0000 0.0000 2664.4462 6208.9829 294.2955 3544.5367 6242.0066 299.7644 PRESSURE: 1107000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1107000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1107000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1107000 0 0 0 0 0 0 0 0 0 TIMING: 1107000 CPU: 4386.24, 0.00394692/step Wall: 4386.24, 0.00394692/step, 1.52724 hours remaining, 113.675781 MB of memory in use. ENERGY: 1107000 655.1447 1820.1314 2013.3772 109.8227 1.6143 -1115.1600 0.0000 0.0000 2714.8844 6199.8146 299.8665 3484.9302 6233.6176 297.6754 PRESSURE: 1107200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1107200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1107200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1107200 0 0 0 0 0 0 0 0 0 TIMING: 1107200 CPU: 4387.03, 0.00394902/step Wall: 4387.03, 0.00394902/step, 1.52783 hours remaining, 113.675781 MB of memory in use. ENERGY: 1107200 676.7102 1894.0167 1987.3875 107.9403 1.0256 -1106.2450 0.0000 0.0000 2668.4385 6229.2739 294.7365 3560.8354 6261.3322 298.1940 PRESSURE: 1107400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1107400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1107400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1107400 0 0 0 0 0 0 0 0 0 TIMING: 1107400 CPU: 4387.82, 0.00394791/step Wall: 4387.82, 0.00394791/step, 1.52719 hours remaining, 113.675781 MB of memory in use. ENERGY: 1107400 672.0652 1825.3272 2023.9738 99.2719 1.6190 -1091.3540 0.0000 0.0000 2749.6351 6280.5382 303.7049 3530.9031 6314.5044 299.4023 PRESSURE: 1107600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1107600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1107600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1107600 0 0 0 0 0 0 0 0 0 TIMING: 1107600 CPU: 4388.61, 0.00394792/step Wall: 4388.61, 0.00394792/step, 1.52697 hours remaining, 113.675781 MB of memory in use. ENERGY: 1107600 682.1952 1829.5674 2007.6988 109.9089 0.0979 -1126.5650 0.0000 0.0000 2759.0956 6261.9988 304.7498 3502.9032 6296.1991 301.6793 PRESSURE: 1107800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1107800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1107800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1107800 0 0 0 0 0 0 0 0 0 TIMING: 1107800 CPU: 4389.4, 0.00394912/step Wall: 4389.4, 0.00394912/step, 1.52721 hours remaining, 113.675781 MB of memory in use. ENERGY: 1107800 671.0063 1831.8540 2021.7915 98.4218 1.6431 -1094.5099 0.0000 0.0000 2717.3263 6247.5331 300.1363 3530.2068 6279.2969 300.5460 PRESSURE: 1108000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1108000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1108000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1108000 0 0 0 0 0 0 0 0 0 TIMING: 1108000 CPU: 4390.19, 0.00394757/step Wall: 4390.19, 0.00394757/step, 1.52639 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1108000 658.4610 1863.0990 2015.3054 107.9165 1.6670 -1086.5018 0.0000 0.0000 2725.2192 6285.1663 301.0081 3559.9471 6317.2404 300.1613 PRESSURE: 1108200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1108200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1108200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1108200 0 0 0 0 0 0 0 0 0 TIMING: 1108200 CPU: 4390.98, 0.00394807/step Wall: 4390.98, 0.00394807/step, 1.52637 hours remaining, 113.675781 MB of memory in use. ENERGY: 1108200 632.4049 1877.0450 1961.0612 108.6219 2.1626 -1074.0000 0.0000 0.0000 2760.6827 6267.9783 304.9251 3507.2956 6301.1697 301.0610 LDB: ============= START OF LOAD BALANCING ============== 4393.93 LDB: ============== END OF LOAD BALANCING =============== 4393.93 LDB: =============== DONE WITH MIGRATION ================ 4393.93 LDB: ============= START OF LOAD BALANCING ============== 4394.33 LDB: ============== END OF LOAD BALANCING =============== 4394.33 LDB: =============== DONE WITH MIGRATION ================ 4394.33 PRESSURE: 1108400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1108400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1108400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1108400 0 0 0 0 0 0 0 0 0 TIMING: 1108400 CPU: 4391.77, 0.00395357/step Wall: 4391.77, 0.00395357/step, 1.52827 hours remaining, 113.675781 MB of memory in use. ENERGY: 1108400 642.5940 1856.4621 2003.8673 96.0880 -0.0424 -1062.3558 0.0000 0.0000 2768.4198 6305.0331 305.7797 3536.6133 6338.1344 302.1500 PRESSURE: 1108600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1108600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1108600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1108600 0 0 0 0 0 0 0 0 0 TIMING: 1108600 CPU: 4392.56, 0.00394797/step Wall: 4392.56, 0.00394797/step, 1.52589 hours remaining, 113.675781 MB of memory in use. ENERGY: 1108600 650.5019 1858.0448 2015.2395 100.7462 1.3714 -1049.6138 0.0000 0.0000 2675.8847 6252.1746 295.5589 3576.2900 6282.5575 301.9185 PRESSURE: 1108800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1108800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1108800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1108800 0 0 0 0 0 0 0 0 0 TIMING: 1108800 CPU: 4393.35, 0.00394771/step Wall: 4393.35, 0.00394771/step, 1.52557 hours remaining, 113.675781 MB of memory in use. ENERGY: 1108800 659.5230 1882.5663 1998.5643 115.5629 1.3833 -1073.3005 0.0000 0.0000 2675.0196 6259.3189 295.4634 3584.2992 6289.2283 300.6761 PRESSURE: 1109000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1109000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1109000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1109000 0 0 0 0 0 0 0 0 0 TIMING: 1109000 CPU: 4394.13, 0.00394896/step Wall: 4394.13, 0.00394896/step, 1.52583 hours remaining, 113.675781 MB of memory in use. ENERGY: 1109000 633.1469 1825.1858 2018.2701 117.6813 2.5751 -1062.6919 0.0000 0.0000 2713.7663 6247.9337 299.7431 3534.1673 6283.4773 299.8457 PRESSURE: 1109200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1109200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1109200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1109200 0 0 0 0 0 0 0 0 0 TIMING: 1109200 CPU: 4394.92, 0.00394869/step Wall: 4394.92, 0.00394869/step, 1.52551 hours remaining, 113.675781 MB of memory in use. ENERGY: 1109200 628.9142 1859.3631 2015.6618 104.9902 1.9960 -1026.1733 0.0000 0.0000 2709.2803 6294.0324 299.2476 3584.7521 6326.5678 301.1597 PRESSURE: 1109400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1109400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1109400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1109400 0 0 0 0 0 0 0 0 0 TIMING: 1109400 CPU: 4395.71, 0.00394882/step Wall: 4395.71, 0.00394882/step, 1.52534 hours remaining, 113.675781 MB of memory in use. ENERGY: 1109400 666.1890 1844.3451 1997.7571 112.4788 0.6763 -1086.3369 0.0000 0.0000 2740.9275 6276.0368 302.7431 3535.1093 6309.7767 303.3479 PRESSURE: 1109600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1109600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1109600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1109600 0 0 0 0 0 0 0 0 0 TIMING: 1109600 CPU: 4396.5, 0.00394684/step Wall: 4396.5, 0.00394684/step, 1.52436 hours remaining, 113.675781 MB of memory in use. ENERGY: 1109600 685.3434 1839.9698 2011.2888 111.3518 1.7147 -1078.8537 0.0000 0.0000 2767.6532 6338.4680 305.6950 3570.8148 6372.8029 303.0498 PRESSURE: 1109800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1109800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1109800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1109800 0 0 0 0 0 0 0 0 0 TIMING: 1109800 CPU: 4397.29, 0.00394629/step Wall: 4397.29, 0.00394629/step, 1.52393 hours remaining, 113.675781 MB of memory in use. ENERGY: 1109800 704.3128 1873.8412 1985.2099 106.8331 -0.0151 -1073.3598 0.0000 0.0000 2734.2238 6331.0459 302.0026 3596.8221 6363.1377 303.6686 PRESSURE: 1110000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1110000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1110000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1110000 0 0 0 0 0 0 0 0 0 TIMING: 1110000 CPU: 4398.08, 0.00395029/step Wall: 4398.08, 0.00395029/step, 1.52525 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1110000 639.3428 1843.8277 2005.8542 120.4690 0.5068 -1094.3242 0.0000 0.0000 2778.7792 6294.4555 306.9239 3515.6763 6327.1297 305.6211 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1110000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1110000 WRITING COORDINATES TO RESTART FILE AT STEP 1110000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1110000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1110200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1110200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1110200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1110200 0 0 0 0 0 0 0 0 0 TIMING: 1110200 CPU: 4400.97, 0.0144314/step Wall: 4400.97, 0.0144314/step, 5.57133 hours remaining, 113.675781 MB of memory in use. ENERGY: 1110200 665.6425 1856.5397 2020.4121 108.2290 0.3236 -1103.6971 0.0000 0.0000 2663.2358 6210.6856 294.1618 3547.4499 6242.2619 300.9627 PRESSURE: 1110400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1110400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1110400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1110400 0 0 0 0 0 0 0 0 0 TIMING: 1110400 CPU: 4401.76, 0.00395042/step Wall: 4401.76, 0.00395042/step, 1.52486 hours remaining, 113.675781 MB of memory in use. ENERGY: 1110400 673.7031 1846.8841 2005.8905 107.4400 0.7743 -1044.6735 0.0000 0.0000 2671.7663 6261.7849 295.1040 3590.0186 6294.7950 298.5326 PRESSURE: 1110600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1110600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1110600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1110600 0 0 0 0 0 0 0 0 0 TIMING: 1110600 CPU: 4402.55, 0.00395043/step Wall: 4402.55, 0.00395043/step, 1.52464 hours remaining, 113.675781 MB of memory in use. ENERGY: 1110600 616.1393 1864.8244 1985.0818 107.8369 0.9684 -1047.0495 0.0000 0.0000 2782.2012 6310.0026 307.3019 3527.8014 6343.6859 303.4034 PRESSURE: 1110800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1110800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1110800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1110800 0 0 0 0 0 0 0 0 0 TIMING: 1110800 CPU: 4403.34, 0.00394953/step Wall: 4403.34, 0.00394953/step, 1.52408 hours remaining, 113.675781 MB of memory in use. ENERGY: 1110800 642.7169 1890.3229 1995.8125 101.6610 1.0419 -1074.7683 0.0000 0.0000 2732.8496 6289.6365 301.8508 3556.7869 6323.8507 302.1628 PRESSURE: 1111000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1111000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1111000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1111000 0 0 0 0 0 0 0 0 0 TIMING: 1111000 CPU: 4404.13, 0.00394942/step Wall: 4404.13, 0.00394942/step, 1.52382 hours remaining, 113.675781 MB of memory in use. ENERGY: 1111000 664.3888 1885.1297 2007.2655 106.0663 0.2465 -1044.7022 0.0000 0.0000 2670.5828 6288.9775 294.9733 3618.3947 6320.9034 300.7407 PRESSURE: 1111200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1111200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1111200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1111200 0 0 0 0 0 0 0 0 0 TIMING: 1111200 CPU: 4404.92, 0.00395011/step Wall: 4404.92, 0.00395011/step, 1.52387 hours remaining, 113.675781 MB of memory in use. ENERGY: 1111200 613.6233 1863.6076 2015.3494 109.1803 2.3228 -1011.3712 0.0000 0.0000 2676.6790 6269.3912 295.6466 3592.7122 6300.9521 301.1354 PRESSURE: 1111400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1111400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1111400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1111400 0 0 0 0 0 0 0 0 0 TIMING: 1111400 CPU: 4405.71, 0.00394921/step Wall: 4405.71, 0.00394921/step, 1.5233 hours remaining, 113.675781 MB of memory in use. ENERGY: 1111400 635.6630 1910.2034 2021.2314 112.2999 0.7814 -1073.3083 0.0000 0.0000 2645.0144 6251.8851 292.1492 3606.8708 6279.6904 299.4118 PRESSURE: 1111600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1111600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1111600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1111600 0 0 0 0 0 0 0 0 0 TIMING: 1111600 CPU: 4409.68, 0.0198344/step Wall: 4409.68, 0.0198344/step, 7.64949 hours remaining, 113.675781 MB of memory in use. ENERGY: 1111600 621.0356 1876.8174 1991.5967 111.2746 -0.1209 -1046.7032 0.0000 0.0000 2692.2681 6246.1682 297.3685 3553.9001 6278.8641 299.8357 PRESSURE: 1111800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1111800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1111800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1111800 0 0 0 0 0 0 0 0 0 TIMING: 1111800 CPU: 4410.47, 0.00398602/step Wall: 4410.47, 0.00398602/step, 1.53705 hours remaining, 113.675781 MB of memory in use. ENERGY: 1111800 659.5162 1874.4363 1993.6640 113.3499 0.9691 -1055.1768 0.0000 0.0000 2683.5731 6270.3318 296.4081 3586.7587 6300.8445 298.5364 PRESSURE: 1112000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1112000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1112000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1112000 0 0 0 0 0 0 0 0 0 TIMING: 1112000 CPU: 4411.26, 0.00394981/step Wall: 4411.26, 0.00394981/step, 1.52287 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1112000 606.7636 1853.9915 2010.8069 103.5393 0.9413 -1021.8961 0.0000 0.0000 2738.9758 6293.1222 302.5275 3554.1465 6323.6682 302.2778 PRESSURE: 1112200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1112200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1112200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1112200 0 0 0 0 0 0 0 0 0 TIMING: 1112200 CPU: 4412.05, 0.00395034/step Wall: 4412.05, 0.00395034/step, 1.52286 hours remaining, 113.675781 MB of memory in use. ENERGY: 1112200 650.5347 1826.4758 2014.2277 113.0670 2.2234 -1048.5734 0.0000 0.0000 2697.6943 6255.6496 297.9679 3557.9552 6291.0395 301.9702 LDB: ============= START OF LOAD BALANCING ============== 4415.01 LDB: ============== END OF LOAD BALANCING =============== 4415.01 LDB: =============== DONE WITH MIGRATION ================ 4415.01 LDB: ============= START OF LOAD BALANCING ============== 4415.41 LDB: ============== END OF LOAD BALANCING =============== 4415.41 LDB: =============== DONE WITH MIGRATION ================ 4415.41 PRESSURE: 1112400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1112400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1112400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1112400 0 0 0 0 0 0 0 0 0 TIMING: 1112400 CPU: 4412.84, 0.00395408/step Wall: 4412.84, 0.00395408/step, 1.52408 hours remaining, 113.675781 MB of memory in use. ENERGY: 1112400 663.1787 1861.6831 1963.0529 108.0031 1.4608 -1094.1870 0.0000 0.0000 2724.7524 6227.9440 300.9565 3503.1916 6261.4641 298.6749 PRESSURE: 1112600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1112600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1112600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1112600 0 0 0 0 0 0 0 0 0 TIMING: 1112600 CPU: 4413.63, 0.0039507/step Wall: 4413.63, 0.0039507/step, 1.52256 hours remaining, 113.675781 MB of memory in use. ENERGY: 1112600 652.8074 1861.6601 1989.4509 108.1582 -0.1273 -1086.0095 0.0000 0.0000 2709.4335 6235.3733 299.2645 3525.9398 6266.5377 300.7440 PRESSURE: 1112800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1112800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1112800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1112800 0 0 0 0 0 0 0 0 0 TIMING: 1112800 CPU: 4414.42, 0.00394883/step Wall: 4414.42, 0.00394883/step, 1.52161 hours remaining, 113.675781 MB of memory in use. ENERGY: 1112800 664.4105 1849.4919 1992.4418 94.4700 0.6988 -1050.1641 0.0000 0.0000 2702.7533 6254.1022 298.5266 3551.3489 6286.7637 299.0735 PRESSURE: 1113000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1113000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1113000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1113000 0 0 0 0 0 0 0 0 0 TIMING: 1113000 CPU: 4415.21, 0.0039491/step Wall: 4415.21, 0.0039491/step, 1.5215 hours remaining, 113.675781 MB of memory in use. ENERGY: 1113000 652.0532 1825.3139 1989.6850 124.3303 -0.9110 -1056.0673 0.0000 0.0000 2679.5718 6213.9759 295.9662 3534.4041 6247.1312 298.1610 PRESSURE: 1113200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1113200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1113200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1113200 0 0 0 0 0 0 0 0 0 TIMING: 1113200 CPU: 4416, 0.00394773/step Wall: 4416, 0.00394773/step, 1.52075 hours remaining, 113.675781 MB of memory in use. ENERGY: 1113200 701.9831 1822.6058 1997.5201 105.8117 0.1080 -1085.2860 0.0000 0.0000 2682.8105 6225.5532 296.3239 3542.7427 6255.3809 296.7452 PRESSURE: 1113400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1113400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1113400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1113400 0 0 0 0 0 0 0 0 0 TIMING: 1113400 CPU: 4416.79, 0.00394841/step Wall: 4416.79, 0.00394841/step, 1.5208 hours remaining, 113.675781 MB of memory in use. ENERGY: 1113400 649.1701 1815.3971 1971.4167 102.6876 0.7982 -1064.6438 0.0000 0.0000 2714.2386 6189.0645 299.7952 3474.8258 6223.9712 298.6415 PRESSURE: 1113600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1113600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1113600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1113600 0 0 0 0 0 0 0 0 0 TIMING: 1113600 CPU: 4417.58, 0.00394806/step Wall: 4417.58, 0.00394806/step, 1.52044 hours remaining, 113.675781 MB of memory in use. ENERGY: 1113600 632.0902 1836.5648 1988.5559 110.5187 1.1793 -1088.0926 0.0000 0.0000 2742.4428 6223.2591 302.9104 3480.8164 6259.5256 299.7322 PRESSURE: 1113800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1113800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1113800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1113800 0 0 0 0 0 0 0 0 0 TIMING: 1113800 CPU: 4418.37, 0.00395398/step Wall: 4418.37, 0.00395398/step, 1.5225 hours remaining, 113.675781 MB of memory in use. ENERGY: 1113800 649.2432 1843.0022 2017.6040 107.0147 0.3552 -1094.7289 0.0000 0.0000 2764.2557 6286.7463 305.3197 3522.4905 6318.5002 301.3027 PRESSURE: 1114000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1114000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1114000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1114000 0 0 0 0 0 0 0 0 0 TIMING: 1114000 CPU: 4419.16, 0.00394724/step Wall: 4419.16, 0.00394724/step, 1.51969 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1114000 629.7396 1875.7193 2011.5867 108.5667 -1.3564 -1075.4128 0.0000 0.0000 2765.9817 6314.8248 305.5104 3548.8431 6345.9195 303.4268 PRESSURE: 1114200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1114200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1114200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1114200 0 0 0 0 0 0 0 0 0 TIMING: 1114200 CPU: 4419.95, 0.00394799/step Wall: 4419.95, 0.00394799/step, 1.51976 hours remaining, 113.675781 MB of memory in use. ENERGY: 1114200 666.6594 1894.8922 2012.9527 98.3641 0.2543 -1071.1999 0.0000 0.0000 2740.4943 6342.4169 302.6952 3601.9226 6376.6602 304.9567 PRESSURE: 1114400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1114400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1114400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1114400 0 0 0 0 0 0 0 0 0 TIMING: 1114400 CPU: 4420.74, 0.00394723/step Wall: 4420.74, 0.00394723/step, 1.51924 hours remaining, 113.675781 MB of memory in use. ENERGY: 1114400 662.7541 1845.0379 2005.3433 123.6455 -1.2670 -1077.1102 0.0000 0.0000 2754.7741 6313.1777 304.2725 3558.4036 6348.2378 305.7477 PRESSURE: 1114600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1114600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1114600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1114600 0 0 0 0 0 0 0 0 0 TIMING: 1114600 CPU: 4421.53, 0.00394783/step Wall: 4421.53, 0.00394783/step, 1.51925 hours remaining, 113.675781 MB of memory in use. ENERGY: 1114600 667.3058 1866.7582 1990.7813 105.9014 0.3878 -1071.3188 0.0000 0.0000 2715.0380 6274.8537 299.8835 3559.8157 6307.4780 303.1226 PRESSURE: 1114800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1114800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1114800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1114800 0 0 0 0 0 0 0 0 0 TIMING: 1114800 CPU: 4422.32, 0.00394389/step Wall: 4422.32, 0.00394389/step, 1.51752 hours remaining, 113.675781 MB of memory in use. ENERGY: 1114800 641.8408 1843.6162 1989.4362 118.8885 -0.7697 -1052.8611 0.0000 0.0000 2748.6374 6288.7883 303.5947 3540.1509 6320.2904 302.9853 PRESSURE: 1115000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1115000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1115000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1115000 0 0 0 0 0 0 0 0 0 TIMING: 1115000 CPU: 4423.11, 0.00395435/step Wall: 4423.11, 0.00395435/step, 1.52133 hours remaining, 113.675781 MB of memory in use. ENERGY: 1115000 686.2636 1884.9045 2001.5007 108.9864 0.7512 -1108.3646 0.0000 0.0000 2709.2870 6283.3288 299.2483 3574.0417 6316.7819 304.4626 PRESSURE: 1115200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1115200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1115200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1115200 0 0 0 0 0 0 0 0 0 TIMING: 1115200 CPU: 4423.9, 0.00395167/step Wall: 4423.9, 0.00395167/step, 1.52008 hours remaining, 113.675781 MB of memory in use. ENERGY: 1115200 665.2438 1883.7863 1989.8813 114.2555 0.3205 -1082.1155 0.0000 0.0000 2682.0956 6253.4675 296.2449 3571.3719 6287.2575 302.5466 PRESSURE: 1115400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1115400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1115400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1115400 0 0 0 0 0 0 0 0 0 TIMING: 1115400 CPU: 4424.69, 0.00395046/step Wall: 4424.69, 0.00395046/step, 1.51939 hours remaining, 113.675781 MB of memory in use. ENERGY: 1115400 614.1517 1850.3226 1947.6680 93.9685 1.4965 -1072.7004 0.0000 0.0000 2787.4583 6222.3653 307.8825 3434.9070 6257.9759 300.1616 PRESSURE: 1115600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1115600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1115600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1115600 0 0 0 0 0 0 0 0 0 TIMING: 1115600 CPU: 4425.48, 0.00394866/step Wall: 4425.48, 0.00394866/step, 1.51848 hours remaining, 113.675781 MB of memory in use. ENERGY: 1115600 664.5758 1840.2924 2002.3194 115.3809 0.9242 -1100.4677 0.0000 0.0000 2745.5250 6268.5500 303.2509 3523.0250 6302.2710 301.9599 PRESSURE: 1115800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1115800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1115800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1115800 0 0 0 0 0 0 0 0 0 TIMING: 1115800 CPU: 4426.27, 0.00394789/step Wall: 4426.27, 0.00394789/step, 1.51796 hours remaining, 113.675781 MB of memory in use. ENERGY: 1115800 645.4119 1852.1707 1983.5276 114.6665 0.4321 -1053.9945 0.0000 0.0000 2750.1856 6292.3999 303.7657 3542.2143 6324.1344 302.9211 PRESSURE: 1116000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1116000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1116000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1116000 0 0 0 0 0 0 0 0 0 TIMING: 1116000 CPU: 4427.06, 0.00394976/step Wall: 4427.06, 0.00394976/step, 1.51846 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1116000 662.0312 1865.5093 2023.7529 102.8605 0.6769 -1101.5108 0.0000 0.0000 2682.1953 6235.5151 296.2559 3553.3199 6267.4309 301.3673 PRESSURE: 1116200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1116200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1116200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1116200 0 0 0 0 0 0 0 0 0 TIMING: 1116200 CPU: 4427.85, 0.00394712/step Wall: 4427.85, 0.00394712/step, 1.51723 hours remaining, 113.675781 MB of memory in use. ENERGY: 1116200 666.6673 1841.5603 1992.5046 105.3196 1.0512 -1070.6435 0.0000 0.0000 2697.5884 6234.0480 297.9562 3536.4596 6267.3906 299.5802 LDB: ============= START OF LOAD BALANCING ============== 4430.81 LDB: ============== END OF LOAD BALANCING =============== 4430.81 LDB: =============== DONE WITH MIGRATION ================ 4430.81 LDB: ============= START OF LOAD BALANCING ============== 4431.21 LDB: ============== END OF LOAD BALANCING =============== 4431.21 LDB: =============== DONE WITH MIGRATION ================ 4431.21 PRESSURE: 1116400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1116400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1116400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1116400 0 0 0 0 0 0 0 0 0 TIMING: 1116400 CPU: 4428.64, 0.00395267/step Wall: 4428.64, 0.00395267/step, 1.51914 hours remaining, 113.675781 MB of memory in use. ENERGY: 1116400 695.4475 1811.8740 2004.9096 111.4542 -0.2112 -1090.9501 0.0000 0.0000 2665.3893 6197.9133 294.3997 3532.5240 6230.3053 299.3374 PRESSURE: 1116600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1116600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1116600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1116600 0 0 0 0 0 0 0 0 0 TIMING: 1116600 CPU: 4429.43, 0.00394782/step Wall: 4429.43, 0.00394782/step, 1.51706 hours remaining, 113.675781 MB of memory in use. ENERGY: 1116600 647.7534 1787.0327 1995.3113 113.8185 1.5144 -1073.1140 0.0000 0.0000 2737.6900 6210.0064 302.3855 3472.3164 6246.4607 298.5218 PRESSURE: 1116800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1116800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1116800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1116800 0 0 0 0 0 0 0 0 0 TIMING: 1116800 CPU: 4430.22, 0.0039469/step Wall: 4430.22, 0.0039469/step, 1.51649 hours remaining, 113.675781 MB of memory in use. ENERGY: 1116800 662.2010 1820.1849 1963.9433 119.0792 0.5427 -1126.1235 0.0000 0.0000 2741.5401 6181.3677 302.8107 3439.8276 6216.5327 298.3285 PRESSURE: 1117000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1117000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1117000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1117000 0 0 0 0 0 0 0 0 0 TIMING: 1117000 CPU: 4431.01, 0.00395198/step Wall: 4431.01, 0.00395198/step, 1.51822 hours remaining, 113.675781 MB of memory in use. ENERGY: 1117000 659.9631 1803.1747 1997.5298 108.9214 -0.7647 -1080.6481 0.0000 0.0000 2677.1143 6165.2905 295.6947 3488.1763 6200.3620 297.2912 PRESSURE: 1117200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1117200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1117200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1117200 0 0 0 0 0 0 0 0 0 TIMING: 1117200 CPU: 4431.8, 0.00394868/step Wall: 4431.8, 0.00394868/step, 1.51673 hours remaining, 113.675781 MB of memory in use. ENERGY: 1117200 655.4651 1800.4295 2000.5766 111.4369 -0.1769 -1057.8392 0.0000 0.0000 2682.5840 6192.4760 296.2989 3509.8919 6222.8936 297.4594 PRESSURE: 1117400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1117400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1117400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1117400 0 0 0 0 0 0 0 0 0 TIMING: 1117400 CPU: 4432.59, 0.00394763/step Wall: 4432.59, 0.00394763/step, 1.51611 hours remaining, 113.675781 MB of memory in use. ENERGY: 1117400 693.2732 1768.9048 2000.4885 103.7382 0.4383 -1064.7589 0.0000 0.0000 2678.1803 6180.2644 295.8125 3502.0842 6212.9945 296.7349 PRESSURE: 1117600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1117600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1117600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1117600 0 0 0 0 0 0 0 0 0 TIMING: 1117600 CPU: 4433.38, 0.00394608/step Wall: 4433.38, 0.00394608/step, 1.51529 hours remaining, 113.675781 MB of memory in use. ENERGY: 1117600 670.4051 1818.9092 1985.8793 109.4201 -0.5261 -1109.4690 0.0000 0.0000 2719.3939 6194.0125 300.3646 3474.6186 6227.1918 297.2083 PRESSURE: 1117800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1117800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1117800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1117800 0 0 0 0 0 0 0 0 0 TIMING: 1117800 CPU: 4434.17, 0.00394705/step Wall: 4434.17, 0.00394705/step, 1.51545 hours remaining, 113.675781 MB of memory in use. ENERGY: 1117800 625.5737 1833.8805 1991.3631 102.5135 1.2992 -1082.1653 0.0000 0.0000 2723.4188 6195.8835 300.8092 3472.4646 6227.5232 298.1289 PRESSURE: 1118000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1118000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1118000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1118000 0 0 0 0 0 0 0 0 0 TIMING: 1118000 CPU: 4434.96, 0.00394544/step Wall: 4434.96, 0.00394544/step, 1.51461 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1118000 665.4614 1815.8660 1998.9116 115.9121 1.7187 -1075.0237 0.0000 0.0000 2732.3088 6255.1549 301.7911 3522.8461 6286.5902 297.7662 PRESSURE: 1118200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1118200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1118200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1118200 0 0 0 0 0 0 0 0 0 TIMING: 1118200 CPU: 4435.75, 0.00394715/step Wall: 4435.75, 0.00394715/step, 1.51505 hours remaining, 113.675781 MB of memory in use. ENERGY: 1118200 671.9981 1825.4192 2015.1095 106.9691 1.6618 -1105.0773 0.0000 0.0000 2687.6204 6203.7008 296.8552 3516.0805 6238.0591 300.0879 PRESSURE: 1118400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1118400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1118400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1118400 0 0 0 0 0 0 0 0 0 TIMING: 1118400 CPU: 4436.54, 0.00394664/step Wall: 4436.54, 0.00394664/step, 1.51463 hours remaining, 113.675781 MB of memory in use. ENERGY: 1118400 677.6979 1868.9233 1998.8393 110.6192 1.3824 -1078.3640 0.0000 0.0000 2672.5248 6251.6228 295.1878 3579.0980 6281.8496 299.9193 PRESSURE: 1118600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1118600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1118600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1118600 0 0 0 0 0 0 0 0 0 TIMING: 1118600 CPU: 4437.32, 0.00394428/step Wall: 4437.32, 0.00394428/step, 1.51351 hours remaining, 113.675781 MB of memory in use. ENERGY: 1118600 661.1448 1811.7612 2028.8995 117.7443 1.2453 -1060.8073 0.0000 0.0000 2720.1201 6280.1079 300.4448 3559.9878 6314.6683 302.1507 PRESSURE: 1118800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1118800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1118800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1118800 0 0 0 0 0 0 0 0 0 TIMING: 1118800 CPU: 4438.11, 0.00394694/step Wall: 4438.11, 0.00394694/step, 1.51431 hours remaining, 113.675781 MB of memory in use. ENERGY: 1118800 633.3825 1864.8841 2018.7788 110.5792 1.1781 -1072.9995 0.0000 0.0000 2651.4636 6207.2669 292.8615 3555.8032 6242.0381 301.2445 PRESSURE: 1119000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1119000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1119000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1119000 0 0 0 0 0 0 0 0 0 TIMING: 1119000 CPU: 4438.9, 0.00394682/step Wall: 4438.9, 0.00394682/step, 1.51404 hours remaining, 113.675781 MB of memory in use. ENERGY: 1119000 640.7120 1821.9163 2025.0310 112.8355 0.9780 -1121.6454 0.0000 0.0000 2711.7473 6191.5746 299.5200 3479.8273 6225.8986 299.5981 PRESSURE: 1119200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1119200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1119200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1119200 0 0 0 0 0 0 0 0 0 TIMING: 1119200 CPU: 4439.69, 0.00394858/step Wall: 4439.69, 0.00394858/step, 1.5145 hours remaining, 113.675781 MB of memory in use. ENERGY: 1119200 616.0751 1836.4496 1992.4943 114.5962 0.9732 -1064.0537 0.0000 0.0000 2693.9304 6190.4651 297.5521 3496.5347 6222.0038 296.3321 PRESSURE: 1119400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1119400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1119400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1119400 0 0 0 0 0 0 0 0 0 TIMING: 1119400 CPU: 4440.48, 0.00394647/step Wall: 4440.48, 0.00394647/step, 1.51347 hours remaining, 113.675781 MB of memory in use. ENERGY: 1119400 624.5343 1845.4431 1993.7441 108.6261 -0.7997 -1068.7667 0.0000 0.0000 2725.6740 6228.4553 301.0583 3502.7813 6263.1215 297.4797 PRESSURE: 1119600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1119600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1119600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1119600 0 0 0 0 0 0 0 0 0 TIMING: 1119600 CPU: 4441.27, 0.00394629/step Wall: 4441.27, 0.00394629/step, 1.51318 hours remaining, 113.675781 MB of memory in use. ENERGY: 1119600 648.1934 1772.9797 1975.0661 113.7872 0.8753 -1074.4505 0.0000 0.0000 2755.1599 6191.6112 304.3151 3436.4513 6227.3529 298.1880 PRESSURE: 1119800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1119800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1119800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1119800 0 0 0 0 0 0 0 0 0 TIMING: 1119800 CPU: 4442.06, 0.00394665/step Wall: 4442.06, 0.00394665/step, 1.5131 hours remaining, 113.675781 MB of memory in use. ENERGY: 1119800 645.3861 1861.2928 1985.3572 104.0487 0.8095 -1089.6474 0.0000 0.0000 2721.3055 6228.5524 300.5758 3507.2469 6263.4725 299.5329 PRESSURE: 1120000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1120000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1120000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1120000 0 0 0 0 0 0 0 0 0 TIMING: 1120000 CPU: 4442.85, 0.00394609/step Wall: 4442.85, 0.00394609/step, 1.51267 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1120000 669.5677 1850.9257 1979.5935 103.0823 -0.6772 -1084.4160 0.0000 0.0000 2747.4588 6265.5348 303.4645 3518.0760 6301.3682 301.0178 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1120000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1120000 WRITING COORDINATES TO RESTART FILE AT STEP 1120000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1120000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1120200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1120200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1120200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1120200 0 0 0 0 0 0 0 0 0 TIMING: 1120200 CPU: 4451.25, 0.0419913/step Wall: 4451.25, 0.0419913/step, 16.0943 hours remaining, 113.675781 MB of memory in use. ENERGY: 1120200 662.3020 1867.9888 1994.9601 105.5962 0.2408 -1057.9330 0.0000 0.0000 2726.0884 6299.2431 301.1041 3573.1548 6333.6383 301.1530 LDB: ============= START OF LOAD BALANCING ============== 4454.21 LDB: ============== END OF LOAD BALANCING =============== 4454.21 LDB: =============== DONE WITH MIGRATION ================ 4454.21 LDB: ============= START OF LOAD BALANCING ============== 4454.6 LDB: ============== END OF LOAD BALANCING =============== 4454.6 LDB: =============== DONE WITH MIGRATION ================ 4454.6 PRESSURE: 1120400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1120400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1120400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1120400 0 0 0 0 0 0 0 0 0 TIMING: 1120400 CPU: 4452.04, 0.0039557/step Wall: 4452.04, 0.0039557/step, 1.51591 hours remaining, 113.675781 MB of memory in use. ENERGY: 1120400 691.7264 1821.0257 2001.2998 109.4365 0.6365 -1097.8545 0.0000 0.0000 2768.4677 6294.7382 305.7850 3526.2705 6329.1500 303.3035 PRESSURE: 1120600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1120600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1120600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1120600 0 0 0 0 0 0 0 0 0 TIMING: 1120600 CPU: 4452.83, 0.0039503/step Wall: 4452.83, 0.0039503/step, 1.51363 hours remaining, 113.675781 MB of memory in use. ENERGY: 1120600 687.0085 1862.2623 1972.7441 107.8632 1.0961 -1120.0775 0.0000 0.0000 2787.8786 6298.7752 307.9290 3510.8967 6334.5797 301.8611 PRESSURE: 1120800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1120800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1120800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1120800 0 0 0 0 0 0 0 0 0 TIMING: 1120800 CPU: 4453.62, 0.00395061/step Wall: 4453.62, 0.00395061/step, 1.51352 hours remaining, 113.675781 MB of memory in use. ENERGY: 1120800 656.0887 1899.6000 2023.9087 115.7192 -0.0616 -1066.5616 0.0000 0.0000 2714.1644 6342.8577 299.7870 3628.6934 6376.1678 304.0322 PRESSURE: 1121000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1121000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1121000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1121000 0 0 0 0 0 0 0 0 0 TIMING: 1121000 CPU: 4454.41, 0.0039448/step Wall: 4454.41, 0.0039448/step, 1.51108 hours remaining, 113.675781 MB of memory in use. ENERGY: 1121000 648.0121 1821.5264 2015.7024 102.4592 0.3945 -1049.7434 0.0000 0.0000 2734.1543 6272.5055 301.9950 3538.3512 6307.3489 301.5882 PRESSURE: 1121200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1121200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1121200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1121200 0 0 0 0 0 0 0 0 0 TIMING: 1121200 CPU: 4455.2, 0.00394829/step Wall: 4455.2, 0.00394829/step, 1.5122 hours remaining, 113.675781 MB of memory in use. ENERGY: 1121200 658.4601 1812.0545 1981.4125 97.2466 0.0361 -1099.6491 0.0000 0.0000 2750.0970 6199.6577 303.7559 3449.5606 6233.2206 299.8133 PRESSURE: 1121400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1121400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1121400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1121400 0 0 0 0 0 0 0 0 0 TIMING: 1121400 CPU: 4455.99, 0.00394786/step Wall: 4455.99, 0.00394786/step, 1.51181 hours remaining, 113.675781 MB of memory in use. ENERGY: 1121400 675.7282 1788.5277 2002.8655 105.0677 0.2338 -1103.6857 0.0000 0.0000 2741.9191 6210.6563 302.8526 3468.7372 6245.3297 296.8020 PRESSURE: 1121600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1121600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1121600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1121600 0 0 0 0 0 0 0 0 0 TIMING: 1121600 CPU: 4456.78, 0.00394884/step Wall: 4456.78, 0.00394884/step, 1.51197 hours remaining, 113.675781 MB of memory in use. ENERGY: 1121600 635.0897 1872.8779 1983.7258 117.8096 0.6103 -1036.5721 0.0000 0.0000 2650.6413 6224.1825 292.7707 3573.5412 6256.5013 299.5124 PRESSURE: 1121800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1121800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1121800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1121800 0 0 0 0 0 0 0 0 0 TIMING: 1121800 CPU: 4457.57, 0.00395063/step Wall: 4457.57, 0.00395063/step, 1.51243 hours remaining, 113.675781 MB of memory in use. ENERGY: 1121800 685.9959 1869.1063 1982.3660 109.3026 1.7035 -1093.8044 0.0000 0.0000 2684.7090 6239.3789 296.5336 3554.6699 6274.2081 299.3709 PRESSURE: 1122000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1122000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1122000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1122000 0 0 0 0 0 0 0 0 0 TIMING: 1122000 CPU: 4458.36, 0.00394614/step Wall: 4458.36, 0.00394614/step, 1.5105 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1122000 702.5661 1832.2178 2004.5986 104.0241 0.1693 -1091.9190 0.0000 0.0000 2664.0670 6215.7240 294.2536 3551.6569 6246.9436 298.0339 PRESSURE: 1122200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1122200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1122200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1122200 0 0 0 0 0 0 0 0 0 TIMING: 1122200 CPU: 4459.15, 0.00396134/step Wall: 4459.15, 0.00396134/step, 1.51609 hours remaining, 113.675781 MB of memory in use. ENERGY: 1122200 670.9653 1833.8387 2003.7090 117.2621 -0.4434 -1114.7987 0.0000 0.0000 2687.1455 6197.6786 296.8027 3510.5330 6230.3001 297.5336 PRESSURE: 1122400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1122400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1122400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1122400 0 0 0 0 0 0 0 0 0 TIMING: 1122400 CPU: 4459.94, 0.00394696/step Wall: 4459.94, 0.00394696/step, 1.51037 hours remaining, 113.675781 MB of memory in use. ENERGY: 1122400 667.7319 1842.4058 2003.5664 105.1622 -0.0007 -1137.6379 0.0000 0.0000 2681.3548 6162.5824 296.1631 3481.2276 6195.5128 297.6377 PRESSURE: 1122600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1122600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1122600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1122600 0 0 0 0 0 0 0 0 0 TIMING: 1122600 CPU: 4460.73, 0.00394879/step Wall: 4460.73, 0.00394879/step, 1.51085 hours remaining, 113.675781 MB of memory in use. ENERGY: 1122600 611.7470 1841.2585 1990.5271 83.7777 0.9299 -1082.6198 0.0000 0.0000 2750.5469 6196.1672 303.8056 3445.6203 6233.1927 297.4230 PRESSURE: 1122800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1122800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1122800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1122800 0 0 0 0 0 0 0 0 0 TIMING: 1122800 CPU: 4461.52, 0.00394828/step Wall: 4461.52, 0.00394828/step, 1.51044 hours remaining, 113.675781 MB of memory in use. ENERGY: 1122800 635.7968 1864.0174 1992.3615 111.5425 0.1576 -1094.9772 0.0000 0.0000 2702.4598 6211.3584 298.4942 3508.8986 6244.5439 298.4969 PRESSURE: 1123000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1123000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1123000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1123000 0 0 0 0 0 0 0 0 0 TIMING: 1123000 CPU: 4462.31, 0.00394446/step Wall: 4462.31, 0.00394446/step, 1.50875 hours remaining, 113.675781 MB of memory in use. ENERGY: 1123000 639.7016 1789.0451 2011.5387 110.4788 0.9773 -1067.3913 0.0000 0.0000 2734.2864 6218.6366 302.0096 3484.3502 6250.5511 298.8408 PRESSURE: 1123200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1123200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1123200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1123200 0 0 0 0 0 0 0 0 0 TIMING: 1123200 CPU: 4463.1, 0.00394953/step Wall: 4463.1, 0.00394953/step, 1.51048 hours remaining, 113.675781 MB of memory in use. ENERGY: 1123200 691.6630 1790.2191 1981.5286 104.9469 1.4866 -1059.8027 0.0000 0.0000 2720.0013 6230.0428 300.4317 3510.0415 6263.2909 298.7938 PRESSURE: 1123400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1123400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1123400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1123400 0 0 0 0 0 0 0 0 0 TIMING: 1123400 CPU: 4463.89, 0.00394876/step Wall: 4463.89, 0.00394876/step, 1.50996 hours remaining, 113.675781 MB of memory in use. ENERGY: 1123400 641.0719 1839.0195 1987.5142 106.7860 1.2749 -1070.9326 0.0000 0.0000 2727.6011 6232.3350 301.2711 3504.7339 6266.6205 299.7898 PRESSURE: 1123600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1123600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1123600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1123600 0 0 0 0 0 0 0 0 0 TIMING: 1123600 CPU: 4464.68, 0.00394817/step Wall: 4464.68, 0.00394817/step, 1.50952 hours remaining, 113.675781 MB of memory in use. ENERGY: 1123600 674.5394 1874.1762 1984.8707 111.4084 0.5029 -1101.8101 0.0000 0.0000 2662.3307 6206.0182 294.0618 3543.6875 6239.5082 298.2310 PRESSURE: 1123800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1123800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1123800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1123800 0 0 0 0 0 0 0 0 0 TIMING: 1123800 CPU: 4465.47, 0.00394887/step Wall: 4465.47, 0.00394887/step, 1.50957 hours remaining, 113.675781 MB of memory in use. ENERGY: 1123800 638.4818 1830.4153 2014.9317 106.9707 0.5974 -1094.2056 0.0000 0.0000 2680.9717 6178.1629 296.1208 3497.1912 6210.6522 297.0361 PRESSURE: 1124000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1124000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1124000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1124000 0 0 0 0 0 0 0 0 0 TIMING: 1124000 CPU: 4466.26, 0.00394533/step Wall: 4466.26, 0.00394533/step, 1.50799 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1124000 670.6447 1840.3742 2019.9802 100.4893 0.0118 -1099.6568 0.0000 0.0000 2734.2773 6266.1207 302.0085 3531.8433 6299.6692 297.7688 PRESSURE: 1124200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1124200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1124200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1124200 0 0 0 0 0 0 0 0 0 TIMING: 1124200 CPU: 4467.05, 0.00394954/step Wall: 4467.05, 0.00394954/step, 1.50938 hours remaining, 113.675781 MB of memory in use. ENERGY: 1124200 628.5812 1842.5875 1997.7678 109.0728 0.1678 -1063.6628 0.0000 0.0000 2717.7796 6232.2939 300.1863 3514.5143 6262.5101 300.1384 LDB: ============= START OF LOAD BALANCING ============== 4470 LDB: ============== END OF LOAD BALANCING =============== 4470 LDB: =============== DONE WITH MIGRATION ================ 4470 LDB: ============= START OF LOAD BALANCING ============== 4470.4 LDB: ============== END OF LOAD BALANCING =============== 4470.4 LDB: =============== DONE WITH MIGRATION ================ 4470.4 PRESSURE: 1124400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1124400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1124400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1124400 0 0 0 0 0 0 0 0 0 TIMING: 1124400 CPU: 4467.84, 0.00395257/step Wall: 4467.84, 0.00395257/step, 1.51032 hours remaining, 113.675781 MB of memory in use. ENERGY: 1124400 646.4305 1845.2296 1984.5288 109.3107 1.7240 -1081.0994 0.0000 0.0000 2794.8447 6300.9688 308.6984 3506.1241 6337.0465 300.8561 PRESSURE: 1124600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1124600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1124600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1124600 0 0 0 0 0 0 0 0 0 TIMING: 1124600 CPU: 4468.63, 0.00394844/step Wall: 4468.63, 0.00394844/step, 1.50852 hours remaining, 113.675781 MB of memory in use. ENERGY: 1124600 648.0054 1818.6115 1986.2242 100.7839 0.9590 -1058.1831 0.0000 0.0000 2824.5736 6320.9746 311.9820 3496.4009 6356.4757 304.7793 PRESSURE: 1124800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1124800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1124800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1124800 0 0 0 0 0 0 0 0 0 TIMING: 1124800 CPU: 4469.41, 0.00394466/step Wall: 4469.41, 0.00394466/step, 1.50686 hours remaining, 113.675781 MB of memory in use. ENERGY: 1124800 682.7781 1812.6256 1976.8949 114.2832 0.4294 -1038.0461 0.0000 0.0000 2748.5026 6297.4676 303.5798 3548.9650 6327.8089 304.5201 PRESSURE: 1125000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1125000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1125000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1125000 0 0 0 0 0 0 0 0 0 TIMING: 1125000 CPU: 4470.2, 0.00394858/step Wall: 4470.2, 0.00394858/step, 1.50814 hours remaining, 113.675781 MB of memory in use. ENERGY: 1125000 670.4489 1850.2641 2003.2169 108.7546 0.2216 -1095.3338 0.0000 0.0000 2753.8720 6291.4443 304.1728 3537.5723 6327.4181 301.8863 PRESSURE: 1125200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1125200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1125200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1125200 0 0 0 0 0 0 0 0 0 TIMING: 1125200 CPU: 4470.99, 0.00394926/step Wall: 4470.99, 0.00394926/step, 1.50818 hours remaining, 113.675781 MB of memory in use. ENERGY: 1125200 663.5925 1833.1816 2015.9325 113.8227 0.0920 -1064.0078 0.0000 0.0000 2738.9823 6301.5958 302.5282 3562.6135 6336.7446 302.3400 PRESSURE: 1125400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1125400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1125400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1125400 0 0 0 0 0 0 0 0 0 TIMING: 1125400 CPU: 4471.78, 0.00394844/step Wall: 4471.78, 0.00394844/step, 1.50765 hours remaining, 113.675781 MB of memory in use. ENERGY: 1125400 684.4801 1839.2079 2009.2852 129.0540 -0.0146 -1081.4058 0.0000 0.0000 2707.7396 6288.3463 299.0774 3580.6067 6319.4663 302.2480 PRESSURE: 1125600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1125600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1125600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1125600 0 0 0 0 0 0 0 0 0 TIMING: 1125600 CPU: 4472.57, 0.00394863/step Wall: 4472.57, 0.00394863/step, 1.5075 hours remaining, 113.675781 MB of memory in use. ENERGY: 1125600 629.3212 1817.7071 1999.8104 105.6356 0.1149 -1035.1924 0.0000 0.0000 2766.2152 6283.6120 305.5362 3517.3967 6315.7115 301.1262 PRESSURE: 1125800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1125800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1125800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1125800 0 0 0 0 0 0 0 0 0 TIMING: 1125800 CPU: 4473.36, 0.00394428/step Wall: 4473.36, 0.00394428/step, 1.50562 hours remaining, 113.675781 MB of memory in use. ENERGY: 1125800 668.9488 1844.0072 1980.7169 110.7884 -0.2147 -1031.2005 0.0000 0.0000 2692.7026 6265.7486 297.4165 3573.0460 6294.8616 301.5546 PRESSURE: 1126000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1126000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1126000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1126000 0 0 0 0 0 0 0 0 0 TIMING: 1126000 CPU: 4474.15, 0.00394718/step Wall: 4474.15, 0.00394718/step, 1.50651 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1126000 602.1153 1880.5973 1991.5591 104.2114 1.1837 -1040.8081 0.0000 0.0000 2722.0483 6260.9069 300.6578 3538.8586 6293.6528 300.4178 PRESSURE: 1126200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1126200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1126200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1126200 0 0 0 0 0 0 0 0 0 TIMING: 1126200 CPU: 4474.94, 0.00394799/step Wall: 4474.94, 0.00394799/step, 1.5066 hours remaining, 113.675781 MB of memory in use. ENERGY: 1126200 700.2325 1861.9870 2003.7346 108.3184 2.0131 -1074.1513 0.0000 0.0000 2698.8756 6301.0100 298.0983 3602.1344 6332.3456 301.5186 PRESSURE: 1126400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1126400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1126400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1126400 0 0 0 0 0 0 0 0 0 TIMING: 1126400 CPU: 4475.73, 0.00394863/step Wall: 4475.73, 0.00394863/step, 1.50662 hours remaining, 113.675781 MB of memory in use. ENERGY: 1126400 650.4670 1815.3117 1974.9110 111.4890 1.8941 -1041.8604 0.0000 0.0000 2782.6939 6294.9062 307.3563 3512.2124 6332.1735 304.1999 PRESSURE: 1126600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1126600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1126600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1126600 0 0 0 0 0 0 0 0 0 TIMING: 1126600 CPU: 4483.2, 0.037344/step Wall: 4483.2, 0.037344/step, 14.2467 hours remaining, 113.675781 MB of memory in use. ENERGY: 1126600 661.1923 1777.9192 2003.7219 125.9975 3.1999 -1107.6731 0.0000 0.0000 2783.5434 6247.9010 307.4501 3464.3576 6282.7507 301.9782 PRESSURE: 1126800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1126800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1126800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1126800 0 0 0 0 0 0 0 0 0 TIMING: 1126800 CPU: 4484.01, 0.00404758/step Wall: 4484.01, 0.00404758/step, 1.54393 hours remaining, 113.675781 MB of memory in use. ENERGY: 1126800 644.7438 1852.3910 1993.5335 111.6901 2.7366 -1036.7747 0.0000 0.0000 2750.4507 6318.7711 303.7949 3568.3204 6351.5526 303.7641 PRESSURE: 1127000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1127000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1127000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1127000 0 0 0 0 0 0 0 0 0 TIMING: 1127000 CPU: 4484.8, 0.00395574/step Wall: 4484.8, 0.00395574/step, 1.50868 hours remaining, 113.675781 MB of memory in use. ENERGY: 1127000 667.8672 1866.5999 1986.2656 109.1168 2.1395 -1075.2808 0.0000 0.0000 2807.9641 6364.6723 310.1475 3556.7083 6398.2852 306.6184 PRESSURE: 1127200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1127200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1127200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1127200 0 0 0 0 0 0 0 0 0 TIMING: 1127200 CPU: 4485.59, 0.00395175/step Wall: 4485.59, 0.00395175/step, 1.50693 hours remaining, 113.675781 MB of memory in use. ENERGY: 1127200 700.2267 1854.0079 2030.3783 119.8061 1.6054 -1079.9515 0.0000 0.0000 2714.2840 6340.3570 299.8002 3626.0730 6371.5395 306.9990 PRESSURE: 1127400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1127400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1127400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1127400 0 0 0 0 0 0 0 0 0 TIMING: 1127400 CPU: 4486.38, 0.00394621/step Wall: 4486.38, 0.00394621/step, 1.5046 hours remaining, 113.675781 MB of memory in use. ENERGY: 1127400 657.6078 1896.7662 1978.7582 116.8995 1.0964 -1091.5147 0.0000 0.0000 2743.4945 6303.1080 303.0266 3559.6135 6335.1735 304.6746 PRESSURE: 1127600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1127600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1127600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1127600 0 0 0 0 0 0 0 0 0 TIMING: 1127600 CPU: 4487.17, 0.00395184/step Wall: 4487.17, 0.00395184/step, 1.50653 hours remaining, 113.675781 MB of memory in use. ENERGY: 1127600 657.0576 1849.6173 2017.1546 114.3549 1.5049 -1102.7088 0.0000 0.0000 2725.3806 6262.3612 301.0259 3536.9805 6293.7480 303.8404 PRESSURE: 1127800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1127800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1127800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1127800 0 0 0 0 0 0 0 0 0 TIMING: 1127800 CPU: 4487.96, 0.00395044/step Wall: 4487.96, 0.00395045/step, 1.50578 hours remaining, 113.675781 MB of memory in use. ENERGY: 1127800 664.8909 1818.9294 1970.5346 124.2500 1.8313 -1074.4734 0.0000 0.0000 2735.8063 6241.7692 302.1774 3505.9628 6273.9785 302.0447 PRESSURE: 1128000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1128000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1128000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1128000 0 0 0 0 0 0 0 0 0 TIMING: 1128000 CPU: 4488.75, 0.00394965/step Wall: 4488.75, 0.00394965/step, 1.50526 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1128000 675.0482 1826.6783 1980.8921 117.1133 1.3720 -1096.4231 0.0000 0.0000 2713.3571 6218.0379 299.6978 3504.6808 6249.8599 300.2682 PRESSURE: 1128200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1128200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1128200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1128200 0 0 0 0 0 0 0 0 0 TIMING: 1128200 CPU: 4489.54, 0.0039504/step Wall: 4489.54, 0.0039504/step, 1.50532 hours remaining, 113.675781 MB of memory in use. ENERGY: 1128200 673.7601 1844.2453 1973.5045 105.2397 3.1607 -1091.3495 0.0000 0.0000 2696.9566 6205.5174 297.8864 3508.5608 6239.8326 300.7652 LDB: ============= START OF LOAD BALANCING ============== 4492.5 LDB: ============== END OF LOAD BALANCING =============== 4492.5 LDB: =============== DONE WITH MIGRATION ================ 4492.5 LDB: ============= START OF LOAD BALANCING ============== 4492.89 LDB: ============== END OF LOAD BALANCING =============== 4492.89 LDB: =============== DONE WITH MIGRATION ================ 4492.89 PRESSURE: 1128400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1128400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1128400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1128400 0 0 0 0 0 0 0 0 0 TIMING: 1128400 CPU: 4490.33, 0.00394944/step Wall: 4490.33, 0.00394944/step, 1.50474 hours remaining, 113.675781 MB of memory in use. ENERGY: 1128400 639.8268 1828.3648 1963.7059 102.9643 1.9720 -1035.5036 0.0000 0.0000 2726.1196 6227.4499 301.1075 3501.3303 6261.1697 299.9252 PRESSURE: 1128600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1128600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1128600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1128600 0 0 0 0 0 0 0 0 0 TIMING: 1128600 CPU: 4491.12, 0.00394984/step Wall: 4491.12, 0.00394984/step, 1.50467 hours remaining, 113.675781 MB of memory in use. ENERGY: 1128600 657.6720 1872.1950 1953.0356 91.8895 0.9036 -1057.2632 0.0000 0.0000 2744.1199 6262.5523 303.0957 3518.4325 6295.4627 300.6988 PRESSURE: 1128800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1128800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1128800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1128800 0 0 0 0 0 0 0 0 0 TIMING: 1128800 CPU: 4491.91, 0.003949/step Wall: 4491.91, 0.003949/step, 1.50413 hours remaining, 113.675781 MB of memory in use. ENERGY: 1128800 699.0401 1851.5262 1980.1465 109.4082 2.5671 -1088.3374 0.0000 0.0000 2733.5372 6287.8880 301.9268 3554.3508 6321.0779 303.8409 PRESSURE: 1129000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1129000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1129000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1129000 0 0 0 0 0 0 0 0 0 TIMING: 1129000 CPU: 4492.7, 0.00394934/step Wall: 4492.7, 0.00394934/step, 1.50404 hours remaining, 113.675781 MB of memory in use. ENERGY: 1129000 637.2995 1847.9159 1995.1904 110.4833 1.8276 -1039.0207 0.0000 0.0000 2757.2000 6310.8959 304.5404 3553.6959 6341.2175 302.4707 PRESSURE: 1129200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1129200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1129200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1129200 0 0 0 0 0 0 0 0 0 TIMING: 1129200 CPU: 4493.49, 0.00394678/step Wall: 4493.49, 0.00394678/step, 1.50285 hours remaining, 113.675781 MB of memory in use. ENERGY: 1129200 670.6434 1854.4224 1972.3769 106.1002 1.9514 -1080.5873 0.0000 0.0000 2766.3276 6291.2345 305.5486 3524.9069 6326.0472 303.5364 PRESSURE: 1129400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1129400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1129400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1129400 0 0 0 0 0 0 0 0 0 TIMING: 1129400 CPU: 4494.28, 0.00395043/step Wall: 4494.28, 0.00395043/step, 1.50402 hours remaining, 113.675781 MB of memory in use. ENERGY: 1129400 676.9003 1823.5663 1968.6199 104.7484 2.4037 -1074.3878 0.0000 0.0000 2724.2347 6226.0856 300.8993 3501.8509 6259.8639 302.7765 PRESSURE: 1129600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1129600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1129600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1129600 0 0 0 0 0 0 0 0 0 TIMING: 1129600 CPU: 4495.07, 0.00395239/step Wall: 4495.07, 0.00395239/step, 1.50454 hours remaining, 113.675781 MB of memory in use. ENERGY: 1129600 677.6928 1776.4316 1972.1874 106.5739 2.1382 -1045.9809 0.0000 0.0000 2756.5885 6245.6315 304.4729 3489.0430 6279.6980 299.1417 PRESSURE: 1129800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1129800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1129800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1129800 0 0 0 0 0 0 0 0 0 TIMING: 1129800 CPU: 4495.86, 0.00395266/step Wall: 4495.86, 0.00395266/step, 1.50442 hours remaining, 113.675781 MB of memory in use. ENERGY: 1129800 686.4122 1850.0210 1953.0980 113.5337 2.2685 -1069.5196 0.0000 0.0000 2727.6106 6263.4245 301.2722 3535.8139 6297.7485 300.6861 PRESSURE: 1130000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1130000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1130000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1130000 0 0 0 0 0 0 0 0 0 TIMING: 1130000 CPU: 4496.65, 0.00395365/step Wall: 4496.65, 0.00395365/step, 1.50459 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1130000 630.5534 1813.4204 1959.2014 106.0993 1.8054 -1052.2078 0.0000 0.0000 2764.5534 6223.4255 305.3526 3458.8721 6259.1669 301.9163 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1130000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1130000 WRITING COORDINATES TO RESTART FILE AT STEP 1130000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1130000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1130200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1130200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1130200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1130200 0 0 0 0 0 0 0 0 0 TIMING: 1130200 CPU: 4497.64, 0.00492523/step Wall: 4497.64, 0.00492523/step, 1.87405 hours remaining, 113.675781 MB of memory in use. ENERGY: 1130200 620.8341 1843.1045 1984.0107 100.9165 2.3247 -1056.0552 0.0000 0.0000 2736.3277 6231.4630 302.2350 3495.1353 6266.1478 300.0005 PRESSURE: 1130400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1130400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1130400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1130400 0 0 0 0 0 0 0 0 0 TIMING: 1130400 CPU: 4498.43, 0.00394603/step Wall: 4498.43, 0.00394603/step, 1.50124 hours remaining, 113.675781 MB of memory in use. ENERGY: 1130400 634.8220 1853.3056 1968.1400 124.6429 2.3714 -1089.4068 0.0000 0.0000 2741.7265 6235.6015 302.8313 3493.8750 6269.8466 299.3160 PRESSURE: 1130600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1130600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1130600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1130600 0 0 0 0 0 0 0 0 0 TIMING: 1130600 CPU: 4499.22, 0.0039557/step Wall: 4499.22, 0.0039557/step, 1.5047 hours remaining, 113.675781 MB of memory in use. ENERGY: 1130600 630.6707 1895.4961 1968.6199 117.4674 2.4937 -1068.2904 0.0000 0.0000 2705.0252 6251.4826 298.7776 3546.4574 6283.8878 301.4498 PRESSURE: 1130800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1130800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1130800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1130800 0 0 0 0 0 0 0 0 0 TIMING: 1130800 CPU: 4500.01, 0.00394833/step Wall: 4500.01, 0.00394833/step, 1.50168 hours remaining, 113.675781 MB of memory in use. ENERGY: 1130800 646.0809 1833.0753 1988.1938 109.2691 1.7570 -1099.5542 0.0000 0.0000 2745.8637 6224.6856 303.2883 3478.8219 6261.7949 299.1812 PRESSURE: 1131000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1131000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1131000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1131000 0 0 0 0 0 0 0 0 0 TIMING: 1131000 CPU: 4500.8, 0.00394987/step Wall: 4500.8, 0.00394987/step, 1.50205 hours remaining, 113.675781 MB of memory in use. ENERGY: 1131000 670.2973 1810.0192 1982.1765 119.6769 1.9971 -1054.1414 0.0000 0.0000 2708.6917 6238.7173 299.1825 3530.0255 6272.4948 299.6319 PRESSURE: 1131200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1131200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1131200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1131200 0 0 0 0 0 0 0 0 0 TIMING: 1131200 CPU: 4501.59, 0.00394946/step Wall: 4501.59, 0.00394946/step, 1.50167 hours remaining, 113.675781 MB of memory in use. ENERGY: 1131200 635.3945 1897.0322 1975.4903 115.8050 1.9813 -1090.4067 0.0000 0.0000 2707.9345 6243.2311 299.0989 3535.2966 6275.8991 301.2223 PRESSURE: 1131400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1131400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1131400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1131400 0 0 0 0 0 0 0 0 0 TIMING: 1131400 CPU: 4502.38, 0.00394871/step Wall: 4502.38, 0.00394871/step, 1.50117 hours remaining, 113.675781 MB of memory in use. ENERGY: 1131400 633.1667 1841.6354 1974.0140 127.6408 0.9821 -1087.1693 0.0000 0.0000 2772.7467 6263.0163 306.2576 3490.2696 6297.7382 303.4646 PRESSURE: 1131600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1131600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1131600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1131600 0 0 0 0 0 0 0 0 0 TIMING: 1131600 CPU: 4503.17, 0.00394836/step Wall: 4503.17, 0.00394835/step, 1.50081 hours remaining, 113.675781 MB of memory in use. ENERGY: 1131600 670.1029 1894.3910 1987.6864 118.2226 1.5593 -1062.9138 0.0000 0.0000 2690.0166 6299.0650 297.1198 3609.0483 6330.0219 302.8340 PRESSURE: 1131800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1131800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1131800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1131800 0 0 0 0 0 0 0 0 0 TIMING: 1131800 CPU: 4503.96, 0.00395036/step Wall: 4503.96, 0.00395037/step, 1.50136 hours remaining, 113.675781 MB of memory in use. ENERGY: 1131800 642.2920 1892.8792 2003.5357 109.2508 2.0266 -1074.5674 0.0000 0.0000 2763.1582 6338.5750 305.1985 3575.4169 6371.0770 303.6800 PRESSURE: 1132000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1132000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1132000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1132000 0 0 0 0 0 0 0 0 0 TIMING: 1132000 CPU: 4504.75, 0.0039499/step Wall: 4504.75, 0.0039499/step, 1.50096 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1132000 657.1486 1877.2576 1990.7718 117.0323 2.4031 -1072.9897 0.0000 0.0000 2778.8070 6350.4307 306.9270 3571.6236 6382.4286 308.5189 PRESSURE: 1132200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1132200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1132200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1132200 0 0 0 0 0 0 0 0 0 TIMING: 1132200 CPU: 4505.53, 0.00394656/step Wall: 4505.53, 0.00394656/step, 1.49947 hours remaining, 113.675781 MB of memory in use. ENERGY: 1132200 640.9386 1830.3043 1994.8839 121.5970 2.4043 -1064.7563 0.0000 0.0000 2721.6382 6247.0100 300.6125 3525.3717 6280.4513 303.1139 LDB: ============= START OF LOAD BALANCING ============== 4508.49 LDB: ============== END OF LOAD BALANCING =============== 4508.49 LDB: =============== DONE WITH MIGRATION ================ 4508.49 LDB: ============= START OF LOAD BALANCING ============== 4508.89 LDB: ============== END OF LOAD BALANCING =============== 4508.89 LDB: =============== DONE WITH MIGRATION ================ 4508.89 PRESSURE: 1132400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1132400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1132400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1132400 0 0 0 0 0 0 0 0 0 TIMING: 1132400 CPU: 4506.33, 0.00395317/step Wall: 4506.33, 0.00395317/step, 1.50177 hours remaining, 113.675781 MB of memory in use. ENERGY: 1132400 688.7945 1836.0623 1978.4058 107.4834 1.8959 -1078.6283 0.0000 0.0000 2709.9708 6243.9844 299.3238 3534.0136 6278.4858 302.1761 PRESSURE: 1132600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1132600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1132600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1132600 0 0 0 0 0 0 0 0 0 TIMING: 1132600 CPU: 4507.12, 0.00394904/step Wall: 4507.12, 0.00394904/step, 1.49998 hours remaining, 113.675781 MB of memory in use. ENERGY: 1132600 671.4649 1800.5260 1992.3088 117.0915 0.4054 -1073.0391 0.0000 0.0000 2751.8555 6260.6131 303.9501 3508.7576 6295.0801 303.5470 PRESSURE: 1132800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1132800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1132800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1132800 0 0 0 0 0 0 0 0 0 TIMING: 1132800 CPU: 4507.9, 0.00394747/step Wall: 4507.9, 0.00394747/step, 1.49916 hours remaining, 113.675781 MB of memory in use. ENERGY: 1132800 664.3157 1834.2730 1968.6671 107.9875 0.1155 -1099.3699 0.0000 0.0000 2745.9468 6221.9358 303.2975 3475.9890 6257.9473 301.7851 PRESSURE: 1133000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1133000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1133000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1133000 0 0 0 0 0 0 0 0 0 TIMING: 1133000 CPU: 4508.69, 0.00394807/step Wall: 4508.69, 0.00394807/step, 1.49917 hours remaining, 113.675781 MB of memory in use. ENERGY: 1133000 665.3935 1802.5430 1995.6085 114.7903 0.2177 -1095.9633 0.0000 0.0000 2741.7341 6224.3238 302.8322 3482.5896 6259.4325 299.9312 PRESSURE: 1133200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1133200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1133200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1133200 0 0 0 0 0 0 0 0 0 TIMING: 1133200 CPU: 4509.48, 0.00394533/step Wall: 4509.48, 0.00394533/step, 1.49791 hours remaining, 113.675781 MB of memory in use. ENERGY: 1133200 680.1051 1839.8104 1985.5450 103.5182 0.9795 -1110.7556 0.0000 0.0000 2743.7834 6242.9859 303.0585 3499.2025 6277.5352 300.6594 PRESSURE: 1133400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1133400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1133400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1133400 0 0 0 0 0 0 0 0 0 TIMING: 1133400 CPU: 4510.27, 0.00394827/step Wall: 4510.27, 0.00394827/step, 1.49881 hours remaining, 113.675781 MB of memory in use. ENERGY: 1133400 667.3363 1832.7127 1984.6544 98.1275 1.1426 -1082.4115 0.0000 0.0000 2728.3612 6229.9231 301.3551 3501.5620 6262.8122 300.7150 PRESSURE: 1133600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1133600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1133600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1133600 0 0 0 0 0 0 0 0 0 TIMING: 1133600 CPU: 4511.06, 0.00394919/step Wall: 4511.06, 0.00394919/step, 1.49894 hours remaining, 113.675781 MB of memory in use. ENERGY: 1133600 658.5310 1875.4076 1991.4519 115.1144 2.2000 -1065.2363 0.0000 0.0000 2647.6790 6225.1477 292.4435 3577.4687 6258.8618 299.6820 PRESSURE: 1133800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1133800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1133800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1133800 0 0 0 0 0 0 0 0 0 TIMING: 1133800 CPU: 4511.85, 0.00394681/step Wall: 4511.85, 0.00394681/step, 1.49781 hours remaining, 113.675781 MB of memory in use. ENERGY: 1133800 639.3945 1918.0142 1980.4964 101.2868 1.4542 -1112.2092 0.0000 0.0000 2720.4840 6248.9210 300.4850 3528.4369 6278.9214 300.0718 PRESSURE: 1134000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1134000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1134000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1134000 0 0 0 0 0 0 0 0 0 TIMING: 1134000 CPU: 4512.64, 0.00394814/step Wall: 4512.64, 0.00394814/step, 1.4981 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1134000 659.3032 1867.5891 1967.2701 102.4034 1.6616 -1097.2785 0.0000 0.0000 2746.6934 6247.6422 303.3799 3500.9488 6281.4253 303.0657 PRESSURE: 1134200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1134200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1134200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1134200 0 0 0 0 0 0 0 0 0 TIMING: 1134200 CPU: 4513.43, 0.0039437/step Wall: 4513.43, 0.0039437/step, 1.4962 hours remaining, 113.675781 MB of memory in use. ENERGY: 1134200 684.4684 1892.3598 2010.9601 115.8155 1.0054 -1122.4966 0.0000 0.0000 2717.3620 6299.4747 300.1402 3582.1126 6332.0774 303.9326 PRESSURE: 1134400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1134400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1134400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1134400 0 0 0 0 0 0 0 0 0 TIMING: 1134400 CPU: 4514.22, 0.00394635/step Wall: 4514.22, 0.00394635/step, 1.49698 hours remaining, 113.675781 MB of memory in use. ENERGY: 1134400 650.5332 1867.3105 1990.9406 96.6230 1.5749 -1080.8453 0.0000 0.0000 2722.8404 6248.9773 300.7453 3526.1369 6279.5240 302.0605 PRESSURE: 1134600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1134600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1134600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1134600 0 0 0 0 0 0 0 0 0 TIMING: 1134600 CPU: 4515.01, 0.00394588/step Wall: 4515.01, 0.00394588/step, 1.49658 hours remaining, 113.675781 MB of memory in use. ENERGY: 1134600 651.1136 1873.0498 1984.7057 120.2560 1.7962 -1074.2018 0.0000 0.0000 2732.7751 6289.4946 301.8426 3556.7195 6318.4799 302.6727 PRESSURE: 1134800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1134800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1134800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1134800 0 0 0 0 0 0 0 0 0 TIMING: 1134800 CPU: 4515.8, 0.0039475/step Wall: 4515.8, 0.0039475/step, 1.49698 hours remaining, 113.675781 MB of memory in use. ENERGY: 1134800 656.9210 1863.0308 1991.2938 115.9249 1.5825 -1086.9861 0.0000 0.0000 2773.5879 6315.3548 306.3505 3541.7669 6350.8891 304.4472 PRESSURE: 1135000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1135000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1135000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1135000 0 0 0 0 0 0 0 0 0 TIMING: 1135000 CPU: 4516.59, 0.00394767/step Wall: 4516.59, 0.00394767/step, 1.49682 hours remaining, 113.675781 MB of memory in use. ENERGY: 1135000 654.1160 1836.5937 2008.3606 113.8449 1.9647 -1066.5418 0.0000 0.0000 2737.5397 6285.8779 302.3689 3548.3382 6319.5555 302.5969 PRESSURE: 1135200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1135200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1135200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1135200 0 0 0 0 0 0 0 0 0 TIMING: 1135200 CPU: 4517.38, 0.00394419/step Wall: 4517.38, 0.00394419/step, 1.49529 hours remaining, 113.675781 MB of memory in use. ENERGY: 1135200 668.2406 1845.7015 1989.8576 102.4719 1.5475 -1070.9681 0.0000 0.0000 2716.9437 6253.7946 300.0940 3536.8510 6286.0580 301.5537 PRESSURE: 1135400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1135400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1135400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1135400 0 0 0 0 0 0 0 0 0 TIMING: 1135400 CPU: 4518.17, 0.00394641/step Wall: 4518.17, 0.00394641/step, 1.49591 hours remaining, 113.675781 MB of memory in use. ENERGY: 1135400 637.8029 1841.4471 1981.8131 92.7884 1.1949 -1070.1715 0.0000 0.0000 2768.5365 6253.4114 305.7926 3484.8749 6289.0942 301.7056 PRESSURE: 1135600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1135600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1135600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1135600 0 0 0 0 0 0 0 0 0 TIMING: 1135600 CPU: 4518.96, 0.00394612/step Wall: 4518.96, 0.00394612/step, 1.49558 hours remaining, 113.675781 MB of memory in use. ENERGY: 1135600 659.4232 1839.8547 1973.8981 101.6319 0.6408 -1078.7748 0.0000 0.0000 2687.1619 6183.8358 296.8045 3496.6738 6216.0461 300.9028 PRESSURE: 1135800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1135800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1135800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1135800 0 0 0 0 0 0 0 0 0 TIMING: 1135800 CPU: 4519.75, 0.00394817/step Wall: 4519.75, 0.00394817/step, 1.49614 hours remaining, 113.675781 MB of memory in use. ENERGY: 1135800 641.3185 1828.5040 1960.2157 114.6836 1.7927 -1064.8927 0.0000 0.0000 2726.9500 6208.5718 301.1992 3481.6218 6244.3163 297.7792 PRESSURE: 1136000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1136000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1136000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1136000 0 0 0 0 0 0 0 0 0 TIMING: 1136000 CPU: 4520.53, 0.00394433/step Wall: 4520.53, 0.00394433/step, 1.49446 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1136000 650.7872 1830.5362 1989.4309 94.1399 2.4966 -1049.4658 0.0000 0.0000 2666.9590 6184.8840 294.5730 3517.9250 6217.1149 298.0917 PRESSURE: 1136200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1136200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1136200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1136200 0 0 0 0 0 0 0 0 0 TIMING: 1136200 CPU: 4521.32, 0.00394886/step Wall: 4521.32, 0.00394886/step, 1.49596 hours remaining, 113.675781 MB of memory in use. ENERGY: 1136200 642.8986 1827.0915 1978.6401 100.1807 2.0395 -1086.2821 0.0000 0.0000 2707.8553 6172.4236 299.0902 3464.5683 6208.0155 297.3215 LDB: ============= START OF LOAD BALANCING ============== 4524.28 LDB: ============== END OF LOAD BALANCING =============== 4524.28 LDB: =============== DONE WITH MIGRATION ================ 4524.28 LDB: ============= START OF LOAD BALANCING ============== 4524.68 LDB: ============== END OF LOAD BALANCING =============== 4524.68 LDB: =============== DONE WITH MIGRATION ================ 4524.68 PRESSURE: 1136400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1136400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1136400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1136400 0 0 0 0 0 0 0 0 0 TIMING: 1136400 CPU: 4522.11, 0.0039513/step Wall: 4522.11, 0.0039513/step, 1.49666 hours remaining, 113.675781 MB of memory in use. ENERGY: 1136400 657.3109 1841.7037 1975.8045 105.3471 1.1087 -1061.2385 0.0000 0.0000 2687.4879 6207.5243 296.8405 3520.0364 6243.1406 297.6698 PRESSURE: 1136600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1136600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1136600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1136600 0 0 0 0 0 0 0 0 0 TIMING: 1136600 CPU: 4522.9, 0.0039463/step Wall: 4522.9, 0.0039463/step, 1.49455 hours remaining, 113.675781 MB of memory in use. ENERGY: 1136600 642.7387 1837.2215 1964.2272 108.7212 1.7004 -1020.4029 0.0000 0.0000 2623.9392 6158.1453 289.8214 3534.2061 6189.9750 297.5567 PRESSURE: 1136800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1136800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1136800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1136800 0 0 0 0 0 0 0 0 0 TIMING: 1136800 CPU: 4523.69, 0.0039494/step Wall: 4523.69, 0.0039494/step, 1.49551 hours remaining, 113.675781 MB of memory in use. ENERGY: 1136800 655.8754 1858.7056 1953.2548 97.0415 1.3961 -1076.0973 0.0000 0.0000 2667.2074 6157.3835 294.6005 3490.1760 6192.1316 295.6992 PRESSURE: 1137000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1137000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1137000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1137000 0 0 0 0 0 0 0 0 0 TIMING: 1137000 CPU: 4524.48, 0.00394472/step Wall: 4524.48, 0.00394472/step, 1.49351 hours remaining, 113.675781 MB of memory in use. ENERGY: 1137000 650.7024 1881.5555 1964.2051 110.0406 1.7797 -1084.5643 0.0000 0.0000 2677.1027 6200.8216 295.6935 3523.7189 6236.9569 295.8291 PRESSURE: 1137200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1137200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1137200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1137200 0 0 0 0 0 0 0 0 0 TIMING: 1137200 CPU: 4525.27, 0.00394848/step Wall: 4525.27, 0.00394848/step, 1.49472 hours remaining, 113.675781 MB of memory in use. ENERGY: 1137200 625.0117 1852.0127 1983.2903 104.6316 2.4350 -1076.1959 0.0000 0.0000 2726.6553 6217.8406 301.1667 3491.1853 6254.2223 300.2085 PRESSURE: 1137400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1137400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1137400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1137400 0 0 0 0 0 0 0 0 0 TIMING: 1137400 CPU: 4526.06, 0.00394742/step Wall: 4526.06, 0.00394742/step, 1.4941 hours remaining, 113.675781 MB of memory in use. ENERGY: 1137400 661.0889 1858.4837 1980.6678 115.9195 3.4526 -1060.0889 0.0000 0.0000 2704.5946 6264.1183 298.7300 3559.5237 6294.0241 300.7864 PRESSURE: 1137600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1137600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1137600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1137600 0 0 0 0 0 0 0 0 0 TIMING: 1137600 CPU: 4526.85, 0.00394668/step Wall: 4526.85, 0.00394668/step, 1.4936 hours remaining, 113.675781 MB of memory in use. ENERGY: 1137600 669.2024 1824.4571 1952.8873 101.7133 2.8976 -1084.0500 0.0000 0.0000 2827.9177 6295.0254 312.3514 3467.1077 6332.5482 300.2654 PRESSURE: 1137800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1137800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1137800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1137800 0 0 0 0 0 0 0 0 0 TIMING: 1137800 CPU: 4527.64, 0.00394818/step Wall: 4527.64, 0.00394818/step, 1.49395 hours remaining, 113.675781 MB of memory in use. ENERGY: 1137800 674.5787 1842.0710 1989.2336 111.9653 2.2190 -1060.5910 0.0000 0.0000 2755.6619 6315.1384 304.3705 3559.4765 6348.2912 303.3571 PRESSURE: 1138000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1138000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1138000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1138000 0 0 0 0 0 0 0 0 0 TIMING: 1138000 CPU: 4528.43, 0.00394522/step Wall: 4528.43, 0.00394522/step, 1.49261 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1138000 660.8613 1870.1160 1962.6160 103.4137 1.7952 -1068.1522 0.0000 0.0000 2744.3250 6274.9749 303.1183 3530.6500 6309.4555 303.4529 PRESSURE: 1138200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1138200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1138200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1138200 0 0 0 0 0 0 0 0 0 TIMING: 1138200 CPU: 4529.22, 0.00394812/step Wall: 4529.22, 0.00394812/step, 1.49349 hours remaining, 113.675781 MB of memory in use. ENERGY: 1138200 688.2908 1835.1175 2014.4757 116.2192 0.8843 -1089.0829 0.0000 0.0000 2686.6761 6252.5807 296.7509 3565.9046 6285.5506 298.6977 PRESSURE: 1138400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1138400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1138400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1138400 0 0 0 0 0 0 0 0 0 TIMING: 1138400 CPU: 4530.01, 0.00394712/step Wall: 4530.01, 0.00394712/step, 1.49289 hours remaining, 113.675781 MB of memory in use. ENERGY: 1138400 682.4987 1835.1937 1957.3290 112.0427 1.1756 -1025.2084 0.0000 0.0000 2735.5200 6298.5513 302.1458 3563.0313 6330.2096 300.4222 PRESSURE: 1138600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1138600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1138600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1138600 0 0 0 0 0 0 0 0 0 TIMING: 1138600 CPU: 4530.8, 0.00394918/step Wall: 4530.8, 0.00394918/step, 1.49345 hours remaining, 113.675781 MB of memory in use. ENERGY: 1138600 675.2937 1810.5506 2018.9795 105.3453 2.7719 -1044.7219 0.0000 0.0000 2753.3375 6321.5566 304.1138 3568.2191 6357.4265 303.2299 PRESSURE: 1138800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1138800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1138800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1138800 0 0 0 0 0 0 0 0 0 TIMING: 1138800 CPU: 4531.59, 0.00395017/step Wall: 4531.59, 0.00395017/step, 1.4936 hours remaining, 113.675781 MB of memory in use. ENERGY: 1138800 663.1333 1798.8209 2028.1090 112.2076 2.6601 -1054.0051 0.0000 0.0000 2778.9079 6329.8338 306.9381 3550.9259 6364.0069 304.8766 PRESSURE: 1139000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1139000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1139000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1139000 0 0 0 0 0 0 0 0 0 TIMING: 1139000 CPU: 4532.38, 0.00394685/step Wall: 4532.38, 0.00394684/step, 1.49213 hours remaining, 113.675781 MB of memory in use. ENERGY: 1139000 659.5936 1808.1345 1979.0270 118.4583 2.2925 -1001.3434 0.0000 0.0000 2768.3619 6334.5242 305.7733 3566.1624 6366.0699 304.9070 PRESSURE: 1139200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1139200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1139200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1139200 0 0 0 0 0 0 0 0 0 TIMING: 1139200 CPU: 4533.17, 0.00395002/step Wall: 4533.17, 0.00395002/step, 1.49311 hours remaining, 113.675781 MB of memory in use. ENERGY: 1139200 670.0325 1884.9167 2010.2373 102.6951 2.8018 -1099.2044 0.0000 0.0000 2740.6186 6312.0976 302.7090 3571.4790 6343.2766 305.1821 PRESSURE: 1139400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1139400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1139400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1139400 0 0 0 0 0 0 0 0 0 TIMING: 1139400 CPU: 4533.96, 0.0039494/step Wall: 4533.96, 0.0039494/step, 1.49266 hours remaining, 113.675781 MB of memory in use. ENERGY: 1139400 658.4192 1817.0625 1981.1629 112.0419 1.0061 -1055.7496 0.0000 0.0000 2770.0444 6283.9875 305.9591 3513.9431 6316.0577 303.6616 PRESSURE: 1139600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1139600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1139600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1139600 0 0 0 0 0 0 0 0 0 TIMING: 1139600 CPU: 4534.75, 0.00395076/step Wall: 4534.75, 0.00395076/step, 1.49295 hours remaining, 113.675781 MB of memory in use. ENERGY: 1139600 671.0431 1854.8681 1981.9229 116.3817 0.3076 -1076.4650 0.0000 0.0000 2708.6928 6256.7512 299.1827 3548.0583 6289.1620 300.7177 PRESSURE: 1139800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1139800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1139800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1139800 0 0 0 0 0 0 0 0 0 TIMING: 1139800 CPU: 4535.54, 0.00394713/step Wall: 4535.54, 0.00394713/step, 1.49136 hours remaining, 113.675781 MB of memory in use. ENERGY: 1139800 669.0444 1854.9666 1977.6589 106.8968 0.9684 -1067.3015 0.0000 0.0000 2765.2083 6307.4417 305.4250 3542.2334 6344.3277 301.8861 PRESSURE: 1140000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1140000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1140000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1140000 0 0 0 0 0 0 0 0 0 TIMING: 1140000 CPU: 4536.33, 0.0039503/step Wall: 4536.33, 0.0039503/step, 1.49234 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1140000 636.3225 1907.2465 1995.5313 117.9315 0.3267 -1042.4017 0.0000 0.0000 2773.7126 6388.6692 306.3643 3614.9566 6424.7673 306.0767 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1140000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1140000 WRITING COORDINATES TO RESTART FILE AT STEP 1140000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1140000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1140200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1140200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1140200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1140200 0 0 0 0 0 0 0 0 0 TIMING: 1140200 CPU: 4541.56, 0.0261499/step Wall: 4541.56, 0.0261499/step, 9.87738 hours remaining, 113.675781 MB of memory in use. ENERGY: 1140200 667.5255 1862.0664 2013.0350 105.8603 1.6568 -1083.9835 0.0000 0.0000 2798.1921 6364.3526 309.0681 3566.1605 6398.1991 307.1773 LDB: ============= START OF LOAD BALANCING ============== 4544.52 LDB: ============== END OF LOAD BALANCING =============== 4544.52 LDB: =============== DONE WITH MIGRATION ================ 4544.52 LDB: ============= START OF LOAD BALANCING ============== 4544.91 LDB: ============== END OF LOAD BALANCING =============== 4544.91 LDB: =============== DONE WITH MIGRATION ================ 4544.91 PRESSURE: 1140400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1140400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1140400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1140400 0 0 0 0 0 0 0 0 0 TIMING: 1140400 CPU: 4542.35, 0.00395795/step Wall: 4542.35, 0.00395795/step, 1.49479 hours remaining, 113.675781 MB of memory in use. ENERGY: 1140400 700.9024 1881.2489 1990.9512 117.9612 0.8063 -1088.8335 0.0000 0.0000 2789.2824 6392.3189 308.0840 3603.0364 6428.1651 306.7970 PRESSURE: 1140600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1140600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1140600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1140600 0 0 0 0 0 0 0 0 0 TIMING: 1140600 CPU: 4543.14, 0.00396199/step Wall: 4543.14, 0.00396199/step, 1.49609 hours remaining, 113.675781 MB of memory in use. ENERGY: 1140600 663.7244 1899.9818 1960.8024 100.8086 0.2283 -1014.6436 0.0000 0.0000 2723.4626 6334.3646 300.8140 3610.9020 6365.8108 305.5483 PRESSURE: 1140800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1140800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1140800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1140800 0 0 0 0 0 0 0 0 0 TIMING: 1140800 CPU: 4543.93, 0.0039509/step Wall: 4543.93, 0.0039509/step, 1.49168 hours remaining, 113.675781 MB of memory in use. ENERGY: 1140800 681.6739 1838.7522 1960.7375 120.1306 1.6170 -1046.5144 0.0000 0.0000 2810.2493 6366.6460 310.3999 3556.3968 6400.5978 306.5467 PRESSURE: 1141000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1141000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1141000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1141000 0 0 0 0 0 0 0 0 0 TIMING: 1141000 CPU: 4544.72, 0.00395051/step Wall: 4544.72, 0.00395051/step, 1.49132 hours remaining, 113.675781 MB of memory in use. ENERGY: 1141000 637.0656 1851.6413 1995.9163 114.4288 2.7064 -1067.7014 0.0000 0.0000 2785.1452 6319.2022 307.6270 3534.0570 6354.1909 305.5939 PRESSURE: 1141200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1141200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1141200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1141200 0 0 0 0 0 0 0 0 0 TIMING: 1141200 CPU: 4545.51, 0.0039467/step Wall: 4545.51, 0.0039467/step, 1.48966 hours remaining, 113.675781 MB of memory in use. ENERGY: 1141200 680.1781 1853.3015 1972.1676 121.7255 1.6784 -1117.5500 0.0000 0.0000 2781.8098 6293.3110 307.2586 3511.5012 6327.2002 304.8910 PRESSURE: 1141400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1141400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1141400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1141400 0 0 0 0 0 0 0 0 0 TIMING: 1141400 CPU: 4546.3, 0.00394663/step Wall: 4546.3, 0.00394664/step, 1.48942 hours remaining, 113.675781 MB of memory in use. ENERGY: 1141400 644.1440 1957.1715 1969.1017 100.1106 2.6284 -1095.6620 0.0000 0.0000 2702.0483 6279.5425 298.4488 3577.4942 6312.7104 303.3720 PRESSURE: 1141600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1141600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1141600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1141600 0 0 0 0 0 0 0 0 0 TIMING: 1141600 CPU: 4547.09, 0.00394771/step Wall: 4547.09, 0.00394771/step, 1.4896 hours remaining, 113.675781 MB of memory in use. ENERGY: 1141600 658.5198 1866.0030 1969.7154 117.4722 1.2978 -1076.3029 0.0000 0.0000 2683.5809 6220.2862 296.4090 3536.7053 6252.0912 300.7810 PRESSURE: 1141800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1141800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1141800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1141800 0 0 0 0 0 0 0 0 0 TIMING: 1141800 CPU: 4547.88, 0.00394657/step Wall: 4547.88, 0.00394657/step, 1.48895 hours remaining, 113.675781 MB of memory in use. ENERGY: 1141800 664.9157 1834.3917 1980.9596 113.0884 2.6268 -1067.1921 0.0000 0.0000 2652.1640 6180.9542 292.9389 3528.7901 6212.5508 297.1425 PRESSURE: 1142000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1142000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1142000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1142000 0 0 0 0 0 0 0 0 0 TIMING: 1142000 CPU: 4548.67, 0.00394679/step Wall: 4548.67, 0.00394679/step, 1.48882 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1142000 651.6644 1835.1564 1992.3393 106.3779 2.3255 -1089.0525 0.0000 0.0000 2672.9430 6171.7539 295.2340 3498.8109 6202.6972 298.2584 PRESSURE: 1142200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1142200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1142200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1142200 0 0 0 0 0 0 0 0 0 TIMING: 1142200 CPU: 4549.46, 0.00394621/step Wall: 4549.46, 0.00394621/step, 1.48838 hours remaining, 113.675781 MB of memory in use. ENERGY: 1142200 622.1565 1802.8870 1989.0585 105.0424 2.7037 -1046.0123 0.0000 0.0000 2720.5203 6196.3559 300.4890 3475.8357 6227.9864 296.5565 PRESSURE: 1142400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1142400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1142400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1142400 0 0 0 0 0 0 0 0 0 TIMING: 1142400 CPU: 4550.25, 0.00394595/step Wall: 4550.25, 0.00394595/step, 1.48806 hours remaining, 113.675781 MB of memory in use. ENERGY: 1142400 662.1811 1822.3028 2033.0527 109.5636 1.3465 -1077.9563 0.0000 0.0000 2634.0210 6184.5114 290.9350 3550.4904 6215.4346 296.0996 PRESSURE: 1142600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1142600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1142600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1142600 0 0 0 0 0 0 0 0 0 TIMING: 1142600 CPU: 4551.04, 0.00394709/step Wall: 4551.04, 0.00394709/step, 1.48827 hours remaining, 113.675781 MB of memory in use. ENERGY: 1142600 645.3297 1860.1824 2012.9153 104.4519 2.6082 -1063.1352 0.0000 0.0000 2705.2952 6267.6476 298.8074 3562.3524 6295.4288 299.1466 PRESSURE: 1142800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1142800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1142800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1142800 0 0 0 0 0 0 0 0 0 TIMING: 1142800 CPU: 4551.83, 0.00394567/step Wall: 4551.83, 0.00394567/step, 1.48752 hours remaining, 113.675781 MB of memory in use. ENERGY: 1142800 626.2602 1859.4687 2006.2458 104.2521 1.6761 -1058.2471 0.0000 0.0000 2699.7757 6239.4315 298.1977 3539.6558 6272.1266 301.6469 PRESSURE: 1143000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1143000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1143000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1143000 0 0 0 0 0 0 0 0 0 TIMING: 1143000 CPU: 4552.61, 0.00394509/step Wall: 4552.61, 0.00394509/step, 1.48708 hours remaining, 113.675781 MB of memory in use. ENERGY: 1143000 657.4175 1772.6797 2007.7489 97.0289 1.7877 -1040.8596 0.0000 0.0000 2749.1379 6244.9410 303.6499 3495.8031 6277.4375 300.8009 PRESSURE: 1143200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1143200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1143200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1143200 0 0 0 0 0 0 0 0 0 TIMING: 1143200 CPU: 4553.4, 0.00394396/step Wall: 4553.4, 0.00394396/step, 1.48643 hours remaining, 113.675781 MB of memory in use. ENERGY: 1143200 677.0778 1772.0955 2009.7860 110.7656 1.8265 -1073.0456 0.0000 0.0000 2759.2727 6257.7785 304.7694 3498.5058 6290.2121 300.6747 PRESSURE: 1143400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1143400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1143400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1143400 0 0 0 0 0 0 0 0 0 TIMING: 1143400 CPU: 4554.19, 0.00394502/step Wall: 4554.19, 0.00394502/step, 1.48661 hours remaining, 113.675781 MB of memory in use. ENERGY: 1143400 646.5221 1859.3481 1982.3025 109.3130 4.2593 -1060.6166 0.0000 0.0000 2733.5652 6274.6935 301.9299 3541.1283 6307.5344 301.2618 PRESSURE: 1143600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1143600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1143600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1143600 0 0 0 0 0 0 0 0 0 TIMING: 1143600 CPU: 4554.98, 0.00394646/step Wall: 4554.98, 0.00394646/step, 1.48694 hours remaining, 113.675781 MB of memory in use. ENERGY: 1143600 660.4056 1799.5429 1990.0335 109.5712 2.2590 -1056.8858 0.0000 0.0000 2767.6194 6272.5457 305.6913 3504.9263 6309.4265 300.6670 PRESSURE: 1143800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1143800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1143800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1143800 0 0 0 0 0 0 0 0 0 TIMING: 1143800 CPU: 4555.77, 0.00394775/step Wall: 4555.77, 0.00394775/step, 1.4872 hours remaining, 113.675781 MB of memory in use. ENERGY: 1143800 663.6949 1765.4626 1992.8981 110.8671 2.0837 -1051.8201 0.0000 0.0000 2715.4641 6198.6505 299.9306 3483.1864 6231.0206 298.5783 PRESSURE: 1144000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1144000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1144000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1144000 0 0 0 0 0 0 0 0 0 TIMING: 1144000 CPU: 4556.56, 0.00394514/step Wall: 4556.56, 0.00394514/step, 1.486 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1144000 633.7147 1820.4684 1985.1076 108.1360 0.9674 -1095.6094 0.0000 0.0000 2683.3300 6136.1147 296.3813 3452.7847 6165.8728 297.2963 PRESSURE: 1144200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1144200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1144200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1144200 0 0 0 0 0 0 0 0 0 TIMING: 1144200 CPU: 4557.35, 0.00394583/step Wall: 4557.35, 0.00394583/step, 1.48604 hours remaining, 113.675781 MB of memory in use. ENERGY: 1144200 654.7018 1791.7335 2011.5864 85.2734 2.6583 -1054.6068 0.0000 0.0000 2676.3916 6167.7383 295.6149 3491.3467 6198.1323 296.6083 LDB: ============= START OF LOAD BALANCING ============== 4560.31 LDB: ============== END OF LOAD BALANCING =============== 4560.31 LDB: =============== DONE WITH MIGRATION ================ 4560.31 LDB: ============= START OF LOAD BALANCING ============== 4560.7 LDB: ============== END OF LOAD BALANCING =============== 4560.7 LDB: =============== DONE WITH MIGRATION ================ 4560.7 PRESSURE: 1144400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1144400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1144400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1144400 0 0 0 0 0 0 0 0 0 TIMING: 1144400 CPU: 4558.14, 0.00395321/step Wall: 4558.14, 0.00395321/step, 1.4886 hours remaining, 113.675781 MB of memory in use. ENERGY: 1144400 670.1880 1784.3272 1988.5639 114.2687 1.1446 -1060.4731 0.0000 0.0000 2672.9408 6170.9601 295.2338 3498.0193 6202.2283 297.3576 PRESSURE: 1144600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1144600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1144600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1144600 0 0 0 0 0 0 0 0 0 TIMING: 1144600 CPU: 4558.93, 0.00395082/step Wall: 4558.93, 0.00395082/step, 1.48749 hours remaining, 113.675781 MB of memory in use. ENERGY: 1144600 672.3827 1807.2775 1959.7690 112.6207 0.6753 -1065.5720 0.0000 0.0000 2708.6185 6195.7717 299.1745 3487.1532 6227.1064 298.2200 PRESSURE: 1144800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1144800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1144800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1144800 0 0 0 0 0 0 0 0 0 TIMING: 1144800 CPU: 4559.72, 0.00395072/step Wall: 4559.72, 0.00395072/step, 1.48723 hours remaining, 113.675781 MB of memory in use. ENERGY: 1144800 648.7466 1781.7425 2013.7973 114.0719 0.4638 -1038.4444 0.0000 0.0000 2734.1217 6254.4994 301.9914 3520.3778 6288.2644 299.1586 PRESSURE: 1145000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1145000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1145000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1145000 0 0 0 0 0 0 0 0 0 TIMING: 1145000 CPU: 4560.51, 0.00394631/step Wall: 4560.51, 0.00394631/step, 1.48535 hours remaining, 113.675781 MB of memory in use. ENERGY: 1145000 671.8823 1841.2788 1964.7961 111.9653 0.5356 -1075.3198 0.0000 0.0000 2770.2261 6285.3644 305.9792 3515.1383 6320.8944 300.7779 PRESSURE: 1145200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1145200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1145200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1145200 0 0 0 0 0 0 0 0 0 TIMING: 1145200 CPU: 4561.3, 0.00395174/step Wall: 4561.3, 0.00395174/step, 1.48717 hours remaining, 113.675781 MB of memory in use. ENERGY: 1145200 646.4538 1903.5611 1972.1028 110.3951 1.8200 -1069.9456 0.0000 0.0000 2778.9075 6343.2949 306.9381 3564.3873 6377.3848 303.8896 PRESSURE: 1145400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1145400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1145400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1145400 0 0 0 0 0 0 0 0 0 TIMING: 1145400 CPU: 4562.09, 0.00395048/step Wall: 4562.09, 0.00395048/step, 1.48648 hours remaining, 113.675781 MB of memory in use. ENERGY: 1145400 659.2396 1880.8637 1969.0805 105.5973 0.3234 -1047.5780 0.0000 0.0000 2745.7915 6313.3180 303.2803 3567.5266 6348.1835 305.8336 PRESSURE: 1145600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1145600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1145600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1145600 0 0 0 0 0 0 0 0 0 TIMING: 1145600 CPU: 4562.88, 0.00394802/step Wall: 4562.88, 0.00394801/step, 1.48533 hours remaining, 113.675781 MB of memory in use. ENERGY: 1145600 667.6146 1854.3624 1970.7884 112.1792 -0.6668 -1074.1476 0.0000 0.0000 2749.5010 6279.6313 303.6900 3530.1303 6313.4477 303.7599 PRESSURE: 1145800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1145800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1145800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1145800 0 0 0 0 0 0 0 0 0 TIMING: 1145800 CPU: 4563.67, 0.00394848/step Wall: 4563.67, 0.00394849/step, 1.48529 hours remaining, 113.675781 MB of memory in use. ENERGY: 1145800 627.1456 1802.5568 1977.6180 120.6759 2.2767 -1077.2695 0.0000 0.0000 2752.3887 6205.3920 304.0090 3453.0033 6240.9705 299.9538 PRESSURE: 1146000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1146000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1146000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1146000 0 0 0 0 0 0 0 0 0 TIMING: 1146000 CPU: 4564.46, 0.00394363/step Wall: 4564.46, 0.00394363/step, 1.48324 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1146000 686.7473 1840.7297 1977.9584 104.8251 -0.5414 -1095.4959 0.0000 0.0000 2692.8835 6207.1067 297.4365 3514.2232 6238.8737 299.3915 PRESSURE: 1146200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1146200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1146200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1146200 0 0 0 0 0 0 0 0 0 TIMING: 1146200 CPU: 4565.25, 0.0039488/step Wall: 4565.25, 0.0039488/step, 1.48497 hours remaining, 113.675781 MB of memory in use. ENERGY: 1146200 633.4220 1860.6904 1956.1287 91.9371 0.7773 -1094.0805 0.0000 0.0000 2713.7327 6162.6076 299.7393 3448.8750 6193.8567 298.7726 PRESSURE: 1146400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1146400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1146400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1146400 0 0 0 0 0 0 0 0 0 TIMING: 1146400 CPU: 4566.04, 0.00394933/step Wall: 4566.04, 0.00394933/step, 1.48495 hours remaining, 113.675781 MB of memory in use. ENERGY: 1146400 672.2277 1859.1960 1970.0617 112.5545 1.3419 -1085.6365 0.0000 0.0000 2688.2742 6218.0196 296.9274 3529.7454 6251.8598 299.4323 PRESSURE: 1146600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1146600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1146600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1146600 0 0 0 0 0 0 0 0 0 TIMING: 1146600 CPU: 4566.83, 0.00395129/step Wall: 4566.83, 0.00395129/step, 1.48547 hours remaining, 113.675781 MB of memory in use. ENERGY: 1146600 629.7002 1920.6040 1973.4904 104.4059 1.5030 -1106.3320 0.0000 0.0000 2688.6269 6211.9984 296.9663 3523.3715 6245.1468 300.0106 PRESSURE: 1146800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1146800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1146800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1146800 0 0 0 0 0 0 0 0 0 TIMING: 1146800 CPU: 4567.62, 0.0039469/step Wall: 4567.62, 0.0039469/step, 1.4836 hours remaining, 113.675781 MB of memory in use. ENERGY: 1146800 671.0361 1826.2342 1975.5177 123.1037 0.8439 -1114.0071 0.0000 0.0000 2695.0025 6177.7309 297.6705 3482.7284 6211.9004 299.5400 PRESSURE: 1147000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1147000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1147000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1147000 0 0 0 0 0 0 0 0 0 TIMING: 1147000 CPU: 4568.41, 0.00395153/step Wall: 4568.41, 0.00395153/step, 1.48512 hours remaining, 113.675781 MB of memory in use. ENERGY: 1147000 640.4905 1866.0453 1982.6770 104.5146 1.7896 -1096.5074 0.0000 0.0000 2671.0582 6170.0678 295.0258 3499.0096 6204.2835 298.0835 PRESSURE: 1147200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1147200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1147200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1147200 0 0 0 0 0 0 0 0 0 TIMING: 1147200 CPU: 4569.2, 0.00395289/step Wall: 4569.2, 0.00395289/step, 1.48541 hours remaining, 113.675781 MB of memory in use. ENERGY: 1147200 674.2532 1848.5394 1944.9802 117.6077 1.7355 -1076.1192 0.0000 0.0000 2678.3598 6189.3566 295.8323 3510.9968 6223.8705 298.2390 PRESSURE: 1147400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1147400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1147400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1147400 0 0 0 0 0 0 0 0 0 TIMING: 1147400 CPU: 4569.99, 0.00394959/step Wall: 4569.99, 0.00394959/step, 1.48395 hours remaining, 113.675781 MB of memory in use. ENERGY: 1147400 649.7325 1827.0353 1960.8542 106.1327 1.8559 -1072.2827 0.0000 0.0000 2696.9657 6170.2935 297.8874 3473.3278 6204.6300 298.1621 PRESSURE: 1147600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1147600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1147600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1147600 0 0 0 0 0 0 0 0 0 TIMING: 1147600 CPU: 4570.78, 0.00395064/step Wall: 4570.78, 0.00395064/step, 1.48412 hours remaining, 113.675781 MB of memory in use. ENERGY: 1147600 641.5764 1836.1425 1983.6373 112.2707 1.2207 -1067.8628 0.0000 0.0000 2659.7210 6166.7059 293.7736 3506.9848 6199.3618 298.5047 PRESSURE: 1147800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1147800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1147800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1147800 0 0 0 0 0 0 0 0 0 TIMING: 1147800 CPU: 4571.57, 0.00394646/step Wall: 4571.57, 0.00394645/step, 1.48233 hours remaining, 113.675781 MB of memory in use. ENERGY: 1147800 624.2263 1847.1637 1979.2113 115.9504 1.6097 -1074.8774 0.0000 0.0000 2677.3920 6170.6760 295.7254 3493.2840 6202.7812 296.0089 PRESSURE: 1148000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1148000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1148000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1148000 0 0 0 0 0 0 0 0 0 TIMING: 1148000 CPU: 4572.36, 0.00395044/step Wall: 4572.36, 0.00395045/step, 1.48361 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1148000 656.8297 1825.0493 1944.4675 95.0407 1.1895 -1063.5576 0.0000 0.0000 2697.8977 6156.9168 297.9903 3459.0191 6188.1982 297.3507 PRESSURE: 1148200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1148200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1148200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1148200 0 0 0 0 0 0 0 0 0 TIMING: 1148200 CPU: 4573.15, 0.00395144/step Wall: 4573.15, 0.00395144/step, 1.48377 hours remaining, 113.675781 MB of memory in use. ENERGY: 1148200 638.3342 1801.4082 1981.8282 120.8971 1.5684 -1083.5481 0.0000 0.0000 2685.3820 6145.8700 296.6079 3460.4880 6179.0653 296.0823 LDB: ============= START OF LOAD BALANCING ============== 4576.11 LDB: ============== END OF LOAD BALANCING =============== 4576.11 LDB: =============== DONE WITH MIGRATION ================ 4576.11 LDB: ============= START OF LOAD BALANCING ============== 4576.5 LDB: ============== END OF LOAD BALANCING =============== 4576.5 LDB: =============== DONE WITH MIGRATION ================ 4576.5 PRESSURE: 1148400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1148400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1148400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1148400 0 0 0 0 0 0 0 0 0 TIMING: 1148400 CPU: 4573.94, 0.00395555/step Wall: 4573.94, 0.00395555/step, 1.48509 hours remaining, 113.675781 MB of memory in use. ENERGY: 1148400 670.2113 1848.7964 1995.2386 103.9948 1.5364 -1096.8630 0.0000 0.0000 2706.3514 6229.2658 298.9240 3522.9145 6261.6013 298.6803 PRESSURE: 1148600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1148600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1148600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1148600 0 0 0 0 0 0 0 0 0 TIMING: 1148600 CPU: 4574.73, 0.00395082/step Wall: 4574.73, 0.00395082/step, 1.48309 hours remaining, 113.675781 MB of memory in use. ENERGY: 1148600 637.8295 1855.9769 1966.8431 98.7078 1.4055 -1101.1444 0.0000 0.0000 2733.0265 6192.6449 301.8704 3459.6184 6226.8495 298.9015 PRESSURE: 1148800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1148800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1148800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1148800 0 0 0 0 0 0 0 0 0 TIMING: 1148800 CPU: 4575.52, 0.00394611/step Wall: 4575.52, 0.00394611/step, 1.48111 hours remaining, 113.675781 MB of memory in use. ENERGY: 1148800 652.9703 1856.7843 1992.8347 108.5179 0.9779 -1140.7204 0.0000 0.0000 2731.8498 6203.2144 301.7404 3471.3646 6238.4902 300.2036 PRESSURE: 1149000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1149000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1149000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1149000 0 0 0 0 0 0 0 0 0 TIMING: 1149000 CPU: 4576.31, 0.00395041/step Wall: 4576.31, 0.00395041/step, 1.4825 hours remaining, 113.675781 MB of memory in use. ENERGY: 1149000 684.0166 1808.3447 1989.7860 114.8904 -0.5964 -1082.9580 0.0000 0.0000 2711.5257 6225.0089 299.4956 3513.4832 6256.7710 299.8449 PRESSURE: 1149200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1149200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1149200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1149200 0 0 0 0 0 0 0 0 0 TIMING: 1149200 CPU: 4577.1, 0.00395153/step Wall: 4577.1, 0.00395153/step, 1.4827 hours remaining, 113.675781 MB of memory in use. ENERGY: 1149200 653.0406 1801.1237 1990.1781 98.7892 1.8807 -1092.3153 0.0000 0.0000 2685.1073 6137.8042 296.5776 3452.6969 6170.2441 297.5847 PRESSURE: 1149400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1149400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1149400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1149400 0 0 0 0 0 0 0 0 0 TIMING: 1149400 CPU: 4577.89, 0.0039504/step Wall: 4577.89, 0.0039504/step, 1.48206 hours remaining, 113.675781 MB of memory in use. ENERGY: 1149400 632.5979 1830.3049 1977.0908 103.7393 2.0902 -1108.3379 0.0000 0.0000 2737.9771 6175.4622 302.4172 3437.4852 6209.6295 296.9647 PRESSURE: 1149600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1149600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1149600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1149600 0 0 0 0 0 0 0 0 0 TIMING: 1149600 CPU: 4578.68, 0.00395191/step Wall: 4578.68, 0.00395191/step, 1.48241 hours remaining, 113.675781 MB of memory in use. ENERGY: 1149600 648.7088 1888.0017 1975.2961 112.9248 0.8174 -1064.7199 0.0000 0.0000 2685.1591 6246.1880 296.5833 3561.0289 6277.4889 300.6050 PRESSURE: 1149800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1149800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1149800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1149800 0 0 0 0 0 0 0 0 0 TIMING: 1149800 CPU: 4579.47, 0.00394943/step Wall: 4579.47, 0.00394943/step, 1.48126 hours remaining, 113.675781 MB of memory in use. ENERGY: 1149800 627.3168 1834.1291 1984.5985 107.0094 1.6953 -1070.7795 0.0000 0.0000 2756.3710 6240.3405 304.4489 3483.9696 6276.8022 301.3137 PRESSURE: 1150000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1150000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1150000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1150000 0 0 0 0 0 0 0 0 0 TIMING: 1150000 CPU: 4580.26, 0.00395005/step Wall: 4580.26, 0.00395005/step, 1.48127 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1150000 670.5492 1836.2719 2006.2893 120.6792 0.7247 -1076.0368 0.0000 0.0000 2755.9230 6314.4005 304.3994 3558.4775 6347.5314 304.0667 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1150000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1150000 WRITING COORDINATES TO RESTART FILE AT STEP 1150000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1150000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1150200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1150200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1150200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1150200 0 0 0 0 0 0 0 0 0 TIMING: 1150200 CPU: 4582.83, 0.0128335/step Wall: 4582.83, 0.0128335/step, 4.81186 hours remaining, 113.675781 MB of memory in use. ENERGY: 1150200 680.0954 1847.8052 1969.3943 107.6681 1.0740 -1104.3431 0.0000 0.0000 2769.8611 6271.5550 305.9389 3501.6939 6302.8446 303.6787 PRESSURE: 1150400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1150400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1150400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1150400 0 0 0 0 0 0 0 0 0 TIMING: 1150400 CPU: 4583.62, 0.00395255/step Wall: 4583.62, 0.00395255/step, 1.48177 hours remaining, 113.675781 MB of memory in use. ENERGY: 1150400 660.3029 1827.5613 1990.3588 120.9883 1.5229 -1063.5317 0.0000 0.0000 2731.2768 6268.4793 301.6771 3537.2025 6301.0786 301.3884 PRESSURE: 1150600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1150600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1150600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1150600 0 0 0 0 0 0 0 0 0 TIMING: 1150600 CPU: 4584.41, 0.00394968/step Wall: 4584.41, 0.00394968/step, 1.48047 hours remaining, 113.675781 MB of memory in use. ENERGY: 1150600 632.0511 1876.8445 1958.9949 100.6483 1.4885 -1055.3482 0.0000 0.0000 2714.6171 6229.2962 299.8370 3514.6791 6264.3888 300.9756 PRESSURE: 1150800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1150800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1150800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1150800 0 0 0 0 0 0 0 0 0 TIMING: 1150800 CPU: 4585.2, 0.00395151/step Wall: 4585.2, 0.00395151/step, 1.48094 hours remaining, 113.675781 MB of memory in use. ENERGY: 1150800 647.6107 1863.3888 1941.3712 114.0910 1.8830 -1081.0587 0.0000 0.0000 2694.5891 6181.8752 297.6249 3487.2861 6215.9656 298.4440 PRESSURE: 1151000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1151000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1151000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1151000 0 0 0 0 0 0 0 0 0 TIMING: 1151000 CPU: 4585.99, 0.00394924/step Wall: 4585.99, 0.00394924/step, 1.47987 hours remaining, 113.675781 MB of memory in use. ENERGY: 1151000 622.6715 1841.9975 1995.8562 103.4358 1.3600 -1077.4989 0.0000 0.0000 2713.0487 6200.8706 299.6638 3487.8219 6234.9196 297.6156 PRESSURE: 1151200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1151200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1151200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1151200 0 0 0 0 0 0 0 0 0 TIMING: 1151200 CPU: 4586.78, 0.0039494/step Wall: 4586.78, 0.0039494/step, 1.47971 hours remaining, 113.675781 MB of memory in use. ENERGY: 1151200 620.3689 1830.2287 1967.1202 100.3156 2.1954 -1108.0276 0.0000 0.0000 2714.4842 6126.6853 299.8223 3412.2012 6162.6079 297.5144 PRESSURE: 1151400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1151400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1151400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1151400 0 0 0 0 0 0 0 0 0 TIMING: 1151400 CPU: 4587.57, 0.00394588/step Wall: 4587.57, 0.00394588/step, 1.47817 hours remaining, 113.675781 MB of memory in use. ENERGY: 1151400 606.0057 1810.7813 1992.4624 116.8743 1.1888 -1055.1212 0.0000 0.0000 2656.0722 6128.2636 293.3706 3472.1913 6160.5896 294.0212 PRESSURE: 1151600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1151600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1151600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1151600 0 0 0 0 0 0 0 0 0 TIMING: 1151600 CPU: 4588.36, 0.00395001/step Wall: 4588.36, 0.00395001/step, 1.4795 hours remaining, 113.675781 MB of memory in use. ENERGY: 1151600 613.3628 1834.9889 1989.3119 108.7201 1.2301 -1049.1901 0.0000 0.0000 2648.2226 6146.6462 292.5036 3498.4236 6181.7600 293.6311 PRESSURE: 1151800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1151800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1151800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1151800 0 0 0 0 0 0 0 0 0 TIMING: 1151800 CPU: 4589.15, 0.00395052/step Wall: 4589.15, 0.00395052/step, 1.47947 hours remaining, 113.675781 MB of memory in use. ENERGY: 1151800 636.7682 1839.1797 1992.1664 103.8043 2.2538 -1097.6450 0.0000 0.0000 2680.1630 6156.6903 296.0315 3476.5273 6189.7802 294.7208 PRESSURE: 1152000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1152000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1152000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1152000 0 0 0 0 0 0 0 0 0 TIMING: 1152000 CPU: 4589.94, 0.00395103/step Wall: 4589.94, 0.00395103/step, 1.47944 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1152000 615.3458 1771.4806 1968.2237 91.8192 1.8930 -1053.6201 0.0000 0.0000 2710.7719 6105.9141 299.4123 3395.1422 6142.4480 295.2544 PRESSURE: 1152200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1152200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1152200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1152200 0 0 0 0 0 0 0 0 0 TIMING: 1152200 CPU: 4590.73, 0.00394958/step Wall: 4590.73, 0.00394958/step, 1.47868 hours remaining, 113.675781 MB of memory in use. ENERGY: 1152200 654.4822 1816.7610 1970.2438 101.6450 1.3154 -1077.3518 0.0000 0.0000 2691.9400 6159.0356 297.3323 3467.0955 6190.8083 294.3722 LDB: ============= START OF LOAD BALANCING ============== 4593.68 LDB: ============== END OF LOAD BALANCING =============== 4593.68 LDB: =============== DONE WITH MIGRATION ================ 4593.68 LDB: ============= START OF LOAD BALANCING ============== 4594.08 LDB: ============== END OF LOAD BALANCING =============== 4594.08 LDB: =============== DONE WITH MIGRATION ================ 4594.08 PRESSURE: 1152400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1152400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1152400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1152400 0 0 0 0 0 0 0 0 0 TIMING: 1152400 CPU: 4591.52, 0.00394887/step Wall: 4591.52, 0.00394887/step, 1.4782 hours remaining, 113.675781 MB of memory in use. ENERGY: 1152400 623.1468 1849.0502 1999.8929 109.1166 1.0164 -1081.9437 0.0000 0.0000 2681.0629 6181.3420 296.1309 3500.2792 6217.5766 297.0008 PRESSURE: 1152600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1152600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1152600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1152600 0 0 0 0 0 0 0 0 0 TIMING: 1152600 CPU: 4592.31, 0.00394858/step Wall: 4592.31, 0.00394858/step, 1.47787 hours remaining, 113.675781 MB of memory in use. ENERGY: 1152600 646.2822 1806.8449 2002.9869 113.5495 0.4453 -1082.9744 0.0000 0.0000 2686.2912 6173.4255 296.7083 3487.1343 6206.9979 296.6375 PRESSURE: 1152800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1152800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1152800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1152800 0 0 0 0 0 0 0 0 0 TIMING: 1152800 CPU: 4593.1, 0.00395002/step Wall: 4593.1, 0.00395002/step, 1.47819 hours remaining, 113.675781 MB of memory in use. ENERGY: 1152800 647.3401 1783.1494 2001.8588 117.7941 -0.6344 -1033.8033 0.0000 0.0000 2705.0973 6220.8020 298.7855 3515.7047 6254.7080 298.0675 PRESSURE: 1153000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1153000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1153000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1153000 0 0 0 0 0 0 0 0 0 TIMING: 1153000 CPU: 4593.88, 0.00394701/step Wall: 4593.88, 0.00394701/step, 1.47684 hours remaining, 113.675781 MB of memory in use. ENERGY: 1153000 667.9963 1827.0052 1997.1574 107.7329 0.3477 -1081.9176 0.0000 0.0000 2699.2707 6217.5925 298.1420 3518.3218 6252.3037 298.6825 PRESSURE: 1153200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1153200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1153200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1153200 0 0 0 0 0 0 0 0 0 TIMING: 1153200 CPU: 4594.67, 0.0039448/step Wall: 4594.67, 0.0039448/step, 1.47579 hours remaining, 113.675781 MB of memory in use. ENERGY: 1153200 639.2562 1780.4129 1969.9064 105.0530 0.5636 -1051.6972 0.0000 0.0000 2767.0745 6210.5695 305.6311 3443.4950 6244.5207 298.3181 PRESSURE: 1153400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1153400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1153400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1153400 0 0 0 0 0 0 0 0 0 TIMING: 1153400 CPU: 4595.46, 0.00394984/step Wall: 4595.46, 0.00394984/step, 1.47746 hours remaining, 113.675781 MB of memory in use. ENERGY: 1153400 682.4782 1772.0901 1990.3927 111.0259 0.6953 -1095.1535 0.0000 0.0000 2770.5734 6232.1020 306.0175 3461.5287 6267.5168 297.2359 PRESSURE: 1153600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1153600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1153600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1153600 0 0 0 0 0 0 0 0 0 TIMING: 1153600 CPU: 4596.25, 0.003949/step Wall: 4596.25, 0.003949/step, 1.47693 hours remaining, 113.675781 MB of memory in use. ENERGY: 1153600 657.1700 1828.9023 1984.6551 105.3373 0.8283 -1088.6671 0.0000 0.0000 2733.0937 6221.3196 301.8778 3488.2259 6252.4437 300.4707 PRESSURE: 1153800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1153800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1153800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1153800 0 0 0 0 0 0 0 0 0 TIMING: 1153800 CPU: 4597.04, 0.00394912/step Wall: 4597.04, 0.00394912/step, 1.47675 hours remaining, 113.675781 MB of memory in use. ENERGY: 1153800 666.2553 1800.2821 2009.5823 115.8542 0.6426 -1100.7419 0.0000 0.0000 2703.3213 6195.1959 298.5894 3491.8746 6227.8159 299.3545 PRESSURE: 1154000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1154000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1154000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1154000 0 0 0 0 0 0 0 0 0 TIMING: 1154000 CPU: 4597.83, 0.00394884/step Wall: 4597.83, 0.00394884/step, 1.47643 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1154000 654.5921 1811.7523 2000.8374 115.5449 0.2727 -1100.5584 0.0000 0.0000 2636.2350 6118.6761 291.1795 3482.4410 6149.4181 296.9216 PRESSURE: 1154200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1154200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1154200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1154200 0 0 0 0 0 0 0 0 0 TIMING: 1154200 CPU: 4598.62, 0.00394485/step Wall: 4598.62, 0.00394485/step, 1.47472 hours remaining, 113.675781 MB of memory in use. ENERGY: 1154200 605.8887 1833.5941 1982.6221 107.3810 0.5633 -1098.3799 0.0000 0.0000 2727.2669 6158.9361 301.2342 3431.6692 6191.9900 293.3959 PRESSURE: 1154400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1154400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1154400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1154400 0 0 0 0 0 0 0 0 0 TIMING: 1154400 CPU: 4599.41, 0.00394893/step Wall: 4599.41, 0.00394893/step, 1.47602 hours remaining, 113.675781 MB of memory in use. ENERGY: 1154400 714.9873 1849.8406 1966.2970 101.2158 1.7139 -1148.6239 0.0000 0.0000 2707.7455 6193.1762 299.0780 3485.4308 6223.3165 297.7737 PRESSURE: 1154600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1154600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1154600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1154600 0 0 0 0 0 0 0 0 0 TIMING: 1154600 CPU: 4600.2, 0.0039497/step Wall: 4600.2, 0.0039497/step, 1.47609 hours remaining, 113.675781 MB of memory in use. ENERGY: 1154600 702.2071 1825.4684 1942.6505 105.4036 1.9781 -1131.9007 0.0000 0.0000 2706.3421 6152.1491 298.9230 3445.8069 6188.8871 297.9923 PRESSURE: 1154800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1154800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1154800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1154800 0 0 0 0 0 0 0 0 0 TIMING: 1154800 CPU: 4600.99, 0.00394984/step Wall: 4600.99, 0.00394984/step, 1.47592 hours remaining, 113.675781 MB of memory in use. ENERGY: 1154800 656.3403 1861.5392 1966.8828 92.3974 2.1304 -1105.0398 0.0000 0.0000 2656.1026 6130.3528 293.3739 3474.2503 6162.6301 294.4269 PRESSURE: 1155000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1155000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1155000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1155000 0 0 0 0 0 0 0 0 0 TIMING: 1155000 CPU: 4601.78, 0.00395025/step Wall: 4601.78, 0.00395025/step, 1.47586 hours remaining, 113.675781 MB of memory in use. ENERGY: 1155000 631.9497 1788.8444 1985.6251 108.3285 1.3524 -1077.1725 0.0000 0.0000 2705.6649 6144.5924 298.8482 3438.9275 6179.1369 296.8940 PRESSURE: 1155200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1155200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1155200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1155200 0 0 0 0 0 0 0 0 0 TIMING: 1155200 CPU: 4602.57, 0.00394511/step Wall: 4602.57, 0.00394511/step, 1.47372 hours remaining, 113.675781 MB of memory in use. ENERGY: 1155200 639.5920 1794.4478 1991.0399 108.6686 0.5805 -1115.4430 0.0000 0.0000 2699.1543 6118.0402 298.1291 3418.8858 6150.5513 293.7192 PRESSURE: 1155400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1155400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1155400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1155400 0 0 0 0 0 0 0 0 0 TIMING: 1155400 CPU: 4603.36, 0.00396125/step Wall: 4603.36, 0.00396125/step, 1.47953 hours remaining, 113.675781 MB of memory in use. ENERGY: 1155400 651.3883 1819.6932 1986.1206 106.4452 1.7931 -1117.6156 0.0000 0.0000 2699.9504 6147.7751 298.2170 3447.8247 6179.1923 294.6912 PRESSURE: 1155600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1155600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1155600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1155600 0 0 0 0 0 0 0 0 0 TIMING: 1155600 CPU: 4604.15, 0.00395412/step Wall: 4604.15, 0.00395412/step, 1.47664 hours remaining, 113.675781 MB of memory in use. ENERGY: 1155600 634.2782 1818.5217 1955.3134 122.4696 1.8329 -1105.8382 0.0000 0.0000 2698.3398 6124.9175 298.0391 3426.5777 6159.8464 294.9217 PRESSURE: 1155800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1155800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1155800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1155800 0 0 0 0 0 0 0 0 0 TIMING: 1155800 CPU: 4604.94, 0.00395131/step Wall: 4604.94, 0.00395131/step, 1.47538 hours remaining, 113.675781 MB of memory in use. ENERGY: 1155800 625.1461 1818.7768 1970.8395 104.4265 2.1839 -1075.6209 0.0000 0.0000 2670.8327 6116.5846 295.0009 3445.7519 6148.3665 293.6334 PRESSURE: 1156000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1156000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1156000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1156000 0 0 0 0 0 0 0 0 0 TIMING: 1156000 CPU: 4605.73, 0.00394876/step Wall: 4605.73, 0.00394876/step, 1.47421 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1156000 643.3652 1815.3399 1977.1321 105.9471 1.8177 -1068.1952 0.0000 0.0000 2676.2513 6151.6582 295.5994 3475.4069 6182.9804 294.9851 PRESSURE: 1156200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1156200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1156200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1156200 0 0 0 0 0 0 0 0 0 TIMING: 1156200 CPU: 4606.52, 0.00394545/step Wall: 4606.52, 0.00394545/step, 1.47275 hours remaining, 113.675781 MB of memory in use. ENERGY: 1156200 639.7789 1794.4361 1976.2372 109.5351 2.5727 -1055.0192 0.0000 0.0000 2679.0724 6146.6132 295.9110 3467.5408 6177.5652 294.2363 LDB: ============= START OF LOAD BALANCING ============== 4609.48 LDB: ============== END OF LOAD BALANCING =============== 4609.48 LDB: =============== DONE WITH MIGRATION ================ 4609.48 LDB: ============= START OF LOAD BALANCING ============== 4609.88 LDB: ============== END OF LOAD BALANCING =============== 4609.88 LDB: =============== DONE WITH MIGRATION ================ 4609.88 PRESSURE: 1156400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1156400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1156400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1156400 0 0 0 0 0 0 0 0 0 TIMING: 1156400 CPU: 4607.31, 0.00395474/step Wall: 4607.31, 0.00395474/step, 1.476 hours remaining, 113.675781 MB of memory in use. ENERGY: 1156400 643.9805 1813.3321 1969.4318 101.5652 2.2061 -1070.9548 0.0000 0.0000 2658.2598 6117.8208 293.6122 3459.5610 6149.8637 293.5395 PRESSURE: 1156600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1156600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1156600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1156600 0 0 0 0 0 0 0 0 0 TIMING: 1156600 CPU: 4608.1, 0.00394925/step Wall: 4608.1, 0.00394925/step, 1.47373 hours remaining, 113.675781 MB of memory in use. ENERGY: 1156600 646.1114 1774.6613 1975.2610 106.2717 2.2515 -1103.1680 0.0000 0.0000 2689.6897 6091.0786 297.0837 3401.3889 6124.2606 294.6064 PRESSURE: 1156800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1156800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1156800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1156800 0 0 0 0 0 0 0 0 0 TIMING: 1156800 CPU: 4608.89, 0.00394769/step Wall: 4608.89, 0.00394768/step, 1.47293 hours remaining, 113.675781 MB of memory in use. ENERGY: 1156800 635.4003 1810.2660 1989.0919 109.3829 1.8329 -1066.2809 0.0000 0.0000 2630.8330 6110.5261 290.5828 3479.6931 6142.5754 295.2720 PRESSURE: 1157000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1157000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1157000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1157000 0 0 0 0 0 0 0 0 0 TIMING: 1157000 CPU: 4609.68, 0.00394382/step Wall: 4609.68, 0.00394382/step, 1.47127 hours remaining, 113.675781 MB of memory in use. ENERGY: 1157000 621.4834 1785.8835 1968.0222 91.9748 0.6399 -1082.5277 0.0000 0.0000 2716.9460 6102.4220 300.0943 3385.4761 6138.0406 294.3532 PRESSURE: 1157200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1157200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1157200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1157200 0 0 0 0 0 0 0 0 0 TIMING: 1157200 CPU: 4610.47, 0.00395/step Wall: 4610.47, 0.00395/step, 1.47335 hours remaining, 113.675781 MB of memory in use. ENERGY: 1157200 631.3017 1826.4821 2001.8312 107.5837 2.6343 -1094.1532 0.0000 0.0000 2634.4734 6110.1531 290.9849 3475.6797 6143.8258 295.1478 PRESSURE: 1157400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1157400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1157400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1157400 0 0 0 0 0 0 0 0 0 TIMING: 1157400 CPU: 4611.26, 0.00395018/step Wall: 4611.26, 0.00395018/step, 1.4732 hours remaining, 113.675781 MB of memory in use. ENERGY: 1157400 649.3725 1859.3468 1988.7907 108.2211 2.3411 -1100.1081 0.0000 0.0000 2635.5393 6143.5033 291.1027 3507.9640 6174.7909 293.8998 PRESSURE: 1157600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1157600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1157600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1157600 0 0 0 0 0 0 0 0 0 TIMING: 1157600 CPU: 4612.05, 0.00394935/step Wall: 4612.05, 0.00394935/step, 1.47267 hours remaining, 113.675781 MB of memory in use. ENERGY: 1157600 624.2339 1803.7136 1995.6321 110.2051 1.2181 -1070.2919 0.0000 0.0000 2678.4078 6143.1187 295.8376 3464.7109 6178.6791 295.1702 PRESSURE: 1157800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1157800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1157800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1157800 0 0 0 0 0 0 0 0 0 TIMING: 1157800 CPU: 4612.84, 0.00394791/step Wall: 4612.84, 0.00394791/step, 1.47191 hours remaining, 113.675781 MB of memory in use. ENERGY: 1157800 609.1966 1790.4914 2019.6304 105.4176 2.1825 -1095.2054 0.0000 0.0000 2703.4930 6135.2060 298.6083 3431.7130 6168.9259 294.8127 PRESSURE: 1158000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1158000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1158000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1158000 0 0 0 0 0 0 0 0 0 TIMING: 1158000 CPU: 4613.63, 0.00394459/step Wall: 4613.63, 0.00394459/step, 1.47046 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1158000 649.4903 1791.5418 1984.6943 107.4043 1.3061 -1085.1273 0.0000 0.0000 2745.7755 6195.0851 303.2786 3449.3095 6227.6317 298.2679 PRESSURE: 1158200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1158200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1158200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1158200 0 0 0 0 0 0 0 0 0 TIMING: 1158200 CPU: 4614.42, 0.00394779/step Wall: 4614.42, 0.00394779/step, 1.47143 hours remaining, 113.675781 MB of memory in use. ENERGY: 1158200 664.3032 1795.3819 2010.3652 114.3909 1.5774 -1077.0803 0.0000 0.0000 2709.4925 6218.4308 299.2710 3508.9383 6252.8347 298.5645 PRESSURE: 1158400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1158400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1158400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1158400 0 0 0 0 0 0 0 0 0 TIMING: 1158400 CPU: 4615.21, 0.00394833/step Wall: 4615.21, 0.00394833/step, 1.47141 hours remaining, 113.675781 MB of memory in use. ENERGY: 1158400 689.7733 1832.4659 2000.5853 109.4457 1.8242 -1097.7317 0.0000 0.0000 2713.5879 6249.9506 299.7233 3536.3627 6280.4052 299.5434 PRESSURE: 1158600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1158600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1158600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1158600 0 0 0 0 0 0 0 0 0 TIMING: 1158600 CPU: 4616, 0.0039505/step Wall: 4616, 0.0039505/step, 1.472 hours remaining, 113.675781 MB of memory in use. ENERGY: 1158600 680.4188 1850.4480 1982.9640 114.6356 -0.5119 -1067.7413 0.0000 0.0000 2708.8667 6269.0800 299.2019 3560.2133 6302.2112 300.8369 PRESSURE: 1158800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1158800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1158800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1158800 0 0 0 0 0 0 0 0 0 TIMING: 1158800 CPU: 4616.79, 0.00394892/step Wall: 4616.79, 0.00394892/step, 1.47119 hours remaining, 113.675781 MB of memory in use. ENERGY: 1158800 670.5016 1857.5265 1975.0557 106.5307 1.2145 -1035.4172 0.0000 0.0000 2727.5448 6302.9564 301.2649 3575.4117 6334.2849 301.5116 PRESSURE: 1159000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1159000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1159000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1159000 0 0 0 0 0 0 0 0 0 TIMING: 1159000 CPU: 4617.58, 0.00394498/step Wall: 4617.58, 0.00394497/step, 1.4695 hours remaining, 113.675781 MB of memory in use. ENERGY: 1159000 711.9465 1859.3023 1970.9810 114.3330 1.0478 -1084.1730 0.0000 0.0000 2740.1033 6313.5410 302.6520 3573.4377 6344.4192 302.6084 PRESSURE: 1159200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1159200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1159200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1159200 0 0 0 0 0 0 0 0 0 TIMING: 1159200 CPU: 4618.37, 0.00394814/step Wall: 4618.37, 0.00394814/step, 1.47046 hours remaining, 113.675781 MB of memory in use. ENERGY: 1159200 624.3194 1929.3733 1984.7119 116.7668 1.1594 -1089.5661 0.0000 0.0000 2730.9268 6297.6914 301.6385 3566.7646 6329.5814 304.0837 PRESSURE: 1159400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1159400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1159400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1159400 0 0 0 0 0 0 0 0 0 TIMING: 1159400 CPU: 4619.16, 0.00395278/step Wall: 4619.16, 0.00395278/step, 1.47197 hours remaining, 113.675781 MB of memory in use. ENERGY: 1159400 649.2821 1848.6121 1986.3569 112.7773 1.5552 -1114.5311 0.0000 0.0000 2762.7760 6246.8285 305.1563 3484.0525 6282.5892 303.2269 PRESSURE: 1159600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1159600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1159600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1159600 0 0 0 0 0 0 0 0 0 TIMING: 1159600 CPU: 4619.95, 0.00394699/step Wall: 4619.95, 0.00394699/step, 1.4696 hours remaining, 113.675781 MB of memory in use. ENERGY: 1159600 604.1129 1863.5383 2002.1139 99.6159 1.0633 -1075.5166 0.0000 0.0000 2730.8196 6225.7473 301.6266 3494.9276 6259.5559 301.9459 PRESSURE: 1159800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1159800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1159800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1159800 0 0 0 0 0 0 0 0 0 TIMING: 1159800 CPU: 4620.74, 0.00394382/step Wall: 4620.74, 0.00394382/step, 1.46819 hours remaining, 113.675781 MB of memory in use. ENERGY: 1159800 662.5875 1867.5666 1995.2063 126.8495 0.8675 -1108.1435 0.0000 0.0000 2691.7863 6236.7201 297.3153 3544.9339 6271.4986 301.3419 PRESSURE: 1160000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1160000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1160000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1160000 0 0 0 0 0 0 0 0 0 TIMING: 1160000 CPU: 4621.53, 0.00394964/step Wall: 4621.53, 0.00394964/step, 1.47015 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1160000 681.7983 1835.2913 1933.4665 107.3761 1.5673 -1073.6095 0.0000 0.0000 2724.3668 6210.2569 300.9139 3485.8901 6244.5103 299.3815 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1160000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1160000 WRITING COORDINATES TO RESTART FILE AT STEP 1160000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1160000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1160200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1160200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1160200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1160200 0 0 0 0 0 0 0 0 0 TIMING: 1160200 CPU: 4622.35, 0.00411183/step Wall: 4622.35, 0.00411183/step, 1.53029 hours remaining, 113.675781 MB of memory in use. ENERGY: 1160200 638.3771 1802.0922 1993.0437 104.4527 2.0530 -1069.8445 0.0000 0.0000 2725.5514 6195.7256 301.0447 3470.1741 6233.1844 297.9580 LDB: ============= START OF LOAD BALANCING ============== 4625.31 LDB: ============== END OF LOAD BALANCING =============== 4625.31 LDB: =============== DONE WITH MIGRATION ================ 4625.31 LDB: ============= START OF LOAD BALANCING ============== 4625.7 LDB: ============== END OF LOAD BALANCING =============== 4625.7 LDB: =============== DONE WITH MIGRATION ================ 4625.7 PRESSURE: 1160400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1160400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1160400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1160400 0 0 0 0 0 0 0 0 0 TIMING: 1160400 CPU: 4623.14, 0.00395341/step Wall: 4623.14, 0.00395341/step, 1.47111 hours remaining, 113.675781 MB of memory in use. ENERGY: 1160400 689.5441 1832.0476 1990.7436 103.1204 1.8305 -1140.4555 0.0000 0.0000 2731.8995 6208.7302 301.7459 3476.8307 6240.7261 298.8220 PRESSURE: 1160600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1160600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1160600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1160600 0 0 0 0 0 0 0 0 0 TIMING: 1160600 CPU: 4623.93, 0.00394786/step Wall: 4623.93, 0.00394786/step, 1.46882 hours remaining, 113.675781 MB of memory in use. ENERGY: 1160600 640.2870 1867.1856 2013.6945 109.8472 1.5803 -1100.4067 0.0000 0.0000 2714.0395 6246.2273 299.7732 3532.1878 6280.2687 300.4766 PRESSURE: 1160800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1160800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1160800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1160800 0 0 0 0 0 0 0 0 0 TIMING: 1160800 CPU: 4624.72, 0.003945/step Wall: 4624.72, 0.003945/step, 1.46754 hours remaining, 113.675781 MB of memory in use. ENERGY: 1160800 664.9914 1864.9666 2008.9752 139.1829 2.7750 -1089.5303 0.0000 0.0000 2674.2346 6265.5954 295.3767 3591.3608 6294.5077 300.4143 PRESSURE: 1161000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1161000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1161000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1161000 0 0 0 0 0 0 0 0 0 TIMING: 1161000 CPU: 4625.51, 0.00394784/step Wall: 4625.51, 0.00394784/step, 1.46838 hours remaining, 113.675781 MB of memory in use. ENERGY: 1161000 669.6047 1816.1867 1981.7047 108.6384 2.4870 -1068.8276 0.0000 0.0000 2761.2778 6271.0717 304.9908 3509.7939 6302.5681 301.8890 PRESSURE: 1161200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1161200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1161200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1161200 0 0 0 0 0 0 0 0 0 TIMING: 1161200 CPU: 4626.3, 0.00394842/step Wall: 4626.3, 0.00394842/step, 1.46837 hours remaining, 113.675781 MB of memory in use. ENERGY: 1161200 647.8638 1847.5618 2001.3370 105.7788 1.4134 -1059.3864 0.0000 0.0000 2733.6060 6278.1744 301.9344 3544.5683 6312.4009 303.1965 PRESSURE: 1161400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1161400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1161400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1161400 0 0 0 0 0 0 0 0 0 TIMING: 1161400 CPU: 4627.09, 0.00394784/step Wall: 4627.09, 0.00394784/step, 1.46794 hours remaining, 113.675781 MB of memory in use. ENERGY: 1161400 670.1308 1838.0702 2018.9184 103.2250 1.4450 -1076.6873 0.0000 0.0000 2684.2059 6239.3080 296.4780 3555.1021 6273.9346 301.0953 PRESSURE: 1161600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1161600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1161600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1161600 0 0 0 0 0 0 0 0 0 TIMING: 1161600 CPU: 4627.88, 0.00394751/step Wall: 4627.88, 0.00394751/step, 1.4676 hours remaining, 113.675781 MB of memory in use. ENERGY: 1161600 670.8198 1863.5872 1970.7900 112.3874 2.1312 -1089.8653 0.0000 0.0000 2695.1636 6225.0139 297.6883 3529.8503 6254.4066 299.6815 PRESSURE: 1161800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1161800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1161800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1161800 0 0 0 0 0 0 0 0 0 TIMING: 1161800 CPU: 4628.67, 0.00394571/step Wall: 4628.67, 0.00394571/step, 1.46671 hours remaining, 113.675781 MB of memory in use. ENERGY: 1161800 648.9652 1848.9743 1971.9560 96.2398 2.6138 -1080.0776 0.0000 0.0000 2771.6812 6260.3528 306.1399 3488.6716 6296.2316 301.5423 PRESSURE: 1162000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1162000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1162000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1162000 0 0 0 0 0 0 0 0 0 TIMING: 1162000 CPU: 4629.46, 0.00395023/step Wall: 4629.46, 0.00395023/step, 1.46817 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1162000 631.9203 1875.8114 1981.7670 111.0723 2.4591 -1077.9079 0.0000 0.0000 2703.5158 6228.6380 298.6108 3525.1223 6261.2778 300.8912 PRESSURE: 1162200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1162200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1162200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1162200 0 0 0 0 0 0 0 0 0 TIMING: 1162200 CPU: 4630.25, 0.00394961/step Wall: 4630.25, 0.00394961/step, 1.46772 hours remaining, 113.675781 MB of memory in use. ENERGY: 1162200 645.7686 1856.8386 2003.7453 107.4234 4.1883 -1085.0722 0.0000 0.0000 2681.6511 6214.5429 296.1958 3532.8918 6247.2160 300.9161 PRESSURE: 1162400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1162400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1162400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1162400 0 0 0 0 0 0 0 0 0 TIMING: 1162400 CPU: 4631.04, 0.00395073/step Wall: 4631.04, 0.00395073/step, 1.46792 hours remaining, 113.675781 MB of memory in use. ENERGY: 1162400 687.2456 1830.6222 1976.8569 112.7619 3.1241 -1092.9545 0.0000 0.0000 2757.2053 6274.8615 304.5410 3517.6562 6308.0281 301.5977 PRESSURE: 1162600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1162600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1162600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1162600 0 0 0 0 0 0 0 0 0 TIMING: 1162600 CPU: 4631.83, 0.00394959/step Wall: 4631.83, 0.00394959/step, 1.46727 hours remaining, 113.675781 MB of memory in use. ENERGY: 1162600 624.5544 1878.4526 1988.7472 96.4766 2.8314 -1080.0717 0.0000 0.0000 2750.0746 6261.0651 303.7534 3510.9904 6292.8703 300.7260 PRESSURE: 1162800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1162800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1162800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1162800 0 0 0 0 0 0 0 0 0 TIMING: 1162800 CPU: 4632.61, 0.00394648/step Wall: 4632.61, 0.00394648/step, 1.4659 hours remaining, 113.675781 MB of memory in use. ENERGY: 1162800 660.1775 1889.5874 1995.9979 113.2700 1.6270 -1114.2087 0.0000 0.0000 2710.5022 6256.9533 299.3825 3546.4510 6290.5157 301.5601 PRESSURE: 1163000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1163000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1163000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1163000 0 0 0 0 0 0 0 0 0 TIMING: 1163000 CPU: 4633.4, 0.00394976/step Wall: 4633.4, 0.00394976/step, 1.4669 hours remaining, 113.675781 MB of memory in use. ENERGY: 1163000 650.8069 1855.4234 1978.9110 101.3865 2.0907 -1086.1260 0.0000 0.0000 2744.7027 6247.1951 303.1601 3502.4925 6279.7117 302.2710 PRESSURE: 1163200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1163200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1163200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1163200 0 0 0 0 0 0 0 0 0 TIMING: 1163200 CPU: 4634.19, 0.00394987/step Wall: 4634.19, 0.00394987/step, 1.46672 hours remaining, 113.675781 MB of memory in use. ENERGY: 1163200 661.2738 1802.7411 2011.4957 106.8451 1.3373 -1087.4195 0.0000 0.0000 2738.8512 6235.1246 302.5137 3496.2735 6268.6684 301.1034 PRESSURE: 1163400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1163400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1163400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1163400 0 0 0 0 0 0 0 0 0 TIMING: 1163400 CPU: 4634.98, 0.00394818/step Wall: 4634.98, 0.00394818/step, 1.46587 hours remaining, 113.675781 MB of memory in use. ENERGY: 1163400 634.8317 1795.4187 1996.0956 103.7668 0.7900 -1083.8271 0.0000 0.0000 2733.7287 6180.8045 301.9480 3447.0758 6214.8517 297.7752 PRESSURE: 1163600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1163600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1163600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1163600 0 0 0 0 0 0 0 0 0 TIMING: 1163600 CPU: 4635.77, 0.00394441/step Wall: 4635.77, 0.00394441/step, 1.46425 hours remaining, 113.675781 MB of memory in use. ENERGY: 1163600 657.9292 1801.8898 2005.0864 110.9362 2.1632 -1085.0914 0.0000 0.0000 2738.6720 6231.5854 302.4939 3492.9135 6263.9466 298.6812 PRESSURE: 1163800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1163800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1163800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1163800 0 0 0 0 0 0 0 0 0 TIMING: 1163800 CPU: 4636.56, 0.00394763/step Wall: 4636.56, 0.00394763/step, 1.46523 hours remaining, 113.675781 MB of memory in use. ENERGY: 1163800 659.3036 1920.0502 1998.3322 105.0233 1.6843 -1069.0298 0.0000 0.0000 2662.0650 6277.4287 294.0325 3615.3638 6308.1587 300.8859 PRESSURE: 1164000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1164000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1164000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1164000 0 0 0 0 0 0 0 0 0 TIMING: 1164000 CPU: 4637.35, 0.00394886/step Wall: 4637.35, 0.00394885/step, 1.46546 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1164000 698.2045 1828.3498 1969.4047 111.3883 2.2856 -1090.8376 0.0000 0.0000 2726.8265 6245.6218 301.1856 3518.7953 6278.2925 302.0077 PRESSURE: 1164200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1164200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1164200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1164200 0 0 0 0 0 0 0 0 0 TIMING: 1164200 CPU: 4638.14, 0.00394733/step Wall: 4638.14, 0.00394734/step, 1.46468 hours remaining, 113.675781 MB of memory in use. ENERGY: 1164200 643.7404 1851.1878 1961.5780 111.8501 1.6175 -1058.4020 0.0000 0.0000 2748.0326 6259.6044 303.5279 3511.5718 6296.5449 300.1600 LDB: ============= START OF LOAD BALANCING ============== 4641.1 LDB: ============== END OF LOAD BALANCING =============== 4641.1 LDB: =============== DONE WITH MIGRATION ================ 4641.1 LDB: ============= START OF LOAD BALANCING ============== 4641.5 LDB: ============== END OF LOAD BALANCING =============== 4641.5 LDB: =============== DONE WITH MIGRATION ================ 4641.5 PRESSURE: 1164400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1164400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1164400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1164400 0 0 0 0 0 0 0 0 0 TIMING: 1164400 CPU: 4638.93, 0.00395164/step Wall: 4638.93, 0.00395164/step, 1.46606 hours remaining, 113.675781 MB of memory in use. ENERGY: 1164400 663.9780 1843.1921 1991.4056 104.2860 1.0111 -1104.8282 0.0000 0.0000 2757.1414 6256.1860 304.5339 3499.0446 6292.8041 301.1309 PRESSURE: 1164600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1164600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1164600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1164600 0 0 0 0 0 0 0 0 0 TIMING: 1164600 CPU: 4639.72, 0.00394435/step Wall: 4639.72, 0.00394435/step, 1.46313 hours remaining, 113.675781 MB of memory in use. ENERGY: 1164600 626.5326 1814.1154 1975.7079 108.0660 0.4016 -1056.8141 0.0000 0.0000 2720.4342 6188.4435 300.4795 3468.0093 6223.8545 299.1545 PRESSURE: 1164800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1164800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1164800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1164800 0 0 0 0 0 0 0 0 0 TIMING: 1164800 CPU: 4640.51, 0.00394761/step Wall: 4640.51, 0.00394761/step, 1.46413 hours remaining, 113.675781 MB of memory in use. ENERGY: 1164800 621.9616 1834.5290 1967.8068 107.1678 0.6271 -1076.6160 0.0000 0.0000 2741.9524 6197.4288 302.8563 3455.4764 6230.8334 297.8512 PRESSURE: 1165000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1165000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1165000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1165000 0 0 0 0 0 0 0 0 0 TIMING: 1165000 CPU: 4641.3, 0.0039481/step Wall: 4641.3, 0.0039481/step, 1.46409 hours remaining, 113.675781 MB of memory in use. ENERGY: 1165000 646.0457 1829.1422 1984.0947 110.7141 2.1673 -1084.6973 0.0000 0.0000 2724.8968 6212.3634 300.9724 3487.4665 6245.5253 299.0650 PRESSURE: 1165200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1165200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1165200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1165200 0 0 0 0 0 0 0 0 0 TIMING: 1165200 CPU: 4642.09, 0.00394763/step Wall: 4642.09, 0.00394763/step, 1.4637 hours remaining, 113.675781 MB of memory in use. ENERGY: 1165200 662.7289 1819.7244 1935.7787 105.4143 1.9154 -1097.4350 0.0000 0.0000 2759.0918 6187.2183 304.7494 3428.1266 6222.8003 299.9788 PRESSURE: 1165400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1165400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1165400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1165400 0 0 0 0 0 0 0 0 0 TIMING: 1165400 CPU: 4642.88, 0.00394683/step Wall: 4642.88, 0.00394683/step, 1.46318 hours remaining, 113.675781 MB of memory in use. ENERGY: 1165400 660.2704 1848.6016 1971.1141 118.2396 3.2643 -1113.5075 0.0000 0.0000 2744.5184 6232.5008 303.1397 3487.9825 6265.3821 299.2992 PRESSURE: 1165600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1165600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1165600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1165600 0 0 0 0 0 0 0 0 0 TIMING: 1165600 CPU: 4643.67, 0.0039442/step Wall: 4643.67, 0.0039442/step, 1.46198 hours remaining, 113.675781 MB of memory in use. ENERGY: 1165600 680.2841 1855.5116 1983.7447 109.9031 2.9478 -1080.8341 0.0000 0.0000 2679.4164 6230.9736 295.9490 3551.5571 6265.1884 299.8178 PRESSURE: 1165800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1165800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1165800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1165800 0 0 0 0 0 0 0 0 0 TIMING: 1165800 CPU: 4644.46, 0.00394721/step Wall: 4644.46, 0.00394721/step, 1.46288 hours remaining, 113.675781 MB of memory in use. ENERGY: 1165800 673.3484 1797.2464 1984.2779 127.1068 2.9420 -1068.2028 0.0000 0.0000 2709.2815 6226.0002 299.2477 3516.7188 6258.2783 299.8950 PRESSURE: 1166000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1166000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1166000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1166000 0 0 0 0 0 0 0 0 0 TIMING: 1166000 CPU: 4645.25, 0.00394639/step Wall: 4645.25, 0.00394639/step, 1.46236 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1166000 631.2802 1850.5791 1968.8934 105.7149 3.1052 -1068.6118 0.0000 0.0000 2708.6393 6199.6003 299.1768 3490.9610 6234.4018 299.9430 PRESSURE: 1166200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1166200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1166200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1166200 0 0 0 0 0 0 0 0 0 TIMING: 1166200 CPU: 4646.04, 0.00394613/step Wall: 4646.04, 0.00394613/step, 1.46204 hours remaining, 113.675781 MB of memory in use. ENERGY: 1166200 613.5281 1852.5029 1963.3817 102.2645 3.6093 -1056.8928 0.0000 0.0000 2743.7057 6222.0993 303.0499 3478.3937 6256.2874 298.6473 PRESSURE: 1166400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1166400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1166400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1166400 0 0 0 0 0 0 0 0 0 TIMING: 1166400 CPU: 4646.83, 0.00394726/step Wall: 4646.83, 0.00394726/step, 1.46224 hours remaining, 113.675781 MB of memory in use. ENERGY: 1166400 678.0669 1866.9378 1970.4132 109.9591 3.9528 -1071.4443 0.0000 0.0000 2747.5375 6305.4230 303.4732 3557.8855 6341.2870 301.5734 PRESSURE: 1166600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1166600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1166600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1166600 0 0 0 0 0 0 0 0 0 TIMING: 1166600 CPU: 4647.61, 0.00394408/step Wall: 4647.61, 0.00394408/step, 1.46084 hours remaining, 113.675781 MB of memory in use. ENERGY: 1166600 651.7195 1884.8371 1994.9348 117.1215 1.4771 -1077.1763 0.0000 0.0000 2735.9650 6308.8787 302.1950 3572.9137 6341.3370 302.7645 PRESSURE: 1166800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1166800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1166800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1166800 0 0 0 0 0 0 0 0 0 TIMING: 1166800 CPU: 4648.4, 0.0039477/step Wall: 4648.4, 0.0039477/step, 1.46196 hours remaining, 113.675781 MB of memory in use. ENERGY: 1166800 664.3256 1886.2451 1983.0203 112.0752 2.2845 -1062.2715 0.0000 0.0000 2709.6423 6295.3215 299.2875 3585.6792 6326.6984 303.5178 PRESSURE: 1167000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1167000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1167000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1167000 0 0 0 0 0 0 0 0 0 TIMING: 1167000 CPU: 4649.19, 0.00394758/step Wall: 4649.19, 0.00394758/step, 1.4617 hours remaining, 113.675781 MB of memory in use. ENERGY: 1167000 621.3823 1905.1536 1975.2513 110.8214 0.2847 -1070.1399 0.0000 0.0000 2772.0097 6314.7631 306.1762 3542.7535 6349.3996 302.8015 PRESSURE: 1167200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1167200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1167200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1167200 0 0 0 0 0 0 0 0 0 TIMING: 1167200 CPU: 4649.98, 0.00394731/step Wall: 4649.98, 0.00394731/step, 1.46138 hours remaining, 113.675781 MB of memory in use. ENERGY: 1167200 641.0934 1856.9605 1980.3783 112.5702 0.7634 -1109.9127 0.0000 0.0000 2792.4715 6274.3245 308.4363 3481.8530 6308.6970 303.8780 PRESSURE: 1167400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1167400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1167400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1167400 0 0 0 0 0 0 0 0 0 TIMING: 1167400 CPU: 4650.77, 0.00394412/step Wall: 4650.77, 0.00394412/step, 1.45998 hours remaining, 113.675781 MB of memory in use. ENERGY: 1167400 700.2947 1891.0675 1972.3823 95.0537 0.0897 -1061.0943 0.0000 0.0000 2715.6737 6313.4673 299.9537 3597.7936 6345.6663 302.5370 PRESSURE: 1167600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1167600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1167600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1167600 0 0 0 0 0 0 0 0 0 TIMING: 1167600 CPU: 4651.56, 0.00394854/step Wall: 4651.56, 0.00394854/step, 1.4614 hours remaining, 113.675781 MB of memory in use. ENERGY: 1167600 666.9086 1876.1921 1973.4731 120.1165 0.9154 -1052.2742 0.0000 0.0000 2756.9764 6342.3079 304.5157 3585.3315 6375.7327 301.4509 PRESSURE: 1167800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1167800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1167800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1167800 0 0 0 0 0 0 0 0 0 TIMING: 1167800 CPU: 4652.35, 0.00394881/step Wall: 4652.35, 0.00394881/step, 1.46128 hours remaining, 113.675781 MB of memory in use. ENERGY: 1167800 650.9915 1830.8319 1987.9955 104.5598 1.8577 -1074.5686 0.0000 0.0000 2784.2491 6285.9169 307.5281 3501.6678 6322.7895 305.2715 PRESSURE: 1168000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1168000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1168000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1168000 0 0 0 0 0 0 0 0 0 TIMING: 1168000 CPU: 4653.14, 0.00395015/step Wall: 4653.14, 0.00395015/step, 1.46156 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1168000 673.6410 1910.8027 1984.9808 97.3113 0.6196 -1039.4720 0.0000 0.0000 2650.0870 6277.9704 292.7095 3627.8834 6309.5652 302.4815 PRESSURE: 1168200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1168200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1168200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1168200 0 0 0 0 0 0 0 0 0 TIMING: 1168200 CPU: 4653.93, 0.00394795/step Wall: 4653.93, 0.00394795/step, 1.46052 hours remaining, 113.675781 MB of memory in use. ENERGY: 1168200 673.5676 1816.4650 2013.7567 114.2655 0.9360 -1076.1843 0.0000 0.0000 2738.0528 6280.8591 302.4256 3542.8064 6315.9183 301.7412 LDB: ============= START OF LOAD BALANCING ============== 4656.89 LDB: ============== END OF LOAD BALANCING =============== 4656.89 LDB: =============== DONE WITH MIGRATION ================ 4656.89 LDB: ============= START OF LOAD BALANCING ============== 4657.28 LDB: ============== END OF LOAD BALANCING =============== 4657.29 LDB: =============== DONE WITH MIGRATION ================ 4657.29 PRESSURE: 1168400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1168400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1168400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1168400 0 0 0 0 0 0 0 0 0 TIMING: 1168400 CPU: 4654.72, 0.0039493/step Wall: 4654.72, 0.0039493/step, 1.4608 hours remaining, 113.675781 MB of memory in use. ENERGY: 1168400 668.3511 1853.5956 1979.3900 106.1019 -0.5887 -1058.6981 0.0000 0.0000 2754.1467 6302.2985 304.2032 3548.1518 6334.3673 303.4468 PRESSURE: 1168600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1168600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1168600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1168600 0 0 0 0 0 0 0 0 0 TIMING: 1168600 CPU: 4655.51, 0.0039467/step Wall: 4655.51, 0.0039467/step, 1.45962 hours remaining, 113.675781 MB of memory in use. ENERGY: 1168600 639.4258 1838.8175 1987.3122 107.4016 0.9084 -1053.2989 0.0000 0.0000 2745.0276 6265.5942 303.1959 3520.5666 6302.4339 300.8903 PRESSURE: 1168800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1168800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1168800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1168800 0 0 0 0 0 0 0 0 0 TIMING: 1168800 CPU: 4656.3, 0.0039492/step Wall: 4656.3, 0.0039492/step, 1.46033 hours remaining, 113.675781 MB of memory in use. ENERGY: 1168800 635.8317 1836.3965 1993.1102 108.0687 -0.0367 -1056.0870 0.0000 0.0000 2759.9260 6277.2094 304.8415 3517.2834 6314.6736 299.5787 PRESSURE: 1169000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1169000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1169000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1169000 0 0 0 0 0 0 0 0 0 TIMING: 1169000 CPU: 4657.09, 0.00394946/step Wall: 4657.09, 0.00394946/step, 1.4602 hours remaining, 113.675781 MB of memory in use. ENERGY: 1169000 646.8007 1879.9435 1967.0571 104.7352 0.2863 -1049.3527 0.0000 0.0000 2730.2294 6279.6996 301.5614 3549.4702 6311.7710 302.2220 PRESSURE: 1169200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1169200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1169200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1169200 0 0 0 0 0 0 0 0 0 TIMING: 1169200 CPU: 4657.88, 0.00394958/step Wall: 4657.88, 0.00394958/step, 1.46003 hours remaining, 113.675781 MB of memory in use. ENERGY: 1169200 674.8810 1806.0002 1969.0396 104.6249 0.0985 -1064.1627 0.0000 0.0000 2723.7230 6214.2044 300.8428 3490.4814 6247.3544 300.2278 PRESSURE: 1169400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1169400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1169400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1169400 0 0 0 0 0 0 0 0 0 TIMING: 1169400 CPU: 4658.67, 0.00394658/step Wall: 4658.67, 0.00394658/step, 1.4587 hours remaining, 113.675781 MB of memory in use. ENERGY: 1169400 642.8604 1855.8870 1993.9837 109.8599 0.2863 -1049.9760 0.0000 0.0000 2628.7744 6181.6757 290.3555 3552.9013 6214.4223 298.6798 PRESSURE: 1169600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1169600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1169600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1169600 0 0 0 0 0 0 0 0 0 TIMING: 1169600 CPU: 4659.46, 0.00395434/step Wall: 4659.46, 0.00395434/step, 1.46135 hours remaining, 113.675781 MB of memory in use. ENERGY: 1169600 612.9683 1831.0874 1996.1682 111.9622 -0.5921 -1080.8584 0.0000 0.0000 2738.7129 6209.4485 302.4985 3470.7356 6245.8698 296.3201 PRESSURE: 1169800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1169800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1169800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1169800 0 0 0 0 0 0 0 0 0 TIMING: 1169800 CPU: 4660.25, 0.0039485/step Wall: 4660.25, 0.0039485/step, 1.45897 hours remaining, 113.675781 MB of memory in use. ENERGY: 1169800 679.5864 1860.9422 1994.1687 113.2253 0.0453 -1053.6894 0.0000 0.0000 2678.6494 6272.9278 295.8643 3594.2784 6304.6919 298.9346 PRESSURE: 1170000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1170000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1170000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1170000 0 0 0 0 0 0 0 0 0 TIMING: 1170000 CPU: 4661.04, 0.00394992/step Wall: 4661.04, 0.00394992/step, 1.45928 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1170000 679.6224 1875.3613 1963.1212 107.4909 -0.1794 -1064.3764 0.0000 0.0000 2698.8564 6259.8964 298.0962 3561.0400 6291.8363 300.1945 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1170000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1170000 WRITING COORDINATES TO RESTART FILE AT STEP 1170000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1170000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1170200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1170200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1170200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1170200 0 0 0 0 0 0 0 0 0 TIMING: 1170200 CPU: 4661.86, 0.00411422/step Wall: 4661.86, 0.00411422/step, 1.51975 hours remaining, 113.675781 MB of memory in use. ENERGY: 1170200 659.3638 1853.7339 1994.9244 95.1071 -0.5984 -1091.7651 0.0000 0.0000 2758.0741 6268.8397 304.6370 3510.7656 6304.0858 300.0985 PRESSURE: 1170400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1170400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1170400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1170400 0 0 0 0 0 0 0 0 0 TIMING: 1170400 CPU: 4662.65, 0.00394569/step Wall: 4662.65, 0.00394569/step, 1.45727 hours remaining, 113.675781 MB of memory in use. ENERGY: 1170400 704.7898 1854.0758 1968.9650 101.8626 -0.8110 -1083.4536 0.0000 0.0000 2742.3416 6287.7702 302.8993 3545.4286 6319.3832 302.2187 PRESSURE: 1170600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1170600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1170600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1170600 0 0 0 0 0 0 0 0 0 TIMING: 1170600 CPU: 4663.45, 0.00397409/step Wall: 4663.45, 0.00397409/step, 1.46754 hours remaining, 113.675781 MB of memory in use. ENERGY: 1170600 661.8178 1853.2818 2017.7506 113.0813 -0.7015 -1082.6200 0.0000 0.0000 2793.5196 6356.1296 308.5520 3562.6100 6392.7473 305.3752 PRESSURE: 1170800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1170800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1170800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1170800 0 0 0 0 0 0 0 0 0 TIMING: 1170800 CPU: 4664.24, 0.00395563/step Wall: 4664.24, 0.00395563/step, 1.46051 hours remaining, 113.675781 MB of memory in use. ENERGY: 1170800 689.6119 1864.1777 1976.3488 110.3980 0.9594 -1084.0165 0.0000 0.0000 2814.3429 6371.8221 310.8520 3557.4792 6405.5027 306.0341 PRESSURE: 1171000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1171000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1171000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1171000 0 0 0 0 0 0 0 0 0 TIMING: 1171000 CPU: 4665.03, 0.00395113/step Wall: 4665.03, 0.00395113/step, 1.45862 hours remaining, 113.675781 MB of memory in use. ENERGY: 1171000 666.9886 1905.4455 1970.1611 125.9058 0.0707 -1075.1339 0.0000 0.0000 2815.5385 6408.9764 310.9841 3593.4379 6443.7272 309.7225 PRESSURE: 1171200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1171200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1171200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1171200 0 0 0 0 0 0 0 0 0 TIMING: 1171200 CPU: 4665.82, 0.00394473/step Wall: 4665.82, 0.00394473/step, 1.45604 hours remaining, 113.675781 MB of memory in use. ENERGY: 1171200 647.0910 1877.0527 2006.0217 118.5369 0.2604 -1074.6323 0.0000 0.0000 2736.7293 6311.0596 302.2794 3574.3303 6344.6048 307.4995 PRESSURE: 1171400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1171400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1171400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1171400 0 0 0 0 0 0 0 0 0 TIMING: 1171400 CPU: 4666.61, 0.00394899/step Wall: 4666.61, 0.00394899/step, 1.45739 hours remaining, 113.675781 MB of memory in use. ENERGY: 1171400 677.7930 1839.6443 2001.4908 107.5380 -0.6659 -1070.9193 0.0000 0.0000 2763.0754 6317.9564 305.1894 3554.8810 6351.5648 305.4538 PRESSURE: 1171600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1171600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1171600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1171600 0 0 0 0 0 0 0 0 0 TIMING: 1171600 CPU: 4667.4, 0.00394806/step Wall: 4667.4, 0.00394806/step, 1.45683 hours remaining, 113.675781 MB of memory in use. ENERGY: 1171600 659.0612 1850.3830 2017.6996 124.7490 0.1468 -1058.7913 0.0000 0.0000 2716.6539 6309.9022 300.0620 3593.2483 6343.2989 303.2067 PRESSURE: 1171800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1171800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1171800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1171800 0 0 0 0 0 0 0 0 0 TIMING: 1171800 CPU: 4668.19, 0.00394934/step Wall: 4668.19, 0.00394934/step, 1.45709 hours remaining, 113.675781 MB of memory in use. ENERGY: 1171800 671.9913 1860.6022 1985.5275 104.6329 0.2827 -1083.5647 0.0000 0.0000 2738.7730 6278.2447 302.5051 3539.4717 6309.9149 303.5994 PRESSURE: 1172000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1172000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1172000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1172000 0 0 0 0 0 0 0 0 0 TIMING: 1172000 CPU: 4668.98, 0.00394871/step Wall: 4668.98, 0.00394871/step, 1.45664 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1172000 645.7427 1879.5702 1967.6842 102.1313 0.0626 -1061.6442 0.0000 0.0000 2701.9372 6235.4841 298.4365 3533.5469 6265.9231 299.7077 PRESSURE: 1172200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1172200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1172200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1172200 0 0 0 0 0 0 0 0 0 TIMING: 1172200 CPU: 4669.76, 0.00394484/step Wall: 4669.76, 0.00394484/step, 1.45499 hours remaining, 113.675781 MB of memory in use. ENERGY: 1172200 649.6484 1902.5146 1971.9972 105.5755 -0.7528 -1074.4252 0.0000 0.0000 2723.2948 6277.8525 300.7955 3554.5577 6312.2185 301.6566 LDB: ============= START OF LOAD BALANCING ============== 4672.72 LDB: ============== END OF LOAD BALANCING =============== 4672.72 LDB: =============== DONE WITH MIGRATION ================ 4672.72 LDB: ============= START OF LOAD BALANCING ============== 4673.12 LDB: ============== END OF LOAD BALANCING =============== 4673.12 LDB: =============== DONE WITH MIGRATION ================ 4673.12 PRESSURE: 1172400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1172400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1172400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1172400 0 0 0 0 0 0 0 0 0 TIMING: 1172400 CPU: 4670.56, 0.00395332/step Wall: 4670.56, 0.00395332/step, 1.4579 hours remaining, 113.675781 MB of memory in use. ENERGY: 1172400 666.1168 1856.7712 1975.0906 101.2479 -0.6410 -1086.2350 0.0000 0.0000 2737.6691 6250.0196 302.3832 3512.3504 6282.8737 301.9609 PRESSURE: 1172600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1172600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1172600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1172600 0 0 0 0 0 0 0 0 0 TIMING: 1172600 CPU: 4671.35, 0.00395097/step Wall: 4671.35, 0.00395097/step, 1.45681 hours remaining, 113.675781 MB of memory in use. ENERGY: 1172600 638.5356 1854.4398 2016.6663 104.5778 0.1771 -1077.2111 0.0000 0.0000 2708.8818 6246.0675 299.2035 3537.1857 6278.0435 301.1518 PRESSURE: 1172800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1172800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1172800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1172800 0 0 0 0 0 0 0 0 0 TIMING: 1172800 CPU: 4672.14, 0.0039493/step Wall: 4672.14, 0.0039493/step, 1.45598 hours remaining, 113.675781 MB of memory in use. ENERGY: 1172800 623.3391 1832.2997 1996.2895 112.3213 -0.1822 -1046.1538 0.0000 0.0000 2717.2923 6235.2059 300.1325 3517.9136 6269.9717 300.6819 PRESSURE: 1173000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1173000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1173000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1173000 0 0 0 0 0 0 0 0 0 TIMING: 1173000 CPU: 4672.93, 0.00394928/step Wall: 4672.93, 0.00394928/step, 1.45575 hours remaining, 113.675781 MB of memory in use. ENERGY: 1173000 631.2409 1850.5236 1976.3413 107.5587 0.4746 -1047.8055 0.0000 0.0000 2705.9514 6224.2850 298.8799 3518.3336 6256.9435 299.7842 PRESSURE: 1173200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1173200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1173200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1173200 0 0 0 0 0 0 0 0 0 TIMING: 1173200 CPU: 4673.71, 0.00394706/step Wall: 4673.71, 0.00394706/step, 1.45471 hours remaining, 113.675781 MB of memory in use. ENERGY: 1173200 634.9758 1865.9258 1978.9605 109.0173 0.4149 -1098.6645 0.0000 0.0000 2716.7254 6207.3552 300.0699 3490.6298 6240.6262 299.9233 PRESSURE: 1173400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1173400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1173400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1173400 0 0 0 0 0 0 0 0 0 TIMING: 1173400 CPU: 4674.5, 0.00395/step Wall: 4674.5, 0.00395/step, 1.45557 hours remaining, 113.675781 MB of memory in use. ENERGY: 1173400 660.5225 1842.9384 1971.7187 113.3040 -0.2168 -1118.0122 0.0000 0.0000 2706.5505 6176.8051 298.9460 3470.2546 6210.6922 301.2497 PRESSURE: 1173600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1173600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1173600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1173600 0 0 0 0 0 0 0 0 0 TIMING: 1173600 CPU: 4675.29, 0.00394871/step Wall: 4675.29, 0.00394871/step, 1.45488 hours remaining, 113.675781 MB of memory in use. ENERGY: 1173600 652.4823 1877.8713 1944.6175 107.3331 -0.3430 -1071.9691 0.0000 0.0000 2697.2905 6207.2826 297.9232 3509.9921 6237.6249 298.4206 PRESSURE: 1173800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1173800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1173800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1173800 0 0 0 0 0 0 0 0 0 TIMING: 1173800 CPU: 4676.08, 0.00395054/step Wall: 4676.08, 0.00395054/step, 1.45533 hours remaining, 113.675781 MB of memory in use. ENERGY: 1173800 618.7038 1876.0768 1993.0611 98.2789 0.3049 -1105.4954 0.0000 0.0000 2750.7535 6231.6837 303.8284 3480.9302 6268.3549 300.7425 PRESSURE: 1174000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1174000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1174000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1174000 0 0 0 0 0 0 0 0 0 TIMING: 1174000 CPU: 4676.87, 0.0039482/step Wall: 4676.87, 0.0039482/step, 1.45425 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1174000 662.3617 1842.0315 1972.2689 109.6724 -1.5356 -1051.3837 0.0000 0.0000 2683.2155 6216.6307 296.3686 3533.4152 6248.7446 299.6007 PRESSURE: 1174200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1174200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1174200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1174200 0 0 0 0 0 0 0 0 0 TIMING: 1174200 CPU: 4677.66, 0.00394669/step Wall: 4677.66, 0.00394668/step, 1.45348 hours remaining, 113.675781 MB of memory in use. ENERGY: 1174200 677.6342 1871.9712 1957.5462 119.3697 -0.5751 -1084.7282 0.0000 0.0000 2696.1466 6237.3645 297.7969 3541.2179 6272.5502 298.1667 PRESSURE: 1174400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1174400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1174400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1174400 0 0 0 0 0 0 0 0 0 TIMING: 1174400 CPU: 4678.45, 0.00394974/step Wall: 4678.45, 0.00394974/step, 1.45438 hours remaining, 113.675781 MB of memory in use. ENERGY: 1174400 662.3637 1831.6211 1977.0772 116.5547 -0.1583 -1079.1775 0.0000 0.0000 2754.3599 6262.6408 304.2267 3508.2809 6294.0339 301.3208 PRESSURE: 1174600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1174600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1174600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1174600 0 0 0 0 0 0 0 0 0 TIMING: 1174600 CPU: 4679.24, 0.00394974/step Wall: 4679.24, 0.00394974/step, 1.45416 hours remaining, 113.675781 MB of memory in use. ENERGY: 1174600 634.3078 1863.8637 2004.4615 107.3368 0.7791 -1066.8049 0.0000 0.0000 2719.7157 6263.6598 300.4002 3543.9441 6295.8201 301.4013 PRESSURE: 1174800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1174800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1174800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1174800 0 0 0 0 0 0 0 0 0 TIMING: 1174800 CPU: 4680.03, 0.00394966/step Wall: 4680.03, 0.00394966/step, 1.45392 hours remaining, 113.675781 MB of memory in use. ENERGY: 1174800 627.8782 1824.5794 2012.8137 120.9990 -0.5659 -1079.9571 0.0000 0.0000 2728.0829 6233.8303 301.3244 3505.7473 6268.9904 300.5411 PRESSURE: 1175000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1175000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1175000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1175000 0 0 0 0 0 0 0 0 0 TIMING: 1175000 CPU: 4680.82, 0.00394492/step Wall: 4680.82, 0.00394492/step, 1.45195 hours remaining, 113.675781 MB of memory in use. ENERGY: 1175000 659.1334 1820.5441 1971.1200 111.8359 1.6135 -1061.2087 0.0000 0.0000 2676.8300 6179.8682 295.6633 3503.0382 6213.7900 299.6983 PRESSURE: 1175200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1175200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1175200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1175200 0 0 0 0 0 0 0 0 0 TIMING: 1175200 CPU: 4681.61, 0.00395001/step Wall: 4681.61, 0.00395001/step, 1.4536 hours remaining, 113.675781 MB of memory in use. ENERGY: 1175200 663.5754 1860.4326 1997.4494 106.8622 0.0372 -1145.8557 0.0000 0.0000 2718.4568 6200.9579 300.2611 3482.5012 6233.9058 297.3525 PRESSURE: 1175400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1175400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1175400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1175400 0 0 0 0 0 0 0 0 0 TIMING: 1175400 CPU: 4682.4, 0.00394842/step Wall: 4682.4, 0.00394842/step, 1.4528 hours remaining, 113.675781 MB of memory in use. ENERGY: 1175400 647.4832 1826.9982 2010.7848 117.5372 0.8993 -1118.2597 0.0000 0.0000 2710.3209 6195.7639 299.3625 3485.4430 6230.2965 299.2549 PRESSURE: 1175600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1175600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1175600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1175600 0 0 0 0 0 0 0 0 0 TIMING: 1175600 CPU: 4683.19, 0.00394956/step Wall: 4683.19, 0.00394956/step, 1.453 hours remaining, 113.675781 MB of memory in use. ENERGY: 1175600 637.9165 1864.6068 1969.9389 101.6768 1.5750 -1095.1988 0.0000 0.0000 2750.0131 6230.5284 303.7466 3480.5153 6265.8344 299.3202 PRESSURE: 1175800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1175800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1175800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1175800 0 0 0 0 0 0 0 0 0 TIMING: 1175800 CPU: 4683.98, 0.00394798/step Wall: 4683.98, 0.00394798/step, 1.4522 hours remaining, 113.675781 MB of memory in use. ENERGY: 1175800 662.3957 1814.8903 1972.2402 96.2813 1.2483 -1072.7507 0.0000 0.0000 2694.6465 6168.9516 297.6312 3474.3051 6201.9388 299.1066 PRESSURE: 1176000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1176000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1176000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1176000 0 0 0 0 0 0 0 0 0 TIMING: 1176000 CPU: 4684.77, 0.00394481/step Wall: 4684.77, 0.00394481/step, 1.45081 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1176000 682.2681 1832.2792 2003.3136 105.4880 0.3641 -1113.6099 0.0000 0.0000 2666.5893 6176.6925 294.5322 3510.1031 6206.5937 296.8519 PRESSURE: 1176200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1176200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1176200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1176200 0 0 0 0 0 0 0 0 0 TIMING: 1176200 CPU: 4685.56, 0.00394912/step Wall: 4685.56, 0.00394912/step, 1.45218 hours remaining, 113.675781 MB of memory in use. ENERGY: 1176200 677.6494 1798.7738 2015.6257 105.3601 0.1361 -1084.4578 0.0000 0.0000 2722.4355 6235.5228 300.7006 3513.0873 6269.1736 298.5739 LDB: ============= START OF LOAD BALANCING ============== 4688.52 LDB: ============== END OF LOAD BALANCING =============== 4688.52 LDB: =============== DONE WITH MIGRATION ================ 4688.52 LDB: ============= START OF LOAD BALANCING ============== 4688.92 LDB: ============== END OF LOAD BALANCING =============== 4688.92 LDB: =============== DONE WITH MIGRATION ================ 4688.92 PRESSURE: 1176400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1176400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1176400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1176400 0 0 0 0 0 0 0 0 0 TIMING: 1176400 CPU: 4686.35, 0.00395307/step Wall: 4686.35, 0.00395307/step, 1.45341 hours remaining, 113.675781 MB of memory in use. ENERGY: 1176400 693.9599 1807.0745 2002.5944 106.5956 0.3058 -1102.2834 0.0000 0.0000 2758.8080 6267.0549 304.7180 3508.2469 6299.4759 302.8097 PRESSURE: 1176600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1176600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1176600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1176600 0 0 0 0 0 0 0 0 0 TIMING: 1176600 CPU: 4687.14, 0.0039491/step Wall: 4687.14, 0.0039491/step, 1.45173 hours remaining, 113.675781 MB of memory in use. ENERGY: 1176600 672.4834 1867.8512 2007.3591 111.2655 -1.1357 -1083.4899 0.0000 0.0000 2722.1096 6296.4430 300.6646 3574.3334 6324.9245 303.5223 PRESSURE: 1176800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1176800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1176800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1176800 0 0 0 0 0 0 0 0 0 TIMING: 1176800 CPU: 4687.93, 0.00394797/step Wall: 4687.93, 0.00394797/step, 1.4511 hours remaining, 113.675781 MB of memory in use. ENERGY: 1176800 656.1166 1853.2877 2013.8019 102.4495 -1.2013 -1085.7163 0.0000 0.0000 2725.7153 6264.4535 301.0628 3538.7382 6297.7568 301.8543 PRESSURE: 1177000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1177000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1177000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1177000 0 0 0 0 0 0 0 0 0 TIMING: 1177000 CPU: 4688.72, 0.00394405/step Wall: 4688.72, 0.00394405/step, 1.44944 hours remaining, 113.675781 MB of memory in use. ENERGY: 1177000 661.3787 1826.0944 1998.0487 97.2645 -0.0277 -1099.9651 0.0000 0.0000 2762.1095 6244.9031 305.0827 3482.7936 6278.0857 301.3418 PRESSURE: 1177200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1177200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1177200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1177200 0 0 0 0 0 0 0 0 0 TIMING: 1177200 CPU: 4689.51, 0.00394943/step Wall: 4689.51, 0.00394943/step, 1.45119 hours remaining, 113.675781 MB of memory in use. ENERGY: 1177200 648.4955 1880.1749 2012.8519 120.1731 0.0637 -1086.2585 0.0000 0.0000 2713.0379 6288.5385 299.6626 3575.5006 6321.1427 301.5247 PRESSURE: 1177400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1177400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1177400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1177400 0 0 0 0 0 0 0 0 0 TIMING: 1177400 CPU: 4690.3, 0.00394826/step Wall: 4690.3, 0.00394826/step, 1.45055 hours remaining, 113.675781 MB of memory in use. ENERGY: 1177400 653.0063 1834.5683 2039.9812 108.5175 0.4843 -1069.2273 0.0000 0.0000 2746.0131 6313.3434 303.3048 3567.3303 6346.0558 304.0440 PRESSURE: 1177600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1177600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1177600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1177600 0 0 0 0 0 0 0 0 0 TIMING: 1177600 CPU: 4691.09, 0.00395246/step Wall: 4691.09, 0.00395246/step, 1.45187 hours remaining, 113.675781 MB of memory in use. ENERGY: 1177600 648.4952 1853.9190 2013.4070 111.4957 0.1525 -1080.3797 0.0000 0.0000 2764.3623 6311.4521 305.3315 3547.0897 6345.9344 305.7522 PRESSURE: 1177800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1177800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1177800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1177800 0 0 0 0 0 0 0 0 0 TIMING: 1177800 CPU: 4691.88, 0.00394361/step Wall: 4691.88, 0.00394361/step, 1.4484 hours remaining, 113.675781 MB of memory in use. ENERGY: 1177800 680.6459 1843.4625 2026.1257 128.3878 0.3049 -1083.2760 0.0000 0.0000 2753.2525 6348.9033 304.1044 3595.6509 6384.4228 304.6154 PRESSURE: 1178000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1178000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1178000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1178000 0 0 0 0 0 0 0 0 0 TIMING: 1178000 CPU: 4692.67, 0.00394982/step Wall: 4692.67, 0.00394982/step, 1.45046 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1178000 682.1058 1889.6169 2005.3860 106.4203 -0.7532 -1086.0888 0.0000 0.0000 2767.7392 6364.4262 305.7045 3596.6870 6397.0989 305.2578 PRESSURE: 1178200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1178200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1178200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1178200 0 0 0 0 0 0 0 0 0 TIMING: 1178200 CPU: 4693.46, 0.00395015/step Wall: 4693.46, 0.00395015/step, 1.45036 hours remaining, 113.675781 MB of memory in use. ENERGY: 1178200 674.5643 1871.8054 1989.8216 107.8353 -0.1624 -1080.2122 0.0000 0.0000 2802.3443 6365.9962 309.5267 3563.6519 6398.8078 306.1174 PRESSURE: 1178400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1178400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1178400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1178400 0 0 0 0 0 0 0 0 0 TIMING: 1178400 CPU: 4694.25, 0.00395005/step Wall: 4694.25, 0.00395005/step, 1.45011 hours remaining, 113.675781 MB of memory in use. ENERGY: 1178400 681.6286 1917.3466 1993.0151 99.6129 0.4043 -1075.5285 0.0000 0.0000 2768.0523 6384.5313 305.7391 3616.4789 6417.2962 307.1983 PRESSURE: 1178600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1178600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1178600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1178600 0 0 0 0 0 0 0 0 0 TIMING: 1178600 CPU: 4695.04, 0.00395066/step Wall: 4695.04, 0.00395066/step, 1.45011 hours remaining, 113.675781 MB of memory in use. ENERGY: 1178600 674.2358 1858.3403 1982.3378 113.5248 0.6625 -1056.4595 0.0000 0.0000 2749.2217 6321.8635 303.6592 3572.6418 6355.0268 307.0329 PRESSURE: 1178800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1178800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1178800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1178800 0 0 0 0 0 0 0 0 0 TIMING: 1178800 CPU: 4695.83, 0.00394455/step Wall: 4695.83, 0.00394455/step, 1.44765 hours remaining, 113.675781 MB of memory in use. ENERGY: 1178800 671.2714 1898.1070 2000.8081 109.3235 0.3710 -1073.8134 0.0000 0.0000 2710.4259 6316.4935 299.3741 3606.0676 6348.7330 304.3696 PRESSURE: 1179000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1179000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1179000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1179000 0 0 0 0 0 0 0 0 0 TIMING: 1179000 CPU: 4696.62, 0.00395127/step Wall: 4696.62, 0.00395127/step, 1.4499 hours remaining, 113.675781 MB of memory in use. ENERGY: 1179000 671.1463 1880.0324 1956.7041 104.6961 0.7918 -1048.4272 0.0000 0.0000 2717.1317 6282.0751 300.1148 3564.9434 6315.5561 303.4486 PRESSURE: 1179200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1179200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1179200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1179200 0 0 0 0 0 0 0 0 0 TIMING: 1179200 CPU: 4697.41, 0.00395343/step Wall: 4697.41, 0.00395343/step, 1.45047 hours remaining, 113.675781 MB of memory in use. ENERGY: 1179200 677.3015 1845.6634 1980.3626 108.9314 0.2045 -1075.6786 0.0000 0.0000 2736.6164 6273.4013 302.2669 3536.7849 6306.3946 300.3113 PRESSURE: 1179400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1179400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1179400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1179400 0 0 0 0 0 0 0 0 0 TIMING: 1179400 CPU: 4698.2, 0.00395239/step Wall: 4698.2, 0.00395239/step, 1.44987 hours remaining, 113.675781 MB of memory in use. ENERGY: 1179400 686.4822 1891.0118 1960.0845 95.1588 -1.0314 -1063.4611 0.0000 0.0000 2736.5646 6304.8094 302.2612 3568.2449 6339.5432 303.5970 PRESSURE: 1179600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1179600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1179600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1179600 0 0 0 0 0 0 0 0 0 TIMING: 1179600 CPU: 4698.99, 0.00396491/step Wall: 4698.99, 0.00396491/step, 1.45424 hours remaining, 113.675781 MB of memory in use. ENERGY: 1179600 674.4244 1864.4625 1986.4978 97.2097 0.5631 -1109.1281 0.0000 0.0000 2740.6947 6254.7241 302.7174 3514.0293 6287.1152 302.9899 PRESSURE: 1179800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1179800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1179800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1179800 0 0 0 0 0 0 0 0 0 TIMING: 1179800 CPU: 4699.78, 0.00394688/step Wall: 4699.78, 0.00394688/step, 1.44741 hours remaining, 113.675781 MB of memory in use. ENERGY: 1179800 693.3560 1889.9519 1992.8350 99.1731 0.4533 -1117.0415 0.0000 0.0000 2719.0920 6277.8197 300.3313 3558.7278 6309.0557 301.6889 PRESSURE: 1180000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1180000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1180000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1180000 0 0 0 0 0 0 0 0 0 TIMING: 1180000 CPU: 4700.57, 0.003952/step Wall: 4700.57, 0.003952/step, 1.44906 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1180000 639.5788 1840.6451 1993.8333 115.4419 0.4994 -1073.5039 0.0000 0.0000 2698.4228 6214.9174 298.0483 3516.4946 6249.1451 299.9269 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1180000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1180000 WRITING COORDINATES TO RESTART FILE AT STEP 1180000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1180000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1180200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1180200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1180200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1180200 0 0 0 0 0 0 0 0 0 TIMING: 1180200 CPU: 4701.43, 0.00430882/step Wall: 4701.43, 0.00430882/step, 1.57966 hours remaining, 113.675781 MB of memory in use. ENERGY: 1180200 662.4816 1827.3399 1985.0833 106.5599 -0.0394 -1086.4640 0.0000 0.0000 2765.4659 6260.4272 305.4534 3494.9613 6295.0693 300.5364 LDB: ============= START OF LOAD BALANCING ============== 4704.39 LDB: ============== END OF LOAD BALANCING =============== 4704.39 LDB: =============== DONE WITH MIGRATION ================ 4704.39 LDB: ============= START OF LOAD BALANCING ============== 4704.79 LDB: ============== END OF LOAD BALANCING =============== 4704.79 LDB: =============== DONE WITH MIGRATION ================ 4704.79 PRESSURE: 1180400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1180400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1180400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1180400 0 0 0 0 0 0 0 0 0 TIMING: 1180400 CPU: 4702.22, 0.00395422/step Wall: 4702.22, 0.00395422/step, 1.44944 hours remaining, 113.675781 MB of memory in use. ENERGY: 1180400 649.3737 1896.4457 1993.5244 117.1676 0.8974 -1094.5278 0.0000 0.0000 2703.9128 6266.7937 298.6547 3562.8810 6299.3162 303.8607 PRESSURE: 1180600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1180600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1180600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1180600 0 0 0 0 0 0 0 0 0 TIMING: 1180600 CPU: 4703.01, 0.00394649/step Wall: 4703.01, 0.00394649/step, 1.44639 hours remaining, 113.675781 MB of memory in use. ENERGY: 1180600 656.0748 1849.2642 1978.7403 121.9161 1.0809 -1067.7105 0.0000 0.0000 2723.3067 6262.6724 300.7968 3539.3657 6292.9670 302.1022 PRESSURE: 1180800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1180800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1180800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1180800 0 0 0 0 0 0 0 0 0 TIMING: 1180800 CPU: 4703.8, 0.00394386/step Wall: 4703.8, 0.00394386/step, 1.44521 hours remaining, 113.675781 MB of memory in use. ENERGY: 1180800 660.4356 1877.5335 2005.0899 116.0310 1.9226 -1089.7608 0.0000 0.0000 2703.8644 6275.1162 298.6494 3571.2517 6306.8997 302.1915 PRESSURE: 1181000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1181000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1181000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1181000 0 0 0 0 0 0 0 0 0 TIMING: 1181000 CPU: 4704.59, 0.00394714/step Wall: 4704.59, 0.00394714/step, 1.44619 hours remaining, 113.675781 MB of memory in use. ENERGY: 1181000 627.3266 1874.0341 1987.4012 110.8774 1.4630 -1062.6103 0.0000 0.0000 2787.1397 6325.6319 307.8473 3538.4922 6359.4970 304.2619 PRESSURE: 1181200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1181200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1181200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1181200 0 0 0 0 0 0 0 0 0 TIMING: 1181200 CPU: 4705.38, 0.00394805/step Wall: 4705.38, 0.00394805/step, 1.4463 hours remaining, 113.675781 MB of memory in use. ENERGY: 1181200 619.5402 1827.3868 1986.2815 132.7733 -0.0713 -1089.9524 0.0000 0.0000 2785.3140 6261.2722 307.6457 3475.9582 6298.5746 302.7340 PRESSURE: 1181400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1181400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1181400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1181400 0 0 0 0 0 0 0 0 0 TIMING: 1181400 CPU: 4706.17, 0.00394627/step Wall: 4706.17, 0.00394627/step, 1.44543 hours remaining, 113.675781 MB of memory in use. ENERGY: 1181400 653.3263 1828.0441 1991.3556 104.9620 1.4747 -1068.2148 0.0000 0.0000 2680.7559 6191.7039 296.0970 3510.9479 6220.6254 299.3717 PRESSURE: 1181600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1181600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1181600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1181600 0 0 0 0 0 0 0 0 0 TIMING: 1181600 CPU: 4706.96, 0.00394542/step Wall: 4706.96, 0.00394542/step, 1.4449 hours remaining, 113.675781 MB of memory in use. ENERGY: 1181600 661.7727 1894.6212 1967.3762 108.2580 1.5631 -1084.1250 0.0000 0.0000 2701.0614 6250.5276 298.3398 3549.4662 6281.1704 300.2788 PRESSURE: 1181800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1181800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1181800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1181800 0 0 0 0 0 0 0 0 0 TIMING: 1181800 CPU: 4707.75, 0.00394402/step Wall: 4707.75, 0.00394402/step, 1.44417 hours remaining, 113.675781 MB of memory in use. ENERGY: 1181800 655.9039 1859.7260 1960.2217 88.8776 1.3957 -1065.4028 0.0000 0.0000 2717.5823 6218.3046 300.1645 3500.7223 6249.1298 301.6463 PRESSURE: 1182000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1182000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1182000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1182000 0 0 0 0 0 0 0 0 0 TIMING: 1182000 CPU: 4708.54, 0.00394789/step Wall: 4708.54, 0.00394789/step, 1.44537 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1182000 666.8752 1824.3710 1991.2911 100.0175 -0.8342 -1068.9874 0.0000 0.0000 2665.8019 6178.5351 294.4452 3512.7332 6214.3087 298.7918 PRESSURE: 1182200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1182200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1182200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1182200 0 0 0 0 0 0 0 0 0 TIMING: 1182200 CPU: 4709.33, 0.00394832/step Wall: 4709.33, 0.00394832/step, 1.4453 hours remaining, 113.675781 MB of memory in use. ENERGY: 1182200 661.4187 1843.7637 1969.2259 105.4594 0.3299 -1116.8828 0.0000 0.0000 2694.8593 6158.1742 297.6547 3463.3149 6190.0801 297.8637 PRESSURE: 1182400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1182400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1182400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1182400 0 0 0 0 0 0 0 0 0 TIMING: 1182400 CPU: 4710.12, 0.00394657/step Wall: 4710.12, 0.00394657/step, 1.44444 hours remaining, 113.675781 MB of memory in use. ENERGY: 1182400 640.3405 1840.1261 1974.9739 103.8704 1.9016 -1102.9462 0.0000 0.0000 2648.5164 6106.7827 292.5360 3458.2663 6138.6596 294.9665 PRESSURE: 1182600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1182600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1182600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1182600 0 0 0 0 0 0 0 0 0 TIMING: 1182600 CPU: 4710.91, 0.00394352/step Wall: 4710.91, 0.00394352/step, 1.44311 hours remaining, 113.675781 MB of memory in use. ENERGY: 1182600 656.2437 1813.7195 1955.1510 113.3449 1.3117 -1072.2943 0.0000 0.0000 2658.9327 6126.4092 293.6865 3467.4766 6159.4054 293.1054 PRESSURE: 1182800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1182800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1182800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1182800 0 0 0 0 0 0 0 0 0 TIMING: 1182800 CPU: 4711.7, 0.00394929/step Wall: 4711.7, 0.00394929/step, 1.445 hours remaining, 113.675781 MB of memory in use. ENERGY: 1182800 673.8837 1807.8156 1962.9239 97.0862 3.2713 -1064.7522 0.0000 0.0000 2672.0341 6152.2626 295.1336 3480.2284 6184.1088 294.4396 PRESSURE: 1183000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1183000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1183000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1183000 0 0 0 0 0 0 0 0 0 TIMING: 1183000 CPU: 4712.48, 0.00394731/step Wall: 4712.48, 0.00394731/step, 1.44406 hours remaining, 113.675781 MB of memory in use. ENERGY: 1183000 649.7677 1834.4036 1974.4724 117.6220 2.5152 -1060.1586 0.0000 0.0000 2665.7258 6184.3480 294.4368 3518.6223 6217.2345 297.8144 PRESSURE: 1183200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1183200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1183200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1183200 0 0 0 0 0 0 0 0 0 TIMING: 1183200 CPU: 4713.27, 0.00394825/step Wall: 4713.27, 0.00394825/step, 1.44418 hours remaining, 113.675781 MB of memory in use. ENERGY: 1183200 678.8172 1835.9657 1983.6650 114.5374 1.5765 -1099.9252 0.0000 0.0000 2689.7035 6204.3400 297.0852 3514.6365 6238.1520 297.9834 PRESSURE: 1183400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1183400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1183400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1183400 0 0 0 0 0 0 0 0 0 TIMING: 1183400 CPU: 4714.06, 0.00394747/step Wall: 4714.06, 0.00394747/step, 1.44368 hours remaining, 113.675781 MB of memory in use. ENERGY: 1183400 660.1656 1791.0845 2001.9787 108.4197 1.4926 -1057.0693 0.0000 0.0000 2720.4789 6226.5507 300.4845 3506.0718 6258.2235 298.5201 PRESSURE: 1183600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1183600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1183600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1183600 0 0 0 0 0 0 0 0 0 TIMING: 1183600 CPU: 4714.85, 0.00394209/step Wall: 4714.85, 0.00394209/step, 1.44149 hours remaining, 113.675781 MB of memory in use. ENERGY: 1183600 650.7729 1826.3277 1982.0648 99.3138 1.1029 -1092.7809 0.0000 0.0000 2741.6693 6208.4705 302.8250 3466.8012 6242.7711 299.2965 PRESSURE: 1183800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1183800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1183800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1183800 0 0 0 0 0 0 0 0 0 TIMING: 1183800 CPU: 4715.64, 0.00394792/step Wall: 4715.64, 0.00394792/step, 1.4434 hours remaining, 113.675781 MB of memory in use. ENERGY: 1183800 643.7331 1823.3090 1994.0501 116.4645 2.7020 -1100.6201 0.0000 0.0000 2766.1372 6245.7758 305.5276 3479.6387 6279.5018 299.4773 PRESSURE: 1184000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1184000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1184000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1184000 0 0 0 0 0 0 0 0 0 TIMING: 1184000 CPU: 4716.43, 0.00394755/step Wall: 4716.43, 0.00394755/step, 1.44305 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1184000 631.7239 1832.6712 1996.1651 125.8907 1.3900 -1091.8376 0.0000 0.0000 2726.4450 6222.4482 301.1434 3496.0032 6256.5042 299.8408 PRESSURE: 1184200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1184200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1184200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1184200 0 0 0 0 0 0 0 0 0 TIMING: 1184200 CPU: 4717.22, 0.00394883/step Wall: 4717.22, 0.00394883/step, 1.4433 hours remaining, 113.675781 MB of memory in use. ENERGY: 1184200 682.3226 1803.9184 2007.5886 101.6869 0.9388 -1094.5677 0.0000 0.0000 2695.2536 6197.1411 297.6983 3501.8875 6228.5879 299.6358 LDB: ============= START OF LOAD BALANCING ============== 4720.18 LDB: ============== END OF LOAD BALANCING =============== 4720.18 LDB: =============== DONE WITH MIGRATION ================ 4720.18 LDB: ============= START OF LOAD BALANCING ============== 4720.58 LDB: ============== END OF LOAD BALANCING =============== 4720.58 LDB: =============== DONE WITH MIGRATION ================ 4720.58 PRESSURE: 1184400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1184400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1184400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1184400 0 0 0 0 0 0 0 0 0 TIMING: 1184400 CPU: 4718.01, 0.00395109/step Wall: 4718.01, 0.00395109/step, 1.4439 hours remaining, 113.675781 MB of memory in use. ENERGY: 1184400 637.7928 1838.6091 1985.2365 104.7339 1.2092 -1090.3042 0.0000 0.0000 2735.0041 6212.2813 302.0888 3477.2772 6244.4723 297.9812 PRESSURE: 1184600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1184600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1184600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1184600 0 0 0 0 0 0 0 0 0 TIMING: 1184600 CPU: 4718.8, 0.003943/step Wall: 4718.8, 0.003943/step, 1.44073 hours remaining, 113.675781 MB of memory in use. ENERGY: 1184600 647.3080 1853.1591 2000.1652 113.5061 0.5651 -1073.0028 0.0000 0.0000 2653.0262 6194.7269 293.0341 3541.7007 6225.0552 298.3820 PRESSURE: 1184800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1184800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1184800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1184800 0 0 0 0 0 0 0 0 0 TIMING: 1184800 CPU: 4719.59, 0.00394835/step Wall: 4719.59, 0.00394835/step, 1.44247 hours remaining, 113.675781 MB of memory in use. ENERGY: 1184800 676.2761 1776.5471 2019.7371 108.8663 1.3536 -1060.8974 0.0000 0.0000 2677.6508 6199.5336 295.7540 3521.8828 6231.4793 297.8452 PRESSURE: 1185000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1185000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1185000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1185000 0 0 0 0 0 0 0 0 0 TIMING: 1185000 CPU: 4720.38, 0.00394601/step Wall: 4720.38, 0.00394601/step, 1.44139 hours remaining, 113.675781 MB of memory in use. ENERGY: 1185000 648.4846 1873.0322 2000.4580 109.7982 0.2698 -1150.5811 0.0000 0.0000 2742.8950 6224.3568 302.9604 3481.4618 6259.5256 298.2700 PRESSURE: 1185200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1185200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1185200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1185200 0 0 0 0 0 0 0 0 0 TIMING: 1185200 CPU: 4721.17, 0.00394801/step Wall: 4721.17, 0.00394801/step, 1.4419 hours remaining, 113.675781 MB of memory in use. ENERGY: 1185200 659.0807 1846.3482 1988.8794 100.3489 0.2214 -1054.3117 0.0000 0.0000 2738.0456 6278.6125 302.4248 3540.5669 6312.3346 302.1075 PRESSURE: 1185400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1185400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1185400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1185400 0 0 0 0 0 0 0 0 0 TIMING: 1185400 CPU: 4721.96, 0.00394547/step Wall: 4721.96, 0.00394547/step, 1.44076 hours remaining, 113.675781 MB of memory in use. ENERGY: 1185400 640.0078 1821.6079 1994.1289 114.8359 -0.0034 -1034.7389 0.0000 0.0000 2711.0712 6246.9094 299.4454 3535.8382 6278.6076 300.4487 PRESSURE: 1185600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1185600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1185600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1185600 0 0 0 0 0 0 0 0 0 TIMING: 1185600 CPU: 4722.75, 0.00394415/step Wall: 4722.75, 0.00394415/step, 1.44005 hours remaining, 113.675781 MB of memory in use. ENERGY: 1185600 626.3942 1854.7221 2022.8577 105.8324 2.0296 -1091.2838 0.0000 0.0000 2729.2826 6249.8348 301.4569 3520.5522 6280.0762 301.5742 PRESSURE: 1185800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1185800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1185800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1185800 0 0 0 0 0 0 0 0 0 TIMING: 1185800 CPU: 4723.54, 0.00397509/step Wall: 4723.54, 0.00397509/step, 1.45113 hours remaining, 113.675781 MB of memory in use. ENERGY: 1185800 674.2931 1840.6551 1982.7057 111.3506 2.1531 -1099.2397 0.0000 0.0000 2752.4708 6264.3888 304.0181 3511.9180 6298.1128 300.8156 PRESSURE: 1186000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1186000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1186000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1186000 0 0 0 0 0 0 0 0 0 TIMING: 1186000 CPU: 4724.33, 0.00395296/step Wall: 4724.33, 0.00395296/step, 1.44283 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1186000 660.2034 1807.4622 1987.7646 106.4704 1.6008 -1062.3331 0.0000 0.0000 2743.7686 6244.9368 303.0569 3501.1682 6281.8739 301.3894 PRESSURE: 1186200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1186200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1186200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1186200 0 0 0 0 0 0 0 0 0 TIMING: 1186200 CPU: 4725.12, 0.00395123/step Wall: 4725.12, 0.00395123/step, 1.44198 hours remaining, 113.675781 MB of memory in use. ENERGY: 1186200 675.6139 1872.4931 2005.4470 114.6186 1.5867 -1108.4605 0.0000 0.0000 2681.1881 6242.4869 296.1447 3561.2988 6274.9765 298.9957 PRESSURE: 1186400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1186400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1186400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1186400 0 0 0 0 0 0 0 0 0 TIMING: 1186400 CPU: 4727.97, 0.0142291/step Wall: 4727.97, 0.0142291/step, 5.19204 hours remaining, 113.675781 MB of memory in use. ENERGY: 1186400 659.5551 1894.7505 1983.2636 111.0935 0.9603 -1091.5403 0.0000 0.0000 2720.5732 6278.6559 300.4949 3558.0827 6310.8363 301.7367 PRESSURE: 1186600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1186600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1186600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1186600 0 0 0 0 0 0 0 0 0 TIMING: 1186600 CPU: 4728.78, 0.00404857/step Wall: 4728.78, 0.00404857/step, 1.47705 hours remaining, 113.675781 MB of memory in use. ENERGY: 1186600 669.3452 1903.3129 1999.0492 112.3688 0.4036 -1057.2880 0.0000 0.0000 2686.7173 6313.9090 296.7554 3627.1917 6344.3350 304.1471 PRESSURE: 1186800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1186800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1186800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1186800 0 0 0 0 0 0 0 0 0 TIMING: 1186800 CPU: 4729.57, 0.00394813/step Wall: 4729.57, 0.00394813/step, 1.44019 hours remaining, 113.675781 MB of memory in use. ENERGY: 1186800 622.2292 1936.7524 2005.1571 109.7265 2.1680 -1059.7722 0.0000 0.0000 2716.1249 6332.3858 300.0036 3616.2609 6364.1488 303.5481 PRESSURE: 1187000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1187000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1187000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1187000 0 0 0 0 0 0 0 0 0 TIMING: 1187000 CPU: 4730.36, 0.00394736/step Wall: 4730.36, 0.00394736/step, 1.43969 hours remaining, 113.675781 MB of memory in use. ENERGY: 1187000 698.1748 1848.7475 1986.7294 106.7235 1.4846 -1097.9021 0.0000 0.0000 2809.3587 6353.3166 310.3015 3543.9579 6387.8704 304.6456 PRESSURE: 1187200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1187200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1187200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1187200 0 0 0 0 0 0 0 0 0 TIMING: 1187200 CPU: 4731.15, 0.00394902/step Wall: 4731.15, 0.00394902/step, 1.44007 hours remaining, 113.675781 MB of memory in use. ENERGY: 1187200 678.8361 1882.4128 1991.7436 107.6857 2.9261 -1077.9655 0.0000 0.0000 2779.3076 6364.9464 306.9823 3585.6387 6396.5418 306.6038 PRESSURE: 1187400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1187400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1187400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1187400 0 0 0 0 0 0 0 0 0 TIMING: 1187400 CPU: 4731.93, 0.00394224/step Wall: 4731.93, 0.00394224/step, 1.43738 hours remaining, 113.675781 MB of memory in use. ENERGY: 1187400 645.0155 1870.5605 1981.3048 114.5364 2.0530 -1081.8912 0.0000 0.0000 2757.7706 6289.3497 304.6034 3531.5791 6321.5139 304.0304 PRESSURE: 1187600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1187600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1187600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1187600 0 0 0 0 0 0 0 0 0 TIMING: 1187600 CPU: 4732.72, 0.00394694/step Wall: 4732.72, 0.00394694/step, 1.43888 hours remaining, 113.675781 MB of memory in use. ENERGY: 1187600 658.4567 1832.9413 1990.8542 100.8050 2.5857 -1061.7675 0.0000 0.0000 2761.8248 6285.7002 305.0512 3523.8754 6320.0678 304.8911 PRESSURE: 1187800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1187800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1187800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1187800 0 0 0 0 0 0 0 0 0 TIMING: 1187800 CPU: 4733.51, 0.0039466/step Wall: 4733.51, 0.00394659/step, 1.43853 hours remaining, 113.675781 MB of memory in use. ENERGY: 1187800 643.6015 1856.8902 2000.3319 108.7783 2.6359 -1096.0844 0.0000 0.0000 2787.7749 6303.9284 307.9175 3516.1535 6338.6853 306.7891 PRESSURE: 1188000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1188000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1188000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1188000 0 0 0 0 0 0 0 0 0 TIMING: 1188000 CPU: 4734.3, 0.00394632/step Wall: 4734.3, 0.00394633/step, 1.43822 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1188000 664.1928 1844.9111 1949.9452 115.4768 2.6008 -1098.6079 0.0000 0.0000 2702.2806 6180.7993 298.4744 3478.5188 6214.6036 301.0904 PRESSURE: 1188200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1188200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1188200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1188200 0 0 0 0 0 0 0 0 0 TIMING: 1188200 CPU: 4735.09, 0.00394738/step Wall: 4735.09, 0.00394738/step, 1.43838 hours remaining, 113.675781 MB of memory in use. ENERGY: 1188200 618.5478 1916.2288 1973.7474 98.9634 1.9913 -1103.2074 0.0000 0.0000 2754.0496 6260.3208 304.1924 3506.2713 6293.0340 301.0854 LDB: ============= START OF LOAD BALANCING ============== 4738.05 LDB: ============== END OF LOAD BALANCING =============== 4738.05 LDB: =============== DONE WITH MIGRATION ================ 4738.05 LDB: ============= START OF LOAD BALANCING ============== 4738.45 LDB: ============== END OF LOAD BALANCING =============== 4738.45 LDB: =============== DONE WITH MIGRATION ================ 4738.45 PRESSURE: 1188400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1188400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1188400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1188400 0 0 0 0 0 0 0 0 0 TIMING: 1188400 CPU: 4735.88, 0.0039482/step Wall: 4735.88, 0.0039482/step, 1.43846 hours remaining, 113.675781 MB of memory in use. ENERGY: 1188400 721.6961 1857.8458 1935.3400 100.5715 0.4516 -1103.4000 0.0000 0.0000 2707.2808 6219.7858 299.0267 3512.5050 6252.9369 302.1317 PRESSURE: 1188600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1188600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1188600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1188600 0 0 0 0 0 0 0 0 0 TIMING: 1188600 CPU: 4736.67, 0.00394821/step Wall: 4736.67, 0.00394821/step, 1.43824 hours remaining, 113.675781 MB of memory in use. ENERGY: 1188600 663.0145 1857.9697 1984.2222 98.3678 0.6727 -1116.5272 0.0000 0.0000 2733.2399 6220.9597 301.8940 3487.7198 6254.8259 299.6823 PRESSURE: 1188800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1188800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1188800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1188800 0 0 0 0 0 0 0 0 0 TIMING: 1188800 CPU: 4737.46, 0.00394717/step Wall: 4737.46, 0.00394717/step, 1.43765 hours remaining, 113.675781 MB of memory in use. ENERGY: 1188800 707.7387 1826.5161 1973.6078 120.1289 0.9919 -1063.6552 0.0000 0.0000 2672.2848 6237.6131 295.1613 3565.3282 6269.7615 301.2978 PRESSURE: 1189000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1189000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1189000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1189000 0 0 0 0 0 0 0 0 0 TIMING: 1189000 CPU: 4738.25, 0.00396099/step Wall: 4738.25, 0.00396099/step, 1.44246 hours remaining, 113.675781 MB of memory in use. ENERGY: 1189000 650.8721 1862.5145 1951.6077 111.6559 0.9254 -1082.3596 0.0000 0.0000 2765.8408 6261.0567 305.4948 3495.2159 6296.4441 301.3405 PRESSURE: 1189200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1189200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1189200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1189200 0 0 0 0 0 0 0 0 0 TIMING: 1189200 CPU: 4739.04, 0.00394726/step Wall: 4739.04, 0.00394726/step, 1.43724 hours remaining, 113.675781 MB of memory in use. ENERGY: 1189200 649.6368 1859.3090 1980.5321 121.5676 -0.3259 -1079.2941 0.0000 0.0000 2774.9669 6306.3924 306.5028 3531.4256 6340.0554 302.0100 PRESSURE: 1189400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1189400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1189400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1189400 0 0 0 0 0 0 0 0 0 TIMING: 1189400 CPU: 4739.83, 0.00394398/step Wall: 4739.83, 0.00394398/step, 1.43583 hours remaining, 113.675781 MB of memory in use. ENERGY: 1189400 654.8115 1854.7915 1986.7644 102.6810 0.5774 -1091.8261 0.0000 0.0000 2767.7095 6275.5092 305.7012 3507.7997 6310.0600 303.5835 PRESSURE: 1189600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1189600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1189600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1189600 0 0 0 0 0 0 0 0 0 TIMING: 1189600 CPU: 4740.62, 0.00394622/step Wall: 4740.62, 0.00394621/step, 1.43642 hours remaining, 113.675781 MB of memory in use. ENERGY: 1189600 630.4558 1885.0437 2000.4038 100.1853 1.5139 -1095.4295 0.0000 0.0000 2731.9514 6254.1244 301.7516 3522.1730 6288.2897 301.6723 PRESSURE: 1189800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1189800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1189800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1189800 0 0 0 0 0 0 0 0 0 TIMING: 1189800 CPU: 4741.41, 0.00394574/step Wall: 4741.41, 0.00394574/step, 1.43603 hours remaining, 113.675781 MB of memory in use. ENERGY: 1189800 652.5055 1868.4113 2000.9057 106.4277 0.6552 -1078.4360 0.0000 0.0000 2692.0535 6242.5230 297.3448 3550.4694 6273.0040 302.0070 PRESSURE: 1190000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1190000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1190000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1190000 0 0 0 0 0 0 0 0 0 TIMING: 1190000 CPU: 4742.2, 0.00394583/step Wall: 4742.2, 0.00394583/step, 1.43584 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1190000 638.6231 1837.7283 1985.5860 112.2432 0.5050 -1079.0432 0.0000 0.0000 2721.6883 6217.3308 300.6181 3495.6424 6250.9518 301.0369 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1190000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1190000 WRITING COORDINATES TO RESTART FILE AT STEP 1190000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1190000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1190200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1190200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1190200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1190200 0 0 0 0 0 0 0 0 0 TIMING: 1190200 CPU: 4745.1, 0.0145224/step Wall: 4745.1, 0.0145224/step, 5.28372 hours remaining, 113.675781 MB of memory in use. ENERGY: 1190200 637.6929 1903.3966 1986.3883 99.4216 0.2300 -1092.1512 0.0000 0.0000 2707.8806 6242.8587 299.0930 3534.9782 6273.4178 299.7962 PRESSURE: 1190400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1190400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1190400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1190400 0 0 0 0 0 0 0 0 0 TIMING: 1190400 CPU: 4745.89, 0.00394144/step Wall: 4745.89, 0.00394144/step, 1.43381 hours remaining, 113.675781 MB of memory in use. ENERGY: 1190400 655.2470 1855.1503 1986.2266 105.3073 0.6778 -1107.8278 0.0000 0.0000 2729.6507 6224.4319 301.4975 3494.7812 6258.7417 300.2022 PRESSURE: 1190600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1190600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1190600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1190600 0 0 0 0 0 0 0 0 0 TIMING: 1190600 CPU: 4746.68, 0.00394755/step Wall: 4746.68, 0.00394755/step, 1.43581 hours remaining, 113.675781 MB of memory in use. ENERGY: 1190600 633.0850 1889.7464 1996.5018 106.6675 -0.0377 -1127.3885 0.0000 0.0000 2694.6114 6193.1860 297.6273 3498.5746 6229.3124 298.9535 PRESSURE: 1190800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1190800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1190800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1190800 0 0 0 0 0 0 0 0 0 TIMING: 1190800 CPU: 4747.47, 0.00394807/step Wall: 4747.47, 0.00394807/step, 1.43578 hours remaining, 113.675781 MB of memory in use. ENERGY: 1190800 630.6658 1895.4123 1976.6198 108.8144 -0.5395 -1091.1461 0.0000 0.0000 2667.3051 6187.1317 294.6113 3519.8266 6215.7317 297.4286 PRESSURE: 1191000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1191000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1191000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1191000 0 0 0 0 0 0 0 0 0 TIMING: 1191000 CPU: 4748.26, 0.00394555/step Wall: 4748.26, 0.00394555/step, 1.43465 hours remaining, 113.675781 MB of memory in use. ENERGY: 1191000 648.2837 1826.7445 1981.1620 106.1388 0.2403 -1073.3693 0.0000 0.0000 2746.9150 6236.1150 303.4044 3489.2000 6272.4940 299.4123 PRESSURE: 1191200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1191200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1191200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1191200 0 0 0 0 0 0 0 0 0 TIMING: 1191200 CPU: 4749.05, 0.00394681/step Wall: 4749.05, 0.00394681/step, 1.43488 hours remaining, 113.675781 MB of memory in use. ENERGY: 1191200 648.7555 1843.5139 2005.2229 103.1586 0.7021 -1095.3875 0.0000 0.0000 2721.2027 6227.1683 300.5644 3505.9655 6260.2045 300.4620 PRESSURE: 1191400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1191400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1191400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1191400 0 0 0 0 0 0 0 0 0 TIMING: 1191400 CPU: 4749.84, 0.00394258/step Wall: 4749.84, 0.00394258/step, 1.43313 hours remaining, 113.675781 MB of memory in use. ENERGY: 1191400 651.7373 1823.4816 1976.6849 106.7749 0.4740 -1090.7327 0.0000 0.0000 2747.4763 6215.8963 303.4664 3468.4200 6251.6867 301.4719 PRESSURE: 1191600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1191600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1191600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1191600 0 0 0 0 0 0 0 0 0 TIMING: 1191600 CPU: 4750.63, 0.00394716/step Wall: 4750.63, 0.00394716/step, 1.43457 hours remaining, 113.675781 MB of memory in use. ENERGY: 1191600 648.6103 1842.1669 1973.2536 118.6854 1.5748 -1066.0941 0.0000 0.0000 2724.6260 6242.8229 300.9425 3518.1969 6276.4488 299.8089 PRESSURE: 1191800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1191800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1191800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1191800 0 0 0 0 0 0 0 0 0 TIMING: 1191800 CPU: 4751.42, 0.00394753/step Wall: 4751.42, 0.00394753/step, 1.43449 hours remaining, 113.675781 MB of memory in use. ENERGY: 1191800 688.3641 1889.6234 2001.6249 105.3441 1.0905 -1075.4431 0.0000 0.0000 2706.4086 6317.0125 298.9304 3610.6039 6348.4407 302.9632 PRESSURE: 1192000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1192000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1192000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1192000 0 0 0 0 0 0 0 0 0 TIMING: 1192000 CPU: 4752.21, 0.00394716/step Wall: 4752.21, 0.00394716/step, 1.43413 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1192000 649.4927 1890.1484 1985.9216 113.3229 0.2223 -1057.2858 0.0000 0.0000 2768.4608 6350.2828 305.7842 3581.8220 6383.3786 304.8122 PRESSURE: 1192200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1192200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1192200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1192200 0 0 0 0 0 0 0 0 0 TIMING: 1192200 CPU: 4753, 0.00394351/step Wall: 4753, 0.00394351/step, 1.43259 hours remaining, 113.675781 MB of memory in use. ENERGY: 1192200 708.9006 1925.5365 1980.4092 113.7975 1.1521 -1079.9274 0.0000 0.0000 2745.9529 6395.8214 303.2981 3649.8684 6428.4645 307.4592 LDB: ============= START OF LOAD BALANCING ============== 4755.95 LDB: ============== END OF LOAD BALANCING =============== 4755.95 LDB: =============== DONE WITH MIGRATION ================ 4755.95 LDB: ============= START OF LOAD BALANCING ============== 4756.35 LDB: ============== END OF LOAD BALANCING =============== 4756.35 LDB: =============== DONE WITH MIGRATION ================ 4756.35 PRESSURE: 1192400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1192400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1192400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1192400 0 0 0 0 0 0 0 0 0 TIMING: 1192400 CPU: 4753.79, 0.00395377/step Wall: 4753.79, 0.00395377/step, 1.4361 hours remaining, 113.675781 MB of memory in use. ENERGY: 1192400 665.2465 1877.5435 1956.3720 110.1428 1.8249 -1050.0383 0.0000 0.0000 2812.3525 6373.4439 310.6322 3561.0914 6410.6032 308.8317 PRESSURE: 1192600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1192600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1192600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1192600 0 0 0 0 0 0 0 0 0 TIMING: 1192600 CPU: 4754.58, 0.00394742/step Wall: 4754.58, 0.00394742/step, 1.43357 hours remaining, 113.675781 MB of memory in use. ENERGY: 1192600 647.4544 1908.6426 1990.5210 106.0583 1.8353 -1106.3188 0.0000 0.0000 2736.7994 6284.9923 302.2871 3548.1929 6319.4230 304.3841 PRESSURE: 1192800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1192800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1192800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1192800 0 0 0 0 0 0 0 0 0 TIMING: 1192800 CPU: 4755.37, 0.00394951/step Wall: 4755.37, 0.00394951/step, 1.43411 hours remaining, 113.675781 MB of memory in use. ENERGY: 1192800 635.6651 1894.0944 1977.3439 100.4374 1.0632 -1078.9246 0.0000 0.0000 2739.7345 6269.4138 302.6113 3529.6793 6303.1499 303.9806 PRESSURE: 1193000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1193000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1193000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1193000 0 0 0 0 0 0 0 0 0 TIMING: 1193000 CPU: 4756.15, 0.00394675/step Wall: 4756.15, 0.00394675/step, 1.43289 hours remaining, 113.675781 MB of memory in use. ENERGY: 1193000 692.0272 1842.9877 1968.5356 102.9705 3.6594 -1073.7766 0.0000 0.0000 2722.4151 6258.8190 300.6983 3536.4039 6290.5837 301.7586 PRESSURE: 1193200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1193200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1193200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1193200 0 0 0 0 0 0 0 0 0 TIMING: 1193200 CPU: 4756.94, 0.00394204/step Wall: 4756.94, 0.00394204/step, 1.43096 hours remaining, 113.675781 MB of memory in use. ENERGY: 1193200 627.7188 1824.0627 1978.9829 125.6660 2.3383 -1081.1601 0.0000 0.0000 2779.2873 6256.8958 306.9800 3477.6085 6292.7360 302.2588 PRESSURE: 1193400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1193400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1193400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1193400 0 0 0 0 0 0 0 0 0 TIMING: 1193400 CPU: 4757.73, 0.00394712/step Wall: 4757.73, 0.00394712/step, 1.43259 hours remaining, 113.675781 MB of memory in use. ENERGY: 1193400 651.4887 1850.3664 1983.2005 107.0782 0.3683 -1084.5173 0.0000 0.0000 2748.8539 6256.8388 303.6186 3507.9848 6291.9910 302.2032 PRESSURE: 1193600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1193600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1193600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1193600 0 0 0 0 0 0 0 0 0 TIMING: 1193600 CPU: 4758.52, 0.00394605/step Wall: 4758.52, 0.00394605/step, 1.43198 hours remaining, 113.675781 MB of memory in use. ENERGY: 1193600 658.5129 1808.1451 2002.2074 110.1386 1.6039 -1103.7491 0.0000 0.0000 2770.2962 6247.1550 305.9869 3476.8588 6279.9372 301.7979 PRESSURE: 1193800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1193800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1193800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1193800 0 0 0 0 0 0 0 0 0 TIMING: 1193800 CPU: 4759.31, 0.00394747/step Wall: 4759.31, 0.00394747/step, 1.43227 hours remaining, 113.675781 MB of memory in use. ENERGY: 1193800 631.8093 1882.4544 2005.0237 114.3551 2.1057 -1085.1778 0.0000 0.0000 2674.2447 6224.8151 295.3778 3550.5704 6257.7849 300.0691 PRESSURE: 1194000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1194000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1194000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1194000 0 0 0 0 0 0 0 0 0 TIMING: 1194000 CPU: 4760.1, 0.00394546/step Wall: 4760.1, 0.00394546/step, 1.43132 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1194000 646.6032 1834.9118 2046.3168 111.5400 1.7115 -1070.4326 0.0000 0.0000 2710.3688 6281.0194 299.3678 3570.6507 6315.4736 299.7568 PRESSURE: 1194200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1194200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1194200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1194200 0 0 0 0 0 0 0 0 0 TIMING: 1194200 CPU: 4760.89, 0.00394303/step Wall: 4760.89, 0.00394303/step, 1.43022 hours remaining, 113.675781 MB of memory in use. ENERGY: 1194200 647.8261 1839.0525 1967.8759 97.6084 2.4317 -1059.8058 0.0000 0.0000 2710.0415 6205.0304 299.3316 3494.9889 6237.7713 299.9982 PRESSURE: 1194400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1194400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1194400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1194400 0 0 0 0 0 0 0 0 0 TIMING: 1194400 CPU: 4761.68, 0.00395061/step Wall: 4761.68, 0.00395061/step, 1.43276 hours remaining, 113.675781 MB of memory in use. ENERGY: 1194400 650.9506 1827.3094 1983.1300 102.7274 3.0473 -1072.0585 0.0000 0.0000 2686.4776 6181.5838 296.7289 3495.1062 6216.5209 298.9898 PRESSURE: 1194600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1194600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1194600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1194600 0 0 0 0 0 0 0 0 0 TIMING: 1194600 CPU: 4762.47, 0.00394975/step Wall: 4762.47, 0.00394975/step, 1.43222 hours remaining, 113.675781 MB of memory in use. ENERGY: 1194600 679.1935 1796.4469 1997.3685 119.1207 3.8301 -1090.4283 0.0000 0.0000 2721.1279 6226.6593 300.5562 3505.5314 6262.2076 296.4066 PRESSURE: 1194800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1194800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1194800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1194800 0 0 0 0 0 0 0 0 0 TIMING: 1194800 CPU: 4763.26, 0.00395141/step Wall: 4763.26, 0.00395141/step, 1.43261 hours remaining, 113.675781 MB of memory in use. ENERGY: 1194800 678.5476 1815.7809 1978.4184 111.1859 1.6540 -1086.7361 0.0000 0.0000 2737.4061 6236.2567 302.3541 3498.8507 6268.6327 299.1207 PRESSURE: 1195000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1195000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1195000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1195000 0 0 0 0 0 0 0 0 0 TIMING: 1195000 CPU: 4764.05, 0.00394887/step Wall: 4764.05, 0.00394887/step, 1.43147 hours remaining, 113.675781 MB of memory in use. ENERGY: 1195000 653.1752 1756.9882 1985.2009 115.0943 0.8479 -1044.8454 0.0000 0.0000 2712.8745 6179.3356 299.6445 3466.4611 6214.6119 299.1539 PRESSURE: 1195200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1195200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1195200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1195200 0 0 0 0 0 0 0 0 0 TIMING: 1195200 CPU: 4764.84, 0.00394403/step Wall: 4764.84, 0.00394403/step, 1.42949 hours remaining, 113.675781 MB of memory in use. ENERGY: 1195200 622.0043 1839.5904 1964.8911 104.7650 3.0336 -1086.5023 0.0000 0.0000 2731.3610 6179.1432 301.6864 3447.7822 6212.8267 295.1561 PRESSURE: 1195400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1195400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1195400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1195400 0 0 0 0 0 0 0 0 0 TIMING: 1195400 CPU: 4765.63, 0.00395042/step Wall: 4765.63, 0.00395042/step, 1.43159 hours remaining, 113.675781 MB of memory in use. ENERGY: 1195400 653.7894 1846.2479 2000.2185 103.4986 1.1597 -1075.5514 0.0000 0.0000 2692.6351 6221.9978 297.4090 3529.3627 6256.2611 299.6144 PRESSURE: 1195600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1195600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1195600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1195600 0 0 0 0 0 0 0 0 0 TIMING: 1195600 CPU: 4766.42, 0.00394795/step Wall: 4766.42, 0.00394795/step, 1.43047 hours remaining, 113.675781 MB of memory in use. ENERGY: 1195600 638.2835 1853.0618 1956.1381 104.0274 0.4141 -1067.8673 0.0000 0.0000 2708.9462 6193.0037 299.2106 3484.0575 6224.3538 297.9778 PRESSURE: 1195800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1195800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1195800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1195800 0 0 0 0 0 0 0 0 0 TIMING: 1195800 CPU: 4767.21, 0.00395047/step Wall: 4767.21, 0.00395047/step, 1.43117 hours remaining, 113.675781 MB of memory in use. ENERGY: 1195800 649.4954 1868.2249 1965.2307 99.9805 0.5087 -1053.3520 0.0000 0.0000 2733.7605 6263.8488 301.9515 3530.0883 6295.4701 298.4589 PRESSURE: 1196000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1196000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1196000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1196000 0 0 0 0 0 0 0 0 0 TIMING: 1196000 CPU: 4768, 0.00394309/step Wall: 4768, 0.00394309/step, 1.42827 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1196000 641.3519 1869.6214 1971.2129 99.6802 2.8209 -1059.5684 0.0000 0.0000 2723.0978 6248.2168 300.7737 3525.1190 6281.9668 300.3646 PRESSURE: 1196200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1196200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1196200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1196200 0 0 0 0 0 0 0 0 0 TIMING: 1196200 CPU: 4768.79, 0.00394965/step Wall: 4768.79, 0.00394965/step, 1.43043 hours remaining, 113.675781 MB of memory in use. ENERGY: 1196200 644.9008 1851.6200 1975.3646 105.5512 1.0183 -1087.9214 0.0000 0.0000 2769.5465 6260.0801 305.9041 3490.5336 6296.1457 299.6909 LDB: ============= START OF LOAD BALANCING ============== 4771.75 LDB: ============== END OF LOAD BALANCING =============== 4771.75 LDB: =============== DONE WITH MIGRATION ================ 4771.75 LDB: ============= START OF LOAD BALANCING ============== 4772.14 LDB: ============== END OF LOAD BALANCING =============== 4772.14 LDB: =============== DONE WITH MIGRATION ================ 4772.14 PRESSURE: 1196400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1196400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1196400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1196400 0 0 0 0 0 0 0 0 0 TIMING: 1196400 CPU: 4769.58, 0.00395344/step Wall: 4769.58, 0.00395344/step, 1.43158 hours remaining, 113.675781 MB of memory in use. ENERGY: 1196400 648.4227 1807.8773 1959.3580 115.7696 1.1726 -1054.0010 0.0000 0.0000 2769.2911 6247.8903 305.8759 3478.5992 6283.0306 299.4385 PRESSURE: 1196600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1196600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1196600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1196600 0 0 0 0 0 0 0 0 0 TIMING: 1196600 CPU: 4770.37, 0.00394767/step Wall: 4770.37, 0.00394767/step, 1.42928 hours remaining, 113.675781 MB of memory in use. ENERGY: 1196600 648.9816 1832.2708 1984.4349 113.6423 0.0142 -1061.2282 0.0000 0.0000 2721.3651 6239.4807 300.5824 3518.1157 6273.4545 300.8951 PRESSURE: 1196800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1196800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1196800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1196800 0 0 0 0 0 0 0 0 0 TIMING: 1196800 CPU: 4771.16, 0.00394818/step Wall: 4771.16, 0.00394818/step, 1.42924 hours remaining, 113.675781 MB of memory in use. ENERGY: 1196800 650.5502 1794.3143 1998.6160 95.1830 2.1466 -1084.3587 0.0000 0.0000 2746.0697 6202.5211 303.3110 3456.4514 6237.3162 298.1414 PRESSURE: 1197000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1197000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1197000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1197000 0 0 0 0 0 0 0 0 0 TIMING: 1197000 CPU: 4771.94, 0.00394251/step Wall: 4771.94, 0.00394251/step, 1.42697 hours remaining, 113.675781 MB of memory in use. ENERGY: 1197000 666.9709 1893.1249 1966.2391 109.2856 -0.3155 -1088.5680 0.0000 0.0000 2638.9831 6185.7200 291.4830 3546.7369 6213.7716 297.6506 PRESSURE: 1197200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1197200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1197200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1197200 0 0 0 0 0 0 0 0 0 TIMING: 1197200 CPU: 4772.73, 0.00394735/step Wall: 4772.73, 0.00394735/step, 1.4285 hours remaining, 113.675781 MB of memory in use. ENERGY: 1197200 683.4794 1862.0534 1999.3765 117.8289 1.9841 -1076.9831 0.0000 0.0000 2628.9537 6216.6929 290.3753 3587.7392 6246.2530 297.5491 PRESSURE: 1197400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1197400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1197400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1197400 0 0 0 0 0 0 0 0 0 TIMING: 1197400 CPU: 4773.52, 0.00394804/step Wall: 4773.52, 0.00394804/step, 1.42853 hours remaining, 113.675781 MB of memory in use. ENERGY: 1197400 680.2693 1878.7920 1969.0939 96.4097 1.1267 -1094.6357 0.0000 0.0000 2637.0170 6168.0729 291.2659 3531.0559 6199.4905 298.2104 PRESSURE: 1197600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1197600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1197600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1197600 0 0 0 0 0 0 0 0 0 TIMING: 1197600 CPU: 4774.31, 0.00395009/step Wall: 4774.31, 0.00395009/step, 1.42905 hours remaining, 113.675781 MB of memory in use. ENERGY: 1197600 631.0712 1869.1943 2000.5965 108.0830 0.4203 -1104.7679 0.0000 0.0000 2781.7228 6286.3201 307.2490 3504.5974 6322.8525 300.5804 PRESSURE: 1197800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1197800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1197800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1197800 0 0 0 0 0 0 0 0 0 TIMING: 1197800 CPU: 4775.1, 0.00394841/step Wall: 4775.1, 0.00394841/step, 1.42823 hours remaining, 113.675781 MB of memory in use. ENERGY: 1197800 658.9292 1862.4691 1999.5826 120.9327 0.9701 -1080.5703 0.0000 0.0000 2721.5809 6283.8943 300.6062 3562.3134 6317.5106 302.1793 PRESSURE: 1198000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1198000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1198000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1198000 0 0 0 0 0 0 0 0 0 TIMING: 1198000 CPU: 4775.89, 0.00394432/step Wall: 4775.89, 0.00394432/step, 1.42653 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1198000 673.4514 1853.1778 1980.3471 103.5254 1.5411 -1080.6320 0.0000 0.0000 2733.1487 6264.5595 301.8839 3531.4107 6298.3700 301.7566 PRESSURE: 1198200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1198200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1198200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1198200 0 0 0 0 0 0 0 0 0 TIMING: 1198200 CPU: 4776.68, 0.00394805/step Wall: 4776.68, 0.00394805/step, 1.42766 hours remaining, 113.675781 MB of memory in use. ENERGY: 1198200 660.0403 1906.3320 1998.0898 104.6079 0.1644 -1100.6464 0.0000 0.0000 2695.0104 6263.5983 297.6714 3568.5880 6295.3210 302.0607 PRESSURE: 1198400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1198400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1198400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1198400 0 0 0 0 0 0 0 0 0 TIMING: 1198400 CPU: 4777.47, 0.00394801/step Wall: 4777.47, 0.00394801/step, 1.42743 hours remaining, 113.675781 MB of memory in use. ENERGY: 1198400 648.6125 1830.5275 1998.7755 107.3440 1.3631 -1089.2724 0.0000 0.0000 2732.0243 6229.3744 301.7597 3497.3502 6261.1469 301.3467 PRESSURE: 1198600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1198600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1198600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1198600 0 0 0 0 0 0 0 0 0 TIMING: 1198600 CPU: 4778.26, 0.0039617/step Wall: 4778.26, 0.0039617/step, 1.43215 hours remaining, 113.675781 MB of memory in use. ENERGY: 1198600 671.6950 1818.7810 1966.6406 106.8318 1.6874 -1069.5817 0.0000 0.0000 2695.9516 6192.0058 297.7754 3496.0542 6226.0555 299.3344 PRESSURE: 1198800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1198800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1198800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1198800 0 0 0 0 0 0 0 0 0 TIMING: 1198800 CPU: 4779.05, 0.00394391/step Wall: 4779.05, 0.00394391/step, 1.42551 hours remaining, 113.675781 MB of memory in use. ENERGY: 1198800 657.2904 1832.8208 1995.5446 105.0560 1.4375 -1083.0767 0.0000 0.0000 2718.3956 6227.4682 300.2544 3509.0726 6261.7822 298.0366 PRESSURE: 1199000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1199000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1199000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1199000 0 0 0 0 0 0 0 0 0 TIMING: 1199000 CPU: 4779.84, 0.00394684/step Wall: 4779.84, 0.00394684/step, 1.42634 hours remaining, 113.675781 MB of memory in use. ENERGY: 1199000 646.9747 1918.4110 2005.5403 101.7385 1.2049 -1109.9374 0.0000 0.0000 2650.8199 6214.7518 292.7904 3563.9319 6243.6975 299.1461 PRESSURE: 1199200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1199200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1199200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1199200 0 0 0 0 0 0 0 0 0 TIMING: 1199200 CPU: 4780.63, 0.00394518/step Wall: 4780.63, 0.00394518/step, 1.42553 hours remaining, 113.675781 MB of memory in use. ENERGY: 1199200 636.6026 1805.7550 2014.2823 111.2299 1.9472 -1109.3102 0.0000 0.0000 2698.0398 6158.5466 298.0060 3460.5067 6192.2464 298.7124 PRESSURE: 1199400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1199400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1199400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1199400 0 0 0 0 0 0 0 0 0 TIMING: 1199400 CPU: 4781.42, 0.00394855/step Wall: 4781.42, 0.00394855/step, 1.42652 hours remaining, 113.675781 MB of memory in use. ENERGY: 1199400 661.7624 1850.1056 1989.6863 117.7201 1.1307 -1130.3440 0.0000 0.0000 2660.9013 6150.9624 293.9040 3490.0611 6183.8110 294.6858 PRESSURE: 1199600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1199600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1199600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1199600 0 0 0 0 0 0 0 0 0 TIMING: 1199600 CPU: 4782.21, 0.00394612/step Wall: 4782.21, 0.00394612/step, 1.42542 hours remaining, 113.675781 MB of memory in use. ENERGY: 1199600 672.2582 1780.4203 2004.6983 106.6655 0.5915 -1128.1107 0.0000 0.0000 2669.0357 6105.5589 294.8024 3436.5232 6138.9902 294.9468 PRESSURE: 1199800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1199800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1199800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1199800 0 0 0 0 0 0 0 0 0 TIMING: 1199800 CPU: 4783, 0.00395797/step Wall: 4783, 0.00395797/step, 1.42949 hours remaining, 113.675781 MB of memory in use. ENERGY: 1199800 623.7208 1823.9457 1960.4776 110.2229 0.5519 -1092.7483 0.0000 0.0000 2644.0904 6070.2611 292.0472 3426.1707 6100.4747 292.5146 PRESSURE: 1200000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1200000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1200000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1200000 0 0 0 0 0 0 0 0 0 TIMING: 1200000 CPU: 4783.79, 0.00395193/step Wall: 4783.79, 0.00395193/step, 1.42709 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1200000 651.6027 1841.8839 1946.4456 99.8269 0.7669 -1113.8799 0.0000 0.0000 2644.6081 6071.2542 292.1043 3426.6461 6103.0548 292.1480 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1200200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1200200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1200200 0 0 0 0 0 0 0 0 0 TIMING: 1200200 CPU: 4790.07, 0.0313912/step Wall: 4790.07, 0.0313912/step, 11.334 hours remaining, 113.675781 MB of memory in use. ENERGY: 1200200 648.0139 1804.4289 2007.5110 118.1379 1.6371 -1109.3259 0.0000 0.0000 2674.0387 6144.4415 295.3550 3470.4028 6176.7922 294.7259 LDB: ============= START OF LOAD BALANCING ============== 4793.03 LDB: ============== END OF LOAD BALANCING =============== 4793.03 LDB: =============== DONE WITH MIGRATION ================ 4793.03 LDB: ============= START OF LOAD BALANCING ============== 4793.42 LDB: ============== END OF LOAD BALANCING =============== 4793.42 LDB: =============== DONE WITH MIGRATION ================ 4793.42 PRESSURE: 1200400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1200400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1200400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1200400 0 0 0 0 0 0 0 0 0 TIMING: 1200400 CPU: 4790.86, 0.00395251/step Wall: 4790.86, 0.00395251/step, 1.42686 hours remaining, 113.675781 MB of memory in use. ENERGY: 1200400 663.6146 1821.4475 1964.3338 111.7859 1.7869 -1068.4093 0.0000 0.0000 2631.4733 6126.0329 290.6536 3494.5595 6156.6648 294.5524 PRESSURE: 1200600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1200600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1200600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1200600 0 0 0 0 0 0 0 0 0 TIMING: 1200600 CPU: 4791.65, 0.00394842/step Wall: 4791.65, 0.00394842/step, 1.42516 hours remaining, 113.675781 MB of memory in use. ENERGY: 1200600 681.2644 1803.4356 1981.6975 122.1296 2.7152 -1096.3362 0.0000 0.0000 2638.2966 6133.2028 291.4072 3494.9062 6165.4165 294.5857 PRESSURE: 1200800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1200800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1200800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1200800 0 0 0 0 0 0 0 0 0 TIMING: 1200800 CPU: 4792.44, 0.00394783/step Wall: 4792.44, 0.00394783/step, 1.42473 hours remaining, 113.675781 MB of memory in use. ENERGY: 1200800 591.7366 1796.6034 1986.2256 114.1533 1.3058 -1075.7859 0.0000 0.0000 2671.0913 6085.3300 295.0295 3414.2387 6120.8286 293.7522 PRESSURE: 1201000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1201000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1201000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1201000 0 0 0 0 0 0 0 0 0 TIMING: 1201000 CPU: 4793.23, 0.00394668/step Wall: 4793.23, 0.00394668/step, 1.4241 hours remaining, 113.675781 MB of memory in use. ENERGY: 1201000 639.0990 1829.0704 1977.5010 106.2078 0.9200 -1088.1904 0.0000 0.0000 2711.4962 6176.1040 299.4923 3464.6078 6208.3487 294.3938 PRESSURE: 1201200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1201200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1201200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1201200 0 0 0 0 0 0 0 0 0 TIMING: 1201200 CPU: 4794.02, 0.00394314/step Wall: 4794.02, 0.00394314/step, 1.4226 hours remaining, 113.675781 MB of memory in use. ENERGY: 1201200 642.9630 1830.2022 1972.8097 107.9695 0.6362 -1081.2466 0.0000 0.0000 2641.5303 6114.8643 291.7644 3473.3340 6144.3702 295.2424 PRESSURE: 1201400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1201400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1201400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1201400 0 0 0 0 0 0 0 0 0 TIMING: 1201400 CPU: 4794.81, 0.00394574/step Wall: 4794.81, 0.00394574/step, 1.42332 hours remaining, 113.675781 MB of memory in use. ENERGY: 1201400 665.8451 1821.3892 1974.9586 115.9183 1.0089 -1099.2708 0.0000 0.0000 2665.6324 6145.4815 294.4265 3479.8491 6178.5996 296.1628 PRESSURE: 1201600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1201600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1201600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1201600 0 0 0 0 0 0 0 0 0 TIMING: 1201600 CPU: 4795.6, 0.00394661/step Wall: 4795.6, 0.00394661/step, 1.42341 hours remaining, 113.675781 MB of memory in use. ENERGY: 1201600 640.1343 1802.2843 1998.5264 110.8503 1.4245 -1077.2343 0.0000 0.0000 2665.8327 6141.8182 294.4486 3475.9856 6177.3973 295.8661 PRESSURE: 1201800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1201800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1201800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1201800 0 0 0 0 0 0 0 0 0 TIMING: 1201800 CPU: 4797.87, 0.0113934/step Wall: 4797.87, 0.0113934/step, 4.10858 hours remaining, 113.675781 MB of memory in use. ENERGY: 1201800 666.4690 1750.6588 2001.5436 102.6614 2.3201 -1090.5909 0.0000 0.0000 2678.6071 6111.6692 295.8596 3433.0621 6143.4447 296.4609 PRESSURE: 1202000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1202000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1202000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1202000 0 0 0 0 0 0 0 0 0 TIMING: 1202000 CPU: 4798.67, 0.00399771/step Wall: 4798.67, 0.0039977/step, 1.44139 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1202000 651.0772 1867.1986 1988.3553 104.2408 1.0397 -1129.2986 0.0000 0.0000 2687.2189 6169.8319 296.8108 3482.6130 6200.7867 293.8157 PRESSURE: 1202200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1202200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1202200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1202200 0 0 0 0 0 0 0 0 0 TIMING: 1202200 CPU: 4799.46, 0.00394674/step Wall: 4799.46, 0.00394675/step, 1.4228 hours remaining, 113.675781 MB of memory in use. ENERGY: 1202200 674.5055 1782.8134 1983.4820 102.5398 2.7427 -1084.1507 0.0000 0.0000 2683.7631 6145.6958 296.4291 3461.9328 6179.4050 295.8330 PRESSURE: 1202400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1202400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1202400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1202400 0 0 0 0 0 0 0 0 0 TIMING: 1202400 CPU: 4800.25, 0.00394664/step Wall: 4800.25, 0.00394664/step, 1.42254 hours remaining, 113.675781 MB of memory in use. ENERGY: 1202400 647.3657 1769.5510 2006.5356 101.1932 2.7972 -1060.3676 0.0000 0.0000 2706.8545 6173.9296 298.9796 3467.0751 6209.2389 294.5823 PRESSURE: 1202600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1202600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1202600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1202600 0 0 0 0 0 0 0 0 0 TIMING: 1202600 CPU: 4801.04, 0.00394632/step Wall: 4801.04, 0.00394632/step, 1.42221 hours remaining, 113.675781 MB of memory in use. ENERGY: 1202600 622.7895 1797.7331 2009.0647 99.7860 3.8365 -1118.6000 0.0000 0.0000 2728.7199 6143.3297 301.3947 3414.6098 6178.1815 297.1125 PRESSURE: 1202800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1202800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1202800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1202800 0 0 0 0 0 0 0 0 0 TIMING: 1202800 CPU: 4801.83, 0.00394765/step Wall: 4801.83, 0.00394765/step, 1.42247 hours remaining, 113.675781 MB of memory in use. ENERGY: 1202800 675.4087 1790.2126 1974.6043 112.5060 2.1186 -1104.3019 0.0000 0.0000 2679.5619 6130.1102 295.9651 3450.5484 6161.6909 296.7505 PRESSURE: 1203000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1203000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1203000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1203000 0 0 0 0 0 0 0 0 0 TIMING: 1203000 CPU: 4802.62, 0.00394843/step Wall: 4802.62, 0.00394843/step, 1.42253 hours remaining, 113.675781 MB of memory in use. ENERGY: 1203000 688.8978 1778.0144 2000.8752 108.4628 2.3601 -1111.0170 0.0000 0.0000 2719.8180 6187.4113 300.4115 3467.5933 6220.8579 297.6664 PRESSURE: 1203200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1203200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1203200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1203200 0 0 0 0 0 0 0 0 0 TIMING: 1203200 CPU: 4803.41, 0.00394892/step Wall: 4803.41, 0.00394892/step, 1.42249 hours remaining, 113.675781 MB of memory in use. ENERGY: 1203200 663.7586 1880.0409 1991.7844 112.8666 2.6481 -1152.8636 0.0000 0.0000 2662.4418 6160.6767 294.0741 3498.2349 6190.8590 297.2904 PRESSURE: 1203400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1203400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1203400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1203400 0 0 0 0 0 0 0 0 0 TIMING: 1203400 CPU: 4804.2, 0.00394814/step Wall: 4804.2, 0.00394814/step, 1.42199 hours remaining, 113.675781 MB of memory in use. ENERGY: 1203400 642.2871 1848.7037 1969.1791 102.1311 1.8834 -1110.7573 0.0000 0.0000 2773.8282 6227.2553 306.3771 3453.4271 6263.2907 298.9238 PRESSURE: 1203600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1203600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1203600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1203600 0 0 0 0 0 0 0 0 0 TIMING: 1203600 CPU: 4804.99, 0.00394483/step Wall: 4804.99, 0.00394483/step, 1.42058 hours remaining, 113.675781 MB of memory in use. ENERGY: 1203600 667.6883 1867.7675 1998.9913 100.5744 1.1647 -1100.8705 0.0000 0.0000 2665.6206 6200.9363 294.4252 3535.3157 6234.0039 299.4804 PRESSURE: 1203800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1203800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1203800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1203800 0 0 0 0 0 0 0 0 0 TIMING: 1203800 CPU: 4805.78, 0.00394692/step Wall: 4805.78, 0.00394692/step, 1.42111 hours remaining, 113.675781 MB of memory in use. ENERGY: 1203800 685.3490 1836.3596 1991.2102 124.8830 1.9429 -1104.7067 0.0000 0.0000 2688.0450 6223.0829 296.9021 3535.0379 6257.0592 298.4470 PRESSURE: 1204000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1204000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1204000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1204000 0 0 0 0 0 0 0 0 0 TIMING: 1204000 CPU: 4806.57, 0.00394692/step Wall: 4806.57, 0.00394692/step, 1.42089 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1204000 658.3508 1835.8212 1978.7885 112.2063 1.7735 -1099.1428 0.0000 0.0000 2743.3874 6231.1850 303.0148 3487.7976 6263.6057 300.2713 PRESSURE: 1204200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1204200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1204200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1204200 0 0 0 0 0 0 0 0 0 TIMING: 1204200 CPU: 4807.36, 0.00394852/step Wall: 4807.36, 0.00394852/step, 1.42125 hours remaining, 113.675781 MB of memory in use. ENERGY: 1204200 657.1119 1894.8241 1983.1885 128.2597 0.1292 -1070.1354 0.0000 0.0000 2701.5505 6294.9285 298.3938 3593.3780 6329.6429 299.6319 LDB: ============= START OF LOAD BALANCING ============== 4810.32 LDB: ============== END OF LOAD BALANCING =============== 4810.32 LDB: =============== DONE WITH MIGRATION ================ 4810.32 LDB: ============= START OF LOAD BALANCING ============== 4810.71 LDB: ============== END OF LOAD BALANCING =============== 4810.71 LDB: =============== DONE WITH MIGRATION ================ 4810.71 PRESSURE: 1204400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1204400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1204400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1204400 0 0 0 0 0 0 0 0 0 TIMING: 1204400 CPU: 4808.15, 0.00395221/step Wall: 4808.15, 0.00395221/step, 1.42236 hours remaining, 113.675781 MB of memory in use. ENERGY: 1204400 647.3452 1832.2716 1972.5270 117.7402 0.2385 -1068.7056 0.0000 0.0000 2789.5479 6290.9647 308.1133 3501.4168 6326.3253 301.9045 PRESSURE: 1204600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1204600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1204600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1204600 0 0 0 0 0 0 0 0 0 TIMING: 1204600 CPU: 4808.94, 0.003945/step Wall: 4808.94, 0.003945/step, 1.41954 hours remaining, 113.675781 MB of memory in use. ENERGY: 1204600 648.3388 1876.0427 1977.0729 106.4336 0.8970 -1081.9273 0.0000 0.0000 2740.9247 6267.7824 302.7428 3526.8577 6301.8403 302.9278 PRESSURE: 1204800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1204800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1204800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1204800 0 0 0 0 0 0 0 0 0 TIMING: 1204800 CPU: 4809.73, 0.00394788/step Wall: 4809.73, 0.00394788/step, 1.42036 hours remaining, 113.675781 MB of memory in use. ENERGY: 1204800 656.3312 1858.3425 1971.9217 119.0755 2.8053 -1049.0510 0.0000 0.0000 2767.6240 6327.0493 305.6918 3559.4253 6358.8085 304.9705 PRESSURE: 1205000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1205000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1205000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1205000 0 0 0 0 0 0 0 0 0 TIMING: 1205000 CPU: 4810.52, 0.0039473/step Wall: 4810.52, 0.0039473/step, 1.41993 hours remaining, 113.675781 MB of memory in use. ENERGY: 1205000 675.7721 1856.4430 2018.9420 111.8235 -0.4789 -1091.8391 0.0000 0.0000 2779.6184 6350.2809 307.0166 3570.6625 6381.6609 303.8306 PRESSURE: 1205200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1205200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1205200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1205200 0 0 0 0 0 0 0 0 0 TIMING: 1205200 CPU: 4811.31, 0.00394907/step Wall: 4811.31, 0.00394907/step, 1.42035 hours remaining, 113.675781 MB of memory in use. ENERGY: 1205200 649.0229 1884.6131 1959.3441 107.6001 1.5109 -1037.4819 0.0000 0.0000 2710.8934 6275.5026 299.4257 3564.6091 6306.9043 303.2152 PRESSURE: 1205400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1205400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1205400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1205400 0 0 0 0 0 0 0 0 0 TIMING: 1205400 CPU: 4812.1, 0.00394419/step Wall: 4812.1, 0.00394419/step, 1.41837 hours remaining, 113.675781 MB of memory in use. ENERGY: 1205400 654.3461 1820.8737 1960.0532 113.1243 0.7478 -1046.6431 0.0000 0.0000 2710.3377 6212.8397 299.3644 3502.5020 6248.0494 300.5755 PRESSURE: 1205600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1205600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1205600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1205600 0 0 0 0 0 0 0 0 0 TIMING: 1205600 CPU: 4812.88, 0.00394629/step Wall: 4812.88, 0.00394629/step, 1.41891 hours remaining, 113.675781 MB of memory in use. ENERGY: 1205600 629.1903 1859.4289 2000.5111 106.9839 0.4799 -1059.7091 0.0000 0.0000 2739.2428 6276.1279 302.5570 3536.8851 6311.1329 300.6607 PRESSURE: 1205800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1205800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1205800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1205800 0 0 0 0 0 0 0 0 0 TIMING: 1205800 CPU: 4813.67, 0.00394819/step Wall: 4813.67, 0.00394819/step, 1.41938 hours remaining, 113.675781 MB of memory in use. ENERGY: 1205800 686.1306 1896.3366 1985.9238 98.7225 1.1812 -1121.0082 0.0000 0.0000 2679.4065 6226.6929 295.9479 3547.2865 6258.8775 300.2632 PRESSURE: 1206000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1206000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1206000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1206000 0 0 0 0 0 0 0 0 0 TIMING: 1206000 CPU: 4814.46, 0.00394838/step Wall: 4814.46, 0.00394838/step, 1.41922 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1206000 679.5739 1868.6325 2001.4401 113.2962 2.3506 -1072.4913 0.0000 0.0000 2721.2205 6314.0224 300.5664 3592.8020 6343.3107 301.7870 PRESSURE: 1206200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1206200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1206200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1206200 0 0 0 0 0 0 0 0 0 TIMING: 1206200 CPU: 4815.25, 0.00394731/step Wall: 4815.25, 0.00394731/step, 1.41862 hours remaining, 113.675781 MB of memory in use. ENERGY: 1206200 616.6891 1894.2095 1984.2719 114.1649 3.2475 -1066.3205 0.0000 0.0000 2724.8413 6271.1037 300.9663 3546.2623 6306.8693 303.3933 PRESSURE: 1206400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1206400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1206400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1206400 0 0 0 0 0 0 0 0 0 TIMING: 1206400 CPU: 4816.04, 0.0039445/step Wall: 4816.04, 0.0039445/step, 1.41739 hours remaining, 113.675781 MB of memory in use. ENERGY: 1206400 690.3477 1865.8977 1987.5946 111.0520 1.9761 -1096.9287 0.0000 0.0000 2689.3968 6249.3363 297.0514 3559.9394 6282.6943 301.0078 PRESSURE: 1206600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1206600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1206600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1206600 0 0 0 0 0 0 0 0 0 TIMING: 1206600 CPU: 4816.83, 0.00394693/step Wall: 4816.83, 0.00394693/step, 1.41804 hours remaining, 113.675781 MB of memory in use. ENERGY: 1206600 679.5094 1919.3300 1981.5872 112.8046 2.8857 -1119.0555 0.0000 0.0000 2708.5055 6285.5668 299.1620 3577.0613 6317.9207 300.9618 PRESSURE: 1206800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1206800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1206800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1206800 0 0 0 0 0 0 0 0 0 TIMING: 1206800 CPU: 4817.62, 0.00394588/step Wall: 4817.62, 0.00394588/step, 1.41745 hours remaining, 113.675781 MB of memory in use. ENERGY: 1206800 650.3293 1880.4158 2015.1466 106.3642 2.2822 -1082.9279 0.0000 0.0000 2761.7327 6333.3429 305.0411 3571.6102 6366.5993 305.1878 PRESSURE: 1207000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1207000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1207000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1207000 0 0 0 0 0 0 0 0 0 TIMING: 1207000 CPU: 4818.41, 0.00395334/step Wall: 4818.41, 0.00395334/step, 1.41991 hours remaining, 113.675781 MB of memory in use. ENERGY: 1207000 658.3662 1814.3316 1991.2936 106.8856 2.5330 -1082.2944 0.0000 0.0000 2755.2711 6246.3866 304.3274 3491.1156 6282.6395 301.2516 PRESSURE: 1207200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1207200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1207200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1207200 0 0 0 0 0 0 0 0 0 TIMING: 1207200 CPU: 4819.2, 0.00394598/step Wall: 4819.2, 0.00394598/step, 1.41705 hours remaining, 113.675781 MB of memory in use. ENERGY: 1207200 639.0934 1874.6090 1991.0938 114.5589 2.1618 -1070.3539 0.0000 0.0000 2707.8333 6258.9964 299.0877 3551.1631 6292.7494 300.0666 PRESSURE: 1207400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1207400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1207400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1207400 0 0 0 0 0 0 0 0 0 TIMING: 1207400 CPU: 4819.99, 0.00394349/step Wall: 4819.99, 0.00394349/step, 1.41593 hours remaining, 113.675781 MB of memory in use. ENERGY: 1207400 678.7102 1789.3274 1974.4943 111.8593 1.5727 -1039.0991 0.0000 0.0000 2732.5955 6249.4604 301.8228 3516.8649 6283.2811 301.2718 PRESSURE: 1207600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1207600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1207600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1207600 0 0 0 0 0 0 0 0 0 TIMING: 1207600 CPU: 4820.78, 0.00394648/step Wall: 4820.78, 0.00394648/step, 1.41678 hours remaining, 113.675781 MB of memory in use. ENERGY: 1207600 675.3244 1776.3690 2013.8884 101.3608 1.0031 -1062.3404 0.0000 0.0000 2781.7924 6287.3978 307.2567 3505.6053 6324.2466 300.7751 PRESSURE: 1207800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1207800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1207800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1207800 0 0 0 0 0 0 0 0 0 TIMING: 1207800 CPU: 4821.57, 0.00394714/step Wall: 4821.57, 0.00394714/step, 1.41681 hours remaining, 113.675781 MB of memory in use. ENERGY: 1207800 655.4669 1854.2048 2000.6770 100.2322 2.5176 -1067.0345 0.0000 0.0000 2722.0044 6268.0685 300.6530 3546.0641 6299.2118 300.8480 PRESSURE: 1208000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1208000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1208000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1208000 0 0 0 0 0 0 0 0 0 TIMING: 1208000 CPU: 4822.36, 0.00394663/step Wall: 4822.36, 0.00394663/step, 1.4164 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1208000 644.4561 1822.0323 2007.2670 104.5023 1.3834 -1075.8565 0.0000 0.0000 2757.3736 6261.1582 304.5596 3503.7846 6295.3111 301.0455 PRESSURE: 1208200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1208200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1208200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1208200 0 0 0 0 0 0 0 0 0 TIMING: 1208200 CPU: 4823.15, 0.00394641/step Wall: 4823.15, 0.00394641/step, 1.4161 hours remaining, 113.675781 MB of memory in use. ENERGY: 1208200 625.4474 1828.2872 1988.9119 107.8854 0.9428 -1055.3491 0.0000 0.0000 2774.5263 6270.6518 306.4542 3496.1255 6306.0360 299.7554 LDB: ============= START OF LOAD BALANCING ============== 4826.11 LDB: ============== END OF LOAD BALANCING =============== 4826.11 LDB: =============== DONE WITH MIGRATION ================ 4826.11 LDB: ============= START OF LOAD BALANCING ============== 4826.5 LDB: ============== END OF LOAD BALANCING =============== 4826.5 LDB: =============== DONE WITH MIGRATION ================ 4826.5 PRESSURE: 1208400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1208400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1208400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1208400 0 0 0 0 0 0 0 0 0 TIMING: 1208400 CPU: 4823.94, 0.00395075/step Wall: 4823.94, 0.00395075/step, 1.41744 hours remaining, 113.675781 MB of memory in use. ENERGY: 1208400 645.7033 1805.4519 1982.4274 109.2226 1.7439 -1060.9934 0.0000 0.0000 2758.2252 6241.7809 304.6537 3483.5556 6273.3488 301.0713 PRESSURE: 1208600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1208600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1208600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1208600 0 0 0 0 0 0 0 0 0 TIMING: 1208600 CPU: 4824.73, 0.00394756/step Wall: 4824.73, 0.00394756/step, 1.41608 hours remaining, 113.675781 MB of memory in use. ENERGY: 1208600 680.2273 1787.9584 2007.3787 102.4303 2.7144 -1038.5204 0.0000 0.0000 2746.2215 6288.4102 303.3278 3542.1887 6322.3278 300.4873 PRESSURE: 1208800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1208800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1208800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1208800 0 0 0 0 0 0 0 0 0 TIMING: 1208800 CPU: 4825.52, 0.00394802/step Wall: 4825.52, 0.00394802/step, 1.41602 hours remaining, 113.675781 MB of memory in use. ENERGY: 1208800 637.6601 1866.5336 1976.7240 86.5096 1.8656 -1069.5407 0.0000 0.0000 2724.0748 6223.8269 300.8816 3499.7521 6257.0900 299.8452 PRESSURE: 1209000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1209000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1209000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1209000 0 0 0 0 0 0 0 0 0 TIMING: 1209000 CPU: 4826.31, 0.00394704/step Wall: 4826.31, 0.00394704/step, 1.41545 hours remaining, 113.675781 MB of memory in use. ENERGY: 1209000 671.3558 1851.0516 1975.9076 116.8230 2.8158 -1066.3679 0.0000 0.0000 2703.7677 6255.3536 298.6387 3551.5860 6286.8045 300.6282 PRESSURE: 1209200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1209200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1209200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1209200 0 0 0 0 0 0 0 0 0 TIMING: 1209200 CPU: 4827.09, 0.00394544/step Wall: 4827.09, 0.00394544/step, 1.41466 hours remaining, 113.675781 MB of memory in use. ENERGY: 1209200 647.5596 1872.2973 1997.3118 104.7976 1.9614 -1061.4417 0.0000 0.0000 2681.8217 6244.3077 296.2147 3562.4860 6275.0426 300.0019 PRESSURE: 1209400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1209400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1209400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1209400 0 0 0 0 0 0 0 0 0 TIMING: 1209400 CPU: 4827.88, 0.00394793/step Wall: 4827.88, 0.00394793/step, 1.41533 hours remaining, 113.675781 MB of memory in use. ENERGY: 1209400 617.7280 1850.3447 1994.7616 97.5179 3.0510 -1089.9021 0.0000 0.0000 2735.5333 6209.0345 302.1473 3473.5012 6242.4590 299.1361 PRESSURE: 1209600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1209600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1209600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1209600 0 0 0 0 0 0 0 0 0 TIMING: 1209600 CPU: 4828.67, 0.00394933/step Wall: 4828.67, 0.00394933/step, 1.41561 hours remaining, 113.675781 MB of memory in use. ENERGY: 1209600 641.0764 1865.2518 2009.2409 111.5428 2.3232 -1097.7374 0.0000 0.0000 2632.1342 6163.8319 290.7266 3531.6977 6198.1422 295.8986 PRESSURE: 1209800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1209800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1209800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1209800 0 0 0 0 0 0 0 0 0 TIMING: 1209800 CPU: 4829.46, 0.00394932/step Wall: 4829.46, 0.00394932/step, 1.41539 hours remaining, 113.675781 MB of memory in use. ENERGY: 1209800 618.0204 1845.2169 1983.6026 99.2041 2.8556 -1080.6625 0.0000 0.0000 2663.5777 6131.8145 294.1996 3468.2369 6161.4606 294.6553 PRESSURE: 1210000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1210000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1210000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1210000 0 0 0 0 0 0 0 0 0 TIMING: 1210000 CPU: 4830.25, 0.00394921/step Wall: 4830.25, 0.00394921/step, 1.41513 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1210000 635.4693 1860.7010 1965.6888 93.7739 2.8931 -1059.7167 0.0000 0.0000 2625.8727 6124.6822 290.0350 3498.8095 6155.5466 294.2757 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1210000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1210000 WRITING COORDINATES TO RESTART FILE AT STEP 1210000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1210000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1210200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1210200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1210200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1210200 0 0 0 0 0 0 0 0 0 TIMING: 1210200 CPU: 4832.82, 0.0128186/step Wall: 4832.82, 0.0128186/step, 4.59261 hours remaining, 113.675781 MB of memory in use. ENERGY: 1210200 657.4757 1786.3914 1978.8302 103.3493 3.0815 -1083.7135 0.0000 0.0000 2691.3152 6136.7299 297.2633 3445.4147 6171.1308 294.4577 PRESSURE: 1210400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1210400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1210400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1210400 0 0 0 0 0 0 0 0 0 TIMING: 1210400 CPU: 4833.61, 0.00395038/step Wall: 4833.61, 0.00395038/step, 1.41512 hours remaining, 113.675781 MB of memory in use. ENERGY: 1210400 640.9388 1865.7622 1964.2886 118.8122 2.1772 -1109.3678 0.0000 0.0000 2668.0076 6150.6189 294.6889 3482.6112 6182.2122 295.9865 PRESSURE: 1210600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1210600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1210600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1210600 0 0 0 0 0 0 0 0 0 TIMING: 1210600 CPU: 4834.4, 0.00394991/step Wall: 4834.4, 0.00394991/step, 1.41472 hours remaining, 113.675781 MB of memory in use. ENERGY: 1210600 646.8905 1826.0968 1958.0023 97.2932 2.6184 -1119.4820 0.0000 0.0000 2742.9103 6154.3295 302.9621 3411.4193 6188.5005 295.0751 PRESSURE: 1210800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1210800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1210800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1210800 0 0 0 0 0 0 0 0 0 TIMING: 1210800 CPU: 4835.19, 0.00394946/step Wall: 4835.19, 0.00394946/step, 1.41435 hours remaining, 113.675781 MB of memory in use. ENERGY: 1210800 669.5338 1834.4373 1981.3714 113.9218 1.8878 -1104.6534 0.0000 0.0000 2681.0166 6177.5152 296.1257 3496.4987 6209.8112 298.8510 PRESSURE: 1211000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1211000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1211000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1211000 0 0 0 0 0 0 0 0 0 TIMING: 1211000 CPU: 4835.98, 0.00394423/step Wall: 4835.98, 0.00394423/step, 1.41226 hours remaining, 113.675781 MB of memory in use. ENERGY: 1211000 633.5703 1865.8273 1989.2927 114.9029 1.5560 -1088.9589 0.0000 0.0000 2647.0710 6163.2613 292.3764 3516.1903 6194.1448 296.8350 PRESSURE: 1211200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1211200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1211200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1211200 0 0 0 0 0 0 0 0 0 TIMING: 1211200 CPU: 4836.77, 0.00394871/step Wall: 4836.77, 0.00394871/step, 1.41364 hours remaining, 113.675781 MB of memory in use. ENERGY: 1211200 621.8249 1823.1814 1984.7364 104.8446 2.6242 -1089.5758 0.0000 0.0000 2756.2853 6203.9211 304.4394 3447.6358 6239.2973 297.0428 PRESSURE: 1211400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1211400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1211400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1211400 0 0 0 0 0 0 0 0 0 TIMING: 1211400 CPU: 4837.56, 0.00394852/step Wall: 4837.56, 0.00394851/step, 1.41335 hours remaining, 113.675781 MB of memory in use. ENERGY: 1211400 629.8461 1808.8829 1990.1450 126.6379 2.1289 -1081.9810 0.0000 0.0000 2681.5181 6157.1778 296.1811 3475.6597 6190.4103 297.5477 PRESSURE: 1211600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1211600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1211600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1211600 0 0 0 0 0 0 0 0 0 TIMING: 1211600 CPU: 4838.35, 0.00394882/step Wall: 4838.35, 0.00394883/step, 1.41324 hours remaining, 113.675781 MB of memory in use. ENERGY: 1211600 658.3204 1838.7045 1967.7275 108.0565 2.5288 -1094.3732 0.0000 0.0000 2694.4987 6175.4633 297.6149 3480.9646 6209.0781 297.2083 PRESSURE: 1211800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1211800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1211800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1211800 0 0 0 0 0 0 0 0 0 TIMING: 1211800 CPU: 4839.13, 0.00394464/step Wall: 4839.13, 0.00394464/step, 1.41153 hours remaining, 113.675781 MB of memory in use. ENERGY: 1211800 661.2032 1868.5363 1984.9455 105.2133 1.3495 -1139.3706 0.0000 0.0000 2702.8657 6184.7429 298.5390 3481.8773 6218.3913 297.0162 PRESSURE: 1212000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1212000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1212000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1212000 0 0 0 0 0 0 0 0 0 TIMING: 1212000 CPU: 4839.92, 0.00394662/step Wall: 4839.92, 0.00394662/step, 1.41201 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1212000 674.7338 1822.9245 1976.8085 103.0777 1.0526 -1116.0592 0.0000 0.0000 2724.1524 6186.6903 300.8902 3462.5379 6220.8685 299.2388 PRESSURE: 1212200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1212200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1212200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1212200 0 0 0 0 0 0 0 0 0 TIMING: 1212200 CPU: 4840.71, 0.00394765/step Wall: 4840.71, 0.00394765/step, 1.41216 hours remaining, 113.675781 MB of memory in use. ENERGY: 1212200 679.4648 1832.8738 1972.4844 101.8165 2.7967 -1100.2841 0.0000 0.0000 2671.3516 6160.5037 295.0582 3489.1522 6191.5718 297.6647 LDB: ============= START OF LOAD BALANCING ============== 4843.67 LDB: ============== END OF LOAD BALANCING =============== 4843.67 LDB: =============== DONE WITH MIGRATION ================ 4843.67 LDB: ============= START OF LOAD BALANCING ============== 4844.07 LDB: ============== END OF LOAD BALANCING =============== 4844.07 LDB: =============== DONE WITH MIGRATION ================ 4844.07 PRESSURE: 1212400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1212400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1212400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1212400 0 0 0 0 0 0 0 0 0 TIMING: 1212400 CPU: 4841.5, 0.00395384/step Wall: 4841.5, 0.00395384/step, 1.41416 hours remaining, 113.675781 MB of memory in use. ENERGY: 1212400 674.7102 1822.3969 1972.9302 105.9853 1.6613 -1085.5825 0.0000 0.0000 2692.6482 6184.7496 297.4105 3492.1014 6216.9975 295.6455 PRESSURE: 1212600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1212600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1212600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1212600 0 0 0 0 0 0 0 0 0 TIMING: 1212600 CPU: 4842.29, 0.00394803/step Wall: 4842.29, 0.00394803/step, 1.41186 hours remaining, 113.675781 MB of memory in use. ENERGY: 1212600 653.6608 1803.2321 1997.7751 122.8887 0.0294 -1060.9550 0.0000 0.0000 2725.7794 6242.4104 301.0699 3516.6311 6275.4398 298.5060 PRESSURE: 1212800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1212800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1212800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1212800 0 0 0 0 0 0 0 0 0 TIMING: 1212800 CPU: 4843.08, 0.00395476/step Wall: 4843.08, 0.00395476/step, 1.41405 hours remaining, 113.675781 MB of memory in use. ENERGY: 1212800 613.4529 1870.5935 1978.9555 108.3000 2.2396 -1039.6294 0.0000 0.0000 2698.3353 6232.2473 298.0386 3533.9120 6266.6587 299.8896 PRESSURE: 1213000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1213000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1213000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1213000 0 0 0 0 0 0 0 0 0 TIMING: 1213000 CPU: 4843.87, 0.00395128/step Wall: 4843.87, 0.00395128/step, 1.41258 hours remaining, 113.675781 MB of memory in use. ENERGY: 1213000 668.3149 1840.2178 1943.3741 99.0839 -0.5034 -1058.4290 0.0000 0.0000 2751.2010 6243.2594 303.8778 3492.0584 6277.2879 298.7821 PRESSURE: 1213200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1213200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1213200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1213200 0 0 0 0 0 0 0 0 0 TIMING: 1213200 CPU: 4844.67, 0.00395257/step Wall: 4844.67, 0.00395257/step, 1.41282 hours remaining, 113.675781 MB of memory in use. ENERGY: 1213200 711.1113 1857.8007 2004.3823 113.7646 1.8922 -1085.1105 0.0000 0.0000 2661.6233 6265.4639 293.9837 3603.8407 6296.9164 301.7928 PRESSURE: 1213400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1213400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1213400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1213400 0 0 0 0 0 0 0 0 0 TIMING: 1213400 CPU: 4845.46, 0.0039492/step Wall: 4845.46, 0.0039492/step, 1.4114 hours remaining, 113.675781 MB of memory in use. ENERGY: 1213400 648.9331 1793.2580 1978.7904 117.2926 0.8673 -1062.3592 0.0000 0.0000 2787.7126 6264.4948 307.9106 3476.7822 6298.7779 300.4093 PRESSURE: 1213600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1213600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1213600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1213600 0 0 0 0 0 0 0 0 0 TIMING: 1213600 CPU: 4846.24, 0.00394869/step Wall: 4846.24, 0.00394869/step, 1.411 hours remaining, 113.675781 MB of memory in use. ENERGY: 1213600 655.2601 1840.3183 1982.0406 98.9284 1.6870 -1062.3565 0.0000 0.0000 2703.5735 6219.4514 298.6172 3515.8779 6253.4446 301.5931 PRESSURE: 1213800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1213800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1213800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1213800 0 0 0 0 0 0 0 0 0 TIMING: 1213800 CPU: 4847.03, 0.00394496/step Wall: 4847.03, 0.00394496/step, 1.40945 hours remaining, 113.675781 MB of memory in use. ENERGY: 1213800 629.0735 1840.3128 2011.2926 119.6742 0.5065 -1100.9260 0.0000 0.0000 2720.6784 6220.6121 300.5065 3499.9336 6252.5740 298.1860 PRESSURE: 1214000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1214000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1214000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1214000 0 0 0 0 0 0 0 0 0 TIMING: 1214000 CPU: 4847.82, 0.00394801/step Wall: 4847.82, 0.00394801/step, 1.41032 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1214000 632.9098 1849.2745 1975.6472 116.0005 1.7212 -1106.1839 0.0000 0.0000 2702.0079 6171.3772 298.4443 3469.3692 6204.7080 298.2655 PRESSURE: 1214200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1214200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1214200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1214200 0 0 0 0 0 0 0 0 0 TIMING: 1214200 CPU: 4848.61, 0.00394771/step Wall: 4848.61, 0.0039477/step, 1.40999 hours remaining, 113.675781 MB of memory in use. ENERGY: 1214200 666.2142 1851.6691 1977.0992 98.8344 0.4633 -1111.3509 0.0000 0.0000 2654.9527 6137.8820 293.2469 3482.9293 6166.7100 295.2891 PRESSURE: 1214400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1214400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1214400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1214400 0 0 0 0 0 0 0 0 0 TIMING: 1214400 CPU: 4849.4, 0.00394786/step Wall: 4849.4, 0.00394786/step, 1.40983 hours remaining, 113.675781 MB of memory in use. ENERGY: 1214400 656.9977 1861.6138 1980.8367 121.0923 3.2961 -1109.3952 0.0000 0.0000 2660.6616 6175.1029 293.8775 3514.4414 6208.6914 295.6549 PRESSURE: 1214600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1214600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1214600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1214600 0 0 0 0 0 0 0 0 0 TIMING: 1214600 CPU: 4850.19, 0.00394518/step Wall: 4850.19, 0.00394518/step, 1.40865 hours remaining, 113.675781 MB of memory in use. ENERGY: 1214600 660.4297 1855.2818 1964.3570 103.6689 1.0952 -1120.8241 0.0000 0.0000 2732.5778 6196.5863 301.8208 3464.0085 6228.2633 297.7338 PRESSURE: 1214800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1214800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1214800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1214800 0 0 0 0 0 0 0 0 0 TIMING: 1214800 CPU: 4850.98, 0.00394807/step Wall: 4850.98, 0.00394807/step, 1.40946 hours remaining, 113.675781 MB of memory in use. ENERGY: 1214800 650.9106 1806.0409 1976.2992 116.9733 0.5063 -1074.5572 0.0000 0.0000 2655.1558 6131.3289 293.2694 3476.1731 6163.7372 296.4066 PRESSURE: 1215000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1215000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1215000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1215000 0 0 0 0 0 0 0 0 0 TIMING: 1215000 CPU: 4851.77, 0.00394801/step Wall: 4851.77, 0.00394801/step, 1.40922 hours remaining, 113.675781 MB of memory in use. ENERGY: 1215000 630.3098 1813.0737 1983.7637 108.2541 0.5656 -1036.4088 0.0000 0.0000 2655.8346 6155.3926 293.3443 3499.5580 6186.5523 294.8183 PRESSURE: 1215200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1215200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1215200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1215200 0 0 0 0 0 0 0 0 0 TIMING: 1215200 CPU: 4852.56, 0.00394787/step Wall: 4852.56, 0.00394787/step, 1.40895 hours remaining, 113.675781 MB of memory in use. ENERGY: 1215200 649.8100 1807.5080 1976.3034 94.3775 0.7802 -1074.6640 0.0000 0.0000 2714.0354 6168.1504 299.7728 3454.1150 6202.6913 295.9776 PRESSURE: 1215400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1215400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1215400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1215400 0 0 0 0 0 0 0 0 0 TIMING: 1215400 CPU: 4853.35, 0.00394687/step Wall: 4853.35, 0.00394687/step, 1.40837 hours remaining, 113.675781 MB of memory in use. ENERGY: 1215400 627.5551 1893.9422 1964.2388 116.7882 2.0648 -1057.9876 0.0000 0.0000 2673.2177 6219.8192 295.2643 3546.6015 6254.0387 299.2972 PRESSURE: 1215600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1215600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1215600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1215600 0 0 0 0 0 0 0 0 0 TIMING: 1215600 CPU: 4854.14, 0.00394311/step Wall: 4854.14, 0.00394311/step, 1.40682 hours remaining, 113.675781 MB of memory in use. ENERGY: 1215600 659.2903 1803.2908 1988.6244 105.6727 2.1254 -1110.2561 0.0000 0.0000 2711.9410 6160.6884 299.5414 3448.7474 6196.8193 297.9062 PRESSURE: 1215800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1215800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1215800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1215800 0 0 0 0 0 0 0 0 0 TIMING: 1215800 CPU: 4854.93, 0.00394754/step Wall: 4854.93, 0.00394754/step, 1.40818 hours remaining, 113.675781 MB of memory in use. ENERGY: 1215800 659.4109 1804.0438 1978.4659 106.0991 1.3889 -1069.0222 0.0000 0.0000 2652.6934 6133.0798 292.9974 3480.3864 6166.3733 298.1520 PRESSURE: 1216000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1216000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1216000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1216000 0 0 0 0 0 0 0 0 0 TIMING: 1216000 CPU: 4855.72, 0.00394928/step Wall: 4855.72, 0.00394928/step, 1.40857 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1216000 651.1483 1822.9712 1973.5087 105.3798 0.1612 -1062.3563 0.0000 0.0000 2692.2513 6183.0643 297.3667 3490.8130 6216.5761 295.2573 PRESSURE: 1216200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1216200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1216200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1216200 0 0 0 0 0 0 0 0 0 TIMING: 1216200 CPU: 4856.51, 0.00394956/step Wall: 4856.51, 0.00394956/step, 1.40846 hours remaining, 113.675781 MB of memory in use. ENERGY: 1216200 707.2705 1828.2569 2004.2428 120.7306 1.0358 -1092.4140 0.0000 0.0000 2621.7671 6190.8897 289.5815 3569.1226 6221.9257 295.1128 LDB: ============= START OF LOAD BALANCING ============== 4859.47 LDB: ============== END OF LOAD BALANCING =============== 4859.47 LDB: =============== DONE WITH MIGRATION ================ 4859.47 LDB: ============= START OF LOAD BALANCING ============== 4859.86 LDB: ============== END OF LOAD BALANCING =============== 4859.86 LDB: =============== DONE WITH MIGRATION ================ 4859.86 PRESSURE: 1216400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1216400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1216400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1216400 0 0 0 0 0 0 0 0 0 TIMING: 1216400 CPU: 4857.3, 0.00395526/step Wall: 4857.3, 0.00395526/step, 1.41027 hours remaining, 113.675781 MB of memory in use. ENERGY: 1216400 641.1357 1810.9983 1987.1665 115.3228 1.4387 -1088.8715 0.0000 0.0000 2742.6962 6209.8867 302.9384 3467.1905 6246.2463 298.3690 PRESSURE: 1216600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1216600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1216600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1216600 0 0 0 0 0 0 0 0 0 TIMING: 1216600 CPU: 4858.09, 0.00394493/step Wall: 4858.09, 0.00394493/step, 1.40637 hours remaining, 113.675781 MB of memory in use. ENERGY: 1216600 662.5810 1785.6322 1966.3121 116.3797 0.9889 -1040.8293 0.0000 0.0000 2753.9649 6245.0294 304.1831 3491.0645 6276.2976 300.5422 PRESSURE: 1216800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1216800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1216800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1216800 0 0 0 0 0 0 0 0 0 TIMING: 1216800 CPU: 4858.88, 0.00396233/step Wall: 4858.88, 0.00396233/step, 1.41235 hours remaining, 113.675781 MB of memory in use. ENERGY: 1216800 633.3077 1831.0816 1966.7114 109.6113 2.1730 -1039.2901 0.0000 0.0000 2772.5758 6276.1707 306.2387 3503.5948 6311.3171 300.0414 PRESSURE: 1217000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1217000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1217000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1217000 0 0 0 0 0 0 0 0 0 TIMING: 1217000 CPU: 4859.67, 0.00394827/step Wall: 4859.67, 0.00394827/step, 1.40712 hours remaining, 113.675781 MB of memory in use. ENERGY: 1217000 668.5463 1854.5155 1988.4640 102.2990 1.2366 -1081.1213 0.0000 0.0000 2716.7113 6250.6514 300.0683 3533.9400 6285.4108 301.1153 PRESSURE: 1217200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1217200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1217200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1217200 0 0 0 0 0 0 0 0 0 TIMING: 1217200 CPU: 4860.46, 0.00394772/step Wall: 4860.46, 0.00394772/step, 1.4067 hours remaining, 113.675781 MB of memory in use. ENERGY: 1217200 640.7943 1851.6532 1972.1900 110.8647 1.5387 -1112.6988 0.0000 0.0000 2750.6605 6215.0024 303.8181 3464.3419 6249.8543 299.7478 PRESSURE: 1217400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1217400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1217400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1217400 0 0 0 0 0 0 0 0 0 TIMING: 1217400 CPU: 4861.25, 0.00395205/step Wall: 4861.25, 0.00395205/step, 1.40803 hours remaining, 113.675781 MB of memory in use. ENERGY: 1217400 657.4950 1870.0912 2015.8621 108.8505 2.5192 -1084.5329 0.0000 0.0000 2706.1377 6276.4228 298.9004 3570.2851 6309.9629 302.4805 PRESSURE: 1217600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1217600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1217600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1217600 0 0 0 0 0 0 0 0 0 TIMING: 1217600 CPU: 4862.04, 0.00394464/step Wall: 4862.04, 0.00394464/step, 1.40517 hours remaining, 113.675781 MB of memory in use. ENERGY: 1217600 662.7102 1882.2449 2034.0398 102.0828 1.6381 -1087.1185 0.0000 0.0000 2691.5784 6287.1757 297.2923 3595.5973 6318.3389 300.8670 PRESSURE: 1217800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1217800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1217800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1217800 0 0 0 0 0 0 0 0 0 TIMING: 1217800 CPU: 4862.83, 0.00394901/step Wall: 4862.83, 0.00394901/step, 1.4065 hours remaining, 113.675781 MB of memory in use. ENERGY: 1217800 672.1228 1871.1441 1996.5585 106.3477 1.6301 -1078.4927 0.0000 0.0000 2708.2396 6277.5502 299.1326 3569.3106 6311.0555 302.6116 PRESSURE: 1218000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1218000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1218000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1218000 0 0 0 0 0 0 0 0 0 TIMING: 1218000 CPU: 4863.62, 0.00395056/step Wall: 4863.62, 0.00395056/step, 1.40684 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1218000 675.9483 1804.1885 1999.2858 120.7572 2.7085 -1065.3701 0.0000 0.0000 2748.9521 6286.4704 303.6294 3537.5183 6320.7051 301.4420 PRESSURE: 1218200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1218200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1218200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1218200 0 0 0 0 0 0 0 0 0 TIMING: 1218200 CPU: 4864.41, 0.00395042/step Wall: 4864.41, 0.00395042/step, 1.40657 hours remaining, 113.675781 MB of memory in use. ENERGY: 1218200 652.7264 1870.2891 2003.0623 105.9297 1.5032 -1071.0060 0.0000 0.0000 2730.5908 6293.0956 301.6014 3562.5048 6325.6684 301.4117 PRESSURE: 1218400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1218400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1218400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1218400 0 0 0 0 0 0 0 0 0 TIMING: 1218400 CPU: 4865.2, 0.0039442/step Wall: 4865.2, 0.0039442/step, 1.40413 hours remaining, 113.675781 MB of memory in use. ENERGY: 1218400 651.8153 1823.2424 2020.4193 108.3223 0.5860 -1054.1300 0.0000 0.0000 2737.7013 6287.9566 302.3867 3550.2553 6323.4962 302.0568 PRESSURE: 1218600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1218600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1218600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1218600 0 0 0 0 0 0 0 0 0 TIMING: 1218600 CPU: 4866.81, 0.00805871/step Wall: 4866.81, 0.00805871/step, 2.86845 hours remaining, 113.675781 MB of memory in use. ENERGY: 1218600 708.9455 1846.1596 1997.7268 104.8910 0.6090 -1088.6969 0.0000 0.0000 2756.6255 6326.2606 304.4770 3569.6351 6359.7290 303.2663 PRESSURE: 1218800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1218800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1218800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1218800 0 0 0 0 0 0 0 0 0 TIMING: 1218800 CPU: 4867.6, 0.00397135/step Wall: 4867.6, 0.00397135/step, 1.41336 hours remaining, 113.675781 MB of memory in use. ENERGY: 1218800 654.5080 1860.9942 2013.2111 106.3985 1.3169 -1081.2882 0.0000 0.0000 2735.2730 6290.4134 302.1185 3555.1404 6324.0778 304.1411 PRESSURE: 1219000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1219000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1219000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1219000 0 0 0 0 0 0 0 0 0 TIMING: 1219000 CPU: 4868.39, 0.00394955/step Wall: 4868.39, 0.00394955/step, 1.40538 hours remaining, 113.675781 MB of memory in use. ENERGY: 1219000 663.0013 1858.2849 1983.5388 111.5315 1.3431 -1075.9699 0.0000 0.0000 2779.0862 6320.8159 306.9578 3541.7297 6355.2514 304.0368 PRESSURE: 1219200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1219200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1219200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1219200 0 0 0 0 0 0 0 0 0 TIMING: 1219200 CPU: 4869.18, 0.00394433/step Wall: 4869.18, 0.00394433/step, 1.40331 hours remaining, 113.675781 MB of memory in use. ENERGY: 1219200 682.2514 1882.9340 2004.0444 111.7501 -0.1571 -1101.6977 0.0000 0.0000 2708.7209 6287.8460 299.1858 3579.1251 6321.1232 303.9795 PRESSURE: 1219400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1219400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1219400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1219400 0 0 0 0 0 0 0 0 0 TIMING: 1219400 CPU: 4869.97, 0.00394762/step Wall: 4869.97, 0.00394762/step, 1.40426 hours remaining, 113.675781 MB of memory in use. ENERGY: 1219400 655.3586 1791.1977 1992.2992 103.6312 -0.0312 -1047.3102 0.0000 0.0000 2782.9274 6278.0729 307.3821 3495.1455 6310.4635 303.9158 PRESSURE: 1219600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1219600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1219600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1219600 0 0 0 0 0 0 0 0 0 TIMING: 1219600 CPU: 4870.76, 0.00394887/step Wall: 4870.76, 0.00394887/step, 1.40448 hours remaining, 113.675781 MB of memory in use. ENERGY: 1219600 626.1820 1819.0258 2016.3587 104.4528 -0.2083 -1072.2449 0.0000 0.0000 2713.0897 6206.6557 299.6683 3493.5661 6242.4533 300.3135 PRESSURE: 1219800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1219800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1219800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1219800 0 0 0 0 0 0 0 0 0 TIMING: 1219800 CPU: 4871.55, 0.00395136/step Wall: 4871.55, 0.00395136/step, 1.40515 hours remaining, 113.675781 MB of memory in use. ENERGY: 1219800 622.4190 1872.7369 1989.0142 99.6278 0.4345 -1087.7797 0.0000 0.0000 2730.2858 6226.7384 301.5677 3496.4526 6261.6809 298.6542 PRESSURE: 1220000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1220000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1220000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1220000 0 0 0 0 0 0 0 0 0 TIMING: 1220000 CPU: 4872.34, 0.00395084/step Wall: 4872.34, 0.00395084/step, 1.40474 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1220000 662.4363 1816.5592 1996.4335 103.7621 1.2578 -1085.1344 0.0000 0.0000 2740.7730 6236.0875 302.7260 3495.3145 6271.3297 300.2903 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1220000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1220000 WRITING COORDINATES TO RESTART FILE AT STEP 1220000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1220000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1220200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1220200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1220200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1220200 0 0 0 0 0 0 0 0 0 TIMING: 1220200 CPU: 4875.82, 0.0173899/step Wall: 4875.82, 0.0173899/step, 6.1821 hours remaining, 113.675781 MB of memory in use. ENERGY: 1220200 626.8598 1856.0611 1967.6830 110.3154 0.5707 -1056.0152 0.0000 0.0000 2762.2355 6267.7103 305.0966 3505.4748 6300.5218 301.2532 LDB: ============= START OF LOAD BALANCING ============== 4878.78 LDB: ============== END OF LOAD BALANCING =============== 4878.78 LDB: =============== DONE WITH MIGRATION ================ 4878.78 LDB: ============= START OF LOAD BALANCING ============== 4879.17 LDB: ============== END OF LOAD BALANCING =============== 4879.18 LDB: =============== DONE WITH MIGRATION ================ 4879.18 PRESSURE: 1220400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1220400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1220400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1220400 0 0 0 0 0 0 0 0 0 TIMING: 1220400 CPU: 4876.61, 0.0039532/step Wall: 4876.61, 0.0039532/step, 1.40514 hours remaining, 113.675781 MB of memory in use. ENERGY: 1220400 665.1347 1853.0821 2004.5517 112.8706 -0.1204 -1081.2293 0.0000 0.0000 2738.5174 6292.8067 302.4769 3554.2893 6325.5693 303.2160 PRESSURE: 1220600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1220600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1220600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1220600 0 0 0 0 0 0 0 0 0 TIMING: 1220600 CPU: 4877.4, 0.0039497/step Wall: 4877.4, 0.0039497/step, 1.40368 hours remaining, 113.675781 MB of memory in use. ENERGY: 1220600 622.4603 1883.1894 1973.0253 103.5220 1.9802 -1055.3705 0.0000 0.0000 2718.2177 6247.0244 300.2347 3528.8067 6279.9295 302.9292 PRESSURE: 1220800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1220800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1220800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1220800 0 0 0 0 0 0 0 0 0 TIMING: 1220800 CPU: 4878.19, 0.00394525/step Wall: 4878.19, 0.00394525/step, 1.40188 hours remaining, 113.675781 MB of memory in use. ENERGY: 1220800 647.1188 1851.4954 1986.3558 111.3189 2.7213 -1095.7462 0.0000 0.0000 2686.9889 6190.2529 296.7854 3503.2640 6223.6747 300.4754 PRESSURE: 1221000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1221000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1221000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1221000 0 0 0 0 0 0 0 0 0 TIMING: 1221000 CPU: 4878.98, 0.0039492/step Wall: 4878.98, 0.0039492/step, 1.40306 hours remaining, 113.675781 MB of memory in use. ENERGY: 1221000 650.6741 1870.5770 1977.8816 100.6013 2.3414 -1069.6413 0.0000 0.0000 2620.7806 6153.2148 289.4725 3532.4342 6182.7911 297.3014 PRESSURE: 1221200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1221200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1221200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1221200 0 0 0 0 0 0 0 0 0 TIMING: 1221200 CPU: 4879.77, 0.00394982/step Wall: 4879.77, 0.00394982/step, 1.40306 hours remaining, 113.675781 MB of memory in use. ENERGY: 1221200 628.5750 1839.7873 1962.2759 101.5763 1.5342 -1045.9343 0.0000 0.0000 2620.8632 6108.6776 289.4816 3487.8145 6138.9762 293.7570 PRESSURE: 1221400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1221400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1221400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1221400 0 0 0 0 0 0 0 0 0 TIMING: 1221400 CPU: 4880.56, 0.00394899/step Wall: 4880.56, 0.00394899/step, 1.40255 hours remaining, 113.675781 MB of memory in use. ENERGY: 1221400 637.6728 1858.8040 1962.6290 113.2543 1.3501 -1105.1964 0.0000 0.0000 2700.8934 6169.4073 298.3212 3468.5138 6202.7942 293.8130 PRESSURE: 1221600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1221600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1221600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1221600 0 0 0 0 0 0 0 0 0 TIMING: 1221600 CPU: 4881.35, 0.00394976/step Wall: 4881.35, 0.00394975/step, 1.4026 hours remaining, 113.675781 MB of memory in use. ENERGY: 1221600 639.6491 1824.3831 1968.3479 106.8834 2.2387 -1082.3799 0.0000 0.0000 2683.4291 6142.5513 296.3922 3459.1222 6174.9492 296.5317 PRESSURE: 1221800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1221800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1221800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1221800 0 0 0 0 0 0 0 0 0 TIMING: 1221800 CPU: 4882.14, 0.00394534/step Wall: 4882.14, 0.00394535/step, 1.40082 hours remaining, 113.675781 MB of memory in use. ENERGY: 1221800 639.7855 1840.0429 1963.8644 92.3174 2.4713 -1082.3087 0.0000 0.0000 2707.5105 6163.6833 299.0521 3456.1729 6197.5912 296.0123 PRESSURE: 1222000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1222000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1222000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1222000 0 0 0 0 0 0 0 0 0 TIMING: 1222000 CPU: 4882.93, 0.00394951/step Wall: 4882.93, 0.00394951/step, 1.40207 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1222000 654.4057 1844.1143 1962.5193 110.1431 1.3316 -1079.1262 0.0000 0.0000 2663.8917 6157.2797 294.2343 3493.3879 6189.0195 297.5448 PRESSURE: 1222200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1222200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1222200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1222200 0 0 0 0 0 0 0 0 0 TIMING: 1222200 CPU: 4883.72, 0.00394922/step Wall: 4883.72, 0.00394922/step, 1.40176 hours remaining, 113.675781 MB of memory in use. ENERGY: 1222200 628.4238 1885.8209 1976.3303 103.9345 2.3583 -1106.9083 0.0000 0.0000 2616.9369 6106.8963 289.0480 3489.9594 6140.0020 293.5829 PRESSURE: 1222400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1222400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1222400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1222400 0 0 0 0 0 0 0 0 0 TIMING: 1222400 CPU: 4884.51, 0.00394903/step Wall: 4884.51, 0.00394903/step, 1.40147 hours remaining, 113.675781 MB of memory in use. ENERGY: 1222400 668.6771 1810.0174 1979.5288 105.7584 2.2577 -1082.9218 0.0000 0.0000 2657.8213 6141.1389 293.5638 3483.3176 6171.9687 292.9923 PRESSURE: 1222600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1222600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1222600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1222600 0 0 0 0 0 0 0 0 0 TIMING: 1222600 CPU: 4885.3, 0.00394992/step Wall: 4885.3, 0.00394992/step, 1.40156 hours remaining, 113.675781 MB of memory in use. ENERGY: 1222600 608.3776 1780.5264 2003.7963 115.7408 0.7109 -1065.1306 0.0000 0.0000 2672.6771 6116.6986 295.2046 3444.0215 6149.0537 294.9390 PRESSURE: 1222800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1222800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1222800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1222800 0 0 0 0 0 0 0 0 0 TIMING: 1222800 CPU: 4886.09, 0.00394437/step Wall: 4886.09, 0.00394437/step, 1.39938 hours remaining, 113.675781 MB of memory in use. ENERGY: 1222800 642.1288 1814.6174 1974.3384 127.6279 0.8765 -1120.8166 0.0000 0.0000 2698.7738 6137.5462 298.0871 3438.7725 6170.1974 294.7287 PRESSURE: 1223000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1223000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1223000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1223000 0 0 0 0 0 0 0 0 0 TIMING: 1223000 CPU: 4886.88, 0.00394737/step Wall: 4886.88, 0.00394737/step, 1.40022 hours remaining, 113.675781 MB of memory in use. ENERGY: 1223000 668.7960 1759.4027 1983.2417 117.1304 1.8325 -1056.4513 0.0000 0.0000 2733.2506 6207.2026 301.8951 3473.9520 6241.5327 296.6262 PRESSURE: 1223200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1223200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1223200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1223200 0 0 0 0 0 0 0 0 0 TIMING: 1223200 CPU: 4887.67, 0.00395011/step Wall: 4887.67, 0.00395011/step, 1.40097 hours remaining, 113.675781 MB of memory in use. ENERGY: 1223200 688.8514 1812.9849 1971.5248 107.1656 2.5740 -1111.9681 0.0000 0.0000 2684.5889 6155.7216 296.5203 3471.1327 6190.4087 296.3349 PRESSURE: 1223400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1223400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1223400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1223400 0 0 0 0 0 0 0 0 0 TIMING: 1223400 CPU: 4888.46, 0.00395026/step Wall: 4888.46, 0.00395026/step, 1.40081 hours remaining, 113.675781 MB of memory in use. ENERGY: 1223400 659.4840 1843.1348 1971.5206 107.8584 2.3917 -1104.6691 0.0000 0.0000 2701.3450 6181.0654 298.3711 3479.7204 6212.1924 297.1979 PRESSURE: 1223600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1223600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1223600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1223600 0 0 0 0 0 0 0 0 0 TIMING: 1223600 CPU: 4889.25, 0.0039461/step Wall: 4889.25, 0.0039461/step, 1.39911 hours remaining, 113.675781 MB of memory in use. ENERGY: 1223600 694.2052 1854.2617 1960.3516 106.8862 0.6533 -1092.7551 0.0000 0.0000 2652.8680 6176.4708 293.0167 3523.6028 6210.0160 297.4099 PRESSURE: 1223800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1223800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1223800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1223800 0 0 0 0 0 0 0 0 0 TIMING: 1223800 CPU: 4890.04, 0.00394913/step Wall: 4890.04, 0.00394913/step, 1.39997 hours remaining, 113.675781 MB of memory in use. ENERGY: 1223800 666.5449 1784.2923 1991.6551 107.4646 1.1016 -1053.9427 0.0000 0.0000 2694.8764 6191.9922 297.6566 3497.1157 6226.3798 297.3227 PRESSURE: 1224000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1224000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1224000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1224000 0 0 0 0 0 0 0 0 0 TIMING: 1224000 CPU: 4890.83, 0.00394933/step Wall: 4890.83, 0.00394933/step, 1.39982 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1224000 642.4116 1840.0918 2005.3701 108.2671 0.2941 -1110.2711 0.0000 0.0000 2726.2824 6212.4459 301.1255 3486.1635 6247.4091 298.7556 PRESSURE: 1224200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1224200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1224200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1224200 0 0 0 0 0 0 0 0 0 TIMING: 1224200 CPU: 4891.62, 0.00394974/step Wall: 4891.62, 0.00394974/step, 1.39974 hours remaining, 113.675781 MB of memory in use. ENERGY: 1224200 662.1918 1785.7548 2016.5367 120.6417 1.8743 -1086.8728 0.0000 0.0000 2656.2135 6156.3400 293.3862 3500.1265 6186.6382 296.6928 LDB: ============= START OF LOAD BALANCING ============== 4894.57 LDB: ============== END OF LOAD BALANCING =============== 4894.57 LDB: =============== DONE WITH MIGRATION ================ 4894.57 LDB: ============= START OF LOAD BALANCING ============== 4894.97 LDB: ============== END OF LOAD BALANCING =============== 4894.97 LDB: =============== DONE WITH MIGRATION ================ 4894.97 PRESSURE: 1224400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1224400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1224400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1224400 0 0 0 0 0 0 0 0 0 TIMING: 1224400 CPU: 4892.41, 0.00395421/step Wall: 4892.41, 0.00395421/step, 1.40111 hours remaining, 113.675781 MB of memory in use. ENERGY: 1224400 634.8840 1788.4585 1996.5377 108.6679 2.4384 -1050.6287 0.0000 0.0000 2663.2436 6143.6015 294.1627 3480.3578 6174.9896 296.7641 PRESSURE: 1224600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1224600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1224600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1224600 0 0 0 0 0 0 0 0 0 TIMING: 1224600 CPU: 4893.2, 0.00394625/step Wall: 4893.2, 0.00394625/step, 1.39807 hours remaining, 113.675781 MB of memory in use. ENERGY: 1224600 611.3955 1851.1268 1966.4308 103.0649 1.3305 -1063.9023 0.0000 0.0000 2671.9006 6141.3468 295.1189 3469.4462 6173.2953 296.5347 PRESSURE: 1224800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1224800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1224800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1224800 0 0 0 0 0 0 0 0 0 TIMING: 1224800 CPU: 4893.99, 0.00394915/step Wall: 4893.99, 0.00394915/step, 1.39888 hours remaining, 113.675781 MB of memory in use. ENERGY: 1224800 630.0962 1850.6464 1965.0526 106.7229 2.1166 -1060.5187 0.0000 0.0000 2684.4897 6178.6057 296.5094 3494.1160 6211.8315 295.7806 PRESSURE: 1225000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1225000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1225000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1225000 0 0 0 0 0 0 0 0 0 TIMING: 1225000 CPU: 4894.77, 0.00394889/step Wall: 4894.77, 0.00394889/step, 1.39857 hours remaining, 113.675781 MB of memory in use. ENERGY: 1225000 644.2218 1813.0238 1985.4054 109.6943 1.8812 -1091.6680 0.0000 0.0000 2721.2233 6183.7819 300.5667 3462.5585 6220.1608 297.4176 PRESSURE: 1225200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1225200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1225200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1225200 0 0 0 0 0 0 0 0 0 TIMING: 1225200 CPU: 4895.56, 0.00394949/step Wall: 4895.56, 0.00394949/step, 1.39856 hours remaining, 113.675781 MB of memory in use. ENERGY: 1225200 655.2345 1763.9966 1969.2567 104.3817 1.3103 -1041.1206 0.0000 0.0000 2719.9135 6172.9728 300.4220 3453.0592 6206.5272 297.5653 PRESSURE: 1225400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1225400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1225400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1225400 0 0 0 0 0 0 0 0 0 TIMING: 1225400 CPU: 4896.35, 0.00394938/step Wall: 4896.35, 0.00394938/step, 1.3983 hours remaining, 113.675781 MB of memory in use. ENERGY: 1225400 684.4234 1794.9593 1969.0498 104.2322 1.9077 -1063.4028 0.0000 0.0000 2715.4400 6206.6095 299.9279 3491.1696 6238.2651 299.2171 PRESSURE: 1225600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1225600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1225600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1225600 0 0 0 0 0 0 0 0 0 TIMING: 1225600 CPU: 4897.14, 0.00394681/step Wall: 4897.14, 0.00394681/step, 1.39717 hours remaining, 113.675781 MB of memory in use. ENERGY: 1225600 669.1705 1837.6220 1982.2983 96.4300 1.3138 -1100.0187 0.0000 0.0000 2713.2210 6200.0369 299.6828 3486.8159 6231.2638 301.0079 PRESSURE: 1225800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1225800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1225800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1225800 0 0 0 0 0 0 0 0 0 TIMING: 1225800 CPU: 4897.93, 0.00394898/step Wall: 4897.93, 0.00394898/step, 1.39772 hours remaining, 113.675781 MB of memory in use. ENERGY: 1225800 631.2471 1818.7673 1983.8689 111.7782 2.2988 -1049.0543 0.0000 0.0000 2732.7527 6231.6588 301.8401 3498.9061 6266.6491 299.6440 PRESSURE: 1226000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1226000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1226000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1226000 0 0 0 0 0 0 0 0 0 TIMING: 1226000 CPU: 4898.72, 0.00395539/step Wall: 4898.72, 0.00395539/step, 1.39977 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1226000 655.4865 1865.8390 1998.7539 109.8091 0.8515 -1078.9111 0.0000 0.0000 2701.3786 6253.2074 298.3748 3551.8288 6285.1884 301.7301 PRESSURE: 1226200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1226200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1226200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1226200 0 0 0 0 0 0 0 0 0 TIMING: 1226200 CPU: 4899.51, 0.00394962/step Wall: 4899.51, 0.00394962/step, 1.39751 hours remaining, 113.675781 MB of memory in use. ENERGY: 1226200 673.5820 1831.5388 1991.6086 100.6604 0.6310 -1069.5965 0.0000 0.0000 2702.5418 6230.9661 298.5033 3528.4243 6265.4590 299.3703 PRESSURE: 1226400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1226400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1226400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1226400 0 0 0 0 0 0 0 0 0 TIMING: 1226400 CPU: 4900.3, 0.00394841/step Wall: 4900.3, 0.00394841/step, 1.39686 hours remaining, 113.675781 MB of memory in use. ENERGY: 1226400 677.8730 1826.8564 1964.1650 107.0789 1.4155 -1069.1613 0.0000 0.0000 2713.2952 6221.5227 299.6910 3508.2275 6255.9154 298.9039 PRESSURE: 1226600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1226600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1226600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1226600 0 0 0 0 0 0 0 0 0 TIMING: 1226600 CPU: 4902.82, 0.0125748/step Wall: 4902.82, 0.0125748/step, 4.44797 hours remaining, 113.675781 MB of memory in use. ENERGY: 1226600 681.0271 1830.8766 1983.7508 102.0687 0.3076 -1080.3367 0.0000 0.0000 2738.7720 6256.4661 302.5050 3517.6941 6288.8024 298.5809 PRESSURE: 1226800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1226800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1226800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1226800 0 0 0 0 0 0 0 0 0 TIMING: 1226800 CPU: 4903.62, 0.00400441/step Wall: 4903.62, 0.00400441/step, 1.41623 hours remaining, 113.675781 MB of memory in use. ENERGY: 1226800 678.1576 1909.4459 1997.8756 109.8216 1.0766 -1099.9350 0.0000 0.0000 2712.5371 6308.9794 299.6073 3596.4423 6342.8123 304.8033 PRESSURE: 1227000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1227000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1227000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1227000 0 0 0 0 0 0 0 0 0 TIMING: 1227000 CPU: 4904.41, 0.00395408/step Wall: 4904.41, 0.00395408/step, 1.39821 hours remaining, 113.675781 MB of memory in use. ENERGY: 1227000 656.7369 1844.6330 1995.4795 113.0732 2.3252 -1056.8317 0.0000 0.0000 2729.5088 6284.9250 301.4819 3555.4161 6319.8364 304.2839 PRESSURE: 1227200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1227200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1227200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1227200 0 0 0 0 0 0 0 0 0 TIMING: 1227200 CPU: 4905.2, 0.00394924/step Wall: 4905.2, 0.00394924/step, 1.39628 hours remaining, 113.675781 MB of memory in use. ENERGY: 1227200 678.2027 1849.5926 1982.9459 116.6482 0.6513 -1107.1624 0.0000 0.0000 2794.5364 6315.4147 308.6643 3520.8783 6350.5145 304.1517 PRESSURE: 1227400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1227400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1227400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1227400 0 0 0 0 0 0 0 0 0 TIMING: 1227400 CPU: 4905.99, 0.00394974/step Wall: 4905.99, 0.00394974/step, 1.39623 hours remaining, 113.675781 MB of memory in use. ENERGY: 1227400 654.6963 1874.5203 1976.2500 105.1370 2.2214 -1038.9830 0.0000 0.0000 2711.9441 6285.7862 299.5418 3573.8421 6318.8279 304.4679 PRESSURE: 1227600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1227600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1227600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1227600 0 0 0 0 0 0 0 0 0 TIMING: 1227600 CPU: 4906.78, 0.00395103/step Wall: 4906.78, 0.00395103/step, 1.39647 hours remaining, 113.675781 MB of memory in use. ENERGY: 1227600 682.8630 1871.4656 1974.4846 101.1720 3.0576 -1083.0582 0.0000 0.0000 2710.9032 6260.8878 299.4268 3549.9846 6295.4303 301.9465 PRESSURE: 1227800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1227800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1227800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1227800 0 0 0 0 0 0 0 0 0 TIMING: 1227800 CPU: 4907.57, 0.00395089/step Wall: 4907.57, 0.00395089/step, 1.3962 hours remaining, 113.675781 MB of memory in use. ENERGY: 1227800 697.0197 1843.8138 1972.0309 96.2493 2.0278 -1051.9526 0.0000 0.0000 2701.7250 6260.9138 298.4131 3559.1888 6293.1594 301.6737 PRESSURE: 1228000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1228000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1228000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1228000 0 0 0 0 0 0 0 0 0 TIMING: 1228000 CPU: 4908.36, 0.00395055/step Wall: 4908.36, 0.00395055/step, 1.39586 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1228000 634.4148 1902.4666 1967.7325 114.9663 1.6265 -1089.2758 0.0000 0.0000 2709.9911 6241.9220 299.3261 3531.9309 6275.5303 302.6068 PRESSURE: 1228200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1228200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1228200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1228200 0 0 0 0 0 0 0 0 0 TIMING: 1228200 CPU: 4909.15, 0.00394832/step Wall: 4909.15, 0.00394832/step, 1.39486 hours remaining, 113.675781 MB of memory in use. ENERGY: 1228200 662.5753 1903.5022 1960.0222 107.7467 1.1880 -1060.9490 0.0000 0.0000 2731.5425 6305.6278 301.7065 3574.0853 6337.6941 300.6308 LDB: ============= START OF LOAD BALANCING ============== 4912.11 LDB: ============== END OF LOAD BALANCING =============== 4912.11 LDB: =============== DONE WITH MIGRATION ================ 4912.11 LDB: ============= START OF LOAD BALANCING ============== 4912.51 LDB: ============== END OF LOAD BALANCING =============== 4912.51 LDB: =============== DONE WITH MIGRATION ================ 4912.51 PRESSURE: 1228400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1228400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1228400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1228400 0 0 0 0 0 0 0 0 0 TIMING: 1228400 CPU: 4909.94, 0.00395527/step Wall: 4909.94, 0.00395527/step, 1.39709 hours remaining, 113.675781 MB of memory in use. ENERGY: 1228400 648.8040 1906.5211 1980.1540 104.2559 0.9463 -1090.7555 0.0000 0.0000 2684.8132 6234.7389 296.5451 3549.9258 6268.4110 301.3274 PRESSURE: 1228600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1228600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1228600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1228600 0 0 0 0 0 0 0 0 0 TIMING: 1228600 CPU: 4910.73, 0.003951/step Wall: 4910.73, 0.003951/step, 1.39536 hours remaining, 113.675781 MB of memory in use. ENERGY: 1228600 650.7079 1865.0837 1957.4470 106.2467 2.1278 -1075.5096 0.0000 0.0000 2752.3942 6258.4978 304.0096 3506.1036 6294.9540 301.0846 PRESSURE: 1228800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1228800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1228800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1228800 0 0 0 0 0 0 0 0 0 TIMING: 1228800 CPU: 4911.52, 0.00395201/step Wall: 4911.52, 0.00395201/step, 1.3955 hours remaining, 113.675781 MB of memory in use. ENERGY: 1228800 673.1387 1880.4035 1970.3922 108.0064 1.5798 -1068.9079 0.0000 0.0000 2753.2794 6317.8920 304.1074 3564.6126 6352.7022 302.5844 PRESSURE: 1229000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1229000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1229000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1229000 0 0 0 0 0 0 0 0 0 TIMING: 1229000 CPU: 4912.31, 0.00394751/step Wall: 4912.31, 0.00394751/step, 1.39369 hours remaining, 113.675781 MB of memory in use. ENERGY: 1229000 662.2999 1860.4252 1972.9456 104.9741 0.5810 -1077.5328 0.0000 0.0000 2751.6231 6275.3161 303.9244 3523.6931 6308.5369 302.3044 PRESSURE: 1229200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1229200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1229200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1229200 0 0 0 0 0 0 0 0 0 TIMING: 1229200 CPU: 4913.1, 0.00395143/step Wall: 4913.1, 0.00395143/step, 1.39485 hours remaining, 113.675781 MB of memory in use. ENERGY: 1229200 648.7956 1873.1097 1962.6067 110.0071 -0.1583 -1070.0945 0.0000 0.0000 2762.6048 6286.8711 305.1374 3524.2663 6323.3187 301.3248 PRESSURE: 1229400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1229400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1229400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1229400 0 0 0 0 0 0 0 0 0 TIMING: 1229400 CPU: 4913.89, 0.0039505/step Wall: 4913.89, 0.0039505/step, 1.39431 hours remaining, 113.675781 MB of memory in use. ENERGY: 1229400 688.9343 1874.1902 1977.0507 128.6449 0.9495 -1062.0120 0.0000 0.0000 2676.3031 6284.0607 295.6051 3607.7576 6314.9206 302.3491 PRESSURE: 1229600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1229600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1229600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1229600 0 0 0 0 0 0 0 0 0 TIMING: 1229600 CPU: 4914.68, 0.00395058/step Wall: 4914.68, 0.00395058/step, 1.39411 hours remaining, 113.675781 MB of memory in use. ENERGY: 1229600 660.1367 1806.1565 1981.2686 110.2423 0.1085 -1048.0672 0.0000 0.0000 2734.1143 6243.9598 301.9905 3509.8455 6276.1286 301.9767 PRESSURE: 1229800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1229800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1229800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1229800 0 0 0 0 0 0 0 0 0 TIMING: 1229800 CPU: 4915.47, 0.00395258/step Wall: 4915.47, 0.00395258/step, 1.3946 hours remaining, 113.675781 MB of memory in use. ENERGY: 1229800 693.6413 1845.4377 1977.7148 99.6929 1.0891 -1089.9415 0.0000 0.0000 2695.7894 6223.4238 297.7574 3527.6344 6258.1191 299.5828 PRESSURE: 1230000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1230000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1230000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1230000 0 0 0 0 0 0 0 0 0 TIMING: 1230000 CPU: 4916.26, 0.00394964/step Wall: 4916.26, 0.00394964/step, 1.39334 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1230000 681.5921 1807.4381 1982.2712 108.6681 1.6758 -1084.6128 0.0000 0.0000 2699.9661 6196.9987 298.2188 3497.0326 6229.6167 297.8485 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1230000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1230000 WRITING COORDINATES TO RESTART FILE AT STEP 1230000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1230000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1230200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1230200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1230200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1230200 0 0 0 0 0 0 0 0 0 TIMING: 1230200 CPU: 4917.1, 0.00419695/step Wall: 4917.1, 0.00419695/step, 1.48036 hours remaining, 113.675781 MB of memory in use. ENERGY: 1230200 639.3779 1794.7856 1988.2958 98.9070 2.3571 -1056.5597 0.0000 0.0000 2742.6425 6209.8063 302.9325 3467.1638 6243.4193 297.8743 PRESSURE: 1230400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1230400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1230400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1230400 0 0 0 0 0 0 0 0 0 TIMING: 1230400 CPU: 4917.89, 0.003951/step Wall: 4917.89, 0.003951/step, 1.39339 hours remaining, 113.675781 MB of memory in use. ENERGY: 1230400 649.2402 1862.2819 2013.0022 109.4789 1.2661 -1091.5988 0.0000 0.0000 2706.4226 6250.0931 298.9319 3543.6705 6280.0541 301.4236 PRESSURE: 1230600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1230600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1230600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1230600 0 0 0 0 0 0 0 0 0 TIMING: 1230600 CPU: 4918.68, 0.00395138/step Wall: 4918.68, 0.00395138/step, 1.3933 hours remaining, 113.675781 MB of memory in use. ENERGY: 1230600 666.7300 1865.0503 1983.0407 100.1010 1.8886 -1079.8097 0.0000 0.0000 2751.3185 6288.3195 303.8908 3537.0010 6323.8738 302.3447 PRESSURE: 1230800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1230800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1230800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1230800 0 0 0 0 0 0 0 0 0 TIMING: 1230800 CPU: 4919.47, 0.00395246/step Wall: 4919.47, 0.00395246/step, 1.39346 hours remaining, 113.675781 MB of memory in use. ENERGY: 1230800 671.5885 1873.2429 1952.4442 105.1210 0.3425 -1069.0674 0.0000 0.0000 2769.0552 6302.7270 305.8499 3533.6717 6335.7547 303.4318 PRESSURE: 1231000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1231000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1231000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1231000 0 0 0 0 0 0 0 0 0 TIMING: 1231000 CPU: 4920.26, 0.00394781/step Wall: 4920.26, 0.00394781/step, 1.3916 hours remaining, 113.675781 MB of memory in use. ENERGY: 1231000 653.4808 1862.0518 1988.2201 112.1500 3.1872 -1058.5431 0.0000 0.0000 2757.2377 6317.7845 304.5446 3560.5469 6350.0044 302.0111 PRESSURE: 1231200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1231200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1231200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1231200 0 0 0 0 0 0 0 0 0 TIMING: 1231200 CPU: 4921.05, 0.00395265/step Wall: 4921.05, 0.00395265/step, 1.39309 hours remaining, 113.675781 MB of memory in use. ENERGY: 1231200 671.4733 1882.5629 1966.2395 119.7674 1.7717 -1068.6097 0.0000 0.0000 2736.3482 6309.5532 302.2373 3573.2051 6345.1312 303.4142 PRESSURE: 1231400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1231400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1231400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1231400 0 0 0 0 0 0 0 0 0 TIMING: 1231400 CPU: 4921.84, 0.0039509/step Wall: 4921.84, 0.0039509/step, 1.39225 hours remaining, 113.675781 MB of memory in use. ENERGY: 1231400 670.2521 1824.8620 2008.0743 108.7016 1.3838 -1077.3035 0.0000 0.0000 2741.7190 6277.6894 302.8305 3535.9704 6309.7905 302.1284 PRESSURE: 1231600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1231600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1231600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1231600 0 0 0 0 0 0 0 0 0 TIMING: 1231600 CPU: 4922.63, 0.00395123/step Wall: 4922.63, 0.00395123/step, 1.39215 hours remaining, 113.675781 MB of memory in use. ENERGY: 1231600 659.5112 1892.9980 1991.3827 103.9485 1.1158 -1109.5985 0.0000 0.0000 2729.7821 6269.1398 301.5120 3539.3577 6301.5247 301.1382 PRESSURE: 1231800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1231800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1231800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1231800 0 0 0 0 0 0 0 0 0 TIMING: 1231800 CPU: 4923.42, 0.00395078/step Wall: 4923.42, 0.00395078/step, 1.39177 hours remaining, 113.675781 MB of memory in use. ENERGY: 1231800 665.3221 1908.0274 1990.1202 108.4214 2.3606 -1067.3658 0.0000 0.0000 2654.8494 6261.7353 293.2355 3606.8859 6289.4423 301.9941 PRESSURE: 1232000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1232000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1232000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1232000 0 0 0 0 0 0 0 0 0 TIMING: 1232000 CPU: 4924.21, 0.0039466/step Wall: 4924.21, 0.0039466/step, 1.39008 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1232000 626.6361 1890.8276 1997.4005 120.5015 2.4755 -1089.5115 0.0000 0.0000 2710.6709 6259.0006 299.4012 3548.3296 6294.0285 299.9480 PRESSURE: 1232200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1232200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1232200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1232200 0 0 0 0 0 0 0 0 0 TIMING: 1232200 CPU: 4925, 0.00394984/step Wall: 4925, 0.00394984/step, 1.391 hours remaining, 113.675781 MB of memory in use. ENERGY: 1232200 676.4987 1868.3372 1991.1482 102.4502 2.3319 -1032.7545 0.0000 0.0000 2687.9983 6296.0098 296.8969 3608.0116 6325.0198 301.7094 LDB: ============= START OF LOAD BALANCING ============== 4927.96 LDB: ============== END OF LOAD BALANCING =============== 4927.96 LDB: =============== DONE WITH MIGRATION ================ 4927.96 LDB: ============= START OF LOAD BALANCING ============== 4928.36 LDB: ============== END OF LOAD BALANCING =============== 4928.36 LDB: =============== DONE WITH MIGRATION ================ 4928.36 PRESSURE: 1232400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1232400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1232400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1232400 0 0 0 0 0 0 0 0 0 TIMING: 1232400 CPU: 4925.79, 0.00395506/step Wall: 4925.79, 0.00395506/step, 1.39262 hours remaining, 113.675781 MB of memory in use. ENERGY: 1232400 651.7001 1839.5604 2005.9027 101.6959 2.2249 -1025.8268 0.0000 0.0000 2727.2888 6302.5460 301.2366 3575.2573 6335.2738 302.7535 PRESSURE: 1232600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1232600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1232600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1232600 0 0 0 0 0 0 0 0 0 TIMING: 1232600 CPU: 4926.58, 0.00395132/step Wall: 4926.58, 0.00395131/step, 1.39108 hours remaining, 113.675781 MB of memory in use. ENERGY: 1232600 668.5720 1858.3476 1993.3127 108.0506 3.0197 -1067.8627 0.0000 0.0000 2719.6427 6283.0828 300.3921 3563.4401 6318.3421 301.4899 PRESSURE: 1232800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1232800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1232800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1232800 0 0 0 0 0 0 0 0 0 TIMING: 1232800 CPU: 4927.38, 0.00395286/step Wall: 4927.38, 0.00395287/step, 1.39141 hours remaining, 113.675781 MB of memory in use. ENERGY: 1232800 674.4231 1841.0738 1969.2862 101.4297 1.3555 -1060.4065 0.0000 0.0000 2746.4481 6273.6098 303.3528 3527.1617 6307.7576 302.9783 PRESSURE: 1233000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1233000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1233000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1233000 0 0 0 0 0 0 0 0 0 TIMING: 1233000 CPU: 4928.17, 0.00394808/step Wall: 4928.17, 0.00394808/step, 1.38951 hours remaining, 113.675781 MB of memory in use. ENERGY: 1233000 652.0301 1889.4926 1965.9003 108.9230 1.3789 -1062.5561 0.0000 0.0000 2729.3909 6284.5596 301.4688 3555.1687 6318.6986 300.9698 PRESSURE: 1233200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1233200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1233200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1233200 0 0 0 0 0 0 0 0 0 TIMING: 1233200 CPU: 4928.95, 0.00394979/step Wall: 4928.95, 0.00394979/step, 1.38989 hours remaining, 113.675781 MB of memory in use. ENERGY: 1233200 657.4071 1898.2528 1981.2641 98.7362 1.1443 -1062.7930 0.0000 0.0000 2741.0655 6315.0769 302.7583 3574.0115 6346.2120 304.0133 PRESSURE: 1233400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1233400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1233400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1233400 0 0 0 0 0 0 0 0 0 TIMING: 1233400 CPU: 4929.75, 0.00395391/step Wall: 4929.75, 0.00395391/step, 1.39112 hours remaining, 113.675781 MB of memory in use. ENERGY: 1233400 669.1401 1852.9264 1995.4091 114.9235 0.6816 -1063.9333 0.0000 0.0000 2727.2791 6296.4265 301.2356 3569.1474 6328.2995 301.5122 PRESSURE: 1233600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1233600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1233600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1233600 0 0 0 0 0 0 0 0 0 TIMING: 1233600 CPU: 4930.54, 0.00395172/step Wall: 4930.54, 0.00395172/step, 1.39013 hours remaining, 113.675781 MB of memory in use. ENERGY: 1233600 632.2242 1859.2949 2007.3041 102.9952 1.2370 -1034.7154 0.0000 0.0000 2704.3526 6272.6926 298.7033 3568.3400 6307.1506 301.3536 PRESSURE: 1233800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1233800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1233800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1233800 0 0 0 0 0 0 0 0 0 TIMING: 1233800 CPU: 4931.33, 0.00394956/step Wall: 4931.33, 0.00394956/step, 1.38915 hours remaining, 113.675781 MB of memory in use. ENERGY: 1233800 664.0911 1853.6395 1990.9428 102.4832 0.9699 -1031.1922 0.0000 0.0000 2671.1928 6252.1271 295.0407 3580.9343 6284.2127 299.6134 PRESSURE: 1234000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1234000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1234000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1234000 0 0 0 0 0 0 0 0 0 TIMING: 1234000 CPU: 4932.12, 0.00395198/step Wall: 4932.12, 0.00395198/step, 1.38978 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1234000 637.4675 1907.4453 1968.0635 101.3615 1.3999 -1080.2730 0.0000 0.0000 2694.7298 6230.1945 297.6404 3535.4647 6266.1699 299.5214 PRESSURE: 1234200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1234200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1234200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1234200 0 0 0 0 0 0 0 0 0 TIMING: 1234200 CPU: 4932.91, 0.00395344/step Wall: 4932.91, 0.00395344/step, 1.39008 hours remaining, 113.675781 MB of memory in use. ENERGY: 1234200 638.7175 1816.2835 1978.0259 101.3263 3.0360 -1067.2299 0.0000 0.0000 2733.7215 6203.8808 301.9471 3470.1593 6237.4352 298.8807 PRESSURE: 1234400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1234400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1234400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1234400 0 0 0 0 0 0 0 0 0 TIMING: 1234400 CPU: 4933.7, 0.00395418/step Wall: 4933.7, 0.00395418/step, 1.39011 hours remaining, 113.675781 MB of memory in use. ENERGY: 1234400 643.4551 1805.6477 1976.9463 107.1594 1.1155 -1029.0114 0.0000 0.0000 2743.8408 6249.1535 303.0649 3505.3127 6283.8580 298.1489 PRESSURE: 1234600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1234600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1234600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1234600 0 0 0 0 0 0 0 0 0 TIMING: 1234600 CPU: 4934.49, 0.0039518/step Wall: 4934.49, 0.0039518/step, 1.38906 hours remaining, 113.675781 MB of memory in use. ENERGY: 1234600 682.5344 1816.7903 1966.1075 106.9989 0.9672 -1062.8695 0.0000 0.0000 2711.3960 6221.9249 299.4812 3510.5289 6255.5439 300.1110 PRESSURE: 1234800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1234800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1234800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1234800 0 0 0 0 0 0 0 0 0 TIMING: 1234800 CPU: 4935.28, 0.00394903/step Wall: 4935.28, 0.00394903/step, 1.38786 hours remaining, 113.675781 MB of memory in use. ENERGY: 1234800 661.3749 1822.4840 1979.3464 104.5138 2.6079 -1070.7093 0.0000 0.0000 2708.9547 6208.5724 299.2116 3499.6177 6242.8536 299.5362 PRESSURE: 1235000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1235000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1235000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1235000 0 0 0 0 0 0 0 0 0 TIMING: 1235000 CPU: 4936.07, 0.00395188/step Wall: 4936.07, 0.00395188/step, 1.38865 hours remaining, 113.675781 MB of memory in use. ENERGY: 1235000 657.3645 1888.5065 1950.9223 105.6791 2.4424 -1090.9614 0.0000 0.0000 2664.5100 6178.4635 294.3026 3513.9535 6209.5990 298.4291 PRESSURE: 1235200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1235200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1235200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1235200 0 0 0 0 0 0 0 0 0 TIMING: 1235200 CPU: 4936.86, 0.00395104/step Wall: 4936.86, 0.00395104/step, 1.38813 hours remaining, 113.675781 MB of memory in use. ENERGY: 1235200 644.1057 1838.8137 1960.7107 109.7630 1.6212 -1070.5042 0.0000 0.0000 2692.1039 6176.6142 297.3504 3484.5103 6206.8302 296.6978 PRESSURE: 1235400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1235400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1235400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1235400 0 0 0 0 0 0 0 0 0 TIMING: 1235400 CPU: 4937.65, 0.00395214/step Wall: 4937.65, 0.00395214/step, 1.3883 hours remaining, 113.675781 MB of memory in use. ENERGY: 1235400 648.0486 1877.3302 1972.1050 100.7205 1.6980 -1065.5744 0.0000 0.0000 2656.1656 6190.4935 293.3809 3534.3279 6220.2710 298.0890 PRESSURE: 1235600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1235600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1235600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1235600 0 0 0 0 0 0 0 0 0 TIMING: 1235600 CPU: 4938.44, 0.00396643/step Wall: 4938.44, 0.00396643/step, 1.3931 hours remaining, 113.675781 MB of memory in use. ENERGY: 1235600 624.2448 1831.6293 2010.6095 108.7554 0.4730 -1071.9522 0.0000 0.0000 2733.3773 6237.1371 301.9091 3503.7598 6271.8877 297.4168 PRESSURE: 1235800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1235800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1235800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1235800 0 0 0 0 0 0 0 0 0 TIMING: 1235800 CPU: 4939.23, 0.00394797/step Wall: 4939.23, 0.00394797/step, 1.3864 hours remaining, 113.675781 MB of memory in use. ENERGY: 1235800 663.7181 1855.8546 1979.7467 112.9740 0.9326 -1038.3512 0.0000 0.0000 2671.7751 6246.6499 295.1050 3574.8748 6280.6509 299.5996 PRESSURE: 1236000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1236000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1236000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1236000 0 0 0 0 0 0 0 0 0 TIMING: 1236000 CPU: 4940.02, 0.00395256/step Wall: 4940.02, 0.00395256/step, 1.38779 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1236000 632.9148 1861.1593 1976.6203 103.4071 0.8814 -1035.6307 0.0000 0.0000 2707.3602 6246.7123 299.0355 3539.3522 6278.6382 301.6707 PRESSURE: 1236200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1236200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1236200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1236200 0 0 0 0 0 0 0 0 0 TIMING: 1236200 CPU: 4940.81, 0.00395262/step Wall: 4940.81, 0.00395262/step, 1.38759 hours remaining, 113.675781 MB of memory in use. ENERGY: 1236200 646.0205 1840.1942 1960.9443 117.9449 1.8906 -1072.4583 0.0000 0.0000 2794.8801 6289.4164 308.7023 3494.5363 6324.6144 302.3958 LDB: ============= START OF LOAD BALANCING ============== 4943.77 LDB: ============== END OF LOAD BALANCING =============== 4943.77 LDB: =============== DONE WITH MIGRATION ================ 4943.77 LDB: ============= START OF LOAD BALANCING ============== 4944.17 LDB: ============== END OF LOAD BALANCING =============== 4944.17 LDB: =============== DONE WITH MIGRATION ================ 4944.17 PRESSURE: 1236400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1236400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1236400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1236400 0 0 0 0 0 0 0 0 0 TIMING: 1236400 CPU: 4941.6, 0.00395769/step Wall: 4941.6, 0.00395769/step, 1.38915 hours remaining, 113.675781 MB of memory in use. ENERGY: 1236400 639.7044 1852.1184 1950.5673 115.8346 2.8176 -1068.7294 0.0000 0.0000 2793.8546 6286.1675 308.5890 3492.3129 6316.0841 303.2293 PRESSURE: 1236600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1236600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1236600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1236600 0 0 0 0 0 0 0 0 0 TIMING: 1236600 CPU: 4942.39, 0.00395185/step Wall: 4942.39, 0.00395185/step, 1.38688 hours remaining, 113.675781 MB of memory in use. ENERGY: 1236600 687.6067 1857.5792 1994.8456 121.3673 3.3437 -1098.3488 0.0000 0.0000 2718.2658 6284.6594 300.2400 3566.3936 6319.8721 304.9300 PRESSURE: 1236800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1236800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1236800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1236800 0 0 0 0 0 0 0 0 0 TIMING: 1236800 CPU: 4943.18, 0.00394728/step Wall: 4943.18, 0.00394728/step, 1.38506 hours remaining, 113.675781 MB of memory in use. ENERGY: 1236800 677.2225 1852.0106 1982.1643 116.6890 0.9420 -1077.7984 0.0000 0.0000 2674.2368 6225.4668 295.3769 3551.2301 6260.6998 300.0239 PRESSURE: 1237000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1237000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1237000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1237000 0 0 0 0 0 0 0 0 0 TIMING: 1237000 CPU: 4943.97, 0.00395108/step Wall: 4943.97, 0.00395108/step, 1.38617 hours remaining, 113.675781 MB of memory in use. ENERGY: 1237000 624.3652 1811.6576 2006.4207 116.4877 2.1315 -1049.3318 0.0000 0.0000 2763.5403 6275.2712 305.2407 3511.7309 6308.6898 300.4714 PRESSURE: 1237200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1237200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1237200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1237200 0 0 0 0 0 0 0 0 0 TIMING: 1237200 CPU: 4944.76, 0.00395156/step Wall: 4944.76, 0.00395156/step, 1.38612 hours remaining, 113.675781 MB of memory in use. ENERGY: 1237200 646.9878 1849.0464 2001.4568 100.4121 1.3726 -1079.7673 0.0000 0.0000 2791.4305 6310.9391 308.3213 3519.5085 6344.7708 304.3453 PRESSURE: 1237400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1237400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1237400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1237400 0 0 0 0 0 0 0 0 0 TIMING: 1237400 CPU: 4945.56, 0.0039538/step Wall: 4945.56, 0.0039538/step, 1.38668 hours remaining, 113.675781 MB of memory in use. ENERGY: 1237400 681.9007 1847.1327 1970.3408 114.1633 2.4726 -1100.6456 0.0000 0.0000 2757.3299 6272.6944 304.5548 3515.3645 6308.7648 304.2597 PRESSURE: 1237600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1237600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1237600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1237600 0 0 0 0 0 0 0 0 0 TIMING: 1237600 CPU: 4946.35, 0.00394674/step Wall: 4946.35, 0.00394673/step, 1.38399 hours remaining, 113.675781 MB of memory in use. ENERGY: 1237600 691.0245 1801.5598 1980.9350 116.7145 3.2084 -1062.3337 0.0000 0.0000 2687.9889 6219.0973 296.8959 3531.1084 6252.6494 300.6204 PRESSURE: 1237800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1237800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1237800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1237800 0 0 0 0 0 0 0 0 0 TIMING: 1237800 CPU: 4947.14, 0.00395209/step Wall: 4947.14, 0.0039521/step, 1.38565 hours remaining, 113.675781 MB of memory in use. ENERGY: 1237800 659.2339 1830.2701 1955.3074 115.5073 3.1373 -1037.3303 0.0000 0.0000 2660.2812 6186.4069 293.8355 3526.1258 6220.3475 297.5718 PRESSURE: 1238000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1238000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1238000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1238000 0 0 0 0 0 0 0 0 0 TIMING: 1238000 CPU: 4947.93, 0.00395047/step Wall: 4947.93, 0.00395047/step, 1.38486 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1238000 642.4283 1816.6077 1951.7560 116.1948 3.7370 -1074.1478 0.0000 0.0000 2732.7641 6189.3402 301.8414 3456.5760 6222.1170 296.4772 PRESSURE: 1238200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1238200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1238200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1238200 0 0 0 0 0 0 0 0 0 TIMING: 1238200 CPU: 4948.72, 0.00395185/step Wall: 4948.72, 0.00395185/step, 1.38512 hours remaining, 113.675781 MB of memory in use. ENERGY: 1238200 608.3155 1866.5292 1973.5644 108.5308 2.5855 -1062.5403 0.0000 0.0000 2696.3063 6193.2916 297.8145 3496.9853 6223.5815 297.3298 PRESSURE: 1238400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1238400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1238400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1238400 0 0 0 0 0 0 0 0 0 TIMING: 1238400 CPU: 4949.51, 0.00395287/step Wall: 4949.51, 0.00395287/step, 1.38526 hours remaining, 113.675781 MB of memory in use. ENERGY: 1238400 660.0163 1831.7565 1927.0090 115.8498 2.6285 -1053.6834 0.0000 0.0000 2691.7953 6175.3721 297.3163 3483.5767 6204.2795 296.9783 PRESSURE: 1238600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1238600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1238600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1238600 0 0 0 0 0 0 0 0 0 TIMING: 1238600 CPU: 4950.3, 0.00394768/step Wall: 4950.3, 0.00394768/step, 1.38322 hours remaining, 113.675781 MB of memory in use. ENERGY: 1238600 674.8335 1819.8487 1960.7594 106.3865 0.7917 -1091.5319 0.0000 0.0000 2717.1482 6188.2360 300.1166 3471.0878 6222.5987 296.2144 PRESSURE: 1238800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1238800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1238800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1238800 0 0 0 0 0 0 0 0 0 TIMING: 1238800 CPU: 4951.09, 0.00395326/step Wall: 4951.09, 0.00395326/step, 1.38496 hours remaining, 113.675781 MB of memory in use. ENERGY: 1238800 642.2487 1778.7049 1971.9088 107.8044 2.3945 -1071.5359 0.0000 0.0000 2752.1677 6183.6930 303.9846 3431.5253 6218.5147 297.9667 PRESSURE: 1239000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1239000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1239000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1239000 0 0 0 0 0 0 0 0 0 TIMING: 1239000 CPU: 4951.88, 0.00395198/step Wall: 4951.88, 0.00395198/step, 1.38429 hours remaining, 113.675781 MB of memory in use. ENERGY: 1239000 633.1284 1810.5309 1968.3562 104.7625 2.5258 -1071.5541 0.0000 0.0000 2677.6095 6125.3591 295.7494 3447.7496 6158.4139 295.6775 PRESSURE: 1239200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1239200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1239200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1239200 0 0 0 0 0 0 0 0 0 TIMING: 1239200 CPU: 4952.67, 0.00395051/step Wall: 4952.67, 0.00395051/step, 1.38356 hours remaining, 113.675781 MB of memory in use. ENERGY: 1239200 633.8162 1786.5919 1986.7513 90.4796 2.9846 -1078.6871 0.0000 0.0000 2710.3387 6132.2752 299.3645 3421.9365 6166.3499 294.5624 PRESSURE: 1239400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1239400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1239400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1239400 0 0 0 0 0 0 0 0 0 TIMING: 1239400 CPU: 4953.46, 0.00395265/step Wall: 4953.46, 0.00395265/step, 1.38409 hours remaining, 113.675781 MB of memory in use. ENERGY: 1239400 648.7371 1810.9325 2002.0544 118.0571 2.6507 -1057.1383 0.0000 0.0000 2663.8393 6189.1328 294.2285 3525.2934 6222.5483 295.8421 PRESSURE: 1239600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1239600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1239600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1239600 0 0 0 0 0 0 0 0 0 TIMING: 1239600 CPU: 4954.25, 0.00394683/step Wall: 4954.25, 0.00394682/step, 1.38183 hours remaining, 113.675781 MB of memory in use. ENERGY: 1239600 629.3993 1850.8573 1991.4190 119.9439 1.1497 -1054.8481 0.0000 0.0000 2651.3998 6189.3209 292.8545 3537.9212 6224.4699 298.8607 PRESSURE: 1239800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1239800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1239800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1239800 0 0 0 0 0 0 0 0 0 TIMING: 1239800 CPU: 4955.04, 0.00395191/step Wall: 4955.04, 0.00395191/step, 1.38339 hours remaining, 113.675781 MB of memory in use. ENERGY: 1239800 652.4169 1903.8846 1971.0914 111.5657 2.1902 -1079.4449 0.0000 0.0000 2663.2854 6224.9893 294.1673 3561.7039 6259.0509 298.5254 PRESSURE: 1240000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1240000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1240000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1240000 0 0 0 0 0 0 0 0 0 TIMING: 1240000 CPU: 4955.83, 0.00395207/step Wall: 4955.83, 0.00395207/step, 1.38322 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1240000 643.2176 1839.8244 1945.7103 101.3537 1.4921 -1076.7614 0.0000 0.0000 2729.8557 6184.6924 301.5202 3454.8367 6218.1436 297.9030 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1240000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1240000 WRITING COORDINATES TO RESTART FILE AT STEP 1240000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1240000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1240200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1240200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1240200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1240200 0 0 0 0 0 0 0 0 0 TIMING: 1240200 CPU: 4957.2, 0.00688192/step Wall: 4957.2, 0.00688192/step, 2.40829 hours remaining, 113.675781 MB of memory in use. ENERGY: 1240200 681.7634 1823.3918 1972.2383 107.3503 1.6620 -1060.5741 0.0000 0.0000 2663.4711 6189.3029 294.1878 3525.8317 6223.5947 297.0270 LDB: ============= START OF LOAD BALANCING ============== 4960.16 LDB: ============== END OF LOAD BALANCING =============== 4960.16 LDB: =============== DONE WITH MIGRATION ================ 4960.16 LDB: ============= START OF LOAD BALANCING ============== 4960.56 LDB: ============== END OF LOAD BALANCING =============== 4960.56 LDB: =============== DONE WITH MIGRATION ================ 4960.56 PRESSURE: 1240400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1240400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1240400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1240400 0 0 0 0 0 0 0 0 0 TIMING: 1240400 CPU: 4957.99, 0.0039529/step Wall: 4957.99, 0.0039529/step, 1.38308 hours remaining, 113.675781 MB of memory in use. ENERGY: 1240400 669.1423 1859.8287 1963.7501 101.8235 2.5191 -1093.0662 0.0000 0.0000 2677.3074 6181.3050 295.7161 3503.9976 6213.1124 297.7789 PRESSURE: 1240600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1240600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1240600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1240600 0 0 0 0 0 0 0 0 0 TIMING: 1240600 CPU: 4958.78, 0.00394867/step Wall: 4958.78, 0.00394867/step, 1.38138 hours remaining, 113.675781 MB of memory in use. ENERGY: 1240600 659.0029 1762.1663 1944.6858 104.7529 2.1653 -1062.9439 0.0000 0.0000 2701.7566 6111.5859 298.4165 3409.8293 6146.4174 296.6820 PRESSURE: 1240800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1240800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1240800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1240800 0 0 0 0 0 0 0 0 0 TIMING: 1240800 CPU: 4959.57, 0.00394881/step Wall: 4959.57, 0.00394881/step, 1.38121 hours remaining, 113.675781 MB of memory in use. ENERGY: 1240800 683.7412 1831.7817 1915.0639 110.0992 2.5324 -1063.9041 0.0000 0.0000 2707.7708 6187.0852 299.0808 3479.3144 6220.9450 295.2210 PRESSURE: 1241000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1241000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1241000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1241000 0 0 0 0 0 0 0 0 0 TIMING: 1241000 CPU: 4960.36, 0.00394547/step Wall: 4960.36, 0.00394547/step, 1.37982 hours remaining, 113.675781 MB of memory in use. ENERGY: 1241000 616.2869 1815.7996 1942.8481 105.8194 3.8497 -1100.0928 0.0000 0.0000 2776.8007 6161.3116 306.7054 3384.5109 6198.3414 298.1643 PRESSURE: 1241200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1241200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1241200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1241200 0 0 0 0 0 0 0 0 0 TIMING: 1241200 CPU: 4961.15, 0.00394954/step Wall: 4961.15, 0.00394954/step, 1.38102 hours remaining, 113.675781 MB of memory in use. ENERGY: 1241200 642.4797 1860.9163 1953.7453 105.7406 1.4162 -1091.7674 0.0000 0.0000 2639.6768 6112.2075 291.5597 3472.5307 6141.0923 296.4029 PRESSURE: 1241400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1241400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1241400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1241400 0 0 0 0 0 0 0 0 0 TIMING: 1241400 CPU: 4961.94, 0.00394773/step Wall: 4961.94, 0.00394773/step, 1.38017 hours remaining, 113.675781 MB of memory in use. ENERGY: 1241400 650.6195 1813.1557 1960.6606 109.1815 1.6825 -1098.8090 0.0000 0.0000 2712.8513 6149.3422 299.6420 3436.4909 6183.3902 296.3696 PRESSURE: 1241600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1241600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1241600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1241600 0 0 0 0 0 0 0 0 0 TIMING: 1241600 CPU: 4962.73, 0.00394593/step Wall: 4962.73, 0.00394593/step, 1.37932 hours remaining, 113.675781 MB of memory in use. ENERGY: 1241600 639.8635 1775.7935 1986.3728 111.6976 2.2749 -1064.4153 0.0000 0.0000 2734.5671 6186.1540 302.0405 3451.5869 6218.7900 297.5044 PRESSURE: 1241800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1241800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1241800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1241800 0 0 0 0 0 0 0 0 0 TIMING: 1241800 CPU: 4963.53, 0.00398303/step Wall: 4963.53, 0.00398303/step, 1.39207 hours remaining, 113.675781 MB of memory in use. ENERGY: 1241800 672.4360 1831.8044 1962.1082 118.8618 1.0829 -1094.0689 0.0000 0.0000 2730.2629 6222.4873 301.5651 3492.2245 6254.0063 299.5054 PRESSURE: 1242000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1242000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1242000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1242000 0 0 0 0 0 0 0 0 0 TIMING: 1242000 CPU: 4964.32, 0.00397288/step Wall: 4964.32, 0.00397288/step, 1.3883 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1242000 674.6011 1843.8449 1954.4098 109.2135 2.3606 -1092.1003 0.0000 0.0000 2685.1584 6177.4881 296.5832 3492.3297 6210.0720 299.0896 PRESSURE: 1242200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1242200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1242200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1242200 0 0 0 0 0 0 0 0 0 TIMING: 1242200 CPU: 4965.12, 0.00396239/step Wall: 4965.12, 0.00396239/step, 1.38441 hours remaining, 113.675781 MB of memory in use. ENERGY: 1242200 689.8905 1881.1201 1947.9836 100.2491 2.3288 -1087.5637 0.0000 0.0000 2698.2615 6232.2698 298.0305 3534.0083 6263.1534 297.1408 PRESSURE: 1242400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1242400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1242400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1242400 0 0 0 0 0 0 0 0 0 TIMING: 1242400 CPU: 4965.91, 0.00395205/step Wall: 4965.91, 0.00395205/step, 1.38058 hours remaining, 113.675781 MB of memory in use. ENERGY: 1242400 672.6502 1820.2531 1944.9815 119.7788 2.9595 -1057.3374 0.0000 0.0000 2756.1037 6259.3894 304.4193 3503.2857 6292.5599 302.6807 PRESSURE: 1242600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1242600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1242600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1242600 0 0 0 0 0 0 0 0 0 TIMING: 1242600 CPU: 4966.7, 0.00395048/step Wall: 4966.7, 0.00395048/step, 1.37981 hours remaining, 113.675781 MB of memory in use. ENERGY: 1242600 682.4399 1830.5947 1983.5056 110.6786 3.0976 -1078.2010 0.0000 0.0000 2736.2082 6268.3235 302.2218 3532.1153 6303.1925 299.9356 PRESSURE: 1242800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1242800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1242800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1242800 0 0 0 0 0 0 0 0 0 TIMING: 1242800 CPU: 4967.49, 0.00395107/step Wall: 4967.49, 0.00395106/step, 1.3798 hours remaining, 113.675781 MB of memory in use. ENERGY: 1242800 624.8404 1856.1433 2012.7827 113.7014 2.0779 -1062.9552 0.0000 0.0000 2708.0505 6254.6409 299.1117 3546.5904 6288.3831 300.4082 PRESSURE: 1243000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1243000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1243000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1243000 0 0 0 0 0 0 0 0 0 TIMING: 1243000 CPU: 4968.28, 0.00394565/step Wall: 4968.28, 0.00394565/step, 1.37769 hours remaining, 113.675781 MB of memory in use. ENERGY: 1243000 658.1151 1864.3954 1974.3246 108.8961 0.5076 -1050.2574 0.0000 0.0000 2719.3693 6275.3507 300.3619 3555.9814 6308.3832 301.0414 PRESSURE: 1243200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1243200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1243200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1243200 0 0 0 0 0 0 0 0 0 TIMING: 1243200 CPU: 4969.07, 0.00395131/step Wall: 4969.07, 0.00395131/step, 1.37945 hours remaining, 113.675781 MB of memory in use. ENERGY: 1243200 646.4527 1824.3595 2013.8631 105.4719 1.3100 -1099.5643 0.0000 0.0000 2758.5824 6250.4752 304.6931 3491.8928 6284.9429 301.3991 PRESSURE: 1243400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1243400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1243400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1243400 0 0 0 0 0 0 0 0 0 TIMING: 1243400 CPU: 4969.86, 0.0039504/step Wall: 4969.86, 0.0039504/step, 1.37891 hours remaining, 113.675781 MB of memory in use. ENERGY: 1243400 679.2745 1836.6126 2012.4725 109.8098 2.4453 -1095.6716 0.0000 0.0000 2749.3765 6294.3197 303.6763 3544.9431 6327.9447 302.0618 PRESSURE: 1243600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1243600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1243600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1243600 0 0 0 0 0 0 0 0 0 TIMING: 1243600 CPU: 4970.65, 0.0039498/step Wall: 4970.65, 0.0039498/step, 1.37848 hours remaining, 113.675781 MB of memory in use. ENERGY: 1243600 679.3935 1816.0450 1994.5739 103.7079 0.9417 -1091.6650 0.0000 0.0000 2789.1516 6292.1486 308.0696 3502.9970 6329.4119 302.8750 PRESSURE: 1243800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1243800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1243800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1243800 0 0 0 0 0 0 0 0 0 TIMING: 1243800 CPU: 4971.44, 0.00394907/step Wall: 4971.44, 0.00394907/step, 1.378 hours remaining, 113.675781 MB of memory in use. ENERGY: 1243800 634.9659 1832.7459 2017.0934 118.0594 2.4301 -1073.7423 0.0000 0.0000 2765.9676 6297.5200 305.5088 3531.5525 6332.9499 304.5024 PRESSURE: 1244000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1244000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1244000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1244000 0 0 0 0 0 0 0 0 0 TIMING: 1244000 CPU: 4972.22, 0.0039448/step Wall: 4972.22, 0.0039448/step, 1.3763 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1244000 635.8221 1821.6364 1976.1989 106.6553 2.6524 -1093.1254 0.0000 0.0000 2810.4011 6260.2407 310.4166 3449.8397 6298.4415 301.8772 PRESSURE: 1244200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1244200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1244200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1244200 0 0 0 0 0 0 0 0 0 TIMING: 1244200 CPU: 4973.01, 0.00394947/step Wall: 4973.01, 0.00394947/step, 1.37771 hours remaining, 113.675781 MB of memory in use. ENERGY: 1244200 633.3063 1853.2348 2000.8525 110.7129 0.8563 -1072.2024 0.0000 0.0000 2775.6590 6302.4193 306.5793 3526.7603 6337.2950 303.2306 LDB: ============= START OF LOAD BALANCING ============== 4975.97 LDB: ============== END OF LOAD BALANCING =============== 4975.97 LDB: =============== DONE WITH MIGRATION ================ 4975.97 LDB: ============= START OF LOAD BALANCING ============== 4976.37 LDB: ============== END OF LOAD BALANCING =============== 4976.37 LDB: =============== DONE WITH MIGRATION ================ 4976.37 PRESSURE: 1244400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1244400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1244400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1244400 0 0 0 0 0 0 0 0 0 TIMING: 1244400 CPU: 4973.81, 0.00395479/step Wall: 4973.81, 0.00395479/step, 1.37934 hours remaining, 113.675781 MB of memory in use. ENERGY: 1244400 650.9739 1882.1409 2009.7256 116.4620 1.4206 -1103.8731 0.0000 0.0000 2738.0119 6294.8618 302.4210 3556.8498 6329.4604 303.2408 PRESSURE: 1244600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1244600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1244600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1244600 0 0 0 0 0 0 0 0 0 TIMING: 1244600 CPU: 4974.6, 0.00394977/step Wall: 4974.6, 0.00394977/step, 1.37737 hours remaining, 113.675781 MB of memory in use. ENERGY: 1244600 676.6964 1891.5575 1983.8674 100.6197 1.0354 -1092.9181 0.0000 0.0000 2699.3028 6260.1611 298.1455 3560.8584 6289.3808 303.8000 PRESSURE: 1244800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1244800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1244800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1244800 0 0 0 0 0 0 0 0 0 TIMING: 1244800 CPU: 4975.38, 0.00394429/step Wall: 4975.38, 0.00394429/step, 1.37524 hours remaining, 113.675781 MB of memory in use. ENERGY: 1244800 688.0539 1872.4457 1996.8544 108.9120 1.9468 -1096.0933 0.0000 0.0000 2745.8554 6317.9749 303.2874 3572.1195 6352.3141 304.0738 PRESSURE: 1245000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1245000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1245000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1245000 0 0 0 0 0 0 0 0 0 TIMING: 1245000 CPU: 4976.17, 0.00394982/step Wall: 4976.17, 0.00394982/step, 1.37695 hours remaining, 113.675781 MB of memory in use. ENERGY: 1245000 680.0582 1877.4227 1951.2397 122.0701 1.5028 -1074.1302 0.0000 0.0000 2733.2895 6291.4527 301.8994 3558.1632 6324.3826 303.5937 PRESSURE: 1245200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1245200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1245200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1245200 0 0 0 0 0 0 0 0 0 TIMING: 1245200 CPU: 4976.96, 0.00394827/step Wall: 4976.96, 0.00394827/step, 1.37619 hours remaining, 113.675781 MB of memory in use. ENERGY: 1245200 691.9002 1875.4935 1961.3763 105.2164 1.4806 -1052.2784 0.0000 0.0000 2708.5260 6291.7147 299.1642 3583.1887 6322.9096 302.0526 PRESSURE: 1245400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1245400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1245400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1245400 0 0 0 0 0 0 0 0 0 TIMING: 1245400 CPU: 4977.75, 0.00395063/step Wall: 4977.75, 0.00395063/step, 1.3768 hours remaining, 113.675781 MB of memory in use. ENERGY: 1245400 639.2642 1853.7677 1985.1530 112.1697 0.9039 -1059.5202 0.0000 0.0000 2708.2368 6239.9751 299.1323 3531.7383 6273.6396 301.4982 PRESSURE: 1245600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1245600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1245600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1245600 0 0 0 0 0 0 0 0 0 TIMING: 1245600 CPU: 4978.55, 0.00396752/step Wall: 4978.55, 0.00396752/step, 1.38246 hours remaining, 113.675781 MB of memory in use. ENERGY: 1245600 630.2940 1796.2096 1967.4698 106.4752 1.7254 -1048.7949 0.0000 0.0000 2792.9263 6246.3054 308.4865 3453.3791 6282.8688 300.8502 PRESSURE: 1245800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1245800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1245800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1245800 0 0 0 0 0 0 0 0 0 TIMING: 1245800 CPU: 4979.34, 0.00394491/step Wall: 4979.34, 0.00394491/step, 1.37436 hours remaining, 113.675781 MB of memory in use. ENERGY: 1245800 691.6729 1813.9804 1995.1012 107.8794 0.8506 -1071.6218 0.0000 0.0000 2714.5842 6252.4469 299.8334 3537.8627 6285.1531 301.4233 PRESSURE: 1246000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1246000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1246000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1246000 0 0 0 0 0 0 0 0 0 TIMING: 1246000 CPU: 4980.13, 0.00394716/step Wall: 4980.13, 0.00394716/step, 1.37493 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1246000 673.4627 1880.3064 1996.2109 99.6734 -0.0805 -1105.2976 0.0000 0.0000 2692.7997 6237.0750 297.4272 3544.2753 6267.0566 299.1782 PRESSURE: 1246200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1246200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1246200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1246200 0 0 0 0 0 0 0 0 0 TIMING: 1246200 CPU: 4980.92, 0.00394655/step Wall: 4980.92, 0.00394655/step, 1.3745 hours remaining, 113.675781 MB of memory in use. ENERGY: 1246200 683.4079 1840.4162 1974.1624 116.0307 1.7447 -1089.1936 0.0000 0.0000 2664.1074 6190.6756 294.2581 3526.5682 6221.4631 299.8696 PRESSURE: 1246400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1246400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1246400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1246400 0 0 0 0 0 0 0 0 0 TIMING: 1246400 CPU: 4981.71, 0.00394919/step Wall: 4981.71, 0.00394919/step, 1.3752 hours remaining, 113.675781 MB of memory in use. ENERGY: 1246400 661.1791 1760.2080 1977.3046 109.0561 1.5157 -1035.8686 0.0000 0.0000 2720.7084 6194.1035 300.5098 3473.3950 6226.9987 296.9181 PRESSURE: 1246600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1246600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1246600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1246600 0 0 0 0 0 0 0 0 0 TIMING: 1246600 CPU: 4982.49, 0.00394711/step Wall: 4982.49, 0.00394711/step, 1.37425 hours remaining, 113.675781 MB of memory in use. ENERGY: 1246600 602.6208 1791.4035 2010.1199 111.9604 1.4321 -1049.7300 0.0000 0.0000 2722.1899 6189.9966 300.6735 3467.8067 6226.2298 298.9499 PRESSURE: 1246800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1246800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1246800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1246800 0 0 0 0 0 0 0 0 0 TIMING: 1246800 CPU: 4983.28, 0.00394562/step Wall: 4983.28, 0.00394562/step, 1.37351 hours remaining, 113.675781 MB of memory in use. ENERGY: 1246800 655.5276 1821.7169 1998.0592 107.8799 1.6433 -1085.2936 0.0000 0.0000 2696.1316 6195.6649 297.7953 3499.5333 6226.8153 297.7490 PRESSURE: 1247000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1247000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1247000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1247000 0 0 0 0 0 0 0 0 0 TIMING: 1247000 CPU: 4984.07, 0.00394722/step Wall: 4984.07, 0.00394722/step, 1.37385 hours remaining, 113.675781 MB of memory in use. ENERGY: 1247000 640.4450 1814.0296 1996.4134 100.6034 0.4013 -1081.8298 0.0000 0.0000 2700.5380 6170.6009 298.2819 3470.0629 6202.5936 295.6783 PRESSURE: 1247200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1247200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1247200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1247200 0 0 0 0 0 0 0 0 0 TIMING: 1247200 CPU: 4984.86, 0.0039464/step Wall: 4984.86, 0.0039464/step, 1.37335 hours remaining, 113.675781 MB of memory in use. ENERGY: 1247200 607.2088 1826.8576 1997.4891 118.0666 -0.0572 -1082.9226 0.0000 0.0000 2695.0358 6161.6782 297.6742 3466.6424 6191.7380 296.2903 PRESSURE: 1247400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1247400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1247400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1247400 0 0 0 0 0 0 0 0 0 TIMING: 1247400 CPU: 4985.65, 0.00394667/step Wall: 4985.65, 0.00394667/step, 1.37322 hours remaining, 113.675781 MB of memory in use. ENERGY: 1247400 677.2757 1818.3820 1989.9752 112.3870 0.7907 -1071.2585 0.0000 0.0000 2664.1958 6191.7478 294.2679 3527.5520 6222.2741 296.9967 PRESSURE: 1247600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1247600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1247600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1247600 0 0 0 0 0 0 0 0 0 TIMING: 1247600 CPU: 4986.44, 0.00394382/step Wall: 4986.44, 0.00394382/step, 1.37201 hours remaining, 113.675781 MB of memory in use. ENERGY: 1247600 647.8507 1743.3653 1978.3307 103.9143 0.1261 -1050.4698 0.0000 0.0000 2749.9601 6173.0773 303.7408 3423.1173 6207.6816 296.5175 PRESSURE: 1247800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1247800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1247800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1247800 0 0 0 0 0 0 0 0 0 TIMING: 1247800 CPU: 4987.23, 0.00394913/step Wall: 4987.23, 0.00394913/step, 1.37364 hours remaining, 113.675781 MB of memory in use. ENERGY: 1247800 643.4518 1837.5727 1977.0808 113.2516 1.1994 -1074.5251 0.0000 0.0000 2695.9172 6193.9483 297.7716 3498.0311 6225.4981 296.9823 PRESSURE: 1248000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1248000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1248000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1248000 0 0 0 0 0 0 0 0 0 TIMING: 1248000 CPU: 4988.02, 0.00394829/step Wall: 4988.02, 0.00394829/step, 1.37313 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1248000 629.5389 1835.6715 1986.4687 111.3978 0.9080 -1055.5437 0.0000 0.0000 2680.6153 6189.0564 296.0814 3508.4411 6221.5837 297.4250 PRESSURE: 1248200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1248200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1248200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1248200 0 0 0 0 0 0 0 0 0 TIMING: 1248200 CPU: 4988.81, 0.00394892/step Wall: 4988.81, 0.00394892/step, 1.37313 hours remaining, 113.675781 MB of memory in use. ENERGY: 1248200 673.1972 1847.0528 1951.5220 104.9452 0.5467 -1088.4474 0.0000 0.0000 2748.5462 6237.3627 303.5846 3488.8166 6273.5269 297.6319 LDB: ============= START OF LOAD BALANCING ============== 4991.77 LDB: ============== END OF LOAD BALANCING =============== 4991.77 LDB: =============== DONE WITH MIGRATION ================ 4991.77 LDB: ============= START OF LOAD BALANCING ============== 4992.16 LDB: ============== END OF LOAD BALANCING =============== 4992.16 LDB: =============== DONE WITH MIGRATION ================ 4992.16 PRESSURE: 1248400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1248400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1248400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1248400 0 0 0 0 0 0 0 0 0 TIMING: 1248400 CPU: 4989.6, 0.0039528/step Wall: 4989.6, 0.0039528/step, 1.37426 hours remaining, 113.675781 MB of memory in use. ENERGY: 1248400 693.3238 1810.4946 1934.9727 107.8019 1.0657 -1043.5784 0.0000 0.0000 2708.9542 6213.0344 299.2115 3504.0802 6247.3326 300.1420 PRESSURE: 1248600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1248600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1248600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1248600 0 0 0 0 0 0 0 0 0 TIMING: 1248600 CPU: 4990.39, 0.00394609/step Wall: 4990.39, 0.00394609/step, 1.37171 hours remaining, 113.675781 MB of memory in use. ENERGY: 1248600 639.5978 1848.2828 1963.9645 103.7496 2.6170 -1043.2827 0.0000 0.0000 2726.7797 6241.7087 301.1804 3514.9290 6273.3107 299.0539 PRESSURE: 1248800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1248800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1248800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1248800 0 0 0 0 0 0 0 0 0 TIMING: 1248800 CPU: 4991.18, 0.00395168/step Wall: 4991.18, 0.00395168/step, 1.37343 hours remaining, 113.675781 MB of memory in use. ENERGY: 1248800 686.8416 1844.2671 1992.2404 111.3424 0.7626 -1057.3505 0.0000 0.0000 2670.6388 6248.7424 294.9795 3578.1036 6283.7521 301.3947 PRESSURE: 1249000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1249000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1249000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1249000 0 0 0 0 0 0 0 0 0 TIMING: 1249000 CPU: 4991.97, 0.00394979/step Wall: 4991.97, 0.00394979/step, 1.37255 hours remaining, 113.675781 MB of memory in use. ENERGY: 1249000 656.6328 1818.5365 1969.1980 105.6902 1.2608 -1030.3109 0.0000 0.0000 2742.6375 6263.6448 302.9320 3521.0073 6299.2407 301.4033 PRESSURE: 1249200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1249200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1249200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1249200 0 0 0 0 0 0 0 0 0 TIMING: 1249200 CPU: 4992.76, 0.00395066/step Wall: 4992.76, 0.00395066/step, 1.37263 hours remaining, 113.675781 MB of memory in use. ENERGY: 1249200 635.4868 1818.6567 1975.7864 101.0198 2.2974 -1031.0340 0.0000 0.0000 2771.3956 6273.6088 306.1084 3502.2132 6308.3508 301.0382 PRESSURE: 1249400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1249400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1249400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1249400 0 0 0 0 0 0 0 0 0 TIMING: 1249400 CPU: 4993.55, 0.00394918/step Wall: 4993.55, 0.00394918/step, 1.3719 hours remaining, 113.675781 MB of memory in use. ENERGY: 1249400 677.1010 1828.3108 1991.6746 98.2172 0.4967 -1074.6350 0.0000 0.0000 2778.6087 6299.7740 306.9051 3521.1653 6334.7025 302.6154 PRESSURE: 1249600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1249600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1249600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1249600 0 0 0 0 0 0 0 0 0 TIMING: 1249600 CPU: 4994.34, 0.00394685/step Wall: 4994.34, 0.00394685/step, 1.37087 hours remaining, 113.675781 MB of memory in use. ENERGY: 1249600 642.9895 1941.4631 1979.7169 105.5267 2.0101 -1103.9483 0.0000 0.0000 2720.1478 6287.9058 300.4479 3567.7580 6320.9904 303.4670 PRESSURE: 1249800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1249800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1249800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1249800 0 0 0 0 0 0 0 0 0 TIMING: 1249800 CPU: 4995.13, 0.0039513/step Wall: 4995.13, 0.00395129/step, 1.3722 hours remaining, 113.675781 MB of memory in use. ENERGY: 1249800 630.9027 1833.4960 2001.6762 108.9793 3.3630 -1052.5881 0.0000 0.0000 2738.9134 6264.7425 302.5206 3525.8291 6300.2632 300.2201 PRESSURE: 1250000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1250000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1250000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1250000 0 0 0 0 0 0 0 0 0 TIMING: 1250000 CPU: 4995.92, 0.00395054/step Wall: 4995.92, 0.00395054/step, 1.37172 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1250000 672.1584 1841.6961 1957.2575 100.7217 1.5068 -1084.7181 0.0000 0.0000 2714.5474 6203.1699 299.8293 3488.6225 6234.1589 298.8797 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1250000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1250000 WRITING COORDINATES TO RESTART FILE AT STEP 1250000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1250000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1250200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1250200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1250200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1250200 0 0 0 0 0 0 0 0 0 TIMING: 1250200 CPU: 5004.14, 0.041104/step Wall: 5004.14, 0.041104/step, 14.2699 hours remaining, 113.675781 MB of memory in use. ENERGY: 1250200 654.2097 1858.5256 1969.0630 121.5054 1.6801 -1075.1637 0.0000 0.0000 2711.9901 6241.8101 299.5469 3529.8200 6274.4742 299.3298 PRESSURE: 1250400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1250400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1250400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1250400 0 0 0 0 0 0 0 0 0 TIMING: 1250400 CPU: 5004.93, 0.00395059/step Wall: 5004.93, 0.00395059/step, 1.37129 hours remaining, 113.675781 MB of memory in use. ENERGY: 1250400 654.8112 1847.2399 1976.2932 117.3008 1.9326 -1072.3411 0.0000 0.0000 2736.0445 6261.2811 302.2037 3525.2366 6293.4038 300.0145 PRESSURE: 1250600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1250600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1250600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1250600 0 0 0 0 0 0 0 0 0 TIMING: 1250600 CPU: 5005.72, 0.00395045/step Wall: 5005.72, 0.00395045/step, 1.37103 hours remaining, 113.675781 MB of memory in use. ENERGY: 1250600 641.1917 1804.4363 1970.0102 123.5224 1.4266 -1066.4563 0.0000 0.0000 2707.6337 6181.7645 299.0657 3474.1308 6218.0574 299.1673 PRESSURE: 1250800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1250800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1250800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1250800 0 0 0 0 0 0 0 0 0 TIMING: 1250800 CPU: 5006.51, 0.00395046/step Wall: 5006.51, 0.00395046/step, 1.37081 hours remaining, 113.675781 MB of memory in use. ENERGY: 1250800 632.7181 1874.3214 1995.1831 103.3998 1.5118 -1058.2912 0.0000 0.0000 2690.3796 6239.2227 297.1599 3548.8431 6270.5166 298.5536 PRESSURE: 1251000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1251000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1251000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1251000 0 0 0 0 0 0 0 0 0 TIMING: 1251000 CPU: 5007.3, 0.00394736/step Wall: 5007.3, 0.00394735/step, 1.36951 hours remaining, 113.675781 MB of memory in use. ENERGY: 1251000 644.6424 1819.6816 1993.2309 117.8040 2.1288 -1054.3806 0.0000 0.0000 2738.0651 6261.1723 302.4269 3523.1073 6298.0564 301.2063 PRESSURE: 1251200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1251200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1251200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1251200 0 0 0 0 0 0 0 0 0 TIMING: 1251200 CPU: 5008.09, 0.003951/step Wall: 5008.09, 0.00395101/step, 1.37056 hours remaining, 113.675781 MB of memory in use. ENERGY: 1251200 630.4435 1884.5768 1994.1523 106.0081 1.9662 -1046.8100 0.0000 0.0000 2700.1451 6270.4819 298.2386 3570.3368 6301.7119 301.5940 PRESSURE: 1251400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1251400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1251400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1251400 0 0 0 0 0 0 0 0 0 TIMING: 1251400 CPU: 5008.88, 0.00395069/step Wall: 5008.88, 0.00395069/step, 1.37023 hours remaining, 113.675781 MB of memory in use. ENERGY: 1251400 658.1440 1870.1947 1977.6984 114.8044 2.0301 -1097.3922 0.0000 0.0000 2737.4336 6262.9130 302.3572 3525.4794 6297.6738 302.0980 PRESSURE: 1251600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1251600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1251600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1251600 0 0 0 0 0 0 0 0 0 TIMING: 1251600 CPU: 5009.67, 0.00395072/step Wall: 5009.67, 0.00395072/step, 1.37002 hours remaining, 113.675781 MB of memory in use. ENERGY: 1251600 681.4247 1868.5229 1970.5877 95.6344 1.3587 -1091.8050 0.0000 0.0000 2739.6444 6265.3678 302.6014 3525.7234 6300.9671 302.3585 PRESSURE: 1251800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1251800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1251800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1251800 0 0 0 0 0 0 0 0 0 TIMING: 1251800 CPU: 5010.46, 0.00394567/step Wall: 5010.46, 0.00394568/step, 1.36805 hours remaining, 113.675781 MB of memory in use. ENERGY: 1251800 669.7549 1848.6787 1996.9990 106.7390 1.0658 -1077.7587 0.0000 0.0000 2701.9323 6247.4110 298.4359 3545.4787 6278.5367 303.1098 PRESSURE: 1252000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1252000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1252000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1252000 0 0 0 0 0 0 0 0 0 TIMING: 1252000 CPU: 5011.25, 0.00395068/step Wall: 5011.25, 0.00395068/step, 1.36957 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1252000 675.9609 1884.9982 1986.8021 105.5974 2.3129 -1069.2518 0.0000 0.0000 2706.4671 6292.8868 298.9368 3586.4197 6325.5844 302.0262 PRESSURE: 1252200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1252200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1252200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1252200 0 0 0 0 0 0 0 0 0 TIMING: 1252200 CPU: 5012.04, 0.00394968/step Wall: 5012.04, 0.00394968/step, 1.369 hours remaining, 113.675781 MB of memory in use. ENERGY: 1252200 650.5674 1898.2815 1971.7470 98.9131 1.8938 -1074.2708 0.0000 0.0000 2727.5915 6274.7234 301.2701 3547.1319 6308.7732 303.1208 LDB: ============= START OF LOAD BALANCING ============== 5015 LDB: ============== END OF LOAD BALANCING =============== 5015 LDB: =============== DONE WITH MIGRATION ================ 5015 LDB: ============= START OF LOAD BALANCING ============== 5015.39 LDB: ============== END OF LOAD BALANCING =============== 5015.39 LDB: =============== DONE WITH MIGRATION ================ 5015.39 PRESSURE: 1252400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1252400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1252400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1252400 0 0 0 0 0 0 0 0 0 TIMING: 1252400 CPU: 5012.83, 0.00395382/step Wall: 5012.83, 0.00395382/step, 1.37022 hours remaining, 113.675781 MB of memory in use. ENERGY: 1252400 650.3665 1863.3180 1967.2254 111.1531 0.8913 -1095.4720 0.0000 0.0000 2718.2046 6215.6869 300.2333 3497.4823 6249.9120 300.9326 PRESSURE: 1252600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1252600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1252600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1252600 0 0 0 0 0 0 0 0 0 TIMING: 1252600 CPU: 5013.62, 0.0039509/step Wall: 5013.62, 0.0039509/step, 1.36899 hours remaining, 113.675781 MB of memory in use. ENERGY: 1252600 631.8807 1847.0713 1965.9160 109.4434 1.2508 -1092.5874 0.0000 0.0000 2689.5482 6152.5231 297.0681 3462.9749 6185.8924 295.7446 PRESSURE: 1252800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1252800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1252800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1252800 0 0 0 0 0 0 0 0 0 TIMING: 1252800 CPU: 5014.41, 0.00394729/step Wall: 5014.41, 0.00394729/step, 1.36752 hours remaining, 113.675781 MB of memory in use. ENERGY: 1252800 639.3393 1883.3585 2001.7817 98.8358 1.5442 -1092.6499 0.0000 0.0000 2651.5063 6183.7159 292.8663 3532.2096 6214.5592 295.4328 PRESSURE: 1253000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1253000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1253000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1253000 0 0 0 0 0 0 0 0 0 TIMING: 1253000 CPU: 5015.2, 0.00395095/step Wall: 5015.2, 0.00395095/step, 1.36857 hours remaining, 113.675781 MB of memory in use. ENERGY: 1253000 675.4987 1878.1396 1979.3869 102.4983 2.7258 -1115.6733 0.0000 0.0000 2721.0939 6243.6699 300.5524 3522.5760 6279.1325 298.7284 PRESSURE: 1253200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1253200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1253200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1253200 0 0 0 0 0 0 0 0 0 TIMING: 1253200 CPU: 5015.99, 0.00395149/step Wall: 5015.99, 0.00395149/step, 1.36853 hours remaining, 113.675781 MB of memory in use. ENERGY: 1253200 652.7154 1871.2531 1988.8044 108.9600 1.0001 -1094.4613 0.0000 0.0000 2703.5584 6231.8300 298.6156 3528.2716 6264.5602 299.4680 PRESSURE: 1253400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1253400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1253400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1253400 0 0 0 0 0 0 0 0 0 TIMING: 1253400 CPU: 5016.78, 0.00395198/step Wall: 5016.78, 0.00395198/step, 1.36848 hours remaining, 113.675781 MB of memory in use. ENERGY: 1253400 650.0322 1913.8528 1990.3808 97.7802 2.4521 -1081.0389 0.0000 0.0000 2718.7015 6292.1608 300.2882 3573.4593 6323.4447 300.4833 PRESSURE: 1253600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1253600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1253600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1253600 0 0 0 0 0 0 0 0 0 TIMING: 1253600 CPU: 5017.57, 0.00395182/step Wall: 5017.57, 0.00395182/step, 1.36821 hours remaining, 113.675781 MB of memory in use. ENERGY: 1253600 658.4500 1858.3009 1993.2702 112.9501 2.2524 -1054.2103 0.0000 0.0000 2685.6823 6256.6957 296.6411 3571.0134 6289.8320 302.9060 PRESSURE: 1253800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1253800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1253800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1253800 0 0 0 0 0 0 0 0 0 TIMING: 1253800 CPU: 5018.36, 0.00394672/step Wall: 5018.36, 0.00394672/step, 1.36622 hours remaining, 113.675781 MB of memory in use. ENERGY: 1253800 653.9197 1893.9693 1966.4394 112.7704 1.3103 -1107.1820 0.0000 0.0000 2745.7122 6266.9394 303.2716 3521.2271 6299.2201 302.4803 PRESSURE: 1254000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1254000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1254000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1254000 0 0 0 0 0 0 0 0 0 TIMING: 1254000 CPU: 5019.15, 0.00395883/step Wall: 5019.15, 0.00395883/step, 1.3702 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1254000 659.1237 1836.0246 1974.4043 104.8920 1.5051 -1092.2781 0.0000 0.0000 2804.4246 6288.0963 309.7565 3483.6717 6324.4029 303.6971 PRESSURE: 1254200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1254200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1254200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1254200 0 0 0 0 0 0 0 0 0 TIMING: 1254200 CPU: 5019.94, 0.00394899/step Wall: 5019.94, 0.00394899/step, 1.36657 hours remaining, 113.675781 MB of memory in use. ENERGY: 1254200 668.0631 1866.9570 1963.3674 107.7234 0.9999 -1059.3225 0.0000 0.0000 2756.7241 6304.5125 304.4879 3547.7884 6339.7332 303.2834 PRESSURE: 1254400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1254400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1254400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1254400 0 0 0 0 0 0 0 0 0 TIMING: 1254400 CPU: 5020.73, 0.00395172/step Wall: 5020.73, 0.00395172/step, 1.3673 hours remaining, 113.675781 MB of memory in use. ENERGY: 1254400 607.2023 1853.7631 1953.9068 94.1658 1.6824 -1060.1615 0.0000 0.0000 2742.6829 6193.2419 302.9370 3450.5590 6226.9762 301.0087 PRESSURE: 1254600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1254600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1254600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1254600 0 0 0 0 0 0 0 0 0 TIMING: 1254600 CPU: 5021.52, 0.0039465/step Wall: 5021.52, 0.0039465/step, 1.36527 hours remaining, 113.675781 MB of memory in use. ENERGY: 1254600 676.7012 1842.3400 1972.1903 117.2889 2.2778 -1079.9073 0.0000 0.0000 2647.1151 6178.0060 292.3812 3530.8909 6208.2034 298.4395 PRESSURE: 1254800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1254800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1254800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1254800 0 0 0 0 0 0 0 0 0 TIMING: 1254800 CPU: 5022.31, 0.00394969/step Wall: 5022.31, 0.00394969/step, 1.36615 hours remaining, 113.675781 MB of memory in use. ENERGY: 1254800 671.7760 1913.5359 1967.4762 114.3784 2.1573 -1099.1256 0.0000 0.0000 2674.9442 6245.1425 295.4550 3570.1983 6276.1085 299.6558 PRESSURE: 1255000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1255000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1255000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1255000 0 0 0 0 0 0 0 0 0 TIMING: 1255000 CPU: 5023.1, 0.00396111/step Wall: 5023.1, 0.00396111/step, 1.36988 hours remaining, 113.675781 MB of memory in use. ENERGY: 1255000 644.0011 1836.3193 1997.9691 100.3021 0.6452 -1047.4129 0.0000 0.0000 2757.1404 6288.9644 304.5338 3531.8240 6320.6274 300.1852 PRESSURE: 1255200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1255200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1255200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1255200 0 0 0 0 0 0 0 0 0 TIMING: 1255200 CPU: 5023.9, 0.00395429/step Wall: 5023.9, 0.00395429/step, 1.36731 hours remaining, 113.675781 MB of memory in use. ENERGY: 1255200 659.4198 1868.4433 2007.5263 124.4583 1.1610 -1075.4381 0.0000 0.0000 2752.2224 6337.7931 303.9906 3585.5707 6369.9004 304.8243 PRESSURE: 1255400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1255400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1255400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1255400 0 0 0 0 0 0 0 0 0 TIMING: 1255400 CPU: 5024.69, 0.00395427/step Wall: 5024.69, 0.00395427/step, 1.36708 hours remaining, 113.675781 MB of memory in use. ENERGY: 1255400 700.6474 1866.6409 1971.0877 116.9727 2.0399 -1083.3276 0.0000 0.0000 2740.1903 6314.2513 302.6617 3574.0610 6347.0113 305.6157 PRESSURE: 1255600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1255600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1255600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1255600 0 0 0 0 0 0 0 0 0 TIMING: 1255600 CPU: 5025.48, 0.00394706/step Wall: 5025.48, 0.00394705/step, 1.36436 hours remaining, 113.675781 MB of memory in use. ENERGY: 1255600 646.4875 1867.2804 1965.4398 103.1121 3.1826 -1081.0092 0.0000 0.0000 2757.8988 6262.3920 304.6176 3504.4932 6299.9920 302.9435 PRESSURE: 1255800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1255800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1255800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1255800 0 0 0 0 0 0 0 0 0 TIMING: 1255800 CPU: 5026.27, 0.0039508/step Wall: 5026.27, 0.0039508/step, 1.36544 hours remaining, 113.675781 MB of memory in use. ENERGY: 1255800 683.4199 1866.1087 1980.7722 125.4493 4.2828 -1076.8330 0.0000 0.0000 2700.8142 6284.0142 298.3125 3583.1999 6312.6857 301.9544 PRESSURE: 1256000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1256000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1256000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1256000 0 0 0 0 0 0 0 0 0 TIMING: 1256000 CPU: 5027.06, 0.00395399/step Wall: 5027.06, 0.00395399/step, 1.36632 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1256000 642.5975 1832.3816 1988.7148 115.5494 2.4869 -1068.8037 0.0000 0.0000 2761.0043 6273.9309 304.9606 3512.9265 6311.6351 302.6593 PRESSURE: 1256200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1256200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1256200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1256200 0 0 0 0 0 0 0 0 0 TIMING: 1256200 CPU: 5027.85, 0.0039491/step Wall: 5027.85, 0.0039491/step, 1.36441 hours remaining, 113.675781 MB of memory in use. ENERGY: 1256200 673.3811 1880.2923 1977.7918 99.8905 1.6922 -1077.3267 0.0000 0.0000 2713.7576 6269.4788 299.7421 3555.7212 6302.5720 301.5309 LDB: ============= START OF LOAD BALANCING ============== 5030.81 LDB: ============== END OF LOAD BALANCING =============== 5030.81 LDB: =============== DONE WITH MIGRATION ================ 5030.81 LDB: ============= START OF LOAD BALANCING ============== 5031.2 LDB: ============== END OF LOAD BALANCING =============== 5031.2 LDB: =============== DONE WITH MIGRATION ================ 5031.2 PRESSURE: 1256400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1256400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1256400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1256400 0 0 0 0 0 0 0 0 0 TIMING: 1256400 CPU: 5028.64, 0.00395619/step Wall: 5028.64, 0.00395619/step, 1.36664 hours remaining, 113.675781 MB of memory in use. ENERGY: 1256400 658.3313 1827.3741 1962.8110 109.7651 0.8246 -1008.8450 0.0000 0.0000 2712.9353 6263.1964 299.6513 3550.2611 6292.9889 301.9066 PRESSURE: 1256600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1256600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1256600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1256600 0 0 0 0 0 0 0 0 0 TIMING: 1256600 CPU: 5029.43, 0.00394718/step Wall: 5029.43, 0.00394718/step, 1.36331 hours remaining, 113.675781 MB of memory in use. ENERGY: 1256600 675.7133 1841.3938 1979.6213 97.6051 2.0691 -1060.2532 0.0000 0.0000 2732.4113 6268.5607 301.8024 3536.1494 6302.6475 302.2700 PRESSURE: 1256800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1256800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1256800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1256800 0 0 0 0 0 0 0 0 0 TIMING: 1256800 CPU: 5030.22, 0.00395186/step Wall: 5030.22, 0.00395186/step, 1.36471 hours remaining, 113.675781 MB of memory in use. ENERGY: 1256800 673.8929 1837.6477 1965.7610 101.6553 1.4211 -1082.0276 0.0000 0.0000 2768.4213 6266.7716 305.7798 3498.3504 6299.9361 301.9309 PRESSURE: 1257000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1257000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1257000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1257000 0 0 0 0 0 0 0 0 0 TIMING: 1257000 CPU: 5031.01, 0.00395166/step Wall: 5031.01, 0.00395166/step, 1.36442 hours remaining, 113.675781 MB of memory in use. ENERGY: 1257000 693.7792 1857.1004 1997.0606 115.4900 0.5136 -1089.6572 0.0000 0.0000 2719.4860 6293.7726 300.3748 3574.2866 6328.9358 301.8744 PRESSURE: 1257200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1257200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1257200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1257200 0 0 0 0 0 0 0 0 0 TIMING: 1257200 CPU: 5031.8, 0.00395184/step Wall: 5031.8, 0.00395184/step, 1.36426 hours remaining, 113.675781 MB of memory in use. ENERGY: 1257200 634.8079 1862.3087 2002.6411 106.3126 1.1403 -1080.0815 0.0000 0.0000 2727.6418 6254.7708 301.2756 3527.1291 6286.9269 302.5277 PRESSURE: 1257400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1257400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1257400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1257400 0 0 0 0 0 0 0 0 0 TIMING: 1257400 CPU: 5032.59, 0.0039517/step Wall: 5032.59, 0.0039517/step, 1.364 hours remaining, 113.675781 MB of memory in use. ENERGY: 1257400 662.6174 1887.6668 1973.3142 114.3281 2.0606 -1092.6993 0.0000 0.0000 2700.0430 6247.3309 298.2273 3547.2879 6278.3313 300.6331 PRESSURE: 1257600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1257600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1257600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1257600 0 0 0 0 0 0 0 0 0 TIMING: 1257600 CPU: 5033.38, 0.00394775/step Wall: 5033.38, 0.00394775/step, 1.36241 hours remaining, 113.675781 MB of memory in use. ENERGY: 1257600 633.8393 1871.3370 1948.5948 100.4613 1.7373 -1051.4877 0.0000 0.0000 2720.1639 6224.6459 300.4497 3504.4820 6256.9618 300.4798 PRESSURE: 1257800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1257800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1257800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1257800 0 0 0 0 0 0 0 0 0 TIMING: 1257800 CPU: 5034.17, 0.00395134/step Wall: 5034.17, 0.00395134/step, 1.36343 hours remaining, 113.675781 MB of memory in use. ENERGY: 1257800 630.1096 1841.2159 1958.4827 100.2606 2.1100 -1054.7637 0.0000 0.0000 2709.0658 6186.4809 299.2239 3477.4151 6221.3964 297.4859 PRESSURE: 1258000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1258000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1258000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1258000 0 0 0 0 0 0 0 0 0 TIMING: 1258000 CPU: 5034.96, 0.00395107/step Wall: 5034.96, 0.00395107/step, 1.36312 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1258000 674.0014 1799.4493 1975.1516 107.9704 0.8352 -1074.3973 0.0000 0.0000 2684.6133 6167.6240 296.5230 3483.0107 6200.0053 297.3079 PRESSURE: 1258200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1258200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1258200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1258200 0 0 0 0 0 0 0 0 0 TIMING: 1258200 CPU: 5035.75, 0.00395113/step Wall: 5035.75, 0.00395113/step, 1.36292 hours remaining, 113.675781 MB of memory in use. ENERGY: 1258200 675.1138 1810.4552 1950.6207 106.1068 0.9907 -1059.2747 0.0000 0.0000 2717.5191 6201.5316 300.1576 3484.0125 6235.0099 297.2279 PRESSURE: 1258400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1258400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1258400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1258400 0 0 0 0 0 0 0 0 0 TIMING: 1258400 CPU: 5036.54, 0.00394778/step Wall: 5036.54, 0.00394778/step, 1.36155 hours remaining, 113.675781 MB of memory in use. ENERGY: 1258400 658.7107 1823.1173 1923.0507 122.9958 2.3832 -1078.4282 0.0000 0.0000 2718.2919 6170.1215 300.2429 3451.8295 6207.1272 297.1612 PRESSURE: 1258600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1258600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1258600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1258600 0 0 0 0 0 0 0 0 0 TIMING: 1258600 CPU: 5037.33, 0.00395275/step Wall: 5037.33, 0.00395275/step, 1.36304 hours remaining, 113.675781 MB of memory in use. ENERGY: 1258600 654.2707 1830.3143 1936.5301 101.9997 2.4465 -1059.9493 0.0000 0.0000 2742.3327 6207.9447 302.8983 3465.6120 6240.6561 299.4960 PRESSURE: 1258800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1258800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1258800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1258800 0 0 0 0 0 0 0 0 0 TIMING: 1258800 CPU: 5038.12, 0.00395173/step Wall: 5038.12, 0.00395173/step, 1.36247 hours remaining, 113.675781 MB of memory in use. ENERGY: 1258800 648.2471 1786.5335 1972.7870 106.8116 0.4392 -1039.2128 0.0000 0.0000 2775.8167 6251.4223 306.5967 3475.6056 6287.3395 299.2699 PRESSURE: 1259000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1259000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1259000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1259000 0 0 0 0 0 0 0 0 0 TIMING: 1259000 CPU: 5038.91, 0.00394908/step Wall: 5038.91, 0.00394908/step, 1.36134 hours remaining, 113.675781 MB of memory in use. ENERGY: 1259000 635.7524 1817.4180 1971.7233 107.8024 1.0267 -1086.0059 0.0000 0.0000 2829.2333 6276.9503 312.4967 3447.7170 6312.6579 303.5743 PRESSURE: 1259200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1259200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1259200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1259200 0 0 0 0 0 0 0 0 0 TIMING: 1259200 CPU: 5039.7, 0.0039506/step Wall: 5039.7, 0.0039506/step, 1.36164 hours remaining, 113.675781 MB of memory in use. ENERGY: 1259200 645.4350 1797.0341 1955.2213 114.0528 1.1789 -1030.2636 0.0000 0.0000 2795.4859 6278.1444 308.7692 3482.6585 6314.8826 301.3998 PRESSURE: 1259400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1259400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1259400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1259400 0 0 0 0 0 0 0 0 0 TIMING: 1259400 CPU: 5040.49, 0.00394592/step Wall: 5040.49, 0.00394592/step, 1.35981 hours remaining, 113.675781 MB of memory in use. ENERGY: 1259400 664.6241 1840.9859 1948.0489 111.5557 1.2614 -1040.3519 0.0000 0.0000 2698.2548 6224.3787 298.0298 3526.1239 6256.2064 300.7949 PRESSURE: 1259600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1259600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1259600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1259600 0 0 0 0 0 0 0 0 0 TIMING: 1259600 CPU: 5041.28, 0.00395105/step Wall: 5041.28, 0.00395105/step, 1.36136 hours remaining, 113.675781 MB of memory in use. ENERGY: 1259600 664.9050 1824.2155 1964.3164 106.9750 0.9724 -1039.2675 0.0000 0.0000 2694.5055 6216.6223 297.6156 3522.1168 6251.1177 298.9635 PRESSURE: 1259800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1259800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1259800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1259800 0 0 0 0 0 0 0 0 0 TIMING: 1259800 CPU: 5042.07, 0.00395031/step Wall: 5042.07, 0.00395031/step, 1.36088 hours remaining, 113.675781 MB of memory in use. ENERGY: 1259800 644.8067 1825.3482 1960.1495 103.2131 1.6448 -1059.8195 0.0000 0.0000 2777.3667 6252.7094 306.7679 3475.3427 6286.9331 301.0313 PRESSURE: 1260000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1260000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1260000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1260000 0 0 0 0 0 0 0 0 0 TIMING: 1260000 CPU: 5042.86, 0.00394954/step Wall: 5042.86, 0.00394954/step, 1.3604 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1260000 683.9216 1873.1416 1954.5055 109.8997 0.8980 -1076.6629 0.0000 0.0000 2682.9619 6228.6654 296.3406 3545.7035 6258.8782 299.8892 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1260000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1260000 WRITING COORDINATES TO RESTART FILE AT STEP 1260000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1260000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1260200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1260200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1260200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1260200 0 0 0 0 0 0 0 0 0 TIMING: 1260200 CPU: 5044.7, 0.00919644/step Wall: 5044.7, 0.00919644/step, 3.16715 hours remaining, 113.675781 MB of memory in use. ENERGY: 1260200 674.4518 1853.9560 1950.5399 118.2488 0.8944 -1110.5160 0.0000 0.0000 2691.1015 6178.6764 297.2397 3487.5749 6212.5955 297.3880 LDB: ============= START OF LOAD BALANCING ============== 5047.66 LDB: ============== END OF LOAD BALANCING =============== 5047.66 LDB: =============== DONE WITH MIGRATION ================ 5047.66 LDB: ============= START OF LOAD BALANCING ============== 5048.05 LDB: ============== END OF LOAD BALANCING =============== 5048.05 LDB: =============== DONE WITH MIGRATION ================ 5048.05 PRESSURE: 1260400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1260400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1260400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1260400 0 0 0 0 0 0 0 0 0 TIMING: 1260400 CPU: 5045.49, 0.00394979/step Wall: 5045.49, 0.00394979/step, 1.36005 hours remaining, 113.675781 MB of memory in use. ENERGY: 1260400 634.5649 1832.5760 1967.8648 111.2672 0.2464 -1047.0495 0.0000 0.0000 2699.8219 6199.2918 298.2029 3499.4699 6231.9884 297.8867 PRESSURE: 1260600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1260600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1260600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1260600 0 0 0 0 0 0 0 0 0 TIMING: 1260600 CPU: 5046.28, 0.00394742/step Wall: 5046.28, 0.00394742/step, 1.35901 hours remaining, 113.675781 MB of memory in use. ENERGY: 1260600 653.7480 1845.4845 1943.0763 101.5131 0.2443 -1080.7909 0.0000 0.0000 2725.4456 6188.7210 301.0331 3463.2753 6223.7902 298.8797 PRESSURE: 1260800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1260800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1260800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1260800 0 0 0 0 0 0 0 0 0 TIMING: 1260800 CPU: 5047.07, 0.00394844/step Wall: 5047.07, 0.00394844/step, 1.35914 hours remaining, 113.675781 MB of memory in use. ENERGY: 1260800 680.5584 1827.7382 1960.9547 104.0970 1.7065 -1071.2345 0.0000 0.0000 2642.2381 6146.0583 291.8426 3503.8202 6178.2130 298.0819 PRESSURE: 1261000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1261000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1261000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1261000 0 0 0 0 0 0 0 0 0 TIMING: 1261000 CPU: 5047.86, 0.00394655/step Wall: 5047.86, 0.00394655/step, 1.35827 hours remaining, 113.675781 MB of memory in use. ENERGY: 1261000 647.2470 1809.2350 1955.0725 111.3048 1.1442 -1096.4762 0.0000 0.0000 2733.4321 6160.9595 301.9152 3427.5273 6192.5425 296.5466 PRESSURE: 1261200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1261200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1261200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1261200 0 0 0 0 0 0 0 0 0 TIMING: 1261200 CPU: 5048.65, 0.00394848/step Wall: 5048.65, 0.00394848/step, 1.35872 hours remaining, 113.675781 MB of memory in use. ENERGY: 1261200 645.5980 1827.5336 1992.4056 104.5052 0.1034 -1053.7432 0.0000 0.0000 2730.0586 6246.4612 301.5426 3516.4026 6278.8173 299.3414 PRESSURE: 1261400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1261400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1261400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1261400 0 0 0 0 0 0 0 0 0 TIMING: 1261400 CPU: 5049.43, 0.00394709/step Wall: 5049.43, 0.00394709/step, 1.35802 hours remaining, 113.675781 MB of memory in use. ENERGY: 1261400 649.2371 1837.9282 1951.6594 104.1728 0.9859 -1073.6566 0.0000 0.0000 2734.2076 6204.5343 302.0008 3470.3267 6237.0046 300.8868 PRESSURE: 1261600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1261600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1261600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1261600 0 0 0 0 0 0 0 0 0 TIMING: 1261600 CPU: 5050.23, 0.00395009/step Wall: 5050.23, 0.00395009/step, 1.35883 hours remaining, 113.675781 MB of memory in use. ENERGY: 1261600 675.6205 1872.0045 1932.7539 109.4433 2.0156 -1049.7197 0.0000 0.0000 2685.4958 6227.6139 296.6205 3542.1181 6259.2789 300.3129 PRESSURE: 1261800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1261800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1261800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1261800 0 0 0 0 0 0 0 0 0 TIMING: 1261800 CPU: 5051.01, 0.00394982/step Wall: 5051.01, 0.00394982/step, 1.35852 hours remaining, 113.675781 MB of memory in use. ENERGY: 1261800 658.9028 1851.4253 1964.2891 113.3525 2.2283 -1088.8944 0.0000 0.0000 2740.3651 6241.6688 302.6810 3501.3037 6275.7128 299.8975 PRESSURE: 1262000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1262000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1262000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1262000 0 0 0 0 0 0 0 0 0 TIMING: 1262000 CPU: 5051.8, 0.00394858/step Wall: 5051.8, 0.00394858/step, 1.35787 hours remaining, 113.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1262000 674.7588 1877.4870 1953.6749 112.0858 2.1470 -1103.5566 0.0000 0.0000 2689.1938 6205.7907 297.0289 3516.5969 6238.7228 299.9182 PRESSURE: 1262200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1262200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1262200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1262200 0 0 0 0 0 0 0 0 0 TIMING: 1262200 CPU: 5052.59, 0.00394717/step Wall: 5052.59, 0.00394717/step, 1.35717 hours remaining, 113.675781 MB of memory in use. ENERGY: 1262200 626.3430 1853.8980 1960.2925 118.5055 1.3480 -1084.6200 0.0000 0.0000 2771.6857 6247.4526 306.1404 3475.7669 6286.7480 299.6073 PRESSURE: 1262400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1262400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1262400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1262400 0 0 0 0 0 0 0 0 0 TIMING: 1262400 CPU: 5053.38, 0.00394604/step Wall: 5053.38, 0.00394604/step, 1.35656 hours remaining, 113.675781 MB of memory in use. ENERGY: 1262400 646.6593 1881.5166 1948.4495 111.7284 1.4748 -1082.9525 0.0000 0.0000 2719.7817 6226.6578 300.4075 3506.8761 6258.2833 302.0319 PRESSURE: 1262600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1262600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1262600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1262600 0 0 0 0 0 0 0 0 0 TIMING: 1262600 CPU: 5054.17, 0.00394897/step Wall: 5054.17, 0.00394897/step, 1.35735 hours remaining, 113.675781 MB of memory in use. ENERGY: 1262600 667.5021 1886.1327 1973.4559 106.0547 1.4325 -1115.1523 0.0000 0.0000 2694.6960 6214.1216 297.6367 3519.4255 6247.1813 298.0046 PRESSURE: 1262800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1262800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1262800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1262800 0 0 0 0 0 0 0 0 0 TIMING: 1262800 CPU: 5054.96, 0.00394789/step Wall: 5054.96, 0.00394789/step, 1.35676 hours remaining, 113.675781 MB of memory in use. ENERGY: 1262800 661.5848 1848.2082 1975.6456 106.9310 2.5035 -1102.4323 0.0000 0.0000 2666.8993 6159.3401 294.5665 3492.4408 6194.2337 297.1674 PRESSURE: 1263000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1263000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1263000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1263000 0 0 0 0 0 0 0 0 0 TIMING: 1263000 CPU: 5055.75, 0.00394815/step Wall: 5055.75, 0.00394815/step, 1.35663 hours remaining, 113.675781 MB of memory in use. ENERGY: 1263000 623.2058 1850.9196 1970.0632 112.5743 2.7784 -1073.9575 0.0000 0.0000 2672.0641 6157.6479 295.1369 3485.5838 6190.6662 296.0539 PRESSURE: 1263200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1263200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1263200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1263200 0 0 0 0 0 0 0 0 0 TIMING: 1263200 CPU: 5056.54, 0.00394511/step Wall: 5056.54, 0.00394511/step, 1.35536 hours remaining, 113.675781 MB of memory in use. ENERGY: 1263200 649.5229 1821.7695 1933.4520 121.8660 2.9332 -1080.3496 0.0000 0.0000 2684.2829 6133.4770 296.4865 3449.1941 6167.5296 296.8421 PRESSURE: 1263400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1263400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1263400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1263400 0 0 0 0 0 0 0 0 0 TIMING: 1263400 CPU: 5057.33, 0.00395135/step Wall: 5057.33, 0.00395135/step, 1.35729 hours remaining, 113.675781 MB of memory in use. ENERGY: 1263400 649.2446 1859.9192 1951.5520 108.8781 1.7816 -1108.6441 0.0000 0.0000 2712.7081 6175.4397 299.6262 3462.7316 6208.8338 297.0800 PRESSURE: 1263600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1263600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1263600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1263600 0 0 0 0 0 0 0 0 0 TIMING: 1263600 CPU: 5058.12, 0.00395004/step Wall: 5058.12, 0.00395004/step, 1.35662 hours remaining, 113.675781 MB of memory in use. ENERGY: 1263600 662.9669 1918.6320 1963.6262 115.6470 2.5466 -1108.0197 0.0000 0.0000 2700.8310 6256.2299 298.3143 3555.3989 6286.6563 299.9159 PRESSURE: 1263800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1263800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1263800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1263800 0 0 0 0 0 0 0 0 0 TIMING: 1263800 CPU: 5058.91, 0.00396351/step Wall: 5058.91, 0.00396351/step, 1.36103 hours remaining, 113.675781 MB of memory in use. ENERGY: 1263800 670.2143 1849.4351 1996.7463 110.8112 2.9481 -1105.5997 0.0000 0.0000 2691.9211 6216.4762 297.3302 3524.5552 6248.3914 301.0916 PRESSURE: 1264000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1264000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1264000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1264000 0 0 0 0 0 0 0 0 0 TIMING: 1264000 CPU: 5059.7, 0.00394966/step Wall: 5059.7, 0.00394966/step, 1.35605 hours remaining, 113.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1264000 688.2298 1862.0253 1963.2394 106.5455 2.1829 -1084.4178 0.0000 0.0000 2678.7418 6216.5468 295.8745 3537.8050 6247.5756 299.6842 PRESSURE: 1264200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1264200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1264200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1264200 0 0 0 0 0 0 0 0 0 TIMING: 1264200 CPU: 5060.49, 0.00394449/step Wall: 5060.49, 0.00394449/step, 1.35406 hours remaining, 113.699219 MB of memory in use. ENERGY: 1264200 680.6224 1844.8957 1961.7515 108.6546 1.9420 -1103.8862 0.0000 0.0000 2711.2145 6205.1945 299.4612 3493.9800 6237.5673 300.2444 LDB: ============= START OF LOAD BALANCING ============== 5063.45 LDB: ============== END OF LOAD BALANCING =============== 5063.45 LDB: =============== DONE WITH MIGRATION ================ 5063.45 LDB: ============= START OF LOAD BALANCING ============== 5063.85 LDB: ============== END OF LOAD BALANCING =============== 5063.85 LDB: =============== DONE WITH MIGRATION ================ 5063.85 PRESSURE: 1264400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1264400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1264400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1264400 0 0 0 0 0 0 0 0 0 TIMING: 1264400 CPU: 5061.28, 0.00395294/step Wall: 5061.28, 0.00395294/step, 1.35674 hours remaining, 113.699219 MB of memory in use. ENERGY: 1264400 650.2982 1863.8002 1947.6509 97.4188 0.9128 -1086.3502 0.0000 0.0000 2735.5977 6209.3283 302.1544 3473.7307 6241.9430 300.9982 PRESSURE: 1264600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1264600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1264600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1264600 0 0 0 0 0 0 0 0 0 TIMING: 1264600 CPU: 5062.07, 0.00394643/step Wall: 5062.07, 0.00394643/step, 1.35428 hours remaining, 113.699219 MB of memory in use. ENERGY: 1264600 649.9079 1836.6432 1950.5340 102.5433 1.4069 -1091.1238 0.0000 0.0000 2785.2308 6235.1423 307.6365 3449.9116 6269.0065 300.8474 PRESSURE: 1264800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1264800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1264800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1264800 0 0 0 0 0 0 0 0 0 TIMING: 1264800 CPU: 5062.86, 0.00394645/step Wall: 5062.86, 0.00394645/step, 1.35407 hours remaining, 113.699219 MB of memory in use. ENERGY: 1264800 672.2924 1864.9157 1949.4272 112.6227 1.4227 -1116.5523 0.0000 0.0000 2743.5944 6227.7227 303.0376 3484.1284 6262.2894 301.3714 PRESSURE: 1265000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1265000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1265000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1265000 0 0 0 0 0 0 0 0 0 TIMING: 1265000 CPU: 5063.65, 0.00394772/step Wall: 5063.65, 0.00394772/step, 1.35429 hours remaining, 113.699219 MB of memory in use. ENERGY: 1265000 664.6542 1856.6787 1971.8806 110.3793 3.0071 -1072.5961 0.0000 0.0000 2704.5401 6238.5438 298.7240 3534.0038 6268.4843 303.2976 PRESSURE: 1265200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1265200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1265200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1265200 0 0 0 0 0 0 0 0 0 TIMING: 1265200 CPU: 5064.44, 0.00394341/step Wall: 5064.44, 0.00394341/step, 1.35259 hours remaining, 113.699219 MB of memory in use. ENERGY: 1265200 654.0778 1869.8355 1982.5956 117.8398 2.8472 -1087.6629 0.0000 0.0000 2754.4086 6293.9417 304.2321 3539.5331 6329.7875 302.6186 PRESSURE: 1265400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1265400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1265400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1265400 0 0 0 0 0 0 0 0 0 TIMING: 1265400 CPU: 5065.23, 0.00394787/step Wall: 5065.23, 0.00394787/step, 1.3539 hours remaining, 113.703125 MB of memory in use. ENERGY: 1265400 653.5543 1848.4429 1970.8951 124.9968 2.0797 -1086.9276 0.0000 0.0000 2797.5554 6310.5965 308.9978 3513.0411 6344.3910 306.7303 PRESSURE: 1265600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1265600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1265600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1265600 0 0 0 0 0 0 0 0 0 TIMING: 1265600 CPU: 5066.02, 0.00394701/step Wall: 5066.02, 0.00394701/step, 1.35339 hours remaining, 113.703125 MB of memory in use. ENERGY: 1265600 674.2804 1804.3395 1980.4993 115.2515 1.8925 -1070.9875 0.0000 0.0000 2752.6555 6257.9311 304.0385 3505.2757 6293.3755 306.2899 PRESSURE: 1265800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1265800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1265800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1265800 0 0 0 0 0 0 0 0 0 TIMING: 1265800 CPU: 5066.81, 0.00394657/step Wall: 5066.81, 0.00394657/step, 1.35302 hours remaining, 113.703125 MB of memory in use. ENERGY: 1265800 671.1113 1831.9442 1959.3802 101.5611 2.1258 -1081.0552 0.0000 0.0000 2744.6743 6229.7418 303.1569 3485.0675 6265.4670 300.9103 PRESSURE: 1266000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1266000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1266000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1266000 0 0 0 0 0 0 0 0 0 TIMING: 1266000 CPU: 5067.6, 0.00394498/step Wall: 5067.6, 0.00394498/step, 1.35225 hours remaining, 113.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1266000 690.3583 1832.9090 1964.3931 106.5555 2.5884 -1044.4101 0.0000 0.0000 2674.9589 6227.3531 295.4567 3552.3942 6260.0187 299.3502 PRESSURE: 1266200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1266200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1266200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1266200 0 0 0 0 0 0 0 0 0 TIMING: 1266200 CPU: 5068.39, 0.00394841/step Wall: 5068.39, 0.00394841/step, 1.35321 hours remaining, 113.703125 MB of memory in use. ENERGY: 1266200 709.2095 1841.2726 1977.1888 107.6669 2.3317 -1083.9500 0.0000 0.0000 2653.6156 6207.3352 293.0992 3553.7196 6237.4834 297.9003 PRESSURE: 1266400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1266400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1266400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1266400 0 0 0 0 0 0 0 0 0 TIMING: 1266400 CPU: 5069.18, 0.00394992/step Wall: 5069.18, 0.00394992/step, 1.35351 hours remaining, 113.703125 MB of memory in use. ENERGY: 1266400 686.9309 1820.9391 1945.3873 101.3111 3.5913 -1072.7657 0.0000 0.0000 2772.8288 6258.2229 306.2667 3485.3940 6291.1225 299.9585 PRESSURE: 1266600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1266600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1266600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1266600 0 0 0 0 0 0 0 0 0 TIMING: 1266600 CPU: 5069.97, 0.00394763/step Wall: 5069.97, 0.00394763/step, 1.3525 hours remaining, 113.703125 MB of memory in use. ENERGY: 1266600 668.1583 1882.7794 1955.8962 107.2113 4.0538 -1075.5485 0.0000 0.0000 2689.4897 6232.0402 297.0616 3542.5504 6263.7352 301.0240 PRESSURE: 1266800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1266800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1266800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1266800 0 0 0 0 0 0 0 0 0 TIMING: 1266800 CPU: 5070.76, 0.00394748/step Wall: 5070.76, 0.00394748/step, 1.35223 hours remaining, 113.703125 MB of memory in use. ENERGY: 1266800 669.7396 1825.2864 1980.4297 101.9363 3.1676 -1089.0192 0.0000 0.0000 2656.8502 6148.3906 293.4565 3491.5404 6181.1647 297.7650 PRESSURE: 1267000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1267000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1267000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1267000 0 0 0 0 0 0 0 0 0 TIMING: 1267000 CPU: 5071.55, 0.00394454/step Wall: 5071.55, 0.00394454/step, 1.35101 hours remaining, 113.703125 MB of memory in use. ENERGY: 1267000 659.3093 1838.5372 1976.2673 101.4666 2.9920 -1091.1006 0.0000 0.0000 2681.4518 6168.9238 296.1738 3487.4719 6200.1878 296.0237 PRESSURE: 1267200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1267200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1267200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1267200 0 0 0 0 0 0 0 0 0 TIMING: 1267200 CPU: 5072.33, 0.00394672/step Wall: 5072.33, 0.00394672/step, 1.35153 hours remaining, 113.703125 MB of memory in use. ENERGY: 1267200 656.5960 1846.6331 1997.1014 108.7992 2.5615 -1084.5560 0.0000 0.0000 2664.0239 6191.1591 294.2489 3527.1352 6222.5606 297.7987 PRESSURE: 1267400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1267400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1267400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1267400 0 0 0 0 0 0 0 0 0 TIMING: 1267400 CPU: 5073.12, 0.00394794/step Wall: 5073.12, 0.00394794/step, 1.35173 hours remaining, 113.703125 MB of memory in use. ENERGY: 1267400 657.2929 1789.0604 1998.4802 103.6615 2.9600 -1077.2662 0.0000 0.0000 2743.6164 6217.8053 303.0401 3474.1889 6250.4603 299.0297 PRESSURE: 1267600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1267600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1267600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1267600 0 0 0 0 0 0 0 0 0 TIMING: 1267600 CPU: 5073.91, 0.00394553/step Wall: 5073.91, 0.00394553/step, 1.35069 hours remaining, 113.703125 MB of memory in use. ENERGY: 1267600 650.3772 1776.5589 2004.0737 120.3324 3.0954 -1095.9425 0.0000 0.0000 2776.6680 6235.1631 306.6907 3458.4951 6268.6661 299.4977 PRESSURE: 1267800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1267800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1267800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1267800 0 0 0 0 0 0 0 0 0 TIMING: 1267800 CPU: 5074.7, 0.00394763/step Wall: 5074.7, 0.00394763/step, 1.35119 hours remaining, 113.703125 MB of memory in use. ENERGY: 1267800 682.4712 1800.0156 1992.4963 108.4592 3.5523 -1086.1726 0.0000 0.0000 2754.5668 6255.3888 304.2496 3500.8220 6288.8543 302.1233 PRESSURE: 1268000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1268000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1268000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1268000 0 0 0 0 0 0 0 0 0 TIMING: 1268000 CPU: 5075.49, 0.00394544/step Wall: 5075.49, 0.00394544/step, 1.35022 hours remaining, 113.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1268000 671.7560 1811.7560 1986.9075 102.7931 3.1746 -1033.4220 0.0000 0.0000 2690.4330 6233.3984 297.1658 3542.9653 6264.9429 300.3319 PRESSURE: 1268200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1268200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1268200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1268200 0 0 0 0 0 0 0 0 0 TIMING: 1268200 CPU: 5076.28, 0.00394924/step Wall: 5076.28, 0.00394924/step, 1.3513 hours remaining, 113.703125 MB of memory in use. ENERGY: 1268200 646.4307 1825.6807 1982.1614 110.9828 2.3861 -1049.8038 0.0000 0.0000 2691.5723 6209.4102 297.2917 3517.8380 6243.6471 297.8664 LDB: ============= START OF LOAD BALANCING ============== 5079.24 LDB: ============== END OF LOAD BALANCING =============== 5079.24 LDB: =============== DONE WITH MIGRATION ================ 5079.24 LDB: ============= START OF LOAD BALANCING ============== 5079.64 LDB: ============== END OF LOAD BALANCING =============== 5079.64 LDB: =============== DONE WITH MIGRATION ================ 5079.64 PRESSURE: 1268400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1268400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1268400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1268400 0 0 0 0 0 0 0 0 0 TIMING: 1268400 CPU: 5077.07, 0.00395198/step Wall: 5077.07, 0.00395198/step, 1.35202 hours remaining, 113.703125 MB of memory in use. ENERGY: 1268400 671.3780 1830.5724 2003.8412 111.3847 2.5309 -1068.3879 0.0000 0.0000 2689.5318 6240.8510 297.0663 3551.3192 6275.0406 296.8927 PRESSURE: 1268600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1268600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1268600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1268600 0 0 0 0 0 0 0 0 0 TIMING: 1268600 CPU: 5077.86, 0.00394714/step Wall: 5077.86, 0.00394714/step, 1.35014 hours remaining, 113.703125 MB of memory in use. ENERGY: 1268600 644.4538 1833.5761 1952.5516 103.3956 3.8174 -1046.6747 0.0000 0.0000 2760.2199 6251.3398 304.8740 3491.1198 6286.1987 302.1442 PRESSURE: 1268800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1268800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1268800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1268800 0 0 0 0 0 0 0 0 0 TIMING: 1268800 CPU: 5078.65, 0.00394816/step Wall: 5078.65, 0.00394816/step, 1.35027 hours remaining, 113.703125 MB of memory in use. ENERGY: 1268800 673.5355 1832.8690 1962.3334 107.7949 3.8084 -1046.6638 0.0000 0.0000 2681.7960 6215.4735 296.2118 3533.6775 6247.1672 300.2544 PRESSURE: 1269000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1269000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1269000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1269000 0 0 0 0 0 0 0 0 0 TIMING: 1269000 CPU: 5079.44, 0.00394553/step Wall: 5079.44, 0.00394553/step, 1.34915 hours remaining, 113.703125 MB of memory in use. ENERGY: 1269000 671.7511 1884.1862 1967.7911 118.8471 2.2181 -1057.2666 0.0000 0.0000 2716.7294 6304.2564 300.0703 3587.5270 6335.2349 301.4570 PRESSURE: 1269200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1269200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1269200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1269200 0 0 0 0 0 0 0 0 0 TIMING: 1269200 CPU: 5080.23, 0.00394882/step Wall: 5080.23, 0.00394882/step, 1.35006 hours remaining, 113.703125 MB of memory in use. ENERGY: 1269200 627.6739 1829.4679 1982.0751 102.2446 2.2521 -1074.8278 0.0000 0.0000 2745.6238 6214.5097 303.2618 3468.8859 6249.8730 302.7179 PRESSURE: 1269400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1269400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1269400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1269400 0 0 0 0 0 0 0 0 0 TIMING: 1269400 CPU: 5081.02, 0.00394878/step Wall: 5081.02, 0.00394878/step, 1.34983 hours remaining, 113.703125 MB of memory in use. ENERGY: 1269400 681.7961 1846.7924 1956.3102 105.6241 0.4305 -1089.0145 0.0000 0.0000 2756.0251 6257.9638 304.4107 3501.9387 6293.7199 300.2049 PRESSURE: 1269600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1269600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1269600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1269600 0 0 0 0 0 0 0 0 0 TIMING: 1269600 CPU: 5081.81, 0.00394721/step Wall: 5081.81, 0.00394721/step, 1.34907 hours remaining, 113.703125 MB of memory in use. ENERGY: 1269600 669.4373 1845.0518 1936.1747 121.6660 2.3176 -1079.5451 0.0000 0.0000 2774.0844 6269.1866 306.4053 3495.1023 6300.0302 302.8773 PRESSURE: 1269800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1269800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1269800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1269800 0 0 0 0 0 0 0 0 0 TIMING: 1269800 CPU: 5082.6, 0.00394367/step Wall: 5082.6, 0.00394367/step, 1.34764 hours remaining, 113.703125 MB of memory in use. ENERGY: 1269800 673.7598 1873.0440 2000.3009 109.4215 1.4767 -1096.7474 0.0000 0.0000 2697.9124 6259.1681 297.9919 3561.2556 6295.2499 303.9096 PRESSURE: 1270000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1270000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1270000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1270000 0 0 0 0 0 0 0 0 0 TIMING: 1270000 CPU: 5083.39, 0.00396616/step Wall: 5083.39, 0.00396616/step, 1.3551 hours remaining, 113.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1270000 669.1270 1848.9850 1967.8312 110.3601 2.3738 -1051.7551 0.0000 0.0000 2682.0077 6228.9296 296.2352 3546.9220 6261.0122 300.5131 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1270000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1270000 WRITING COORDINATES TO RESTART FILE AT STEP 1270000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1270000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1270200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1270200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1270200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1270200 0 0 0 0 0 0 0 0 0 TIMING: 1270200 CPU: 5085.01, 0.00811748/step Wall: 5085.01, 0.00811748/step, 2.77302 hours remaining, 113.800781 MB of memory in use. ENERGY: 1270200 659.2380 1840.2317 1991.3438 111.5130 1.7324 -1077.5119 0.0000 0.0000 2627.2985 6153.8454 290.1924 3526.5469 6186.6320 296.9801 PRESSURE: 1270400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1270400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1270400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1270400 0 0 0 0 0 0 0 0 0 TIMING: 1270400 CPU: 5085.81, 0.0039529/step Wall: 5085.81, 0.0039529/step, 1.35014 hours remaining, 113.800781 MB of memory in use. ENERGY: 1270400 662.0544 1833.1105 1972.7607 102.5595 2.1872 -1060.6638 0.0000 0.0000 2680.0550 6192.0635 296.0195 3512.0085 6221.8858 297.6116 PRESSURE: 1270600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1270600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1270600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1270600 0 0 0 0 0 0 0 0 0 TIMING: 1270600 CPU: 5086.59, 0.00394672/step Wall: 5086.59, 0.00394672/step, 1.3478 hours remaining, 113.800781 MB of memory in use. ENERGY: 1270600 614.0765 1864.0022 1979.6092 116.3247 4.5604 -1080.2359 0.0000 0.0000 2704.8893 6203.2265 298.7626 3498.3372 6234.5387 299.3726 PRESSURE: 1270800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1270800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1270800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1270800 0 0 0 0 0 0 0 0 0 TIMING: 1270800 CPU: 5087.38, 0.0039492/step Wall: 5087.38, 0.0039492/step, 1.34843 hours remaining, 113.800781 MB of memory in use. ENERGY: 1270800 652.0590 1844.5379 1974.6444 104.9992 2.1214 -1064.2479 0.0000 0.0000 2633.9595 6148.0735 290.9282 3514.1140 6181.0664 298.3258 PRESSURE: 1271000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1271000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1271000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1271000 0 0 0 0 0 0 0 0 0 TIMING: 1271000 CPU: 5088.17, 0.00394912/step Wall: 5088.17, 0.00394912/step, 1.34819 hours remaining, 113.800781 MB of memory in use. ENERGY: 1271000 663.1867 1824.2084 1945.2312 105.6929 2.4981 -1045.5559 0.0000 0.0000 2719.4353 6214.6967 300.3692 3495.2615 6245.1096 297.9364 PRESSURE: 1271200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1271200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1271200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1271200 0 0 0 0 0 0 0 0 0 TIMING: 1271200 CPU: 5088.96, 0.00394693/step Wall: 5088.96, 0.00394693/step, 1.34722 hours remaining, 113.800781 MB of memory in use. ENERGY: 1271200 689.7119 1844.1929 1958.9459 104.7565 2.6282 -1109.2552 0.0000 0.0000 2734.0746 6225.0548 301.9862 3490.9801 6258.4969 300.9750 PRESSURE: 1271400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1271400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1271400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1271400 0 0 0 0 0 0 0 0 0 TIMING: 1271400 CPU: 5089.75, 0.00394937/step Wall: 5089.75, 0.00394937/step, 1.34783 hours remaining, 113.800781 MB of memory in use. ENERGY: 1271400 657.0688 1816.6229 1958.2184 105.1009 2.9759 -1078.5868 0.0000 0.0000 2725.2539 6186.6540 301.0119 3461.4000 6223.4847 301.1276 PRESSURE: 1271600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1271600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1271600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1271600 0 0 0 0 0 0 0 0 0 TIMING: 1271600 CPU: 5090.54, 0.00394513/step Wall: 5090.54, 0.00394513/step, 1.34617 hours remaining, 113.800781 MB of memory in use. ENERGY: 1271600 675.3235 1895.3663 1947.9266 96.7798 2.5789 -1091.7139 0.0000 0.0000 2713.7376 6239.9988 299.7399 3526.2612 6273.0121 300.1504 PRESSURE: 1271800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1271800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1271800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1271800 0 0 0 0 0 0 0 0 0 TIMING: 1271800 CPU: 5091.33, 0.00394915/step Wall: 5091.33, 0.00394915/step, 1.34732 hours remaining, 113.800781 MB of memory in use. ENERGY: 1271800 673.1519 1811.9361 1971.7326 114.1696 1.7382 -1049.9061 0.0000 0.0000 2732.8469 6255.6692 301.8505 3522.8223 6288.0078 302.1448 PRESSURE: 1272000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1272000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1272000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1272000 0 0 0 0 0 0 0 0 0 TIMING: 1272000 CPU: 5092.12, 0.00394797/step Wall: 5092.12, 0.00394797/step, 1.3467 hours remaining, 113.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1272000 685.0360 1832.9534 1993.9817 105.2757 1.6056 -1087.3500 0.0000 0.0000 2716.6087 6248.1111 300.0570 3531.5025 6279.3206 300.8215 PRESSURE: 1272200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1272200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1272200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1272200 0 0 0 0 0 0 0 0 0 TIMING: 1272200 CPU: 5092.91, 0.00394774/step Wall: 5092.91, 0.00394774/step, 1.3464 hours remaining, 113.804688 MB of memory in use. ENERGY: 1272200 646.3794 1834.9394 1957.8117 119.8737 2.4389 -1087.3035 0.0000 0.0000 2729.4560 6203.5956 301.4760 3474.1396 6232.3167 300.0080 LDB: ============= START OF LOAD BALANCING ============== 5095.87 LDB: ============== END OF LOAD BALANCING =============== 5095.87 LDB: =============== DONE WITH MIGRATION ================ 5095.87 LDB: ============= START OF LOAD BALANCING ============== 5096.27 LDB: ============== END OF LOAD BALANCING =============== 5096.27 LDB: =============== DONE WITH MIGRATION ================ 5096.27 PRESSURE: 1272400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1272400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1272400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1272400 0 0 0 0 0 0 0 0 0 TIMING: 1272400 CPU: 5093.7, 0.00395264/step Wall: 5093.7, 0.00395264/step, 1.34785 hours remaining, 113.804688 MB of memory in use. ENERGY: 1272400 644.9930 1880.0694 1967.0322 117.2567 2.1487 -1105.9374 0.0000 0.0000 2689.9815 6195.5440 297.1159 3505.5626 6224.9188 299.1310 PRESSURE: 1272600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1272600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1272600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1272600 0 0 0 0 0 0 0 0 0 TIMING: 1272600 CPU: 5094.49, 0.00394493/step Wall: 5094.49, 0.00394493/step, 1.345 hours remaining, 113.804688 MB of memory in use. ENERGY: 1272600 666.0750 1855.0440 1973.9987 106.8606 2.5411 -1146.9502 0.0000 0.0000 2682.2656 6139.8347 296.2637 3457.5692 6173.7546 296.8184 PRESSURE: 1272800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1272800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1272800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1272800 0 0 0 0 0 0 0 0 0 TIMING: 1272800 CPU: 5095.28, 0.00394839/step Wall: 5095.28, 0.00394839/step, 1.34596 hours remaining, 113.804688 MB of memory in use. ENERGY: 1272800 655.7779 1849.6890 1953.0854 108.3962 2.2565 -1091.5813 0.0000 0.0000 2671.3548 6148.9785 295.0586 3477.6237 6181.5838 297.1524 PRESSURE: 1273000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1273000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1273000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1273000 0 0 0 0 0 0 0 0 0 TIMING: 1273000 CPU: 5096.07, 0.00394907/step Wall: 5096.07, 0.00394907/step, 1.34597 hours remaining, 113.894531 MB of memory in use. ENERGY: 1273000 638.1632 1852.7857 1953.9279 115.7026 1.6707 -1091.2868 0.0000 0.0000 2715.1613 6186.1247 299.8971 3470.9634 6218.8119 298.3706 PRESSURE: 1273200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1273200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1273200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1273200 0 0 0 0 0 0 0 0 0 TIMING: 1273200 CPU: 5096.86, 0.0039489/step Wall: 5096.86, 0.0039489/step, 1.3457 hours remaining, 113.894531 MB of memory in use. ENERGY: 1273200 640.9700 1889.1669 1948.5833 105.4174 2.6051 -1101.9655 0.0000 0.0000 2682.0189 6166.7961 296.2365 3484.7772 6197.1749 298.9154 PRESSURE: 1273400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1273400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1273400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1273400 0 0 0 0 0 0 0 0 0 TIMING: 1273400 CPU: 5097.65, 0.00394695/step Wall: 5097.65, 0.00394695/step, 1.34481 hours remaining, 113.894531 MB of memory in use. ENERGY: 1273400 644.8996 1885.2039 1964.8795 107.6046 2.3072 -1064.5141 0.0000 0.0000 2626.4941 6166.8747 290.1036 3540.3806 6199.3706 297.3166 PRESSURE: 1273600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1273600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1273600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1273600 0 0 0 0 0 0 0 0 0 TIMING: 1273600 CPU: 5098.44, 0.00394864/step Wall: 5098.44, 0.00394864/step, 1.34517 hours remaining, 113.894531 MB of memory in use. ENERGY: 1273600 659.5161 1809.7327 1941.8020 117.5208 3.4253 -1075.5491 0.0000 0.0000 2731.0730 6187.5207 301.6546 3456.4478 6221.3879 297.9386 PRESSURE: 1273800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1273800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1273800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1273800 0 0 0 0 0 0 0 0 0 TIMING: 1273800 CPU: 5099.23, 0.00395819/step Wall: 5099.23, 0.00395819/step, 1.3482 hours remaining, 113.894531 MB of memory in use. ENERGY: 1273800 662.1487 1936.2737 1953.6818 102.7364 3.1709 -1080.3641 0.0000 0.0000 2680.5747 6258.2221 296.0769 3577.6474 6288.8282 299.8223 PRESSURE: 1274000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1274000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1274000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1274000 0 0 0 0 0 0 0 0 0 TIMING: 1274000 CPU: 5100.02, 0.00395251/step Wall: 5100.02, 0.00395251/step, 1.34605 hours remaining, 113.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1274000 654.9808 1862.7013 1958.1823 116.3741 2.8973 -1050.0371 0.0000 0.0000 2698.2254 6243.3242 298.0265 3545.0988 6274.2167 301.2704 PRESSURE: 1274200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1274200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1274200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1274200 0 0 0 0 0 0 0 0 0 TIMING: 1274200 CPU: 5100.81, 0.00395235/step Wall: 5100.81, 0.00395235/step, 1.34577 hours remaining, 113.894531 MB of memory in use. ENERGY: 1274200 643.4789 1848.3240 1969.8465 100.3228 2.8233 -1060.2998 0.0000 0.0000 2710.1167 6214.6124 299.3399 3504.4957 6246.6921 301.9648 PRESSURE: 1274400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1274400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1274400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1274400 0 0 0 0 0 0 0 0 0 TIMING: 1274400 CPU: 5101.6, 0.0039458/step Wall: 5101.6, 0.0039458/step, 1.34333 hours remaining, 113.894531 MB of memory in use. ENERGY: 1274400 629.3136 1898.2826 1995.1515 108.6743 2.7411 -1099.9912 0.0000 0.0000 2668.3385 6202.5104 294.7254 3534.1719 6233.8809 299.5304 PRESSURE: 1274600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1274600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1274600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1274600 0 0 0 0 0 0 0 0 0 TIMING: 1274600 CPU: 5102.39, 0.00394966/step Wall: 5102.39, 0.00394966/step, 1.34442 hours remaining, 113.894531 MB of memory in use. ENERGY: 1274600 656.2924 1791.0069 1970.0616 100.8439 3.0631 -1084.1113 0.0000 0.0000 2767.4829 6204.6395 305.6762 3437.1566 6238.1826 298.4958 PRESSURE: 1274800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1274800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1274800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1274800 0 0 0 0 0 0 0 0 0 TIMING: 1274800 CPU: 5103.18, 0.00395014/step Wall: 5103.18, 0.00395014/step, 1.34436 hours remaining, 113.894531 MB of memory in use. ENERGY: 1274800 634.0075 1861.9567 1944.3708 108.1949 2.3444 -1090.7869 0.0000 0.0000 2680.6973 6140.7845 296.0905 3460.0873 6173.4267 297.2152 PRESSURE: 1275000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1275000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1275000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1275000 0 0 0 0 0 0 0 0 0 TIMING: 1275000 CPU: 5103.97, 0.00394886/step Wall: 5103.97, 0.00394886/step, 1.34371 hours remaining, 113.894531 MB of memory in use. ENERGY: 1275000 649.6948 1815.2582 1963.3253 109.0950 2.6703 -1068.1403 0.0000 0.0000 2661.6134 6133.5168 293.9826 3471.9034 6163.9702 296.3777 PRESSURE: 1275200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1275200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1275200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1275200 0 0 0 0 0 0 0 0 0 TIMING: 1275200 CPU: 5104.76, 0.00394831/step Wall: 5104.76, 0.00394831/step, 1.3433 hours remaining, 113.894531 MB of memory in use. ENERGY: 1275200 671.8713 1857.6994 1964.1773 104.6593 3.6347 -1116.8540 0.0000 0.0000 2649.5262 6134.7143 292.6476 3485.1881 6167.2962 296.9273 PRESSURE: 1275400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1275400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1275400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1275400 0 0 0 0 0 0 0 0 0 TIMING: 1275400 CPU: 5105.55, 0.00394479/step Wall: 5105.55, 0.00394479/step, 1.34189 hours remaining, 113.894531 MB of memory in use. ENERGY: 1275400 607.5200 1804.4460 1968.5801 108.6314 2.0666 -1057.8417 0.0000 0.0000 2681.8647 6115.2672 296.2194 3433.4025 6148.7878 294.9447 PRESSURE: 1275600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1275600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1275600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1275600 0 0 0 0 0 0 0 0 0 TIMING: 1275600 CPU: 5106.34, 0.00394778/step Wall: 5106.34, 0.00394778/step, 1.34268 hours remaining, 113.894531 MB of memory in use. ENERGY: 1275600 641.8505 1849.1359 1951.0807 103.1750 1.4078 -1100.7213 0.0000 0.0000 2680.9422 6126.8708 296.1175 3445.9286 6159.5237 295.0374 PRESSURE: 1275800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1275800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1275800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1275800 0 0 0 0 0 0 0 0 0 TIMING: 1275800 CPU: 5107.13, 0.00394799/step Wall: 5107.13, 0.00394799/step, 1.34253 hours remaining, 113.894531 MB of memory in use. ENERGY: 1275800 666.8423 1835.6178 1978.8946 103.7557 1.8150 -1056.4958 0.0000 0.0000 2651.1608 6181.5904 292.8281 3530.4295 6212.4501 296.2071 PRESSURE: 1276000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1276000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1276000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1276000 0 0 0 0 0 0 0 0 0 TIMING: 1276000 CPU: 5107.92, 0.00394645/step Wall: 5107.92, 0.00394645/step, 1.34179 hours remaining, 113.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1276000 677.6807 1829.6940 1984.0897 111.5146 1.4346 -1097.0904 0.0000 0.0000 2706.1022 6213.4254 298.8965 3507.3232 6245.0083 297.9410 PRESSURE: 1276200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1276200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1276200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1276200 0 0 0 0 0 0 0 0 0 TIMING: 1276200 CPU: 5108.71, 0.00394692/step Wall: 5108.71, 0.00394692/step, 1.34173 hours remaining, 113.894531 MB of memory in use. ENERGY: 1276200 662.8043 1900.4774 1966.2731 102.8331 1.3251 -1086.2018 0.0000 0.0000 2645.8866 6193.3978 292.2455 3547.5112 6226.7576 298.3289 LDB: ============= START OF LOAD BALANCING ============== 5111.67 LDB: ============== END OF LOAD BALANCING =============== 5111.67 LDB: =============== DONE WITH MIGRATION ================ 5111.67 LDB: ============= START OF LOAD BALANCING ============== 5112.06 LDB: ============== END OF LOAD BALANCING =============== 5112.06 LDB: =============== DONE WITH MIGRATION ================ 5112.06 PRESSURE: 1276400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1276400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1276400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1276400 0 0 0 0 0 0 0 0 0 TIMING: 1276400 CPU: 5109.5, 0.00395221/step Wall: 5109.5, 0.00395221/step, 1.34331 hours remaining, 113.894531 MB of memory in use. ENERGY: 1276400 699.6439 1794.2839 1948.6071 100.4180 1.6578 -1057.1735 0.0000 0.0000 2701.2314 6188.6685 298.3585 3487.4372 6219.9656 297.3882 PRESSURE: 1276600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1276600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1276600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1276600 0 0 0 0 0 0 0 0 0 TIMING: 1276600 CPU: 5110.29, 0.00394851/step Wall: 5110.29, 0.00394851/step, 1.34184 hours remaining, 113.894531 MB of memory in use. ENERGY: 1276600 648.8374 1821.4310 1995.3884 109.7880 2.1520 -1102.0185 0.0000 0.0000 2706.2557 6181.8341 298.9135 3475.5784 6213.7606 298.2437 PRESSURE: 1276800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1276800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1276800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1276800 0 0 0 0 0 0 0 0 0 TIMING: 1276800 CPU: 5111.08, 0.00394976/step Wall: 5111.08, 0.00394976/step, 1.34204 hours remaining, 113.894531 MB of memory in use. ENERGY: 1276800 663.2087 1793.8328 1976.8953 100.8194 2.1466 -1076.6355 0.0000 0.0000 2682.8359 6143.1030 296.3267 3460.2671 6174.9073 295.2737 PRESSURE: 1277000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1277000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1277000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1277000 0 0 0 0 0 0 0 0 0 TIMING: 1277000 CPU: 5111.87, 0.00395045/step Wall: 5111.87, 0.00395045/step, 1.34206 hours remaining, 113.894531 MB of memory in use. ENERGY: 1277000 641.2405 1831.1454 1959.4260 110.4790 1.6889 -1089.4467 0.0000 0.0000 2608.8521 6063.3851 288.1550 3454.5331 6093.5450 293.7678 PRESSURE: 1277200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1277200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1277200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1277200 0 0 0 0 0 0 0 0 0 TIMING: 1277200 CPU: 5112.66, 0.00394552/step Wall: 5112.66, 0.00394552/step, 1.34016 hours remaining, 113.894531 MB of memory in use. ENERGY: 1277200 664.8219 1797.7799 1946.7405 109.7029 2.8111 -1095.8248 0.0000 0.0000 2689.7232 6115.7548 297.0874 3426.0316 6148.1694 291.8685 PRESSURE: 1277400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1277400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1277400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1277400 0 0 0 0 0 0 0 0 0 TIMING: 1277400 CPU: 5113.45, 0.00394974/step Wall: 5113.45, 0.00394974/step, 1.34137 hours remaining, 113.894531 MB of memory in use. ENERGY: 1277400 661.1702 1769.2795 2002.3229 122.7433 2.5352 -1090.5234 0.0000 0.0000 2666.7228 6134.2505 294.5470 3467.5277 6165.3969 294.2205 PRESSURE: 1277600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1277600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1277600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1277600 0 0 0 0 0 0 0 0 0 TIMING: 1277600 CPU: 5114.24, 0.00395136/step Wall: 5114.24, 0.00395136/step, 1.34171 hours remaining, 113.894531 MB of memory in use. ENERGY: 1277600 619.2913 1815.3564 1961.5763 110.1220 1.9156 -1082.9173 0.0000 0.0000 2713.8944 6139.2387 299.7572 3425.3443 6171.8217 295.2889 PRESSURE: 1277800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1277800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1277800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1277800 0 0 0 0 0 0 0 0 0 TIMING: 1277800 CPU: 5115.03, 0.00395001/step Wall: 5115.03, 0.00395001/step, 1.34103 hours remaining, 113.894531 MB of memory in use. ENERGY: 1277800 666.1341 1837.9756 1979.6832 119.6111 1.8238 -1120.5922 0.0000 0.0000 2679.1459 6163.7815 295.9191 3484.6355 6196.3068 296.0424 PRESSURE: 1278000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1278000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1278000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1278000 0 0 0 0 0 0 0 0 0 TIMING: 1278000 CPU: 5115.82, 0.0039484/step Wall: 5115.82, 0.0039484/step, 1.34026 hours remaining, 113.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1278000 662.0302 1847.1124 1982.3103 111.5322 1.8337 -1133.0462 0.0000 0.0000 2675.1619 6146.9344 295.4791 3471.7726 6176.6421 296.0812 PRESSURE: 1278200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1278200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1278200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1278200 0 0 0 0 0 0 0 0 0 TIMING: 1278200 CPU: 5116.61, 0.00394438/step Wall: 5116.61, 0.00394438/step, 1.33868 hours remaining, 113.894531 MB of memory in use. ENERGY: 1278200 661.5559 1834.0974 1974.2639 109.8636 2.2872 -1104.4358 0.0000 0.0000 2674.9948 6152.6270 295.4606 3477.6322 6185.0969 297.3060 PRESSURE: 1278400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1278400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1278400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1278400 0 0 0 0 0 0 0 0 0 TIMING: 1278400 CPU: 5117.4, 0.00394863/step Wall: 5117.4, 0.00394863/step, 1.3399 hours remaining, 113.894531 MB of memory in use. ENERGY: 1278400 651.7093 1816.1190 1953.9770 104.3567 2.8138 -1069.2342 0.0000 0.0000 2677.9934 6137.7350 295.7918 3459.7416 6174.7242 295.9909 PRESSURE: 1278600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1278600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1278600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1278600 0 0 0 0 0 0 0 0 0 TIMING: 1278600 CPU: 5118.19, 0.00394921/step Wall: 5118.19, 0.00394921/step, 1.33988 hours remaining, 113.894531 MB of memory in use. ENERGY: 1278600 620.7668 1864.8634 1960.5787 91.9985 2.5950 -1060.5607 0.0000 0.0000 2696.2113 6176.4531 297.8040 3480.2418 6211.2730 296.2566 PRESSURE: 1278800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1278800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1278800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1278800 0 0 0 0 0 0 0 0 0 TIMING: 1278800 CPU: 5118.97, 0.00394822/step Wall: 5118.97, 0.00394822/step, 1.33932 hours remaining, 113.894531 MB of memory in use. ENERGY: 1278800 671.5729 1854.7305 1929.0278 105.4499 1.4998 -1054.4581 0.0000 0.0000 2704.6989 6212.5217 298.7415 3507.8228 6246.4378 297.8102 PRESSURE: 1279000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1279000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1279000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1279000 0 0 0 0 0 0 0 0 0 TIMING: 1279000 CPU: 5119.76, 0.00394991/step Wall: 5119.76, 0.00394991/step, 1.33968 hours remaining, 113.894531 MB of memory in use. ENERGY: 1279000 656.1529 1838.5727 1985.4797 117.3977 4.6987 -1054.0521 0.0000 0.0000 2690.2480 6238.4976 297.1454 3548.2496 6269.7392 300.6173 PRESSURE: 1279200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1279200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1279200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1279200 0 0 0 0 0 0 0 0 0 TIMING: 1279200 CPU: 5120.55, 0.00394636/step Wall: 5120.55, 0.00394636/step, 1.33825 hours remaining, 113.894531 MB of memory in use. ENERGY: 1279200 651.5231 1884.4418 1986.7969 102.4682 3.1531 -1076.8025 0.0000 0.0000 2712.3438 6263.9245 299.5859 3551.5806 6296.4758 299.4172 PRESSURE: 1279400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1279400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1279400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1279400 0 0 0 0 0 0 0 0 0 TIMING: 1279400 CPU: 5121.34, 0.00395057/step Wall: 5121.34, 0.00395057/step, 1.33946 hours remaining, 113.894531 MB of memory in use. ENERGY: 1279400 662.5371 1896.8547 1982.7004 107.4720 2.1502 -1054.8145 0.0000 0.0000 2694.9342 6291.8340 297.6630 3596.8998 6320.5282 301.1486 PRESSURE: 1279600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1279600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1279600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1279600 0 0 0 0 0 0 0 0 0 TIMING: 1279600 CPU: 5122.13, 0.00394966/step Wall: 5122.13, 0.00394966/step, 1.33894 hours remaining, 113.894531 MB of memory in use. ENERGY: 1279600 647.6517 1849.5861 1983.4383 108.4548 2.2177 -1037.0087 0.0000 0.0000 2792.0485 6346.3883 308.3895 3554.3398 6381.6146 303.4094 PRESSURE: 1279800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1279800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1279800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1279800 0 0 0 0 0 0 0 0 0 TIMING: 1279800 CPU: 5122.92, 0.00394985/step Wall: 5122.92, 0.00394985/step, 1.33878 hours remaining, 113.894531 MB of memory in use. ENERGY: 1279800 661.0527 1863.5435 1993.5019 124.2421 2.3644 -1049.5087 0.0000 0.0000 2789.1670 6384.3629 308.0713 3595.1959 6420.0162 307.1084 PRESSURE: 1280000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1280000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1280000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1280000 0 0 0 0 0 0 0 0 0 TIMING: 1280000 CPU: 5123.71, 0.00394746/step Wall: 5123.71, 0.00394746/step, 1.33775 hours remaining, 113.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1280000 670.1598 1874.8167 1996.9132 103.9800 0.4573 -1064.6174 0.0000 0.0000 2767.3702 6349.0799 305.6637 3581.7096 6382.7929 304.9599 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1280000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1280000 WRITING COORDINATES TO RESTART FILE AT STEP 1280000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1280000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1280200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1280200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1280200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1280200 0 0 0 0 0 0 0 0 0 TIMING: 1280200 CPU: 5124.55, 0.00418398/step Wall: 5124.55, 0.00418399/step, 1.41768 hours remaining, 113.992188 MB of memory in use. ENERGY: 1280200 682.3770 1872.9184 1953.1652 108.5865 1.8278 -1054.3602 0.0000 0.0000 2724.6361 6289.1508 300.9437 3564.5146 6322.5341 304.3681 LDB: ============= START OF LOAD BALANCING ============== 5127.51 LDB: ============== END OF LOAD BALANCING =============== 5127.51 LDB: =============== DONE WITH MIGRATION ================ 5127.51 LDB: ============= START OF LOAD BALANCING ============== 5127.91 LDB: ============== END OF LOAD BALANCING =============== 5127.91 LDB: =============== DONE WITH MIGRATION ================ 5127.91 PRESSURE: 1280400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1280400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1280400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1280400 0 0 0 0 0 0 0 0 0 TIMING: 1280400 CPU: 5125.34, 0.00395522/step Wall: 5125.34, 0.00395522/step, 1.33994 hours remaining, 113.992188 MB of memory in use. ENERGY: 1280400 645.4152 1822.2403 1985.9285 97.9568 3.7084 -1064.4514 0.0000 0.0000 2773.3543 6264.1522 306.3247 3490.7979 6299.2738 302.9803 PRESSURE: 1280600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1280600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1280600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1280600 0 0 0 0 0 0 0 0 0 TIMING: 1280600 CPU: 5126.13, 0.00395159/step Wall: 5126.13, 0.00395159/step, 1.33849 hours remaining, 113.992188 MB of memory in use. ENERGY: 1280600 660.2417 1852.7167 1984.2071 96.4275 1.4273 -1043.0588 0.0000 0.0000 2734.1149 6286.0763 301.9906 3551.9614 6319.3043 304.0745 PRESSURE: 1280800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1280800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1280800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1280800 0 0 0 0 0 0 0 0 0 TIMING: 1280800 CPU: 5126.92, 0.00395161/step Wall: 5126.92, 0.00395161/step, 1.33828 hours remaining, 113.992188 MB of memory in use. ENERGY: 1280800 637.9208 1849.3981 1960.9753 100.0188 0.5934 -1077.1255 0.0000 0.0000 2741.9737 6213.7546 302.8586 3471.7808 6247.4227 299.8904 PRESSURE: 1281000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1281000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1281000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1281000 0 0 0 0 0 0 0 0 0 TIMING: 1281000 CPU: 5127.71, 0.00394713/step Wall: 5127.71, 0.00394713/step, 1.33654 hours remaining, 113.992188 MB of memory in use. ENERGY: 1281000 671.0169 1894.1437 1937.6282 102.8486 2.4163 -1066.2458 0.0000 0.0000 2656.1871 6197.9950 293.3833 3541.8079 6229.3812 298.6183 PRESSURE: 1281200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1281200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1281200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1281200 0 0 0 0 0 0 0 0 0 TIMING: 1281200 CPU: 5128.5, 0.00395216/step Wall: 5128.5, 0.00395216/step, 1.33803 hours remaining, 113.992188 MB of memory in use. ENERGY: 1281200 652.2614 1838.2431 1969.4579 102.6453 2.2858 -1060.8117 0.0000 0.0000 2710.0224 6214.1040 299.3295 3504.0817 6250.9317 297.3418 PRESSURE: 1281400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1281400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1281400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1281400 0 0 0 0 0 0 0 0 0 TIMING: 1281400 CPU: 5129.29, 0.00395181/step Wall: 5129.29, 0.00395181/step, 1.33769 hours remaining, 113.992188 MB of memory in use. ENERGY: 1281400 667.3743 1887.9708 1961.5704 113.6503 3.5668 -1081.3479 0.0000 0.0000 2638.8118 6191.5965 291.4641 3552.7848 6222.8269 295.9879 PRESSURE: 1281600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1281600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1281600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1281600 0 0 0 0 0 0 0 0 0 TIMING: 1281600 CPU: 5130.08, 0.00395162/step Wall: 5130.08, 0.00395162/step, 1.3374 hours remaining, 113.992188 MB of memory in use. ENERGY: 1281600 650.6148 1824.0800 1965.3253 107.1607 3.9160 -1070.6025 0.0000 0.0000 2766.2650 6246.7593 305.5417 3480.4943 6281.2250 300.2758 PRESSURE: 1281800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1281800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1281800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1281800 0 0 0 0 0 0 0 0 0 TIMING: 1281800 CPU: 5130.87, 0.0039503/step Wall: 5130.87, 0.0039503/step, 1.33674 hours remaining, 113.992188 MB of memory in use. ENERGY: 1281800 668.5943 1850.6533 1987.5340 91.4573 3.1509 -1094.0237 0.0000 0.0000 2771.2043 6278.5704 306.0872 3507.3661 6314.2137 302.6338 PRESSURE: 1282000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1282000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1282000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1282000 0 0 0 0 0 0 0 0 0 TIMING: 1282000 CPU: 5131.66, 0.00394764/step Wall: 5131.66, 0.00394764/step, 1.33562 hours remaining, 113.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1282000 685.0698 1889.3223 1970.4192 100.7763 3.2319 -1079.9177 0.0000 0.0000 2742.1094 6311.0112 302.8736 3568.9019 6343.6058 303.3635 PRESSURE: 1282200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1282200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1282200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1282200 0 0 0 0 0 0 0 0 0 TIMING: 1282200 CPU: 5132.45, 0.00395223/step Wall: 5132.45, 0.00395223/step, 1.33695 hours remaining, 113.992188 MB of memory in use. ENERGY: 1282200 645.7798 1875.6415 1986.3024 107.1967 2.1838 -1118.0892 0.0000 0.0000 2752.1022 6251.1172 303.9774 3499.0150 6286.6648 303.8329 PRESSURE: 1282400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1282400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1282400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1282400 0 0 0 0 0 0 0 0 0 TIMING: 1282400 CPU: 5133.24, 0.00395068/step Wall: 5133.24, 0.00395068/step, 1.33621 hours remaining, 113.992188 MB of memory in use. ENERGY: 1282400 702.2782 1805.2611 1988.0405 103.2987 2.3022 -1108.4081 0.0000 0.0000 2763.1251 6255.8977 305.1949 3492.7726 6293.9378 302.1571 PRESSURE: 1282600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1282600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1282600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1282600 0 0 0 0 0 0 0 0 0 TIMING: 1282600 CPU: 5134.03, 0.00395079/step Wall: 5134.03, 0.00395079/step, 1.33603 hours remaining, 113.992188 MB of memory in use. ENERGY: 1282600 662.0596 1886.8566 1970.2031 106.7396 2.4423 -1111.1949 0.0000 0.0000 2698.1793 6215.2856 298.0214 3517.1063 6248.4164 301.0525 PRESSURE: 1282800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1282800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1282800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1282800 0 0 0 0 0 0 0 0 0 TIMING: 1282800 CPU: 5134.82, 0.00395089/step Wall: 5134.82, 0.00395089/step, 1.33584 hours remaining, 113.992188 MB of memory in use. ENERGY: 1282800 685.1835 1910.9884 1963.6509 98.0201 2.2407 -1113.4042 0.0000 0.0000 2683.2464 6229.9260 296.3720 3546.6796 6261.8554 299.7948 PRESSURE: 1283000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1283000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1283000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1283000 0 0 0 0 0 0 0 0 0 TIMING: 1283000 CPU: 5135.61, 0.00394635/step Wall: 5135.61, 0.00394635/step, 1.33409 hours remaining, 113.996094 MB of memory in use. ENERGY: 1283000 648.5835 1860.5037 1988.0373 111.6901 0.8304 -1052.8822 0.0000 0.0000 2689.5929 6246.3558 297.0730 3556.7629 6279.4932 300.5795 PRESSURE: 1283200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1283200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1283200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1283200 0 0 0 0 0 0 0 0 0 TIMING: 1283200 CPU: 5136.4, 0.00395001/step Wall: 5136.4, 0.00395001/step, 1.3351 hours remaining, 114.003906 MB of memory in use. ENERGY: 1283200 651.8242 1824.2621 1989.8801 99.5442 1.7040 -1077.3553 0.0000 0.0000 2689.5519 6179.4113 297.0685 3489.8594 6209.4361 299.4296 PRESSURE: 1283400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1283400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1283400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1283400 0 0 0 0 0 0 0 0 0 TIMING: 1283400 CPU: 5137.19, 0.00394928/step Wall: 5137.19, 0.00394928/step, 1.33464 hours remaining, 114.003906 MB of memory in use. ENERGY: 1283400 637.3186 1840.5574 2008.5685 107.6829 1.7044 -1105.9897 0.0000 0.0000 2712.0549 6201.8971 299.5540 3489.8421 6234.6758 298.6426 PRESSURE: 1283600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1283600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1283600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1283600 0 0 0 0 0 0 0 0 0 TIMING: 1283600 CPU: 5137.98, 0.00394903/step Wall: 5137.98, 0.00394903/step, 1.33433 hours remaining, 114.007812 MB of memory in use. ENERGY: 1283600 677.1382 1838.4452 1978.5341 109.1967 1.4283 -1082.6613 0.0000 0.0000 2735.0324 6257.1136 302.0919 3522.0812 6291.1413 301.1462 PRESSURE: 1283800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1283800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1283800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1283800 0 0 0 0 0 0 0 0 0 TIMING: 1283800 CPU: 5138.77, 0.00395435/step Wall: 5138.77, 0.00395435/step, 1.33591 hours remaining, 114.007812 MB of memory in use. ENERGY: 1283800 693.3837 1780.4385 1967.1804 108.7338 0.2522 -1074.4564 0.0000 0.0000 2741.7348 6217.2671 302.8323 3475.5322 6251.4168 299.7369 PRESSURE: 1284000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1284000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1284000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1284000 0 0 0 0 0 0 0 0 0 TIMING: 1284000 CPU: 5139.56, 0.00394385/step Wall: 5139.56, 0.00394385/step, 1.33214 hours remaining, 114.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1284000 645.7222 1791.2190 1989.7568 112.4804 1.0595 -1053.4876 0.0000 0.0000 2739.1642 6225.9143 302.5483 3486.7501 6261.3287 298.1903 PRESSURE: 1284200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1284200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1284200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1284200 0 0 0 0 0 0 0 0 0 TIMING: 1284200 CPU: 5140.35, 0.00394724/step Wall: 5140.35, 0.00394724/step, 1.33307 hours remaining, 114.007812 MB of memory in use. ENERGY: 1284200 649.3078 1872.7494 1981.8491 107.0402 2.7485 -1052.7491 0.0000 0.0000 2711.5630 6272.5089 299.4997 3560.9459 6303.8379 301.3106 LDB: ============= START OF LOAD BALANCING ============== 5143.31 LDB: ============== END OF LOAD BALANCING =============== 5143.31 LDB: =============== DONE WITH MIGRATION ================ 5143.31 LDB: ============= START OF LOAD BALANCING ============== 5143.71 LDB: ============== END OF LOAD BALANCING =============== 5143.71 LDB: =============== DONE WITH MIGRATION ================ 5143.71 PRESSURE: 1284400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1284400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1284400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1284400 0 0 0 0 0 0 0 0 0 TIMING: 1284400 CPU: 5141.14, 0.00395302/step Wall: 5141.14, 0.00395302/step, 1.3348 hours remaining, 114.007812 MB of memory in use. ENERGY: 1284400 660.8104 1779.9161 1989.7834 109.2513 2.2844 -1049.8442 0.0000 0.0000 2756.3629 6248.5641 304.4480 3492.2012 6284.1289 302.1438 PRESSURE: 1284600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1284600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1284600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1284600 0 0 0 0 0 0 0 0 0 TIMING: 1284600 CPU: 5141.93, 0.00394761/step Wall: 5141.93, 0.00394761/step, 1.33276 hours remaining, 114.007812 MB of memory in use. ENERGY: 1284600 654.9740 1848.0134 1980.0248 106.2188 2.6952 -1064.4400 0.0000 0.0000 2766.3515 6293.8376 305.5512 3527.4862 6327.9858 301.3890 PRESSURE: 1284800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1284800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1284800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1284800 0 0 0 0 0 0 0 0 0 TIMING: 1284800 CPU: 5142.72, 0.00394547/step Wall: 5142.72, 0.00394547/step, 1.33181 hours remaining, 114.007812 MB of memory in use. ENERGY: 1284800 657.5486 1840.2397 1973.6213 94.3364 1.3227 -1066.9994 0.0000 0.0000 2702.6389 6202.7081 298.5140 3500.0692 6233.7550 300.8005 PRESSURE: 1285000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1285000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1285000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1285000 0 0 0 0 0 0 0 0 0 TIMING: 1285000 CPU: 5143.51, 0.00396003/step Wall: 5143.51, 0.00396003/step, 1.33651 hours remaining, 114.007812 MB of memory in use. ENERGY: 1285000 641.4913 1846.7249 1956.9084 118.4438 1.0093 -1053.5420 0.0000 0.0000 2722.7577 6233.7933 300.7362 3511.0356 6265.8226 298.4779 PRESSURE: 1285200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1285200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1285200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1285200 0 0 0 0 0 0 0 0 0 TIMING: 1285200 CPU: 5144.3, 0.0039516/step Wall: 5144.3, 0.0039516/step, 1.33345 hours remaining, 114.007812 MB of memory in use. ENERGY: 1285200 654.0723 1862.8660 1959.5730 106.3652 1.5801 -1066.9483 0.0000 0.0000 2732.9593 6250.4677 301.8630 3517.5083 6285.7989 300.6855 PRESSURE: 1285400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1285400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1285400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1285400 0 0 0 0 0 0 0 0 0 TIMING: 1285400 CPU: 5145.09, 0.00395019/step Wall: 5145.09, 0.00395019/step, 1.33275 hours remaining, 114.015625 MB of memory in use. ENERGY: 1285400 661.7263 1815.2682 1980.6508 97.0224 2.1074 -1084.1654 0.0000 0.0000 2694.3191 6166.9287 297.5950 3472.6096 6199.7156 298.6555 PRESSURE: 1285600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1285600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1285600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1285600 0 0 0 0 0 0 0 0 0 TIMING: 1285600 CPU: 5145.88, 0.0039485/step Wall: 5145.88, 0.00394849/step, 1.33196 hours remaining, 114.015625 MB of memory in use. ENERGY: 1285600 659.2516 1828.1114 1982.4093 100.8034 0.7936 -1094.9435 0.0000 0.0000 2688.4610 6164.8868 296.9480 3476.4258 6199.9317 296.8582 PRESSURE: 1285800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1285800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1285800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1285800 0 0 0 0 0 0 0 0 0 TIMING: 1285800 CPU: 5146.67, 0.00394634/step Wall: 5146.67, 0.00394635/step, 1.33101 hours remaining, 114.019531 MB of memory in use. ENERGY: 1285800 627.3758 1861.0312 1964.1844 106.3858 1.8762 -1082.0469 0.0000 0.0000 2729.1008 6207.9072 301.4368 3478.8065 6240.4074 297.2100 PRESSURE: 1286000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1286000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1286000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1286000 0 0 0 0 0 0 0 0 0 TIMING: 1286000 CPU: 5147.46, 0.00394925/step Wall: 5147.46, 0.00394925/step, 1.33177 hours remaining, 114.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1286000 648.6535 1822.5071 1977.3436 95.8135 2.2680 -1090.0549 0.0000 0.0000 2698.3053 6154.8361 298.0353 3456.5309 6190.0528 298.1537 PRESSURE: 1286200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1286200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1286200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1286200 0 0 0 0 0 0 0 0 0 TIMING: 1286200 CPU: 5148.25, 0.0039488/step Wall: 5148.25, 0.0039488/step, 1.33141 hours remaining, 114.019531 MB of memory in use. ENERGY: 1286200 660.2350 1839.0054 1965.7507 96.0254 2.6004 -1085.2574 0.0000 0.0000 2661.4202 6139.7798 293.9613 3478.3595 6172.4518 295.0600 PRESSURE: 1286400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1286400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1286400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1286400 0 0 0 0 0 0 0 0 0 TIMING: 1286400 CPU: 5149.04, 0.00394929/step Wall: 5149.04, 0.00394929/step, 1.33135 hours remaining, 114.019531 MB of memory in use. ENERGY: 1286400 656.9752 1808.3298 1969.8421 117.1599 1.5738 -1098.0936 0.0000 0.0000 2623.7038 6079.4909 289.7954 3455.7871 6112.1674 293.1076 PRESSURE: 1286600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1286600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1286600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1286600 0 0 0 0 0 0 0 0 0 TIMING: 1286600 CPU: 5149.83, 0.00394811/step Wall: 5149.83, 0.00394811/step, 1.33073 hours remaining, 114.019531 MB of memory in use. ENERGY: 1286600 637.3774 1830.7332 1978.1706 103.9627 1.1816 -1110.7886 0.0000 0.0000 2676.9443 6117.5812 295.6760 3440.6370 6149.2158 293.9269 PRESSURE: 1286800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1286800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1286800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1286800 0 0 0 0 0 0 0 0 0 TIMING: 1286800 CPU: 5150.62, 0.00394539/step Wall: 5150.62, 0.00394539/step, 1.3296 hours remaining, 114.019531 MB of memory in use. ENERGY: 1286800 642.0806 1792.8630 1986.5256 115.8329 0.9827 -1114.2001 0.0000 0.0000 2602.5187 6026.6033 287.4554 3424.0846 6058.2101 291.4585 PRESSURE: 1287000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1287000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1287000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1287000 0 0 0 0 0 0 0 0 0 TIMING: 1287000 CPU: 5151.41, 0.00394932/step Wall: 5151.41, 0.00394932/step, 1.3307 hours remaining, 114.019531 MB of memory in use. ENERGY: 1287000 654.0725 1825.0941 1976.9209 111.5042 1.8956 -1125.8243 0.0000 0.0000 2656.7228 6100.3857 293.4424 3443.6629 6131.1180 291.7391 PRESSURE: 1287200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1287200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1287200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1287200 0 0 0 0 0 0 0 0 0 TIMING: 1287200 CPU: 5152.2, 0.00394865/step Wall: 5152.2, 0.00394865/step, 1.33025 hours remaining, 114.019531 MB of memory in use. ENERGY: 1287200 672.7553 1825.7066 1953.8231 107.1207 3.5958 -1113.0428 0.0000 0.0000 2681.3608 6131.3195 296.1638 3449.9588 6165.6329 294.4460 PRESSURE: 1287400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1287400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1287400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1287400 0 0 0 0 0 0 0 0 0 TIMING: 1287400 CPU: 5152.99, 0.00394736/step Wall: 5152.99, 0.00394736/step, 1.3296 hours remaining, 114.019531 MB of memory in use. ENERGY: 1287400 620.0505 1816.4668 1969.8668 106.4105 1.9370 -1100.6916 0.0000 0.0000 2702.2276 6116.2676 298.4686 3414.0401 6147.8005 294.0920 PRESSURE: 1287600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1287600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1287600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1287600 0 0 0 0 0 0 0 0 0 TIMING: 1287600 CPU: 5153.78, 0.0039461/step Wall: 5153.78, 0.0039461/step, 1.32896 hours remaining, 114.019531 MB of memory in use. ENERGY: 1287600 650.7565 1816.2841 1960.4802 111.7547 2.0192 -1097.2198 0.0000 0.0000 2678.9507 6123.0257 295.8976 3444.0750 6156.1562 294.0388 PRESSURE: 1287800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1287800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1287800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1287800 0 0 0 0 0 0 0 0 0 TIMING: 1287800 CPU: 5154.57, 0.00394833/step Wall: 5154.57, 0.00394833/step, 1.32949 hours remaining, 114.019531 MB of memory in use. ENERGY: 1287800 666.5818 1778.1590 1961.8400 107.1904 1.5238 -1089.5751 0.0000 0.0000 2761.9384 6187.6583 305.0638 3425.7199 6225.0366 296.3864 PRESSURE: 1288000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1288000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1288000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1288000 0 0 0 0 0 0 0 0 0 TIMING: 1288000 CPU: 5155.36, 0.00394887/step Wall: 5155.36, 0.00394887/step, 1.32945 hours remaining, 114.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1288000 684.3248 1866.5701 1956.3246 108.6462 3.0162 -1110.5665 0.0000 0.0000 2721.3534 6229.6687 300.5811 3508.3154 6262.6061 300.4530 PRESSURE: 1288200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1288200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1288200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1288200 0 0 0 0 0 0 0 0 0 TIMING: 1288200 CPU: 5156.15, 0.00394976/step Wall: 5156.15, 0.00394976/step, 1.32953 hours remaining, 114.019531 MB of memory in use. ENERGY: 1288200 627.5396 1859.0631 1990.6459 115.8712 2.9779 -1066.5532 0.0000 0.0000 2631.3984 6160.9429 290.6453 3529.5445 6193.9709 299.3875 LDB: ============= START OF LOAD BALANCING ============== 5159.11 LDB: ============== END OF LOAD BALANCING =============== 5159.11 LDB: =============== DONE WITH MIGRATION ================ 5159.11 LDB: ============= START OF LOAD BALANCING ============== 5159.5 LDB: ============== END OF LOAD BALANCING =============== 5159.5 LDB: =============== DONE WITH MIGRATION ================ 5159.5 PRESSURE: 1288400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1288400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1288400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1288400 0 0 0 0 0 0 0 0 0 TIMING: 1288400 CPU: 5156.94, 0.00395146/step Wall: 5156.94, 0.00395146/step, 1.32989 hours remaining, 114.023438 MB of memory in use. ENERGY: 1288400 651.3708 1873.8818 1956.7251 110.5731 2.5129 -1064.8609 0.0000 0.0000 2675.3897 6205.5926 295.5042 3530.2029 6234.0618 297.8085 PRESSURE: 1288600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1288600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1288600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1288600 0 0 0 0 0 0 0 0 0 TIMING: 1288600 CPU: 5157.73, 0.00394553/step Wall: 5157.73, 0.00394553/step, 1.32767 hours remaining, 114.023438 MB of memory in use. ENERGY: 1288600 671.6000 1853.1162 1962.2335 112.8029 2.4940 -1103.4496 0.0000 0.0000 2745.7962 6244.5931 303.2808 3498.7969 6276.6912 301.1758 PRESSURE: 1288800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1288800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1288800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1288800 0 0 0 0 0 0 0 0 0 TIMING: 1288800 CPU: 5158.52, 0.00394783/step Wall: 5158.52, 0.00394783/step, 1.32822 hours remaining, 114.023438 MB of memory in use. ENERGY: 1288800 658.1602 1840.7509 1955.2206 114.5575 2.7529 -1112.8348 0.0000 0.0000 2756.5292 6215.1365 304.4663 3458.6073 6249.0283 300.4546 PRESSURE: 1289000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1289000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1289000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1289000 0 0 0 0 0 0 0 0 0 TIMING: 1289000 CPU: 5159.31, 0.00394886/step Wall: 5159.31, 0.00394886/step, 1.32835 hours remaining, 114.023438 MB of memory in use. ENERGY: 1289000 628.9055 1862.6963 1945.8259 107.6497 2.7394 -1089.6888 0.0000 0.0000 2728.5421 6186.6700 301.3751 3458.1279 6220.9058 300.1119 PRESSURE: 1289200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1289200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1289200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1289200 0 0 0 0 0 0 0 0 0 TIMING: 1289200 CPU: 5160.1, 0.00395027/step Wall: 5160.1, 0.00395026/step, 1.32861 hours remaining, 114.023438 MB of memory in use. ENERGY: 1289200 660.1702 1881.3044 1952.1754 99.8761 2.5732 -1061.7595 0.0000 0.0000 2682.4812 6216.8210 296.2875 3534.3398 6250.1381 299.3176 PRESSURE: 1289400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1289400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1289400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1289400 0 0 0 0 0 0 0 0 0 TIMING: 1289400 CPU: 5160.89, 0.00394686/step Wall: 5160.89, 0.00394686/step, 1.32724 hours remaining, 114.023438 MB of memory in use. ENERGY: 1289400 650.8236 1822.2027 1946.8215 108.8286 3.0319 -1083.2962 0.0000 0.0000 2734.8963 6183.3085 302.0769 3448.4122 6218.2455 297.4269 PRESSURE: 1289600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1289600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1289600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1289600 0 0 0 0 0 0 0 0 0 TIMING: 1289600 CPU: 5161.67, 0.00394542/step Wall: 5161.67, 0.00394542/step, 1.32654 hours remaining, 114.023438 MB of memory in use. ENERGY: 1289600 648.9074 1843.2137 1979.7084 111.7064 2.4679 -1082.3428 0.0000 0.0000 2729.7164 6233.3775 301.5048 3503.6610 6266.5271 297.9653 PRESSURE: 1289800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1289800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1289800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1289800 0 0 0 0 0 0 0 0 0 TIMING: 1289800 CPU: 5162.46, 0.00394809/step Wall: 5162.46, 0.00394809/step, 1.32722 hours remaining, 114.023438 MB of memory in use. ENERGY: 1289800 648.0358 1872.0051 1988.7852 118.3857 2.7469 -1080.7934 0.0000 0.0000 2709.8704 6259.0357 299.3127 3549.1653 6289.8093 300.9566 PRESSURE: 1290000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1290000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1290000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1290000 0 0 0 0 0 0 0 0 0 TIMING: 1290000 CPU: 5163.25, 0.00394905/step Wall: 5163.25, 0.00394904/step, 1.32732 hours remaining, 114.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1290000 658.2142 1890.4261 1983.5883 105.1661 3.2096 -1077.3013 0.0000 0.0000 2718.0348 6281.3378 300.2145 3563.3030 6314.8780 302.2261 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1290000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1290000 WRITING COORDINATES TO RESTART FILE AT STEP 1290000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1290000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1290200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1290200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1290200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1290200 0 0 0 0 0 0 0 0 0 TIMING: 1290200 CPU: 5164.08, 0.00412823/step Wall: 5164.08, 0.00412824/step, 1.38732 hours remaining, 114.023438 MB of memory in use. ENERGY: 1290200 637.1115 1878.9009 1976.6207 105.2016 2.5276 -1075.7381 0.0000 0.0000 2771.6269 6296.2511 306.1339 3524.6242 6328.4714 301.9985 PRESSURE: 1290400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1290400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1290400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1290400 0 0 0 0 0 0 0 0 0 TIMING: 1290400 CPU: 5164.87, 0.00394806/step Wall: 5164.87, 0.00394806/step, 1.32655 hours remaining, 114.023438 MB of memory in use. ENERGY: 1290400 672.1981 1922.0213 1965.1562 122.2812 2.6516 -1144.4765 0.0000 0.0000 2782.1134 6321.9452 307.2922 3539.8318 6354.7245 304.6729 PRESSURE: 1290600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1290600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1290600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1290600 0 0 0 0 0 0 0 0 0 TIMING: 1290600 CPU: 5165.66, 0.00394546/step Wall: 5165.66, 0.00394545/step, 1.32545 hours remaining, 114.023438 MB of memory in use. ENERGY: 1290600 669.8171 1841.3286 1978.2605 112.0231 3.0265 -1089.7857 0.0000 0.0000 2751.4492 6266.1194 303.9052 3514.6702 6299.2936 303.6669 PRESSURE: 1290800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1290800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1290800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1290800 0 0 0 0 0 0 0 0 0 TIMING: 1290800 CPU: 5166.45, 0.00394868/step Wall: 5166.45, 0.00394868/step, 1.32632 hours remaining, 114.023438 MB of memory in use. ENERGY: 1290800 690.6513 1879.1850 1982.3294 109.0659 2.8991 -1104.8031 0.0000 0.0000 2708.4957 6267.8232 299.1609 3559.3275 6301.9418 302.0334 PRESSURE: 1291000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1291000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1291000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1291000 0 0 0 0 0 0 0 0 0 TIMING: 1291000 CPU: 5167.24, 0.0039487/step Wall: 5167.24, 0.0039487/step, 1.3261 hours remaining, 114.023438 MB of memory in use. ENERGY: 1291000 677.5372 1851.6517 1950.5839 120.1033 2.5945 -1108.1395 0.0000 0.0000 2742.4341 6236.7652 302.9095 3494.3311 6268.8019 300.8303 PRESSURE: 1291200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1291200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1291200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1291200 0 0 0 0 0 0 0 0 0 TIMING: 1291200 CPU: 5168.03, 0.00394886/step Wall: 5168.03, 0.00394886/step, 1.32594 hours remaining, 114.023438 MB of memory in use. ENERGY: 1291200 653.6149 1881.9498 1967.6223 112.5371 3.6647 -1083.8801 0.0000 0.0000 2756.4479 6291.9567 304.4573 3535.5088 6327.3748 302.4832 PRESSURE: 1291400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1291400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1291400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1291400 0 0 0 0 0 0 0 0 0 TIMING: 1291400 CPU: 5168.82, 0.00394737/step Wall: 5168.82, 0.00394737/step, 1.32522 hours remaining, 114.023438 MB of memory in use. ENERGY: 1291400 633.1356 1880.5540 1970.2575 111.4023 2.6616 -1063.6956 0.0000 0.0000 2727.8969 6262.2123 301.3038 3534.3154 6291.6506 303.3409 PRESSURE: 1291600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1291600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1291600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1291600 0 0 0 0 0 0 0 0 0 TIMING: 1291600 CPU: 5169.61, 0.00394819/step Wall: 5169.61, 0.00394819/step, 1.32528 hours remaining, 114.023438 MB of memory in use. ENERGY: 1291600 676.6139 1875.9927 1964.2697 121.1417 2.1733 -1113.8763 0.0000 0.0000 2708.1323 6234.4472 299.1208 3526.3149 6266.6859 301.6301 PRESSURE: 1291800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1291800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1291800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1291800 0 0 0 0 0 0 0 0 0 TIMING: 1291800 CPU: 5170.4, 0.00394918/step Wall: 5170.4, 0.00394918/step, 1.32539 hours remaining, 114.023438 MB of memory in use. ENERGY: 1291800 677.9932 1826.0176 1961.7901 103.8047 1.0549 -1084.8231 0.0000 0.0000 2735.5786 6221.4160 302.1523 3485.8374 6255.6541 299.8635 PRESSURE: 1292000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1292000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1292000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1292000 0 0 0 0 0 0 0 0 0 TIMING: 1292000 CPU: 5171.19, 0.00394792/step Wall: 5171.19, 0.00394792/step, 1.32475 hours remaining, 114.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1292000 664.1375 1876.2335 2010.0157 106.6801 1.3399 -1099.1847 0.0000 0.0000 2650.7120 6209.9339 292.7785 3559.2219 6241.8132 298.3277 PRESSURE: 1292200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1292200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1292200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1292200 0 0 0 0 0 0 0 0 0 TIMING: 1292200 CPU: 5171.98, 0.00394652/step Wall: 5171.98, 0.00394652/step, 1.32406 hours remaining, 114.023438 MB of memory in use. ENERGY: 1292200 647.0787 1850.0420 1987.8375 112.3059 2.4409 -1074.5667 0.0000 0.0000 2686.6211 6211.7594 296.7448 3525.1384 6243.7034 298.8713 LDB: ============= START OF LOAD BALANCING ============== 5174.93 LDB: ============== END OF LOAD BALANCING =============== 5174.93 LDB: =============== DONE WITH MIGRATION ================ 5174.93 LDB: ============= START OF LOAD BALANCING ============== 5175.33 LDB: ============== END OF LOAD BALANCING =============== 5175.33 LDB: =============== DONE WITH MIGRATION ================ 5175.33 PRESSURE: 1292400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1292400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1292400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1292400 0 0 0 0 0 0 0 0 0 TIMING: 1292400 CPU: 5172.77, 0.00394836/step Wall: 5172.77, 0.00394836/step, 1.32446 hours remaining, 114.023438 MB of memory in use. ENERGY: 1292400 616.3191 1833.0903 1985.4251 106.1622 2.3561 -1082.8899 0.0000 0.0000 2728.1587 6188.6216 301.3327 3460.4629 6222.4815 298.5848 PRESSURE: 1292600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1292600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1292600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1292600 0 0 0 0 0 0 0 0 0 TIMING: 1292600 CPU: 5173.55, 0.00394802/step Wall: 5173.55, 0.00394802/step, 1.32412 hours remaining, 114.023438 MB of memory in use. ENERGY: 1292600 622.1884 1881.1797 1964.1835 99.6836 2.0879 -1084.7121 0.0000 0.0000 2667.4461 6152.0570 294.6268 3484.6109 6187.6023 296.0849 PRESSURE: 1292800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1292800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1292800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1292800 0 0 0 0 0 0 0 0 0 TIMING: 1292800 CPU: 5174.34, 0.00394684/step Wall: 5174.34, 0.00394684/step, 1.32351 hours remaining, 114.023438 MB of memory in use. ENERGY: 1292800 675.2899 1825.7524 1955.5186 111.5721 3.5028 -1079.0841 0.0000 0.0000 2677.0126 6169.5643 295.6835 3492.5517 6200.6553 297.6275 PRESSURE: 1293000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1293000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1293000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1293000 0 0 0 0 0 0 0 0 0 TIMING: 1293000 CPU: 5175.13, 0.00394717/step Wall: 5175.13, 0.00394717/step, 1.3234 hours remaining, 114.023438 MB of memory in use. ENERGY: 1293000 655.4150 1853.1515 1971.1891 99.1923 1.7588 -1065.0416 0.0000 0.0000 2723.8369 6239.5020 300.8554 3515.6651 6271.1681 299.1903 PRESSURE: 1293200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1293200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1293200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1293200 0 0 0 0 0 0 0 0 0 TIMING: 1293200 CPU: 5175.92, 0.0039457/step Wall: 5175.92, 0.0039457/step, 1.32268 hours remaining, 114.023438 MB of memory in use. ENERGY: 1293200 653.1120 1808.6548 1970.1895 110.8832 3.2924 -1073.7106 0.0000 0.0000 2687.3687 6159.7899 296.8274 3472.4212 6192.8443 298.5068 PRESSURE: 1293400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1293400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1293400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1293400 0 0 0 0 0 0 0 0 0 TIMING: 1293400 CPU: 5176.71, 0.00394504/step Wall: 5176.71, 0.00394504/step, 1.32225 hours remaining, 114.023438 MB of memory in use. ENERGY: 1293400 642.9089 1824.5814 1985.3130 109.6451 2.2740 -1101.9175 0.0000 0.0000 2675.7889 6138.5936 295.5483 3462.8048 6171.1864 296.0653 PRESSURE: 1293600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1293600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1293600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1293600 0 0 0 0 0 0 0 0 0 TIMING: 1293600 CPU: 5177.5, 0.00394713/step Wall: 5177.5, 0.00394713/step, 1.32273 hours remaining, 114.023438 MB of memory in use. ENERGY: 1293600 630.1489 1848.1424 1986.8050 107.5644 1.9093 -1097.2468 0.0000 0.0000 2666.4827 6143.8059 294.5204 3477.3232 6175.3703 293.9786 PRESSURE: 1293800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1293800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1293800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1293800 0 0 0 0 0 0 0 0 0 TIMING: 1293800 CPU: 5178.29, 0.00394679/step Wall: 5178.29, 0.00394679/step, 1.32239 hours remaining, 114.023438 MB of memory in use. ENERGY: 1293800 666.6627 1845.2373 1996.8239 107.1077 1.8825 -1113.0190 0.0000 0.0000 2673.1596 6177.8548 295.2579 3504.6952 6213.3620 297.7643 PRESSURE: 1294000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1294000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1294000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1294000 0 0 0 0 0 0 0 0 0 TIMING: 1294000 CPU: 5179.08, 0.00395808/step Wall: 5179.08, 0.00395808/step, 1.32596 hours remaining, 114.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1294000 642.2710 1890.1864 1978.9164 106.6343 1.9608 -1130.6954 0.0000 0.0000 2713.2453 6202.5187 299.6855 3489.2735 6234.7156 298.5829 PRESSURE: 1294200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1294200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1294200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1294200 0 0 0 0 0 0 0 0 0 TIMING: 1294200 CPU: 5179.87, 0.0039495/step Wall: 5179.87, 0.0039495/step, 1.32286 hours remaining, 114.023438 MB of memory in use. ENERGY: 1294200 647.1808 1888.2825 1953.6077 105.7723 2.5437 -1081.3084 0.0000 0.0000 2655.5207 6171.5993 293.3097 3516.0786 6202.7007 298.4304 PRESSURE: 1294400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1294400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1294400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1294400 0 0 0 0 0 0 0 0 0 TIMING: 1294400 CPU: 5180.66, 0.00394483/step Wall: 5180.66, 0.00394483/step, 1.32108 hours remaining, 114.023438 MB of memory in use. ENERGY: 1294400 657.8252 1894.9050 1988.7735 95.3309 1.0845 -1131.6946 0.0000 0.0000 2690.3756 6196.6001 297.1595 3506.2245 6225.0724 298.8132 PRESSURE: 1294600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1294600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1294600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1294600 0 0 0 0 0 0 0 0 0 TIMING: 1294600 CPU: 5181.45, 0.00395133/step Wall: 5181.45, 0.00395133/step, 1.32304 hours remaining, 114.023438 MB of memory in use. ENERGY: 1294600 668.0894 1926.5813 1959.9826 102.3988 1.4867 -1126.3943 0.0000 0.0000 2660.8075 6192.9521 293.8936 3532.1446 6222.4998 298.5600 PRESSURE: 1294800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1294800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1294800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1294800 0 0 0 0 0 0 0 0 0 TIMING: 1294800 CPU: 5182.24, 0.0039506/step Wall: 5182.24, 0.0039506/step, 1.32257 hours remaining, 114.023438 MB of memory in use. ENERGY: 1294800 658.2068 1863.6491 2014.1589 106.9147 -0.1677 -1112.6231 0.0000 0.0000 2649.9848 6180.1237 292.6982 3530.1388 6212.2795 298.6974 PRESSURE: 1295000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1295000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1295000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1295000 0 0 0 0 0 0 0 0 0 TIMING: 1295000 CPU: 5183.03, 0.00394853/step Wall: 5183.03, 0.00394853/step, 1.32166 hours remaining, 114.023438 MB of memory in use. ENERGY: 1295000 642.7811 1794.4786 1991.8864 104.1813 0.1361 -1093.5015 0.0000 0.0000 2735.9893 6175.9513 302.1976 3439.9620 6211.1618 298.3866 PRESSURE: 1295200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1295200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1295200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1295200 0 0 0 0 0 0 0 0 0 TIMING: 1295200 CPU: 5183.82, 0.00394395/step Wall: 5183.82, 0.00394395/step, 1.31991 hours remaining, 114.023438 MB of memory in use. ENERGY: 1295200 623.5836 1836.9341 1984.3586 98.1597 2.5186 -1050.3533 0.0000 0.0000 2697.0934 6192.2947 297.9015 3495.2012 6226.1744 298.5050 PRESSURE: 1295400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1295400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1295400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1295400 0 0 0 0 0 0 0 0 0 TIMING: 1295400 CPU: 5184.61, 0.00394936/step Wall: 5184.61, 0.00394936/step, 1.3215 hours remaining, 114.023438 MB of memory in use. ENERGY: 1295400 678.9384 1859.8226 1958.7798 103.2245 2.2937 -1089.8131 0.0000 0.0000 2634.4130 6147.6589 290.9783 3513.2459 6177.0857 297.6674 PRESSURE: 1295600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1295600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1295600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1295600 0 0 0 0 0 0 0 0 0 TIMING: 1295600 CPU: 5185.4, 0.00394938/step Wall: 5185.4, 0.00394938/step, 1.32129 hours remaining, 114.023438 MB of memory in use. ENERGY: 1295600 634.1047 1853.7804 1955.8728 113.4618 2.3732 -1057.3907 0.0000 0.0000 2663.2226 6165.4248 294.1604 3502.2022 6198.8789 295.3661 PRESSURE: 1295800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1295800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1295800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1295800 0 0 0 0 0 0 0 0 0 TIMING: 1295800 CPU: 5186.19, 0.00394923/step Wall: 5186.19, 0.00394922/step, 1.32102 hours remaining, 114.023438 MB of memory in use. ENERGY: 1295800 642.1174 1810.0525 1969.2562 111.0533 1.9370 -1078.5711 0.0000 0.0000 2712.1978 6168.0431 299.5698 3455.8453 6201.8578 296.2327 PRESSURE: 1296000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1296000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1296000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1296000 0 0 0 0 0 0 0 0 0 TIMING: 1296000 CPU: 5186.98, 0.00394824/step Wall: 5186.98, 0.00394825/step, 1.32047 hours remaining, 114.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1296000 643.7038 1820.6644 1981.4920 94.2825 2.0673 -1084.4664 0.0000 0.0000 2708.1735 6165.9171 299.1253 3457.7436 6199.6816 297.2343 PRESSURE: 1296200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1296200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1296200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1296200 0 0 0 0 0 0 0 0 0 TIMING: 1296200 CPU: 5187.77, 0.00394518/step Wall: 5187.77, 0.00394518/step, 1.31923 hours remaining, 114.023438 MB of memory in use. ENERGY: 1296200 677.2644 1801.3931 1975.0450 101.3647 1.5189 -1076.9550 0.0000 0.0000 2679.6813 6159.3123 295.9783 3479.6310 6190.6521 295.9493 LDB: ============= START OF LOAD BALANCING ============== 5190.73 LDB: ============== END OF LOAD BALANCING =============== 5190.73 LDB: =============== DONE WITH MIGRATION ================ 5190.73 LDB: ============= START OF LOAD BALANCING ============== 5191.12 LDB: ============== END OF LOAD BALANCING =============== 5191.12 LDB: =============== DONE WITH MIGRATION ================ 5191.12 PRESSURE: 1296400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1296400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1296400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1296400 0 0 0 0 0 0 0 0 0 TIMING: 1296400 CPU: 5188.56, 0.00395401/step Wall: 5188.56, 0.00395401/step, 1.32196 hours remaining, 114.023438 MB of memory in use. ENERGY: 1296400 626.2268 1816.4454 1996.6484 111.1201 1.5422 -1102.7387 0.0000 0.0000 2702.7213 6151.9655 298.5231 3449.2441 6185.6058 296.1859 PRESSURE: 1296600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1296600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1296600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1296600 0 0 0 0 0 0 0 0 0 TIMING: 1296600 CPU: 5189.35, 0.00395143/step Wall: 5189.35, 0.00395143/step, 1.32087 hours remaining, 114.023438 MB of memory in use. ENERGY: 1296600 668.6155 1882.1335 1979.2050 113.0288 1.8052 -1139.1728 0.0000 0.0000 2663.1417 6168.7569 294.1514 3505.6152 6198.3556 296.9580 PRESSURE: 1296800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1296800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1296800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1296800 0 0 0 0 0 0 0 0 0 TIMING: 1296800 CPU: 5190.14, 0.00394999/step Wall: 5190.14, 0.00394999/step, 1.32017 hours remaining, 114.023438 MB of memory in use. ENERGY: 1296800 655.7546 1902.9160 1984.8562 112.4839 2.6455 -1127.2927 0.0000 0.0000 2666.5978 6197.9613 294.5332 3531.3635 6227.4556 297.1433 PRESSURE: 1297000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1297000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1297000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1297000 0 0 0 0 0 0 0 0 0 TIMING: 1297000 CPU: 5190.93, 0.0039493/step Wall: 5190.93, 0.0039493/step, 1.31972 hours remaining, 114.023438 MB of memory in use. ENERGY: 1297000 642.1922 1883.4904 1972.0097 101.6567 2.0710 -1110.3988 0.0000 0.0000 2699.9062 6190.9275 298.2122 3491.0213 6223.4622 300.2599 PRESSURE: 1297200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1297200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1297200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1297200 0 0 0 0 0 0 0 0 0 TIMING: 1297200 CPU: 5191.72, 0.00394619/step Wall: 5191.72, 0.00394619/step, 1.31847 hours remaining, 114.023438 MB of memory in use. ENERGY: 1297200 685.9581 1832.6917 1969.4240 104.7056 2.1967 -1086.4324 0.0000 0.0000 2653.5212 6162.0650 293.0888 3508.5437 6194.1282 297.4934 PRESSURE: 1297400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1297400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1297400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1297400 0 0 0 0 0 0 0 0 0 TIMING: 1297400 CPU: 5192.51, 0.00394923/step Wall: 5192.51, 0.00394923/step, 1.31926 hours remaining, 114.023438 MB of memory in use. ENERGY: 1297400 652.3255 1884.2206 1941.9698 106.3250 1.0208 -1048.8590 0.0000 0.0000 2670.7806 6207.7834 294.9952 3537.0028 6240.8164 296.8022 PRESSURE: 1297600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1297600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1297600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1297600 0 0 0 0 0 0 0 0 0 TIMING: 1297600 CPU: 5193.3, 0.00395013/step Wall: 5193.3, 0.00395013/step, 1.31934 hours remaining, 114.023438 MB of memory in use. ENERGY: 1297600 652.0841 1866.0952 1942.3313 110.4802 2.6265 -1080.6334 0.0000 0.0000 2658.2498 6151.2337 293.6111 3492.9839 6183.7496 297.6090 PRESSURE: 1297800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1297800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1297800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1297800 0 0 0 0 0 0 0 0 0 TIMING: 1297800 CPU: 5194.09, 0.00394884/step Wall: 5194.09, 0.00394884/step, 1.31869 hours remaining, 114.023438 MB of memory in use. ENERGY: 1297800 636.1303 1817.7127 1949.5762 128.7940 2.3957 -1072.8294 0.0000 0.0000 2690.5542 6152.3337 297.1792 3461.7795 6187.2359 296.7223 PRESSURE: 1298000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1298000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1298000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1298000 0 0 0 0 0 0 0 0 0 TIMING: 1298000 CPU: 5194.88, 0.00394822/step Wall: 5194.88, 0.00394822/step, 1.31827 hours remaining, 114.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1298000 646.9325 1834.4323 1959.4505 122.1853 1.7383 -1119.4260 0.0000 0.0000 2659.3977 6104.7106 293.7379 3445.3129 6136.2793 294.0784 PRESSURE: 1298200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1298200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1298200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1298200 0 0 0 0 0 0 0 0 0 TIMING: 1298200 CPU: 5195.67, 0.00394771/step Wall: 5195.67, 0.00394771/step, 1.31788 hours remaining, 114.023438 MB of memory in use. ENERGY: 1298200 688.4043 1818.1575 1959.6055 102.6197 2.2990 -1087.5917 0.0000 0.0000 2660.6519 6144.1462 293.8764 3483.4943 6173.9502 295.0549 PRESSURE: 1298400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1298400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1298400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1298400 0 0 0 0 0 0 0 0 0 TIMING: 1298400 CPU: 5196.46, 0.00395069/step Wall: 5196.46, 0.00395069/step, 1.31865 hours remaining, 114.023438 MB of memory in use. ENERGY: 1298400 683.0700 1814.0730 1988.8573 105.7185 1.2958 -1100.7804 0.0000 0.0000 2672.3349 6164.5692 295.1668 3492.2343 6195.9443 295.7698 PRESSURE: 1298600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1298600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1298600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1298600 0 0 0 0 0 0 0 0 0 TIMING: 1298600 CPU: 5197.25, 0.00395015/step Wall: 5197.25, 0.00395015/step, 1.31825 hours remaining, 114.023438 MB of memory in use. ENERGY: 1298600 651.2573 1804.7018 1956.1681 112.4983 0.4880 -1061.7475 0.0000 0.0000 2723.9625 6187.3286 300.8692 3463.3661 6219.5200 296.3365 PRESSURE: 1298800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1298800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1298800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1298800 0 0 0 0 0 0 0 0 0 TIMING: 1298800 CPU: 5198.04, 0.00394951/step Wall: 5198.04, 0.00394951/step, 1.31782 hours remaining, 114.023438 MB of memory in use. ENERGY: 1298800 647.4998 1885.6905 1960.4402 103.5045 2.3221 -1073.0922 0.0000 0.0000 2663.2924 6189.6572 294.1681 3526.3648 6220.5137 297.8425 PRESSURE: 1299000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1299000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1299000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1299000 0 0 0 0 0 0 0 0 0 TIMING: 1299000 CPU: 5198.83, 0.00394547/step Wall: 5198.83, 0.00394547/step, 1.31625 hours remaining, 114.023438 MB of memory in use. ENERGY: 1299000 671.7913 1822.0390 1959.2501 99.7640 1.1040 -1074.1027 0.0000 0.0000 2766.4177 6246.2634 305.5585 3479.8457 6282.5290 298.2254 PRESSURE: 1299200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1299200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1299200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1299200 0 0 0 0 0 0 0 0 0 TIMING: 1299200 CPU: 5199.62, 0.00394863/step Wall: 5199.62, 0.00394863/step, 1.31709 hours remaining, 114.023438 MB of memory in use. ENERGY: 1299200 685.4282 1840.7499 1985.6249 96.9829 0.9842 -1081.3822 0.0000 0.0000 2724.6538 6253.0418 300.9456 3528.3879 6284.6210 299.7120 PRESSURE: 1299400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1299400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1299400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1299400 0 0 0 0 0 0 0 0 0 TIMING: 1299400 CPU: 5200.41, 0.00394825/step Wall: 5200.41, 0.00394825/step, 1.31674 hours remaining, 114.023438 MB of memory in use. ENERGY: 1299400 659.4738 1843.1590 1965.8531 116.6284 0.5747 -1054.0222 0.0000 0.0000 2764.9211 6296.5880 305.3932 3531.6669 6328.5387 302.7104 PRESSURE: 1299600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1299600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1299600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1299600 0 0 0 0 0 0 0 0 0 TIMING: 1299600 CPU: 5201.2, 0.00394936/step Wall: 5201.2, 0.00394936/step, 1.31689 hours remaining, 114.023438 MB of memory in use. ENERGY: 1299600 647.2258 1821.9872 1979.0179 120.7513 1.8250 -1078.9385 0.0000 0.0000 2716.0148 6207.8835 299.9914 3491.8687 6242.5908 302.0693 PRESSURE: 1299800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1299800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1299800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1299800 0 0 0 0 0 0 0 0 0 TIMING: 1299800 CPU: 5201.99, 0.00394813/step Wall: 5201.99, 0.00394813/step, 1.31626 hours remaining, 114.023438 MB of memory in use. ENERGY: 1299800 632.3127 1864.9308 1974.2116 117.1244 0.7623 -1107.6213 0.0000 0.0000 2751.6358 6233.3565 303.9258 3481.7207 6267.4482 299.6971 PRESSURE: 1300000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1300000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1300000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1300000 0 0 0 0 0 0 0 0 0 TIMING: 1300000 CPU: 5202.77, 0.00394705/step Wall: 5202.77, 0.00394705/step, 1.31568 hours remaining, 114.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1300000 641.3324 1808.6460 1952.3617 114.7724 1.4166 -1074.8988 0.0000 0.0000 2776.6696 6220.3000 306.6909 3443.6303 6256.1878 300.3695 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1300200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1300200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1300200 0 0 0 0 0 0 0 0 0 TIMING: 1300200 CPU: 5203.61, 0.00419064/step Wall: 5203.61, 0.00419064/step, 1.39665 hours remaining, 114.171875 MB of memory in use. ENERGY: 1300200 652.3259 1867.4806 1993.6840 115.1009 2.1385 -1073.2094 0.0000 0.0000 2712.3182 6269.8387 299.5831 3557.5205 6303.1577 300.0369 LDB: ============= START OF LOAD BALANCING ============== 5206.57 LDB: ============== END OF LOAD BALANCING =============== 5206.57 LDB: =============== DONE WITH MIGRATION ================ 5206.57 LDB: ============= START OF LOAD BALANCING ============== 5206.97 LDB: ============== END OF LOAD BALANCING =============== 5206.97 LDB: =============== DONE WITH MIGRATION ================ 5206.97 PRESSURE: 1300400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1300400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1300400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1300400 0 0 0 0 0 0 0 0 0 TIMING: 1300400 CPU: 5204.4, 0.00395958/step Wall: 5204.4, 0.00395958/step, 1.31942 hours remaining, 114.171875 MB of memory in use. ENERGY: 1300400 658.8020 1866.4829 1977.1688 102.3241 1.7378 -1087.7848 0.0000 0.0000 2734.8633 6253.5940 302.0733 3518.7307 6286.5402 303.3924 PRESSURE: 1300600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1300600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1300600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1300600 0 0 0 0 0 0 0 0 0 TIMING: 1300600 CPU: 5205.2, 0.00395321/step Wall: 5205.2, 0.00395321/step, 1.31708 hours remaining, 114.171875 MB of memory in use. ENERGY: 1300600 707.9377 1827.6456 1966.1600 104.1998 1.4148 -1067.0807 0.0000 0.0000 2725.8006 6266.0778 301.0723 3540.2772 6298.6194 301.6582 PRESSURE: 1300800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1300800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1300800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1300800 0 0 0 0 0 0 0 0 0 TIMING: 1300800 CPU: 5205.99, 0.00394966/step Wall: 5205.99, 0.00394966/step, 1.31567 hours remaining, 114.171875 MB of memory in use. ENERGY: 1300800 640.1591 1866.3346 1959.7863 110.6590 2.3224 -1047.1440 0.0000 0.0000 2688.4330 6220.5504 296.9449 3532.1173 6250.3156 300.8886 PRESSURE: 1301000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1301000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1301000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1301000 0 0 0 0 0 0 0 0 0 TIMING: 1301000 CPU: 5206.77, 0.00394616/step Wall: 5206.77, 0.00394616/step, 1.31429 hours remaining, 114.171875 MB of memory in use. ENERGY: 1301000 679.2540 1882.5431 1957.7447 96.2597 0.3755 -1055.7994 0.0000 0.0000 2646.1444 6206.5221 292.2740 3560.3777 6237.6583 299.9962 PRESSURE: 1301200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1301200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1301200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1301200 0 0 0 0 0 0 0 0 0 TIMING: 1301200 CPU: 5207.56, 0.00395123/step Wall: 5207.56, 0.00395123/step, 1.31576 hours remaining, 114.171875 MB of memory in use. ENERGY: 1301200 676.7536 1860.5032 1947.8899 101.2864 2.2851 -1062.1054 0.0000 0.0000 2640.8744 6167.4872 291.6919 3526.6128 6198.1975 297.4475 PRESSURE: 1301400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1301400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1301400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1301400 0 0 0 0 0 0 0 0 0 TIMING: 1301400 CPU: 5208.36, 0.00395106/step Wall: 5208.36, 0.00395106/step, 1.31548 hours remaining, 114.171875 MB of memory in use. ENERGY: 1301400 614.7823 1901.5816 1955.5266 108.8814 1.9042 -1096.9550 0.0000 0.0000 2641.2057 6126.9268 291.7285 3485.7212 6160.1548 295.4396 PRESSURE: 1301600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1301600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1301600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1301600 0 0 0 0 0 0 0 0 0 TIMING: 1301600 CPU: 5209.15, 0.00395046/step Wall: 5209.15, 0.00395046/step, 1.31506 hours remaining, 114.171875 MB of memory in use. ENERGY: 1301600 641.9126 1847.4359 1951.1346 96.3430 1.8856 -1082.4003 0.0000 0.0000 2676.5235 6132.8349 295.6295 3456.3114 6164.8861 293.8486 PRESSURE: 1301800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1301800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1301800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1301800 0 0 0 0 0 0 0 0 0 TIMING: 1301800 CPU: 5209.94, 0.00395003/step Wall: 5209.94, 0.00395003/step, 1.3147 hours remaining, 114.171875 MB of memory in use. ENERGY: 1301800 642.1739 1835.0044 1963.7263 91.1724 1.8633 -1080.6911 0.0000 0.0000 2676.4300 6129.6793 295.6192 3453.2492 6164.4649 294.6138 PRESSURE: 1302000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1302000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1302000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1302000 0 0 0 0 0 0 0 0 0 TIMING: 1302000 CPU: 5210.72, 0.00394541/step Wall: 5210.72, 0.00394541/step, 1.31294 hours remaining, 114.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1302000 661.6711 1856.6951 1984.8282 89.7595 1.5515 -1071.2301 0.0000 0.0000 2665.1743 6188.4497 294.3759 3523.2754 6220.2105 296.1108 PRESSURE: 1302200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1302200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1302200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1302200 0 0 0 0 0 0 0 0 0 TIMING: 1302200 CPU: 5211.51, 0.00395098/step Wall: 5211.51, 0.00395098/step, 1.31458 hours remaining, 114.175781 MB of memory in use. ENERGY: 1302200 660.3301 1823.2178 1953.4262 104.9340 2.0416 -1051.7831 0.0000 0.0000 2724.8324 6216.9989 300.9653 3492.1665 6250.9581 297.9619 PRESSURE: 1302400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1302400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1302400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1302400 0 0 0 0 0 0 0 0 0 TIMING: 1302400 CPU: 5212.3, 0.00394823/step Wall: 5212.3, 0.00394823/step, 1.31344 hours remaining, 114.179688 MB of memory in use. ENERGY: 1302400 691.1566 1858.2304 1959.7850 103.7550 0.3807 -1103.1523 0.0000 0.0000 2687.3484 6197.5039 296.8251 3510.1555 6230.9392 298.4939 PRESSURE: 1302600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1302600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1302600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1302600 0 0 0 0 0 0 0 0 0 TIMING: 1302600 CPU: 5213.09, 0.00394907/step Wall: 5213.09, 0.00394907/step, 1.31351 hours remaining, 114.179688 MB of memory in use. ENERGY: 1302600 650.0465 1913.5542 1956.4584 113.9559 2.6623 -1104.5591 0.0000 0.0000 2663.4075 6195.5258 294.1808 3532.1183 6225.3424 297.4520 PRESSURE: 1302800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1302800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1302800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1302800 0 0 0 0 0 0 0 0 0 TIMING: 1302800 CPU: 5213.88, 0.00394514/step Wall: 5213.88, 0.00394514/step, 1.31198 hours remaining, 114.179688 MB of memory in use. ENERGY: 1302800 617.0727 1865.9090 1973.8011 119.4592 2.2237 -1098.6091 0.0000 0.0000 2682.8074 6162.6641 296.3236 3479.8567 6195.8723 296.3657 PRESSURE: 1303000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1303000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1303000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1303000 0 0 0 0 0 0 0 0 0 TIMING: 1303000 CPU: 5214.67, 0.00394902/step Wall: 5214.67, 0.00394902/step, 1.31305 hours remaining, 114.179688 MB of memory in use. ENERGY: 1303000 637.5178 1886.5698 1966.4126 106.9863 3.9183 -1106.9492 0.0000 0.0000 2645.7448 6140.2005 292.2299 3494.4557 6170.2922 297.0788 PRESSURE: 1303200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1303200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1303200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1303200 0 0 0 0 0 0 0 0 0 TIMING: 1303200 CPU: 5215.46, 0.00394856/step Wall: 5215.46, 0.00394856/step, 1.31268 hours remaining, 114.179688 MB of memory in use. ENERGY: 1303200 647.6234 1817.9831 1991.3204 116.7592 2.2843 -1089.9292 0.0000 0.0000 2641.8129 6127.8542 291.7956 3486.0413 6160.4870 294.1362 PRESSURE: 1303400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1303400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1303400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1303400 0 0 0 0 0 0 0 0 0 TIMING: 1303400 CPU: 5216.25, 0.00394958/step Wall: 5216.25, 0.00394958/step, 1.3128 hours remaining, 114.179688 MB of memory in use. ENERGY: 1303400 676.1211 1823.8416 1956.1880 104.4749 0.9728 -1080.9076 0.0000 0.0000 2654.3351 6135.0258 293.1787 3480.6908 6168.8467 293.5289 PRESSURE: 1303600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1303600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1303600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1303600 0 0 0 0 0 0 0 0 0 TIMING: 1303600 CPU: 5217.04, 0.00394932/step Wall: 5217.04, 0.00394932/step, 1.31249 hours remaining, 114.179688 MB of memory in use. ENERGY: 1303600 640.9745 1823.8997 1965.6480 117.9991 2.7815 -1072.6309 0.0000 0.0000 2668.3070 6146.9790 294.7219 3478.6720 6181.1468 295.3336 PRESSURE: 1303800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1303800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1303800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1303800 0 0 0 0 0 0 0 0 0 TIMING: 1303800 CPU: 5217.83, 0.00394592/step Wall: 5217.83, 0.00394592/step, 1.31114 hours remaining, 114.179688 MB of memory in use. ENERGY: 1303800 717.1803 1876.0442 1954.3200 114.3537 0.5136 -1095.4945 0.0000 0.0000 2580.8750 6147.7923 285.0648 3566.9174 6179.9154 294.5727 PRESSURE: 1304000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1304000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1304000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1304000 0 0 0 0 0 0 0 0 0 TIMING: 1304000 CPU: 5218.62, 0.00395037/step Wall: 5218.62, 0.00395037/step, 1.3124 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1304000 656.8629 1834.4958 1946.5951 114.9092 1.9792 -1039.4330 0.0000 0.0000 2672.4798 6187.8891 295.1828 3515.4093 6223.5679 296.2584 PRESSURE: 1304200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1304200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1304200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1304200 0 0 0 0 0 0 0 0 0 TIMING: 1304200 CPU: 5219.41, 0.00395961/step Wall: 5219.41, 0.00395961/step, 1.31525 hours remaining, 114.179688 MB of memory in use. ENERGY: 1304200 643.5660 1848.8278 1987.1931 104.1442 0.5448 -1090.6062 0.0000 0.0000 2717.2678 6210.9374 300.1298 3493.6697 6245.8301 298.2660 LDB: ============= START OF LOAD BALANCING ============== 5222.37 LDB: ============== END OF LOAD BALANCING =============== 5222.37 LDB: =============== DONE WITH MIGRATION ================ 5222.37 LDB: ============= START OF LOAD BALANCING ============== 5222.77 LDB: ============== END OF LOAD BALANCING =============== 5222.77 LDB: =============== DONE WITH MIGRATION ================ 5222.77 PRESSURE: 1304400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1304400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1304400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1304400 0 0 0 0 0 0 0 0 0 TIMING: 1304400 CPU: 5220.2, 0.00395146/step Wall: 5220.2, 0.00395146/step, 1.31232 hours remaining, 114.179688 MB of memory in use. ENERGY: 1304400 667.5456 1819.5629 1957.5401 124.3311 0.6531 -1070.9671 0.0000 0.0000 2750.6107 6249.2765 303.8126 3498.6658 6284.3062 299.8013 PRESSURE: 1304600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1304600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1304600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1304600 0 0 0 0 0 0 0 0 0 TIMING: 1304600 CPU: 5220.99, 0.00395039/step Wall: 5220.99, 0.00395039/step, 1.31175 hours remaining, 114.179688 MB of memory in use. ENERGY: 1304600 647.5211 1848.1949 1949.0814 117.6838 1.3022 -1079.4783 0.0000 0.0000 2728.3478 6212.6529 301.3536 3484.3050 6246.3090 299.0001 PRESSURE: 1304800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1304800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1304800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1304800 0 0 0 0 0 0 0 0 0 TIMING: 1304800 CPU: 5221.78, 0.0039449/step Wall: 5221.78, 0.0039449/step, 1.30971 hours remaining, 114.179688 MB of memory in use. ENERGY: 1304800 674.2576 1792.6471 1985.0969 106.5852 2.3576 -1097.6833 0.0000 0.0000 2741.3974 6204.6587 302.7950 3463.2613 6240.6051 299.2447 PRESSURE: 1305000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1305000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1305000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1305000 0 0 0 0 0 0 0 0 0 TIMING: 1305000 CPU: 5222.57, 0.0039501/step Wall: 5222.57, 0.0039501/step, 1.31121 hours remaining, 114.179688 MB of memory in use. ENERGY: 1305000 617.4988 1819.0331 1995.7137 97.5394 1.7889 -1069.8669 0.0000 0.0000 2696.6226 6158.3296 297.8495 3461.7070 6192.6228 297.5961 PRESSURE: 1305200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1305200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1305200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1305200 0 0 0 0 0 0 0 0 0 TIMING: 1305200 CPU: 5223.36, 0.00394976/step Wall: 5223.36, 0.00394976/step, 1.31088 hours remaining, 114.179688 MB of memory in use. ENERGY: 1305200 612.5795 1849.1090 1978.0636 109.9267 1.7643 -1071.9254 0.0000 0.0000 2695.2069 6174.7246 297.6931 3479.5177 6205.3504 298.1077 PRESSURE: 1305400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1305400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1305400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1305400 0 0 0 0 0 0 0 0 0 TIMING: 1305400 CPU: 5224.15, 0.00395066/step Wall: 5224.15, 0.00395066/step, 1.31096 hours remaining, 114.179688 MB of memory in use. ENERGY: 1305400 653.8956 1908.9680 2022.1680 117.5116 2.1805 -1064.0651 0.0000 0.0000 2619.0129 6259.6716 289.2773 3640.6587 6289.3576 299.2030 PRESSURE: 1305600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1305600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1305600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1305600 0 0 0 0 0 0 0 0 0 TIMING: 1305600 CPU: 5224.94, 0.00394834/step Wall: 5224.94, 0.00394834/step, 1.30997 hours remaining, 114.179688 MB of memory in use. ENERGY: 1305600 661.4590 1848.3558 1948.7616 108.6969 3.1079 -1111.0899 0.0000 0.0000 2731.6687 6190.9601 301.7204 3459.2914 6223.6264 299.9720 PRESSURE: 1305800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1305800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1305800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1305800 0 0 0 0 0 0 0 0 0 TIMING: 1305800 CPU: 5225.73, 0.00394429/step Wall: 5225.73, 0.00394429/step, 1.30841 hours remaining, 114.179688 MB of memory in use. ENERGY: 1305800 619.7380 1814.1429 2000.4569 109.7742 2.0656 -1121.4167 0.0000 0.0000 2730.1702 6154.9313 301.5549 3424.7611 6189.5648 298.2523 PRESSURE: 1306000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1306000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1306000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1306000 0 0 0 0 0 0 0 0 0 TIMING: 1306000 CPU: 5226.52, 0.00395119/step Wall: 5226.52, 0.00395119/step, 1.31048 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1306000 646.6846 1819.1452 1961.8985 101.1708 1.5321 -1066.9111 0.0000 0.0000 2691.5649 6155.0849 297.2908 3463.5200 6190.0004 297.2346 PRESSURE: 1306200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1306200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1306200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1306200 0 0 0 0 0 0 0 0 0 TIMING: 1306200 CPU: 5227.31, 0.00395092/step Wall: 5227.31, 0.00395092/step, 1.31017 hours remaining, 114.179688 MB of memory in use. ENERGY: 1306200 590.4098 1836.4009 1970.5849 101.2311 1.2541 -1068.6915 0.0000 0.0000 2707.8720 6139.0614 299.0920 3431.1894 6175.8373 295.3198 PRESSURE: 1306400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1306400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1306400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1306400 0 0 0 0 0 0 0 0 0 TIMING: 1306400 CPU: 5228.1, 0.00394995/step Wall: 5228.1, 0.00394995/step, 1.30963 hours remaining, 114.179688 MB of memory in use. ENERGY: 1306400 618.9835 1885.6222 2001.2135 106.9411 3.3324 -1092.3085 0.0000 0.0000 2684.5318 6208.3159 296.5140 3523.7841 6243.3498 296.6228 PRESSURE: 1306600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1306600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1306600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1306600 0 0 0 0 0 0 0 0 0 TIMING: 1306600 CPU: 5228.89, 0.00394534/step Wall: 5228.89, 0.00394534/step, 1.30788 hours remaining, 114.179688 MB of memory in use. ENERGY: 1306600 638.1131 1835.1651 1973.9979 107.3599 1.2086 -1101.9837 0.0000 0.0000 2763.8536 6217.7145 305.2753 3453.8609 6253.4999 300.4117 PRESSURE: 1306800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1306800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1306800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1306800 0 0 0 0 0 0 0 0 0 TIMING: 1306800 CPU: 5229.68, 0.00395235/step Wall: 5229.68, 0.00395235/step, 1.30998 hours remaining, 114.179688 MB of memory in use. ENERGY: 1306800 671.9337 1890.6221 1989.6725 104.2512 0.7093 -1109.2326 0.0000 0.0000 2683.6134 6231.5695 296.4126 3547.9561 6262.6946 299.1485 PRESSURE: 1307000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1307000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1307000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1307000 0 0 0 0 0 0 0 0 0 TIMING: 1307000 CPU: 5230.47, 0.00395155/step Wall: 5230.47, 0.00395155/step, 1.3095 hours remaining, 114.179688 MB of memory in use. ENERGY: 1307000 648.6507 1859.7587 1965.7317 106.8782 0.8067 -1062.1086 0.0000 0.0000 2715.0528 6234.7702 299.8851 3519.7175 6267.3399 299.8004 PRESSURE: 1307200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1307200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1307200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1307200 0 0 0 0 0 0 0 0 0 TIMING: 1307200 CPU: 5231.26, 0.00395126/step Wall: 5231.26, 0.00395126/step, 1.30918 hours remaining, 114.179688 MB of memory in use. ENERGY: 1307200 629.4129 1832.6775 1961.2558 113.2848 0.9463 -1066.3673 0.0000 0.0000 2688.2637 6159.4738 296.9262 3471.2100 6190.6364 298.5143 PRESSURE: 1307400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1307400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1307400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1307400 0 0 0 0 0 0 0 0 0 TIMING: 1307400 CPU: 5232.05, 0.00394989/step Wall: 5232.05, 0.00394989/step, 1.30851 hours remaining, 114.179688 MB of memory in use. ENERGY: 1307400 667.8611 1813.3112 2011.8892 110.7394 0.8002 -1099.4575 0.0000 0.0000 2646.6173 6151.7610 292.3263 3505.1436 6185.7609 298.3320 PRESSURE: 1307600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1307600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1307600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1307600 0 0 0 0 0 0 0 0 0 TIMING: 1307600 CPU: 5232.84, 0.0039439/step Wall: 5232.84, 0.0039439/step, 1.30631 hours remaining, 114.179688 MB of memory in use. ENERGY: 1307600 682.2250 1845.5960 1958.7057 95.6154 1.5730 -1091.2132 0.0000 0.0000 2697.4866 6189.9885 297.9449 3492.5018 6222.3587 296.9636 PRESSURE: 1307800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1307800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1307800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1307800 0 0 0 0 0 0 0 0 0 TIMING: 1307800 CPU: 5233.63, 0.00394978/step Wall: 5233.63, 0.00394978/step, 1.30804 hours remaining, 114.179688 MB of memory in use. ENERGY: 1307800 669.6047 1848.1409 1984.1304 103.4277 1.1112 -1076.9441 0.0000 0.0000 2714.3923 6243.8630 299.8122 3529.4707 6276.2538 298.8792 PRESSURE: 1308000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1308000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1308000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1308000 0 0 0 0 0 0 0 0 0 TIMING: 1308000 CPU: 5234.42, 0.00394987/step Wall: 5234.42, 0.00394987/step, 1.30785 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1308000 711.5752 1811.7299 1997.7096 114.8772 1.0962 -1054.3917 0.0000 0.0000 2649.1566 6231.7531 292.6067 3582.5965 6263.1646 299.5153 PRESSURE: 1308200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1308200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1308200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1308200 0 0 0 0 0 0 0 0 0 TIMING: 1308200 CPU: 5235.21, 0.00395035/step Wall: 5235.21, 0.00395035/step, 1.30778 hours remaining, 114.179688 MB of memory in use. ENERGY: 1308200 652.6926 1873.9840 1999.6399 94.6348 0.8442 -1052.0917 0.0000 0.0000 2694.4674 6264.1712 297.6114 3569.7038 6296.9649 299.0827 LDB: ============= START OF LOAD BALANCING ============== 5238.17 LDB: ============== END OF LOAD BALANCING =============== 5238.17 LDB: =============== DONE WITH MIGRATION ================ 5238.17 LDB: ============= START OF LOAD BALANCING ============== 5238.57 LDB: ============== END OF LOAD BALANCING =============== 5238.57 LDB: =============== DONE WITH MIGRATION ================ 5238.57 PRESSURE: 1308400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1308400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1308400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1308400 0 0 0 0 0 0 0 0 0 TIMING: 1308400 CPU: 5236, 0.00395593/step Wall: 5236, 0.00395593/step, 1.30941 hours remaining, 114.179688 MB of memory in use. ENERGY: 1308400 677.9009 1784.3419 1954.4652 112.0044 0.7807 -1045.0650 0.0000 0.0000 2713.2513 6197.6795 299.6862 3484.4281 6232.6413 297.2431 PRESSURE: 1308600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1308600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1308600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1308600 0 0 0 0 0 0 0 0 0 TIMING: 1308600 CPU: 5236.79, 0.00394342/step Wall: 5236.79, 0.00394342/step, 1.30505 hours remaining, 114.179688 MB of memory in use. ENERGY: 1308600 640.8145 1798.9727 1967.9359 102.9815 0.2736 -1050.7969 0.0000 0.0000 2698.5910 6158.7723 298.0669 3460.1813 6192.0302 296.0345 PRESSURE: 1308800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1308800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1308800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1308800 0 0 0 0 0 0 0 0 0 TIMING: 1308800 CPU: 5237.58, 0.00394907/step Wall: 5237.58, 0.00394907/step, 1.3067 hours remaining, 114.179688 MB of memory in use. ENERGY: 1308800 641.6962 1842.8657 1965.1722 104.0826 1.2900 -1082.6747 0.0000 0.0000 2686.6278 6159.0597 296.7455 3472.4318 6189.9294 295.1731 PRESSURE: 1309000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1309000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1309000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1309000 0 0 0 0 0 0 0 0 0 TIMING: 1309000 CPU: 5238.37, 0.00394874/step Wall: 5238.37, 0.00394874/step, 1.30637 hours remaining, 114.179688 MB of memory in use. ENERGY: 1309000 671.3210 1852.8011 1963.2968 114.9771 0.5637 -1059.6972 0.0000 0.0000 2638.7494 6182.0117 291.4572 3543.2624 6212.7898 297.4289 PRESSURE: 1309200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1309200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1309200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1309200 0 0 0 0 0 0 0 0 0 TIMING: 1309200 CPU: 5239.16, 0.0039495/step Wall: 5239.16, 0.0039495/step, 1.30641 hours remaining, 114.179688 MB of memory in use. ENERGY: 1309200 662.1600 1840.7854 1958.8431 102.9129 1.2118 -1067.9200 0.0000 0.0000 2680.0399 6178.0330 296.0179 3497.9932 6211.0189 297.8979 PRESSURE: 1309400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1309400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1309400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1309400 0 0 0 0 0 0 0 0 0 TIMING: 1309400 CPU: 5239.95, 0.00394169/step Wall: 5239.95, 0.00394169/step, 1.3036 hours remaining, 114.179688 MB of memory in use. ENERGY: 1309400 658.1400 1845.9408 1964.4862 109.5047 -0.9852 -1065.7962 0.0000 0.0000 2706.5294 6217.8195 298.9437 3511.2902 6247.8371 298.1305 PRESSURE: 1309600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1309600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1309600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1309600 0 0 0 0 0 0 0 0 0 TIMING: 1309600 CPU: 5240.74, 0.0039484/step Wall: 5240.74, 0.0039484/step, 1.3056 hours remaining, 114.179688 MB of memory in use. ENERGY: 1309600 630.4693 1848.5725 1954.5043 103.3878 0.4075 -1056.2246 0.0000 0.0000 2697.9595 6179.0764 297.9971 3481.1169 6211.2963 297.0485 PRESSURE: 1309800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1309800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1309800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1309800 0 0 0 0 0 0 0 0 0 TIMING: 1309800 CPU: 5241.53, 0.00395053/step Wall: 5241.53, 0.00395053/step, 1.30609 hours remaining, 114.179688 MB of memory in use. ENERGY: 1309800 634.2578 1827.3649 1969.4448 102.4317 1.0409 -1052.2556 0.0000 0.0000 2717.1184 6199.4030 300.1133 3482.2846 6234.2106 298.6420 PRESSURE: 1310000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1310000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1310000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1310000 0 0 0 0 0 0 0 0 0 TIMING: 1310000 CPU: 5242.32, 0.00394821/step Wall: 5242.32, 0.00394821/step, 1.3051 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1310000 629.5719 1850.0507 1971.7693 107.1169 -0.0946 -1093.0670 0.0000 0.0000 2721.9055 6187.2527 300.6420 3465.3472 6219.4832 298.1361 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1310000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1310000 WRITING COORDINATES TO RESTART FILE AT STEP 1310000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1310000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1310200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1310200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1310200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1310200 0 0 0 0 0 0 0 0 0 TIMING: 1310200 CPU: 5243.15, 0.00416734/step Wall: 5243.15, 0.00416734/step, 1.3773 hours remaining, 114.179688 MB of memory in use. ENERGY: 1310200 650.8607 1809.2215 1974.1954 117.1450 0.8358 -1067.5364 0.0000 0.0000 2731.0916 6215.8136 301.6567 3484.7220 6249.9155 299.7531 PRESSURE: 1310400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1310400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1310400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1310400 0 0 0 0 0 0 0 0 0 TIMING: 1310400 CPU: 5243.94, 0.00394269/step Wall: 5243.94, 0.00394269/step, 1.30284 hours remaining, 114.179688 MB of memory in use. ENERGY: 1310400 677.9030 1806.1728 2032.3871 104.5681 -0.2663 -1058.8972 0.0000 0.0000 2709.6770 6271.5445 299.2914 3561.8675 6304.3647 299.2075 PRESSURE: 1310600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1310600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1310600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1310600 0 0 0 0 0 0 0 0 0 TIMING: 1310600 CPU: 5244.73, 0.00394668/step Wall: 5244.73, 0.00394668/step, 1.30394 hours remaining, 114.179688 MB of memory in use. ENERGY: 1310600 665.9892 1830.9128 1964.4033 114.7274 -0.9154 -1061.4785 0.0000 0.0000 2802.9278 6316.5666 309.5912 3513.6388 6351.0159 303.1491 PRESSURE: 1310800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1310800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1310800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1310800 0 0 0 0 0 0 0 0 0 TIMING: 1310800 CPU: 5245.52, 0.00394741/step Wall: 5245.52, 0.00394741/step, 1.30396 hours remaining, 114.179688 MB of memory in use. ENERGY: 1310800 670.6506 1916.0705 1970.8358 97.4359 0.0892 -1116.2966 0.0000 0.0000 2776.7205 6315.5059 306.6965 3538.7854 6350.4499 304.8901 PRESSURE: 1311000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1311000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1311000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1311000 0 0 0 0 0 0 0 0 0 TIMING: 1311000 CPU: 5246.31, 0.00394656/step Wall: 5246.31, 0.00394656/step, 1.30346 hours remaining, 114.179688 MB of memory in use. ENERGY: 1311000 668.3976 1821.1122 1974.8520 98.9972 1.4409 -1070.8819 0.0000 0.0000 2755.0894 6249.0073 304.3073 3493.9179 6285.1557 303.2973 PRESSURE: 1311200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1311200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1311200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1311200 0 0 0 0 0 0 0 0 0 TIMING: 1311200 CPU: 5247.1, 0.00394666/step Wall: 5247.1, 0.00394666/step, 1.30327 hours remaining, 114.179688 MB of memory in use. ENERGY: 1311200 649.6086 1847.0826 1965.0351 113.5022 1.3656 -1067.3584 0.0000 0.0000 2795.9959 6305.2315 308.8255 3509.2356 6341.1482 303.2284 PRESSURE: 1311400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1311400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1311400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1311400 0 0 0 0 0 0 0 0 0 TIMING: 1311400 CPU: 5247.89, 0.00394229/step Wall: 5247.89, 0.00394229/step, 1.30161 hours remaining, 114.179688 MB of memory in use. ENERGY: 1311400 668.8763 1833.8034 1938.1487 97.9305 1.5147 -1037.3958 0.0000 0.0000 2789.8224 6292.7002 308.1437 3502.8778 6328.1931 304.8129 PRESSURE: 1311600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1311600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1311600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1311600 0 0 0 0 0 0 0 0 0 TIMING: 1311600 CPU: 5248.68, 0.00394678/step Wall: 5248.68, 0.00394678/step, 1.30288 hours remaining, 114.179688 MB of memory in use. ENERGY: 1311600 687.2541 1899.0123 1975.1352 103.5035 1.6153 -1062.3266 0.0000 0.0000 2762.8222 6367.0161 305.1614 3604.1939 6400.7189 304.2351 PRESSURE: 1311800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1311800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1311800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1311800 0 0 0 0 0 0 0 0 0 TIMING: 1311800 CPU: 5249.47, 0.00395013/step Wall: 5249.47, 0.00395013/step, 1.30376 hours remaining, 114.179688 MB of memory in use. ENERGY: 1311800 682.5482 1870.0633 1981.8954 113.4614 2.0083 -1104.2780 0.0000 0.0000 2786.4767 6332.1753 307.7741 3545.6986 6363.6868 306.7837 PRESSURE: 1312000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1312000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1312000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1312000 0 0 0 0 0 0 0 0 0 TIMING: 1312000 CPU: 5250.26, 0.00394958/step Wall: 5250.26, 0.00394958/step, 1.30336 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1312000 674.5354 1868.3132 1976.9414 115.7034 1.2665 -1060.6707 0.0000 0.0000 2789.6787 6365.7680 308.1278 3576.0892 6402.6503 306.4339 PRESSURE: 1312200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1312200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1312200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1312200 0 0 0 0 0 0 0 0 0 TIMING: 1312200 CPU: 5251.05, 0.00395374/step Wall: 5251.05, 0.00395374/step, 1.30451 hours remaining, 114.179688 MB of memory in use. ENERGY: 1312200 654.2697 1945.9788 1964.1538 122.0856 0.6215 -1057.2317 0.0000 0.0000 2734.7638 6364.6414 302.0623 3629.8776 6399.8621 305.8038 LDB: ============= START OF LOAD BALANCING ============== 5254 LDB: ============== END OF LOAD BALANCING =============== 5254 LDB: =============== DONE WITH MIGRATION ================ 5254 LDB: ============= START OF LOAD BALANCING ============== 5254.4 LDB: ============== END OF LOAD BALANCING =============== 5254.4 LDB: =============== DONE WITH MIGRATION ================ 5254.4 PRESSURE: 1312400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1312400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1312400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1312400 0 0 0 0 0 0 0 0 0 TIMING: 1312400 CPU: 5251.84, 0.00394912/step Wall: 5251.84, 0.00394912/step, 1.30277 hours remaining, 114.179688 MB of memory in use. ENERGY: 1312400 697.9471 1954.6625 1973.7029 120.3914 0.9381 -1057.9399 0.0000 0.0000 2684.0654 6373.7676 296.4625 3689.7022 6402.3078 306.8503 PRESSURE: 1312600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1312600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1312600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1312600 0 0 0 0 0 0 0 0 0 TIMING: 1312600 CPU: 5252.63, 0.00394987/step Wall: 5252.63, 0.00394987/step, 1.3028 hours remaining, 114.179688 MB of memory in use. ENERGY: 1312600 683.2884 1886.3834 1970.0310 112.8603 1.3545 -1057.0422 0.0000 0.0000 2770.5391 6367.4145 306.0138 3596.8754 6402.3356 306.2201 PRESSURE: 1312800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1312800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1312800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1312800 0 0 0 0 0 0 0 0 0 TIMING: 1312800 CPU: 5253.42, 0.00395043/step Wall: 5253.42, 0.00395043/step, 1.30276 hours remaining, 114.179688 MB of memory in use. ENERGY: 1312800 678.4450 1931.8712 1963.7764 96.4274 1.1301 -1124.5521 0.0000 0.0000 2803.2147 6350.3127 309.6229 3547.0980 6383.8564 307.7404 PRESSURE: 1313000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1313000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1313000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1313000 0 0 0 0 0 0 0 0 0 TIMING: 1313000 CPU: 5254.21, 0.00395062/step Wall: 5254.21, 0.00395062/step, 1.30261 hours remaining, 114.179688 MB of memory in use. ENERGY: 1313000 669.9101 1882.3738 2006.7024 114.1272 2.7782 -1085.2301 0.0000 0.0000 2735.7646 6326.4263 302.1728 3590.6617 6357.4945 306.1032 PRESSURE: 1313200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1313200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1313200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1313200 0 0 0 0 0 0 0 0 0 TIMING: 1313200 CPU: 5255, 0.00394895/step Wall: 5255, 0.00394894/step, 1.30184 hours remaining, 114.179688 MB of memory in use. ENERGY: 1313200 671.4349 1944.2843 1984.8498 109.1345 2.0938 -1067.5693 0.0000 0.0000 2737.4640 6381.6920 302.3605 3644.2279 6419.5540 305.9067 PRESSURE: 1313400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1313400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1313400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1313400 0 0 0 0 0 0 0 0 0 TIMING: 1313400 CPU: 5255.79, 0.00394714/step Wall: 5255.79, 0.00394715/step, 1.30102 hours remaining, 114.179688 MB of memory in use. ENERGY: 1313400 724.5822 1918.6223 1954.3715 98.4815 1.4693 -1090.9277 0.0000 0.0000 2818.4264 6425.0256 311.3030 3606.5992 6458.4617 309.1239 PRESSURE: 1313600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1313600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1313600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1313600 0 0 0 0 0 0 0 0 0 TIMING: 1313600 CPU: 5256.57, 0.00394938/step Wall: 5256.57, 0.00394938/step, 1.30154 hours remaining, 114.179688 MB of memory in use. ENERGY: 1313600 669.0557 1857.1245 1990.5866 100.9078 2.3133 -1030.1745 0.0000 0.0000 2825.8754 6415.6888 312.1258 3589.8134 6449.7147 309.2896 PRESSURE: 1313800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1313800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1313800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1313800 0 0 0 0 0 0 0 0 0 TIMING: 1313800 CPU: 5257.36, 0.00394894/step Wall: 5257.36, 0.00394894/step, 1.30118 hours remaining, 114.179688 MB of memory in use. ENERGY: 1313800 672.9780 1858.1247 1983.9845 104.8440 1.5326 -1045.0227 0.0000 0.0000 2768.3416 6344.7826 305.7710 3576.4409 6379.3686 306.2787 PRESSURE: 1314000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1314000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1314000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1314000 0 0 0 0 0 0 0 0 0 TIMING: 1314000 CPU: 5258.16, 0.00396613/step Wall: 5258.16, 0.00396613/step, 1.30662 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1314000 681.9361 1853.4646 1949.7253 113.7543 2.6031 -1088.2758 0.0000 0.0000 2737.6851 6250.8927 302.3849 3513.2076 6285.8640 303.4591 PRESSURE: 1314200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1314200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1314200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1314200 0 0 0 0 0 0 0 0 0 TIMING: 1314200 CPU: 5258.95, 0.00394189/step Wall: 5258.95, 0.00394189/step, 1.29841 hours remaining, 114.179688 MB of memory in use. ENERGY: 1314200 671.7862 1853.6653 1978.2402 118.4646 0.2110 -1110.8549 0.0000 0.0000 2692.6420 6204.1543 297.4098 3511.5124 6237.7712 299.9446 PRESSURE: 1314400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1314400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1314400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1314400 0 0 0 0 0 0 0 0 0 TIMING: 1314400 CPU: 5259.74, 0.00394897/step Wall: 5259.74, 0.00394897/step, 1.30053 hours remaining, 114.179688 MB of memory in use. ENERGY: 1314400 612.0570 1874.3028 1960.5442 105.7872 0.1829 -1060.4440 0.0000 0.0000 2754.6564 6247.0864 304.2595 3492.4301 6282.6197 298.1881 PRESSURE: 1314600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1314600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1314600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1314600 0 0 0 0 0 0 0 0 0 TIMING: 1314600 CPU: 5260.53, 0.00394795/step Wall: 5260.53, 0.00394795/step, 1.29997 hours remaining, 114.179688 MB of memory in use. ENERGY: 1314600 643.7769 1854.7563 1952.6717 113.3945 0.3198 -1051.6665 0.0000 0.0000 2698.1870 6211.4397 298.0223 3513.2528 6244.4871 300.1356 PRESSURE: 1314800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1314800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1314800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1314800 0 0 0 0 0 0 0 0 0 TIMING: 1314800 CPU: 5261.32, 0.00395005/step Wall: 5261.32, 0.00395005/step, 1.30044 hours remaining, 114.179688 MB of memory in use. ENERGY: 1314800 675.9384 1881.3911 1954.3891 104.2513 1.9252 -1098.7584 0.0000 0.0000 2740.5377 6259.6744 302.7000 3519.1367 6294.8702 301.2383 PRESSURE: 1315000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1315000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1315000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1315000 0 0 0 0 0 0 0 0 0 TIMING: 1315000 CPU: 5262.11, 0.00394724/step Wall: 5262.11, 0.00394724/step, 1.2993 hours remaining, 114.179688 MB of memory in use. ENERGY: 1315000 663.5835 1857.9911 1967.5187 109.5994 0.5645 -1084.8834 0.0000 0.0000 2720.9909 6235.3647 300.5410 3514.3737 6268.0946 302.2967 PRESSURE: 1315200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1315200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1315200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1315200 0 0 0 0 0 0 0 0 0 TIMING: 1315200 CPU: 5262.89, 0.00394436/step Wall: 5262.89, 0.00394436/step, 1.29813 hours remaining, 114.179688 MB of memory in use. ENERGY: 1315200 678.2775 1853.0329 1969.8915 114.6169 1.7639 -1097.0571 0.0000 0.0000 2713.3753 6233.9009 299.6999 3520.5256 6267.1172 301.1405 PRESSURE: 1315400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1315400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1315400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1315400 0 0 0 0 0 0 0 0 0 TIMING: 1315400 CPU: 5263.69, 0.00396009/step Wall: 5263.69, 0.00396009/step, 1.30309 hours remaining, 114.179688 MB of memory in use. ENERGY: 1315400 639.4591 1863.9227 1993.2987 113.8481 2.1677 -1089.3047 0.0000 0.0000 2712.0962 6235.4878 299.5586 3523.3916 6269.4710 299.9800 PRESSURE: 1315600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1315600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1315600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1315600 0 0 0 0 0 0 0 0 0 TIMING: 1315600 CPU: 5264.48, 0.00396585/step Wall: 5264.48, 0.00396585/step, 1.30477 hours remaining, 114.179688 MB of memory in use. ENERGY: 1315600 685.1849 1855.2934 1985.9117 107.7940 1.9721 -1091.5774 0.0000 0.0000 2708.6470 6253.2257 299.1776 3544.5787 6285.1511 302.5726 PRESSURE: 1315800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1315800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1315800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1315800 0 0 0 0 0 0 0 0 0 TIMING: 1315800 CPU: 5265.27, 0.00395466/step Wall: 5265.27, 0.00395466/step, 1.30086 hours remaining, 114.179688 MB of memory in use. ENERGY: 1315800 665.3392 1838.6725 1972.3959 108.9308 2.0525 -1093.7353 0.0000 0.0000 2772.9540 6266.6096 306.2805 3493.6556 6302.5189 301.9099 PRESSURE: 1316000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1316000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1316000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1316000 0 0 0 0 0 0 0 0 0 TIMING: 1316000 CPU: 5266.06, 0.00394768/step Wall: 5266.06, 0.00394768/step, 1.29835 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1316000 640.3558 1885.5583 1994.2306 102.7613 2.1704 -1072.6959 0.0000 0.0000 2691.4603 6243.8407 297.2793 3552.3804 6277.0472 299.5341 PRESSURE: 1316200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1316200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1316200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1316200 0 0 0 0 0 0 0 0 0 TIMING: 1316200 CPU: 5266.85, 0.00394382/step Wall: 5266.85, 0.00394382/step, 1.29686 hours remaining, 114.179688 MB of memory in use. ENERGY: 1316200 668.0350 1864.3908 1975.4092 99.1190 2.3154 -1103.3531 0.0000 0.0000 2707.1230 6213.0393 299.0093 3505.9163 6250.1369 299.1795 LDB: ============= START OF LOAD BALANCING ============== 5269.81 LDB: ============== END OF LOAD BALANCING =============== 5269.81 LDB: =============== DONE WITH MIGRATION ================ 5269.81 LDB: ============= START OF LOAD BALANCING ============== 5270.2 LDB: ============== END OF LOAD BALANCING =============== 5270.2 LDB: =============== DONE WITH MIGRATION ================ 5270.2 PRESSURE: 1316400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1316400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1316400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1316400 0 0 0 0 0 0 0 0 0 TIMING: 1316400 CPU: 5267.64, 0.00395311/step Wall: 5267.64, 0.00395311/step, 1.29969 hours remaining, 114.179688 MB of memory in use. ENERGY: 1316400 640.4285 1853.9141 1947.0959 110.2581 1.8354 -1060.1983 0.0000 0.0000 2716.1389 6209.4727 300.0051 3493.3337 6243.0942 299.3195 PRESSURE: 1316600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1316600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1316600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1316600 0 0 0 0 0 0 0 0 0 TIMING: 1316600 CPU: 5268.43, 0.00394701/step Wall: 5268.43, 0.00394701/step, 1.29747 hours remaining, 114.179688 MB of memory in use. ENERGY: 1316600 675.1025 1811.2101 1996.5750 115.8870 2.0628 -1072.1468 0.0000 0.0000 2715.1216 6243.8122 299.8927 3528.6906 6277.0639 299.8041 PRESSURE: 1316800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1316800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1316800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1316800 0 0 0 0 0 0 0 0 0 TIMING: 1316800 CPU: 5269.22, 0.00394832/step Wall: 5269.22, 0.00394832/step, 1.29768 hours remaining, 114.179688 MB of memory in use. ENERGY: 1316800 661.3138 1830.7224 1967.4971 103.9187 3.2291 -1067.4043 0.0000 0.0000 2711.8885 6211.1653 299.5356 3499.2768 6245.8993 300.4004 PRESSURE: 1317000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1317000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1317000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1317000 0 0 0 0 0 0 0 0 0 TIMING: 1317000 CPU: 5270.01, 0.00394249/step Wall: 5270.01, 0.00394249/step, 1.29555 hours remaining, 114.179688 MB of memory in use. ENERGY: 1317000 676.2401 1815.1895 1989.4378 110.7142 1.8521 -1088.2012 0.0000 0.0000 2724.2742 6229.5066 300.9037 3505.2324 6263.6393 299.7211 PRESSURE: 1317200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1317200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1317200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1317200 0 0 0 0 0 0 0 0 0 TIMING: 1317200 CPU: 5270.8, 0.00394695/step Wall: 5270.8, 0.00394695/step, 1.29679 hours remaining, 114.179688 MB of memory in use. ENERGY: 1317200 646.2395 1861.5544 1975.8427 114.0031 1.6623 -1113.5939 0.0000 0.0000 2760.6292 6246.3373 304.9192 3485.7081 6280.7174 300.4138 PRESSURE: 1317400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1317400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1317400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1317400 0 0 0 0 0 0 0 0 0 TIMING: 1317400 CPU: 5271.59, 0.00394768/step Wall: 5271.59, 0.00394768/step, 1.29681 hours remaining, 114.179688 MB of memory in use. ENERGY: 1317400 650.2101 1890.4579 1980.6726 119.5619 -0.0828 -1076.8881 0.0000 0.0000 2726.6629 6290.5945 301.1675 3563.9315 6321.6921 302.9052 PRESSURE: 1317600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1317600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1317600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1317600 0 0 0 0 0 0 0 0 0 TIMING: 1317600 CPU: 5272.38, 0.00394779/step Wall: 5272.38, 0.00394779/step, 1.29663 hours remaining, 114.179688 MB of memory in use. ENERGY: 1317600 684.4283 1845.7657 1996.1749 112.5787 2.9589 -1110.3065 0.0000 0.0000 2796.5165 6328.1164 308.8830 3531.6000 6363.6781 305.1370 PRESSURE: 1317800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1317800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1317800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1317800 0 0 0 0 0 0 0 0 0 TIMING: 1317800 CPU: 5273.16, 0.0039483/step Wall: 5273.16, 0.0039483/step, 1.29658 hours remaining, 114.179688 MB of memory in use. ENERGY: 1317800 679.0638 1841.1515 2022.8358 110.8448 2.7473 -1082.1173 0.0000 0.0000 2709.9037 6284.4295 299.3164 3574.5259 6315.0944 304.0136 PRESSURE: 1318000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1318000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1318000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1318000 0 0 0 0 0 0 0 0 0 TIMING: 1318000 CPU: 5273.95, 0.00394198/step Wall: 5273.95, 0.00394198/step, 1.29428 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1318000 626.2350 1930.6262 1960.8784 102.8101 2.2308 -1104.8320 0.0000 0.0000 2721.3972 6239.3458 300.5859 3517.9485 6273.5249 302.9743 PRESSURE: 1318200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1318200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1318200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1318200 0 0 0 0 0 0 0 0 0 TIMING: 1318200 CPU: 5274.74, 0.0039476/step Wall: 5274.74, 0.0039476/step, 1.29591 hours remaining, 114.179688 MB of memory in use. ENERGY: 1318200 640.9580 1874.3234 1970.9538 114.0664 3.7212 -1055.2415 0.0000 0.0000 2724.3290 6273.1103 300.9097 3548.7813 6304.5391 300.5708 PRESSURE: 1318400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1318400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1318400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1318400 0 0 0 0 0 0 0 0 0 TIMING: 1318400 CPU: 5275.53, 0.00394856/step Wall: 5275.53, 0.00394856/step, 1.29601 hours remaining, 114.179688 MB of memory in use. ENERGY: 1318400 650.8965 1869.5573 1993.4161 105.3608 3.5251 -1087.8721 0.0000 0.0000 2705.4837 6240.3673 298.8282 3534.8836 6274.8459 301.6222 PRESSURE: 1318600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1318600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1318600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1318600 0 0 0 0 0 0 0 0 0 TIMING: 1318600 CPU: 5276.32, 0.00394935/step Wall: 5276.32, 0.00394935/step, 1.29605 hours remaining, 114.179688 MB of memory in use. ENERGY: 1318600 667.1931 1843.3661 1947.7436 97.5257 3.9356 -1066.2521 0.0000 0.0000 2737.0531 6230.5651 302.3151 3493.5119 6262.8531 300.0988 PRESSURE: 1318800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1318800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1318800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1318800 0 0 0 0 0 0 0 0 0 TIMING: 1318800 CPU: 5277.11, 0.00394885/step Wall: 5277.11, 0.00394885/step, 1.29566 hours remaining, 114.179688 MB of memory in use. ENERGY: 1318800 682.8709 1795.3170 1973.3285 112.7529 1.5543 -1048.7264 0.0000 0.0000 2649.4692 6166.5664 292.6413 3517.0972 6200.4092 297.5932 PRESSURE: 1319000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1319000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1319000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1319000 0 0 0 0 0 0 0 0 0 TIMING: 1319000 CPU: 5277.9, 0.00394277/step Wall: 5277.9, 0.00394277/step, 1.29345 hours remaining, 114.179688 MB of memory in use. ENERGY: 1319000 655.1972 1845.1216 1979.4104 104.4944 1.3668 -1121.0470 0.0000 0.0000 2697.0049 6161.5483 297.8917 3464.5434 6192.1473 294.9625 PRESSURE: 1319200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1319200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1319200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1319200 0 0 0 0 0 0 0 0 0 TIMING: 1319200 CPU: 5278.69, 0.00394912/step Wall: 5278.69, 0.00394912/step, 1.29531 hours remaining, 114.179688 MB of memory in use. ENERGY: 1319200 639.5095 1829.2475 1993.6487 95.9285 0.9388 -1077.6262 0.0000 0.0000 2680.9476 6162.5943 296.1181 3481.6467 6192.8847 296.3327 PRESSURE: 1319400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1319400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1319400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1319400 0 0 0 0 0 0 0 0 0 TIMING: 1319400 CPU: 5279.48, 0.00394912/step Wall: 5279.48, 0.00394912/step, 1.29509 hours remaining, 114.179688 MB of memory in use. ENERGY: 1319400 635.0257 1835.0894 1965.5176 97.8266 1.9483 -1098.1402 0.0000 0.0000 2735.9304 6173.1979 302.1911 3437.2675 6206.5869 295.4358 PRESSURE: 1319600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1319600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1319600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1319600 0 0 0 0 0 0 0 0 0 TIMING: 1319600 CPU: 5280.27, 0.00394825/step Wall: 5280.27, 0.00394825/step, 1.29459 hours remaining, 114.179688 MB of memory in use. ENERGY: 1319600 618.2223 1873.1415 1950.4125 107.9873 1.8898 -1083.7231 0.0000 0.0000 2671.2440 6139.1744 295.0463 3467.9304 6174.4885 293.3492 PRESSURE: 1319800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1319800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1319800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1319800 0 0 0 0 0 0 0 0 0 TIMING: 1319800 CPU: 5281.06, 0.00394938/step Wall: 5281.06, 0.00394938/step, 1.29474 hours remaining, 114.179688 MB of memory in use. ENERGY: 1319800 637.2016 1816.4192 1944.1279 94.1207 2.8035 -1041.6636 0.0000 0.0000 2663.4917 6116.5009 294.1901 3453.0093 6148.1038 294.0569 PRESSURE: 1320000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1320000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1320000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1320000 0 0 0 0 0 0 0 0 0 TIMING: 1320000 CPU: 5281.85, 0.00394475/step Wall: 5281.85, 0.00394475/step, 1.293 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1320000 646.1003 1850.7696 1951.0181 100.1749 2.3044 -1063.5056 0.0000 0.0000 2642.0676 6128.9294 291.8237 3486.8618 6160.9957 293.3089 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1320000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1320000 WRITING COORDINATES TO RESTART FILE AT STEP 1320000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1320000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1320200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1320200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1320200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1320200 0 0 0 0 0 0 0 0 0 TIMING: 1320200 CPU: 5282.68, 0.00415864/step Wall: 5282.68, 0.00415864/step, 1.36288 hours remaining, 114.179688 MB of memory in use. ENERGY: 1320200 668.6139 1831.8318 1973.0631 109.9059 2.2882 -1076.8149 0.0000 0.0000 2671.8558 6180.7440 295.1139 3508.8882 6213.8732 295.2510 LDB: ============= START OF LOAD BALANCING ============== 5285.64 LDB: ============== END OF LOAD BALANCING =============== 5285.64 LDB: =============== DONE WITH MIGRATION ================ 5285.64 LDB: ============= START OF LOAD BALANCING ============== 5286.04 LDB: ============== END OF LOAD BALANCING =============== 5286.04 LDB: =============== DONE WITH MIGRATION ================ 5286.04 PRESSURE: 1320400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1320400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1320400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1320400 0 0 0 0 0 0 0 0 0 TIMING: 1320400 CPU: 5283.47, 0.0039529/step Wall: 5283.47, 0.0039529/step, 1.29524 hours remaining, 114.179688 MB of memory in use. ENERGY: 1320400 667.6097 1855.1757 1953.8612 104.6843 2.8800 -1056.0570 0.0000 0.0000 2651.3113 6179.4652 292.8447 3528.1539 6211.6492 295.6965 PRESSURE: 1320600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1320600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1320600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1320600 0 0 0 0 0 0 0 0 0 TIMING: 1320600 CPU: 5284.26, 0.00394809/step Wall: 5284.26, 0.00394809/step, 1.29344 hours remaining, 114.179688 MB of memory in use. ENERGY: 1320600 653.9700 1820.0259 1983.2941 110.0049 2.9818 -1087.7541 0.0000 0.0000 2692.2075 6174.7302 297.3618 3482.5227 6209.6088 296.7751 PRESSURE: 1320800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1320800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1320800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1320800 0 0 0 0 0 0 0 0 0 TIMING: 1320800 CPU: 5285.05, 0.00394762/step Wall: 5285.05, 0.00394762/step, 1.29306 hours remaining, 114.179688 MB of memory in use. ENERGY: 1320800 673.0261 1799.8704 1960.3254 98.1431 2.8695 -1081.0478 0.0000 0.0000 2735.4564 6188.6431 302.1388 3453.1867 6221.7937 296.7512 PRESSURE: 1321000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1321000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1321000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1321000 0 0 0 0 0 0 0 0 0 TIMING: 1321000 CPU: 5285.84, 0.00394691/step Wall: 5285.84, 0.00394691/step, 1.29261 hours remaining, 114.179688 MB of memory in use. ENERGY: 1321000 685.8891 1822.4631 1967.5540 109.5977 2.3622 -1089.1547 0.0000 0.0000 2677.0185 6175.7299 295.6842 3498.7114 6207.7945 297.0120 PRESSURE: 1321200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1321200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1321200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1321200 0 0 0 0 0 0 0 0 0 TIMING: 1321200 CPU: 5286.63, 0.00394845/step Wall: 5286.63, 0.00394845/step, 1.2929 hours remaining, 114.179688 MB of memory in use. ENERGY: 1321200 655.5239 1833.3499 1949.5799 105.6545 3.2206 -1091.8402 0.0000 0.0000 2690.3059 6145.7945 297.1518 3455.4886 6179.1189 296.1574 PRESSURE: 1321400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1321400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1321400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1321400 0 0 0 0 0 0 0 0 0 TIMING: 1321400 CPU: 5287.42, 0.00394715/step Wall: 5287.42, 0.00394715/step, 1.29225 hours remaining, 114.179688 MB of memory in use. ENERGY: 1321400 633.4038 1822.2801 1971.7184 100.0344 2.4317 -1078.9259 0.0000 0.0000 2683.8307 6134.7731 296.4366 3450.9424 6167.7458 294.7930 PRESSURE: 1321600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1321600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1321600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1321600 0 0 0 0 0 0 0 0 0 TIMING: 1321600 CPU: 5288.21, 0.00394739/step Wall: 5288.21, 0.00394739/step, 1.29211 hours remaining, 114.179688 MB of memory in use. ENERGY: 1321600 662.1221 1824.8333 1966.9801 102.9778 3.7359 -1046.2578 0.0000 0.0000 2707.1152 6221.5067 299.0084 3514.3914 6250.8930 297.7898 PRESSURE: 1321800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1321800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1321800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1321800 0 0 0 0 0 0 0 0 0 TIMING: 1321800 CPU: 5289, 0.00394344/step Wall: 5289, 0.00394344/step, 1.2906 hours remaining, 114.179688 MB of memory in use. ENERGY: 1321800 667.4007 1817.1823 1958.8336 100.2819 2.2937 -1085.8355 0.0000 0.0000 2780.4424 6240.5990 307.1076 3460.1566 6276.2562 300.0895 PRESSURE: 1322000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1322000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1322000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1322000 0 0 0 0 0 0 0 0 0 TIMING: 1322000 CPU: 5289.79, 0.0039492/step Wall: 5289.79, 0.0039492/step, 1.29227 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1322000 661.1220 1800.4655 1964.1795 113.5412 2.6949 -1034.8670 0.0000 0.0000 2716.4002 6223.5363 300.0340 3507.1361 6255.3200 299.8885 PRESSURE: 1322200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1322200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1322200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1322200 0 0 0 0 0 0 0 0 0 TIMING: 1322200 CPU: 5290.58, 0.00394825/step Wall: 5290.58, 0.00394825/step, 1.29174 hours remaining, 114.179688 MB of memory in use. ENERGY: 1322200 643.7184 1816.8600 1978.8836 106.3181 2.6248 -1039.1799 0.0000 0.0000 2720.4366 6229.6617 300.4798 3509.2251 6264.6354 297.5718 PRESSURE: 1322400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1322400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1322400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1322400 0 0 0 0 0 0 0 0 0 TIMING: 1322400 CPU: 5291.37, 0.00394938/step Wall: 5291.37, 0.00394938/step, 1.29189 hours remaining, 114.179688 MB of memory in use. ENERGY: 1322400 608.7352 1856.9734 1977.2928 103.1339 2.5719 -1052.4805 0.0000 0.0000 2727.3858 6223.6125 301.2474 3496.2268 6257.8407 299.1129 PRESSURE: 1322600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1322600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1322600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1322600 0 0 0 0 0 0 0 0 0 TIMING: 1322600 CPU: 5292.16, 0.00394829/step Wall: 5292.16, 0.0039483/step, 1.29131 hours remaining, 114.179688 MB of memory in use. ENERGY: 1322600 628.6680 1862.7052 1962.1110 99.6866 1.9286 -1083.3745 0.0000 0.0000 2746.1129 6217.8379 303.3158 3471.7249 6252.1931 298.9352 PRESSURE: 1322800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1322800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1322800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1322800 0 0 0 0 0 0 0 0 0 TIMING: 1322800 CPU: 5292.94, 0.00394348/step Wall: 5292.94, 0.00394348/step, 1.28952 hours remaining, 114.179688 MB of memory in use. ENERGY: 1322800 603.1756 1841.9935 1979.1568 105.0128 2.6867 -1080.3800 0.0000 0.0000 2821.7773 6273.4226 311.6732 3451.6453 6312.7247 300.8898 PRESSURE: 1323000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1323000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1323000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1323000 0 0 0 0 0 0 0 0 0 TIMING: 1323000 CPU: 5293.73, 0.00394899/step Wall: 5293.73, 0.00394899/step, 1.2911 hours remaining, 114.179688 MB of memory in use. ENERGY: 1323000 645.8595 1821.3184 1986.0638 108.3154 2.8903 -1060.1510 0.0000 0.0000 2722.1865 6226.4828 300.6731 3504.2964 6258.8827 300.3442 PRESSURE: 1323200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1323200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1323200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1323200 0 0 0 0 0 0 0 0 0 TIMING: 1323200 CPU: 5294.52, 0.0039484/step Wall: 5294.52, 0.0039484/step, 1.29069 hours remaining, 114.179688 MB of memory in use. ENERGY: 1323200 660.5951 1858.1123 1991.0008 103.2046 2.9121 -1089.6652 0.0000 0.0000 2668.0150 6194.1747 294.6897 3526.1597 6226.9482 296.8048 PRESSURE: 1323400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1323400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1323400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1323400 0 0 0 0 0 0 0 0 0 TIMING: 1323400 CPU: 5295.31, 0.00394837/step Wall: 5295.31, 0.00394837/step, 1.29046 hours remaining, 114.179688 MB of memory in use. ENERGY: 1323400 667.5815 1843.1772 1988.8385 102.7487 4.1657 -1075.4175 0.0000 0.0000 2725.3120 6256.4061 301.0183 3531.0941 6291.6292 299.7062 PRESSURE: 1323600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1323600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1323600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1323600 0 0 0 0 0 0 0 0 0 TIMING: 1323600 CPU: 5296.1, 0.00394857/step Wall: 5296.1, 0.00394856/step, 1.2903 hours remaining, 114.179688 MB of memory in use. ENERGY: 1323600 637.8882 1891.0364 1977.4443 97.9330 1.9275 -1066.6089 0.0000 0.0000 2679.7087 6219.3290 295.9813 3539.6203 6252.3391 301.1585 PRESSURE: 1323800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1323800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1323800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1323800 0 0 0 0 0 0 0 0 0 TIMING: 1323800 CPU: 5296.89, 0.0039417/step Wall: 5296.89, 0.00394171/step, 1.28784 hours remaining, 114.179688 MB of memory in use. ENERGY: 1323800 651.9157 1873.7896 1986.3733 104.4314 2.6019 -1124.8175 0.0000 0.0000 2678.6444 6172.9388 295.8637 3494.2944 6205.4699 298.5844 PRESSURE: 1324000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1324000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1324000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1324000 0 0 0 0 0 0 0 0 0 TIMING: 1324000 CPU: 5297.68, 0.0039484/step Wall: 5297.68, 0.00394839/step, 1.28981 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1324000 641.4826 1822.4724 1975.6457 101.1600 0.8914 -1098.6833 0.0000 0.0000 2704.7876 6147.7565 298.7513 3442.9689 6181.4518 297.3645 PRESSURE: 1324200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1324200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1324200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1324200 0 0 0 0 0 0 0 0 0 TIMING: 1324200 CPU: 5298.47, 0.00395579/step Wall: 5298.47, 0.00395579/step, 1.29201 hours remaining, 114.179688 MB of memory in use. ENERGY: 1324200 623.0183 1793.7594 1948.9199 101.6614 3.1063 -1059.7991 0.0000 0.0000 2732.3104 6142.9764 301.7913 3410.6660 6178.6083 295.4309 LDB: ============= START OF LOAD BALANCING ============== 5301.43 LDB: ============== END OF LOAD BALANCING =============== 5301.43 LDB: =============== DONE WITH MIGRATION ================ 5301.43 LDB: ============= START OF LOAD BALANCING ============== 5301.83 LDB: ============== END OF LOAD BALANCING =============== 5301.83 LDB: =============== DONE WITH MIGRATION ================ 5301.83 PRESSURE: 1324400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1324400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1324400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1324400 0 0 0 0 0 0 0 0 0 TIMING: 1324400 CPU: 5299.26, 0.00395115/step Wall: 5299.26, 0.00395115/step, 1.29027 hours remaining, 114.179688 MB of memory in use. ENERGY: 1324400 686.2132 1838.3475 2000.0082 94.1874 2.6750 -1076.4759 0.0000 0.0000 2663.5603 6208.5158 294.1977 3544.9555 6240.2424 296.6688 PRESSURE: 1324600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1324600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1324600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1324600 0 0 0 0 0 0 0 0 0 TIMING: 1324600 CPU: 5300.05, 0.00394249/step Wall: 5300.05, 0.00394249/step, 1.28722 hours remaining, 114.179688 MB of memory in use. ENERGY: 1324600 631.3804 1860.4904 1989.2856 101.2249 2.3743 -1043.2189 0.0000 0.0000 2662.3881 6203.9248 294.0682 3541.5367 6236.4764 297.7836 PRESSURE: 1324800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1324800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1324800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1324800 0 0 0 0 0 0 0 0 0 TIMING: 1324800 CPU: 5300.84, 0.00394444/step Wall: 5300.84, 0.00394444/step, 1.28764 hours remaining, 114.179688 MB of memory in use. ENERGY: 1324800 623.5911 1873.2701 1992.6264 106.2087 1.9369 -1050.4765 0.0000 0.0000 2641.1157 6188.2723 291.7186 3547.1565 6219.3875 296.3968 PRESSURE: 1325000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1325000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1325000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1325000 0 0 0 0 0 0 0 0 0 TIMING: 1325000 CPU: 5301.63, 0.00394691/step Wall: 5301.63, 0.00394691/step, 1.28823 hours remaining, 114.179688 MB of memory in use. ENERGY: 1325000 627.3321 1833.2642 1983.6211 97.1917 2.2517 -1053.3108 0.0000 0.0000 2684.3927 6174.7428 296.4987 3490.3501 6204.5415 296.3866 PRESSURE: 1325200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1325200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1325200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1325200 0 0 0 0 0 0 0 0 0 TIMING: 1325200 CPU: 5302.42, 0.00394485/step Wall: 5302.42, 0.00394485/step, 1.28734 hours remaining, 114.179688 MB of memory in use. ENERGY: 1325200 680.9500 1851.4436 1983.3964 118.2270 1.8323 -1067.4864 0.0000 0.0000 2660.2434 6228.6063 293.8313 3568.3629 6257.2830 296.2787 PRESSURE: 1325400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1325400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1325400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1325400 0 0 0 0 0 0 0 0 0 TIMING: 1325400 CPU: 5303.21, 0.00394736/step Wall: 5303.21, 0.00394736/step, 1.28794 hours remaining, 114.179688 MB of memory in use. ENERGY: 1325400 652.7411 1889.1344 1961.0713 117.4497 1.3650 -1068.4533 0.0000 0.0000 2693.2504 6246.5585 297.4770 3553.3081 6278.1700 299.1639 PRESSURE: 1325600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1325600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1325600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1325600 0 0 0 0 0 0 0 0 0 TIMING: 1325600 CPU: 5304, 0.00394117/step Wall: 5304, 0.00394117/step, 1.2857 hours remaining, 114.179688 MB of memory in use. ENERGY: 1325600 616.4884 1797.9814 1994.5392 111.9559 3.1836 -1052.0660 0.0000 0.0000 2696.4972 6168.5796 297.8356 3472.0825 6202.9323 296.7431 PRESSURE: 1325800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1325800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1325800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1325800 0 0 0 0 0 0 0 0 0 TIMING: 1325800 CPU: 5304.79, 0.00394475/step Wall: 5304.79, 0.00394475/step, 1.28665 hours remaining, 114.179688 MB of memory in use. ENERGY: 1325800 634.4476 1838.9605 1970.5039 110.6685 2.8309 -1059.0523 0.0000 0.0000 2702.4280 6200.7870 298.4907 3498.3590 6232.8995 295.5471 PRESSURE: 1326000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1326000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1326000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1326000 0 0 0 0 0 0 0 0 0 TIMING: 1326000 CPU: 5305.57, 0.0039467/step Wall: 5305.57, 0.0039467/step, 1.28706 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1326000 641.1899 1813.4882 1948.9524 97.7401 1.1665 -1046.1043 0.0000 0.0000 2741.8543 6198.2871 302.8455 3456.4327 6231.2951 297.6224 PRESSURE: 1326200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1326200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1326200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1326200 0 0 0 0 0 0 0 0 0 TIMING: 1326200 CPU: 5306.36, 0.00394495/step Wall: 5306.36, 0.00394495/step, 1.28627 hours remaining, 114.179688 MB of memory in use. ENERGY: 1326200 664.2858 1878.4015 1964.6318 113.5323 2.3796 -1066.6463 0.0000 0.0000 2680.2004 6236.7850 296.0356 3556.5846 6265.9416 299.1878 PRESSURE: 1326400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1326400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1326400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1326400 0 0 0 0 0 0 0 0 0 TIMING: 1326400 CPU: 5307.15, 0.00394627/step Wall: 5307.15, 0.00394627/step, 1.28648 hours remaining, 114.179688 MB of memory in use. ENERGY: 1326400 619.5229 1850.8060 1993.1811 105.6629 2.1986 -1036.2988 0.0000 0.0000 2669.7518 6204.8244 294.8815 3535.0726 6239.5366 297.4246 PRESSURE: 1326600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1326600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1326600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1326600 0 0 0 0 0 0 0 0 0 TIMING: 1326600 CPU: 5307.94, 0.00394158/step Wall: 5307.94, 0.00394158/step, 1.28474 hours remaining, 114.179688 MB of memory in use. ENERGY: 1326600 634.8462 1834.9684 1961.9950 96.6992 1.0925 -1016.0874 0.0000 0.0000 2710.1201 6223.6341 299.3403 3513.5140 6256.8884 298.8399 PRESSURE: 1326800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1326800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1326800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1326800 0 0 0 0 0 0 0 0 0 TIMING: 1326800 CPU: 5308.73, 0.00394477/step Wall: 5308.73, 0.00394477/step, 1.28556 hours remaining, 114.179688 MB of memory in use. ENERGY: 1326800 674.9738 1793.9994 1961.2442 107.5916 1.9178 -1062.9720 0.0000 0.0000 2742.9432 6219.6980 302.9657 3476.7547 6256.6939 298.7858 PRESSURE: 1327000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1327000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1327000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1327000 0 0 0 0 0 0 0 0 0 TIMING: 1327000 CPU: 5309.52, 0.00394722/step Wall: 5309.52, 0.00394722/step, 1.28614 hours remaining, 114.179688 MB of memory in use. ENERGY: 1327000 664.6502 1874.0977 1970.7486 104.6442 1.3770 -1060.7170 0.0000 0.0000 2652.4028 6207.2036 292.9653 3554.8008 6239.7610 297.1196 PRESSURE: 1327200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1327200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1327200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1327200 0 0 0 0 0 0 0 0 0 TIMING: 1327200 CPU: 5310.31, 0.00394651/step Wall: 5310.31, 0.00394651/step, 1.28569 hours remaining, 114.179688 MB of memory in use. ENERGY: 1327200 648.3434 1883.8252 1964.7392 110.2793 1.8951 -1041.4608 0.0000 0.0000 2685.9023 6253.5238 296.6654 3567.6215 6284.3815 298.6044 PRESSURE: 1327400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1327400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1327400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1327400 0 0 0 0 0 0 0 0 0 TIMING: 1327400 CPU: 5311.1, 0.00394257/step Wall: 5311.1, 0.00394257/step, 1.28418 hours remaining, 114.179688 MB of memory in use. ENERGY: 1327400 648.6291 1859.4609 1954.1913 109.9538 1.4110 -1070.3546 0.0000 0.0000 2748.6511 6251.9426 303.5962 3503.2915 6286.2336 300.3163 PRESSURE: 1327600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1327600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1327600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1327600 0 0 0 0 0 0 0 0 0 TIMING: 1327600 CPU: 5311.89, 0.003946/step Wall: 5311.89, 0.003946/step, 1.28508 hours remaining, 114.179688 MB of memory in use. ENERGY: 1327600 673.0986 1866.3666 1986.3424 103.2317 1.8748 -1053.1360 0.0000 0.0000 2671.4881 6249.2663 295.0733 3577.7782 6281.7857 300.4406 PRESSURE: 1327800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1327800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1327800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1327800 0 0 0 0 0 0 0 0 0 TIMING: 1327800 CPU: 5312.68, 0.00394792/step Wall: 5312.68, 0.00394792/step, 1.28549 hours remaining, 114.179688 MB of memory in use. ENERGY: 1327800 626.8363 1889.2720 1971.2522 96.1847 1.8435 -1038.5700 0.0000 0.0000 2735.4715 6282.2902 302.1404 3546.8187 6316.1884 299.0137 PRESSURE: 1328000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1328000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1328000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1328000 0 0 0 0 0 0 0 0 0 TIMING: 1328000 CPU: 5313.47, 0.00394785/step Wall: 5313.47, 0.00394785/step, 1.28524 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1328000 654.3857 1903.0592 1964.6043 100.7698 1.3802 -1071.2495 0.0000 0.0000 2740.3871 6293.3369 302.6834 3552.9498 6325.0998 300.8134 PRESSURE: 1328200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1328200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1328200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1328200 0 0 0 0 0 0 0 0 0 TIMING: 1328200 CPU: 5314.26, 0.00394767/step Wall: 5314.26, 0.00394766/step, 1.28496 hours remaining, 114.179688 MB of memory in use. ENERGY: 1328200 670.9618 1852.0631 1966.9253 103.1015 0.0674 -1056.8271 0.0000 0.0000 2732.7246 6269.0166 301.8370 3536.2920 6303.3449 302.2790 LDB: ============= START OF LOAD BALANCING ============== 5317.21 LDB: ============== END OF LOAD BALANCING =============== 5317.21 LDB: =============== DONE WITH MIGRATION ================ 5317.21 LDB: ============= START OF LOAD BALANCING ============== 5317.61 LDB: ============== END OF LOAD BALANCING =============== 5317.61 LDB: =============== DONE WITH MIGRATION ================ 5317.61 PRESSURE: 1328400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1328400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1328400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1328400 0 0 0 0 0 0 0 0 0 TIMING: 1328400 CPU: 5315.04, 0.00394827/step Wall: 5315.04, 0.00394828/step, 1.28495 hours remaining, 114.179688 MB of memory in use. ENERGY: 1328400 658.6205 1866.7523 2004.2491 121.4069 0.6254 -1085.2523 0.0000 0.0000 2668.9893 6235.3912 294.7973 3566.4019 6266.5648 300.8397 PRESSURE: 1328600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1328600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1328600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1328600 0 0 0 0 0 0 0 0 0 TIMING: 1328600 CPU: 5315.83, 0.00394928/step Wall: 5315.83, 0.00394928/step, 1.28505 hours remaining, 114.179688 MB of memory in use. ENERGY: 1328600 672.0761 1841.4871 1969.0380 97.7490 0.3341 -1077.5741 0.0000 0.0000 2768.3667 6271.4770 305.7738 3503.1103 6308.7462 300.3687 PRESSURE: 1328800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1328800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1328800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1328800 0 0 0 0 0 0 0 0 0 TIMING: 1328800 CPU: 5316.62, 0.00394857/step Wall: 5316.62, 0.00394857/step, 1.2846 hours remaining, 114.179688 MB of memory in use. ENERGY: 1328800 657.8616 1881.2258 1964.5648 107.6099 -0.6243 -1065.6217 0.0000 0.0000 2772.4319 6317.4480 306.2228 3545.0161 6348.2901 302.4596 PRESSURE: 1329000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1329000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1329000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1329000 0 0 0 0 0 0 0 0 0 TIMING: 1329000 CPU: 5317.41, 0.00394778/step Wall: 5317.41, 0.00394778/step, 1.28412 hours remaining, 114.179688 MB of memory in use. ENERGY: 1329000 661.0603 1855.7017 2002.3091 103.3196 -0.6373 -1092.2790 0.0000 0.0000 2744.1720 6273.6464 303.1014 3529.4744 6309.0789 301.6800 PRESSURE: 1329200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1329200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1329200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1329200 0 0 0 0 0 0 0 0 0 TIMING: 1329200 CPU: 5318.2, 0.00394868/step Wall: 5318.2, 0.00394868/step, 1.2842 hours remaining, 114.179688 MB of memory in use. ENERGY: 1329200 663.1550 1847.4787 1984.3040 104.2701 1.5112 -1089.5344 0.0000 0.0000 2717.9295 6229.1141 300.2029 3511.1847 6264.7800 301.6548 PRESSURE: 1329400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1329400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1329400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1329400 0 0 0 0 0 0 0 0 0 TIMING: 1329400 CPU: 5318.99, 0.00394388/step Wall: 5318.99, 0.00394387/step, 1.28242 hours remaining, 114.179688 MB of memory in use. ENERGY: 1329400 663.3498 1846.1640 1976.1707 118.3700 0.4994 -1062.6046 0.0000 0.0000 2707.7292 6249.6785 299.0762 3541.9493 6282.9478 300.2482 PRESSURE: 1329600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1329600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1329600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1329600 0 0 0 0 0 0 0 0 0 TIMING: 1329600 CPU: 5319.78, 0.00394981/step Wall: 5319.78, 0.00394981/step, 1.28413 hours remaining, 114.179688 MB of memory in use. ENERGY: 1329600 691.7762 1837.2139 1938.9240 108.0439 -0.9726 -1108.6504 0.0000 0.0000 2739.3239 6205.6588 302.5660 3466.3349 6240.5356 301.3367 PRESSURE: 1329800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1329800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1329800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1329800 0 0 0 0 0 0 0 0 0 TIMING: 1329800 CPU: 5320.57, 0.00394872/step Wall: 5320.57, 0.00394872/step, 1.28355 hours remaining, 114.179688 MB of memory in use. ENERGY: 1329800 627.9193 1885.1713 1948.9862 102.3017 0.3779 -1079.2064 0.0000 0.0000 2728.3829 6213.9328 301.3575 3485.5499 6246.2852 300.2183 PRESSURE: 1330000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1330000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1330000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1330000 0 0 0 0 0 0 0 0 0 TIMING: 1330000 CPU: 5321.36, 0.00395074/step Wall: 5321.36, 0.00395074/step, 1.28399 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1330000 657.8888 1838.0968 1971.8902 107.5990 1.0905 -1076.5759 0.0000 0.0000 2708.4038 6208.3932 299.1507 3499.9894 6242.7902 299.9830 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1330000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1330000 WRITING COORDINATES TO RESTART FILE AT STEP 1330000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1330000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1330200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1330200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1330200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1330200 0 0 0 0 0 0 0 0 0 TIMING: 1330200 CPU: 5322.18, 0.00409636/step Wall: 5322.18, 0.00409636/step, 1.33109 hours remaining, 114.179688 MB of memory in use. ENERGY: 1330200 663.8206 1820.6342 1991.4248 99.3481 -0.5001 -1092.7590 0.0000 0.0000 2710.5321 6192.5007 299.3858 3481.9686 6227.8558 298.3455 PRESSURE: 1330400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1330400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1330400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1330400 0 0 0 0 0 0 0 0 0 TIMING: 1330400 CPU: 5322.97, 0.00394516/step Wall: 5322.97, 0.00394516/step, 1.28174 hours remaining, 114.179688 MB of memory in use. ENERGY: 1330400 671.9349 1848.9154 1951.2785 110.2929 0.2035 -1055.3318 0.0000 0.0000 2706.9152 6234.2086 298.9863 3527.2934 6269.1927 298.5363 PRESSURE: 1330600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1330600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1330600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1330600 0 0 0 0 0 0 0 0 0 TIMING: 1330600 CPU: 5323.76, 0.00396437/step Wall: 5323.76, 0.00396437/step, 1.28776 hours remaining, 114.179688 MB of memory in use. ENERGY: 1330600 645.9002 1848.4259 1984.3248 105.6014 -0.0272 -1077.2549 0.0000 0.0000 2735.9471 6242.9171 302.1930 3506.9700 6277.2796 300.7910 PRESSURE: 1330800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1330800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1330800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1330800 0 0 0 0 0 0 0 0 0 TIMING: 1330800 CPU: 5324.55, 0.003953/step Wall: 5324.55, 0.003953/step, 1.28385 hours remaining, 114.179688 MB of memory in use. ENERGY: 1330800 640.1086 1869.0592 1980.3916 107.5235 0.2586 -1054.8894 0.0000 0.0000 2703.7739 6246.2261 298.6394 3542.4522 6281.1999 299.5991 PRESSURE: 1331000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1331000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1331000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1331000 0 0 0 0 0 0 0 0 0 TIMING: 1331000 CPU: 5325.34, 0.00395304/step Wall: 5325.34, 0.00395304/step, 1.28364 hours remaining, 114.179688 MB of memory in use. ENERGY: 1331000 688.5366 1822.7072 2000.4482 107.3325 0.4483 -1103.0713 0.0000 0.0000 2723.8564 6240.2578 300.8575 3516.4015 6271.0525 301.1186 PRESSURE: 1331200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1331200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1331200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1331200 0 0 0 0 0 0 0 0 0 TIMING: 1331200 CPU: 5326.13, 0.00394865/step Wall: 5326.13, 0.00394864/step, 1.28199 hours remaining, 114.179688 MB of memory in use. ENERGY: 1331200 644.9031 1864.0182 1980.8034 114.5486 0.7084 -1085.7058 0.0000 0.0000 2692.7393 6212.0152 297.4206 3519.2759 6245.7175 301.8059 PRESSURE: 1331400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1331400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1331400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1331400 0 0 0 0 0 0 0 0 0 TIMING: 1331400 CPU: 5326.92, 0.00394543/step Wall: 5326.92, 0.00394544/step, 1.28073 hours remaining, 114.179688 MB of memory in use. ENERGY: 1331400 685.9821 1901.8560 1962.8600 107.0197 -0.2472 -1099.7421 0.0000 0.0000 2735.8622 6293.5907 302.1836 3557.7285 6324.9364 302.0239 PRESSURE: 1331600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1331600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1331600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1331600 0 0 0 0 0 0 0 0 0 TIMING: 1331600 CPU: 5327.71, 0.00395002/step Wall: 5327.71, 0.00395002/step, 1.282 hours remaining, 114.179688 MB of memory in use. ENERGY: 1331600 624.7392 1891.5325 1967.0900 111.3859 0.6781 -1058.9562 0.0000 0.0000 2710.6800 6247.1494 299.4022 3536.4694 6278.9218 302.1878 PRESSURE: 1331800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1331800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1331800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1331800 0 0 0 0 0 0 0 0 0 TIMING: 1331800 CPU: 5328.5, 0.00394871/step Wall: 5328.5, 0.0039487/step, 1.28135 hours remaining, 114.179688 MB of memory in use. ENERGY: 1331800 635.0615 1889.5797 1961.5469 95.1477 0.1693 -1075.6223 0.0000 0.0000 2759.7276 6265.6105 304.8196 3505.8829 6300.5300 303.1235 PRESSURE: 1332000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1332000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1332000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1332000 0 0 0 0 0 0 0 0 0 TIMING: 1332000 CPU: 5329.29, 0.00394978/step Wall: 5329.29, 0.00394978/step, 1.28148 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1332000 659.0947 1893.7199 1963.6600 100.6324 1.2162 -1075.3554 0.0000 0.0000 2720.5354 6263.5032 300.4907 3542.9678 6296.8883 303.3612 PRESSURE: 1332200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1332200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1332200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1332200 0 0 0 0 0 0 0 0 0 TIMING: 1332200 CPU: 5330.08, 0.00394529/step Wall: 5330.08, 0.00394529/step, 1.27981 hours remaining, 114.179688 MB of memory in use. ENERGY: 1332200 663.4641 1880.6153 1980.9454 100.4825 -0.1706 -1127.2304 0.0000 0.0000 2728.1757 6226.2821 301.3346 3498.1064 6260.7902 300.7121 LDB: ============= START OF LOAD BALANCING ============== 5333.04 LDB: ============== END OF LOAD BALANCING =============== 5333.04 LDB: =============== DONE WITH MIGRATION ================ 5333.04 LDB: ============= START OF LOAD BALANCING ============== 5333.44 LDB: ============== END OF LOAD BALANCING =============== 5333.44 LDB: =============== DONE WITH MIGRATION ================ 5333.44 PRESSURE: 1332400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1332400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1332400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1332400 0 0 0 0 0 0 0 0 0 TIMING: 1332400 CPU: 5330.87, 0.00395392/step Wall: 5330.87, 0.00395392/step, 1.28239 hours remaining, 114.179688 MB of memory in use. ENERGY: 1332400 661.6522 1857.9645 1964.8055 106.2747 -0.3157 -1056.2847 0.0000 0.0000 2737.9836 6272.0802 302.4179 3534.0966 6305.7416 302.0310 PRESSURE: 1332600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1332600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1332600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1332600 0 0 0 0 0 0 0 0 0 TIMING: 1332600 CPU: 5331.66, 0.00395166/step Wall: 5331.66, 0.00395166/step, 1.28143 hours remaining, 114.179688 MB of memory in use. ENERGY: 1332600 636.0994 1882.9359 1986.8447 103.7590 -0.1646 -1051.1504 0.0000 0.0000 2736.6948 6295.0189 302.2756 3558.3241 6329.3819 304.2977 PRESSURE: 1332800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1332800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1332800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1332800 0 0 0 0 0 0 0 0 0 TIMING: 1332800 CPU: 5332.45, 0.0039486/step Wall: 5332.45, 0.0039486/step, 1.28022 hours remaining, 114.179688 MB of memory in use. ENERGY: 1332800 671.3027 1915.0337 1971.5963 102.9247 1.2870 -1093.2078 0.0000 0.0000 2722.8430 6291.7796 300.7456 3568.9366 6323.5697 303.5826 PRESSURE: 1333000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1333000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1333000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1333000 0 0 0 0 0 0 0 0 0 TIMING: 1333000 CPU: 5333.24, 0.00394876/step Wall: 5333.24, 0.00394876/step, 1.28006 hours remaining, 114.179688 MB of memory in use. ENERGY: 1333000 721.3958 1838.2050 1970.1122 108.4481 1.3836 -1068.3265 0.0000 0.0000 2741.4147 6312.6327 302.7969 3571.2180 6348.6760 306.7134 PRESSURE: 1333200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1333200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1333200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1333200 0 0 0 0 0 0 0 0 0 TIMING: 1333200 CPU: 5334.03, 0.00394352/step Wall: 5334.03, 0.00394352/step, 1.27814 hours remaining, 114.179688 MB of memory in use. ENERGY: 1333200 668.5555 1845.0680 1964.1269 102.8216 2.1274 -1089.8440 0.0000 0.0000 2795.1063 6287.9618 308.7273 3492.8555 6321.9169 304.6380 PRESSURE: 1333400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1333400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1333400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1333400 0 0 0 0 0 0 0 0 0 TIMING: 1333400 CPU: 5334.82, 0.0039482/step Wall: 5334.82, 0.0039482/step, 1.27944 hours remaining, 114.179688 MB of memory in use. ENERGY: 1333400 662.9070 1855.1230 1964.2774 109.6054 0.3832 -1088.1586 0.0000 0.0000 2771.3586 6275.4960 306.1043 3504.1373 6311.0406 304.6867 PRESSURE: 1333600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1333600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1333600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1333600 0 0 0 0 0 0 0 0 0 TIMING: 1333600 CPU: 5335.61, 0.00395149/step Wall: 5335.61, 0.00395149/step, 1.28028 hours remaining, 114.179688 MB of memory in use. ENERGY: 1333600 672.9904 1892.4746 1984.8829 102.2506 1.4321 -1052.1556 0.0000 0.0000 2734.4520 6336.3270 302.0278 3601.8750 6368.2442 305.7395 PRESSURE: 1333800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1333800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1333800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1333800 0 0 0 0 0 0 0 0 0 TIMING: 1333800 CPU: 5336.4, 0.00394861/step Wall: 5336.4, 0.00394861/step, 1.27913 hours remaining, 114.179688 MB of memory in use. ENERGY: 1333800 649.1631 1883.3284 1954.1526 116.3687 0.9733 -1077.5417 0.0000 0.0000 2802.7728 6329.2171 309.5741 3526.4444 6366.2592 306.5992 PRESSURE: 1334000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1334000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1334000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1334000 0 0 0 0 0 0 0 0 0 TIMING: 1334000 CPU: 5337.19, 0.00394803/step Wall: 5337.19, 0.00394803/step, 1.27872 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1334000 663.3126 1892.5276 1992.1502 112.7923 1.0974 -1082.0947 0.0000 0.0000 2756.4188 6336.2042 304.4541 3579.7854 6370.0916 308.0850 PRESSURE: 1334200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1334200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1334200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1334200 0 0 0 0 0 0 0 0 0 TIMING: 1334200 CPU: 5337.98, 0.00394163/step Wall: 5337.98, 0.00394163/step, 1.27643 hours remaining, 114.179688 MB of memory in use. ENERGY: 1334200 656.6436 1861.0829 1954.7197 93.6452 0.7610 -1072.5165 0.0000 0.0000 2756.3909 6250.7268 304.4511 3494.3359 6284.1160 303.4399 PRESSURE: 1334400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1334400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1334400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1334400 0 0 0 0 0 0 0 0 0 TIMING: 1334400 CPU: 5338.77, 0.00395728/step Wall: 5338.77, 0.00395728/step, 1.28128 hours remaining, 114.179688 MB of memory in use. ENERGY: 1334400 670.6579 1794.7980 1979.6880 116.8292 0.2153 -1083.5142 0.0000 0.0000 2778.8558 6257.5301 306.9324 3478.6743 6295.2379 301.5825 PRESSURE: 1334600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1334600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1334600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1334600 0 0 0 0 0 0 0 0 0 TIMING: 1334600 CPU: 5339.56, 0.00394637/step Wall: 5339.56, 0.00394637/step, 1.27753 hours remaining, 114.179688 MB of memory in use. ENERGY: 1334600 684.7421 1875.1926 1944.3743 111.6331 -0.5257 -1087.7844 0.0000 0.0000 2747.4831 6275.1150 303.4672 3527.6319 6310.8421 303.3730 PRESSURE: 1334800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1334800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1334800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1334800 0 0 0 0 0 0 0 0 0 TIMING: 1334800 CPU: 5340.35, 0.00394744/step Wall: 5340.35, 0.00394744/step, 1.27765 hours remaining, 114.179688 MB of memory in use. ENERGY: 1334800 653.0100 1869.2468 1972.0126 100.8086 0.3226 -1105.5893 0.0000 0.0000 2733.4296 6223.2410 301.9149 3489.8114 6255.5161 303.3188 PRESSURE: 1335000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1335000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1335000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1335000 0 0 0 0 0 0 0 0 0 TIMING: 1335000 CPU: 5341.14, 0.00394275/step Wall: 5341.14, 0.00394275/step, 1.27592 hours remaining, 114.179688 MB of memory in use. ENERGY: 1335000 635.9798 1858.8099 2014.1426 99.5948 0.5679 -1105.9065 0.0000 0.0000 2714.3113 6217.4998 299.8032 3503.1885 6253.0375 300.0215 PRESSURE: 1335200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1335200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1335200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1335200 0 0 0 0 0 0 0 0 0 TIMING: 1335200 CPU: 5341.93, 0.00394703/step Wall: 5341.93, 0.00394703/step, 1.27708 hours remaining, 114.179688 MB of memory in use. ENERGY: 1335200 647.1156 1885.4807 1995.3039 109.4263 1.3804 -1104.6784 0.0000 0.0000 2684.4655 6218.4940 296.5067 3534.0285 6247.2361 299.3787 PRESSURE: 1335400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1335400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1335400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1335400 0 0 0 0 0 0 0 0 0 TIMING: 1335400 CPU: 5342.72, 0.00394602/step Wall: 5342.72, 0.00394602/step, 1.27654 hours remaining, 114.179688 MB of memory in use. ENERGY: 1335400 621.3995 1838.3042 2015.6654 92.7050 2.3493 -1068.0109 0.0000 0.0000 2710.3587 6212.7713 299.3667 3502.4126 6247.3462 298.9748 PRESSURE: 1335600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1335600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1335600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1335600 0 0 0 0 0 0 0 0 0 TIMING: 1335600 CPU: 5343.51, 0.00394562/step Wall: 5343.51, 0.00394562/step, 1.27619 hours remaining, 114.179688 MB of memory in use. ENERGY: 1335600 629.9202 1851.5033 1989.4509 108.3963 1.1840 -1064.7121 0.0000 0.0000 2716.6239 6232.3665 300.0587 3515.7426 6263.3968 298.9864 PRESSURE: 1335800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1335800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1335800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1335800 0 0 0 0 0 0 0 0 0 TIMING: 1335800 CPU: 5344.29, 0.00394226/step Wall: 5344.29, 0.00394226/step, 1.27488 hours remaining, 114.179688 MB of memory in use. ENERGY: 1335800 637.6798 1846.2347 1986.5664 107.5571 1.9938 -1050.4155 0.0000 0.0000 2680.2363 6209.8527 296.0396 3529.6164 6240.8795 299.0142 PRESSURE: 1336000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1336000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1336000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1336000 0 0 0 0 0 0 0 0 0 TIMING: 1336000 CPU: 5345.08, 0.00394071/step Wall: 5345.08, 0.00394071/step, 1.27416 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1336000 652.9402 1829.4983 1972.7886 110.4158 0.9718 -1066.9632 0.0000 0.0000 2698.5517 6198.2032 298.0626 3499.6515 6233.2251 297.5876 PRESSURE: 1336200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1336200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1336200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1336200 0 0 0 0 0 0 0 0 0 TIMING: 1336200 CPU: 5345.87, 0.0039438/step Wall: 5345.87, 0.0039438/step, 1.27494 hours remaining, 114.179688 MB of memory in use. ENERGY: 1336200 669.1709 1836.4402 1975.0049 97.5562 0.8622 -1051.7629 0.0000 0.0000 2703.1274 6230.3989 298.5680 3527.2715 6263.6696 299.2148 LDB: ============= START OF LOAD BALANCING ============== 5348.83 LDB: ============== END OF LOAD BALANCING =============== 5348.83 LDB: =============== DONE WITH MIGRATION ================ 5348.83 LDB: ============= START OF LOAD BALANCING ============== 5349.23 LDB: ============== END OF LOAD BALANCING =============== 5349.23 LDB: =============== DONE WITH MIGRATION ================ 5349.23 PRESSURE: 1336400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1336400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1336400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1336400 0 0 0 0 0 0 0 0 0 TIMING: 1336400 CPU: 5346.66, 0.00394897/step Wall: 5346.66, 0.00394897/step, 1.27639 hours remaining, 114.179688 MB of memory in use. ENERGY: 1336400 680.7293 1812.4297 1964.9158 107.6622 1.6939 -1063.0099 0.0000 0.0000 2722.4147 6226.8358 300.6983 3504.4211 6259.0821 298.8994 PRESSURE: 1336600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1336600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1336600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1336600 0 0 0 0 0 0 0 0 0 TIMING: 1336600 CPU: 5347.45, 0.00394575/step Wall: 5347.45, 0.00394575/step, 1.27514 hours remaining, 114.179688 MB of memory in use. ENERGY: 1336600 647.6999 1881.3449 1970.6703 97.3376 1.6595 -1070.9368 0.0000 0.0000 2686.5514 6214.3267 296.7371 3527.7752 6245.7857 301.1277 PRESSURE: 1336800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1336800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1336800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1336800 0 0 0 0 0 0 0 0 0 TIMING: 1336800 CPU: 5348.24, 0.00394449/step Wall: 5348.24, 0.00394449/step, 1.27451 hours remaining, 114.179688 MB of memory in use. ENERGY: 1336800 650.0771 1854.9613 1980.9947 104.7358 2.6028 -1076.2907 0.0000 0.0000 2632.1003 6149.1813 290.7228 3517.0811 6175.5599 299.2806 PRESSURE: 1337000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1337000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1337000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1337000 0 0 0 0 0 0 0 0 0 TIMING: 1337000 CPU: 5349.03, 0.00394138/step Wall: 5349.03, 0.00394138/step, 1.27328 hours remaining, 114.179688 MB of memory in use. ENERGY: 1337000 632.3254 1840.2950 1976.4049 114.1462 2.6957 -1085.4263 0.0000 0.0000 2678.3809 6158.8218 295.8346 3480.4409 6188.5916 296.2056 PRESSURE: 1337200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1337200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1337200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1337200 0 0 0 0 0 0 0 0 0 TIMING: 1337200 CPU: 5349.82, 0.00394459/step Wall: 5349.82, 0.00394459/step, 1.2741 hours remaining, 114.179688 MB of memory in use. ENERGY: 1337200 650.3359 1808.1428 1970.1113 109.4631 1.1639 -1078.8845 0.0000 0.0000 2670.8959 6131.2285 295.0079 3460.3326 6164.1309 295.0289 PRESSURE: 1337400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1337400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1337400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1337400 0 0 0 0 0 0 0 0 0 TIMING: 1337400 CPU: 5350.61, 0.00394562/step Wall: 5350.61, 0.00394562/step, 1.27422 hours remaining, 114.179688 MB of memory in use. ENERGY: 1337400 674.0560 1828.2721 1959.7553 116.6932 1.4612 -1125.1215 0.0000 0.0000 2632.6804 6087.7965 290.7869 3455.1161 6120.6000 294.0223 PRESSURE: 1337600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1337600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1337600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1337600 0 0 0 0 0 0 0 0 0 TIMING: 1337600 CPU: 5351.39, 0.00394652/step Wall: 5351.39, 0.00394652/step, 1.27429 hours remaining, 114.179688 MB of memory in use. ENERGY: 1337600 700.8445 1850.0466 1968.4932 103.1267 0.7183 -1098.4280 0.0000 0.0000 2634.3104 6159.1118 290.9669 3524.8014 6191.5941 294.6244 PRESSURE: 1337800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1337800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1337800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1337800 0 0 0 0 0 0 0 0 0 TIMING: 1337800 CPU: 5352.18, 0.00394306/step Wall: 5352.18, 0.00394307/step, 1.27295 hours remaining, 114.179688 MB of memory in use. ENERGY: 1337800 649.8448 1881.8507 1952.3327 106.9106 1.7156 -1092.8606 0.0000 0.0000 2746.6548 6246.4487 303.3757 3499.7939 6278.2694 300.7571 PRESSURE: 1338000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1338000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1338000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1338000 0 0 0 0 0 0 0 0 0 TIMING: 1338000 CPU: 5352.97, 0.00394479/step Wall: 5352.97, 0.00394479/step, 1.27329 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1338000 630.8732 1898.6816 1961.0748 119.6722 2.5224 -1064.2126 0.0000 0.0000 2701.6995 6250.3111 298.4102 3548.6116 6281.5163 302.4340 PRESSURE: 1338200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1338200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1338200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1338200 0 0 0 0 0 0 0 0 0 TIMING: 1338200 CPU: 5353.76, 0.00394657/step Wall: 5353.76, 0.00394657/step, 1.27364 hours remaining, 114.179688 MB of memory in use. ENERGY: 1338200 633.2666 1874.5125 1956.9110 117.8938 2.9396 -1083.4167 0.0000 0.0000 2702.8360 6204.9429 298.5358 3502.1069 6237.3995 299.6089 PRESSURE: 1338400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1338400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1338400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1338400 0 0 0 0 0 0 0 0 0 TIMING: 1338400 CPU: 5354.55, 0.00394517/step Wall: 5354.55, 0.00394517/step, 1.27297 hours remaining, 114.179688 MB of memory in use. ENERGY: 1338400 650.3129 1854.2421 1968.9268 109.0250 1.9984 -1078.8887 0.0000 0.0000 2647.8066 6153.4232 292.4576 3505.6165 6185.3105 297.8083 PRESSURE: 1338600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1338600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1338600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1338600 0 0 0 0 0 0 0 0 0 TIMING: 1338600 CPU: 5355.34, 0.00394538/step Wall: 5355.34, 0.00394538/step, 1.27282 hours remaining, 114.179688 MB of memory in use. ENERGY: 1338600 660.5221 1868.6610 1980.0399 101.4715 1.3188 -1117.9559 0.0000 0.0000 2676.3526 6170.4101 295.6106 3494.0575 6201.7088 297.4642 PRESSURE: 1338800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1338800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1338800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1338800 0 0 0 0 0 0 0 0 0 TIMING: 1338800 CPU: 5356.13, 0.00394262/step Wall: 5356.13, 0.00394261/step, 1.27171 hours remaining, 114.179688 MB of memory in use. ENERGY: 1338800 632.3852 1833.1770 1970.5919 112.9489 2.5728 -1109.7538 0.0000 0.0000 2722.2518 6164.1739 300.6803 3441.9221 6198.7813 298.5317 PRESSURE: 1339000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1339000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1339000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1339000 0 0 0 0 0 0 0 0 0 TIMING: 1339000 CPU: 5356.92, 0.00394531/step Wall: 5356.92, 0.00394531/step, 1.27236 hours remaining, 114.179688 MB of memory in use. ENERGY: 1339000 642.4537 1863.0874 1974.0122 104.7921 2.2882 -1128.2019 0.0000 0.0000 2681.1367 6139.5684 296.1390 3458.4317 6169.9228 295.8364 PRESSURE: 1339200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1339200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1339200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1339200 0 0 0 0 0 0 0 0 0 TIMING: 1339200 CPU: 5357.71, 0.00394508/step Wall: 5357.71, 0.00394508/step, 1.27207 hours remaining, 114.179688 MB of memory in use. ENERGY: 1339200 664.2515 1794.5010 1980.6011 108.3865 2.6554 -1079.0494 0.0000 0.0000 2678.1231 6149.4693 295.8062 3471.3462 6181.3889 295.4099 PRESSURE: 1339400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1339400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1339400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1339400 0 0 0 0 0 0 0 0 0 TIMING: 1339400 CPU: 5358.5, 0.00394508/step Wall: 5358.5, 0.00394508/step, 1.27185 hours remaining, 114.179688 MB of memory in use. ENERGY: 1339400 672.6795 1874.4354 1984.7581 122.3726 1.6816 -1114.8117 0.0000 0.0000 2638.7125 6179.8279 291.4532 3541.1154 6210.4050 295.7017 PRESSURE: 1339600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1339600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1339600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1339600 0 0 0 0 0 0 0 0 0 TIMING: 1339600 CPU: 5359.28, 0.00394368/step Wall: 5359.28, 0.00394368/step, 1.27118 hours remaining, 114.179688 MB of memory in use. ENERGY: 1339600 637.7866 1829.8401 1976.5878 119.5275 1.4896 -1116.2814 0.0000 0.0000 2728.7822 6177.7324 301.4016 3448.9502 6212.8521 298.1738 PRESSURE: 1339800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1339800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1339800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1339800 0 0 0 0 0 0 0 0 0 TIMING: 1339800 CPU: 5360.07, 0.00393891/step Wall: 5360.07, 0.00393891/step, 1.26942 hours remaining, 114.179688 MB of memory in use. ENERGY: 1339800 653.4465 1845.7354 1970.4086 107.9477 0.6766 -1083.9131 0.0000 0.0000 2657.6651 6151.9669 293.5465 3494.3017 6184.2979 298.9096 PRESSURE: 1340000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1340000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1340000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1340000 0 0 0 0 0 0 0 0 0 TIMING: 1340000 CPU: 5360.86, 0.00394609/step Wall: 5360.86, 0.00394609/step, 1.27152 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1340000 638.4472 1843.5929 1984.4761 100.7168 1.1833 -1101.4665 0.0000 0.0000 2685.3101 6152.2597 296.6000 3466.9497 6184.7665 295.6046 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1340000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1340000 WRITING COORDINATES TO RESTART FILE AT STEP 1340000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1340000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1340200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1340200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1340200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1340200 0 0 0 0 0 0 0 0 0 TIMING: 1340200 CPU: 5361.69, 0.00413953/step Wall: 5361.69, 0.00413953/step, 1.33362 hours remaining, 114.179688 MB of memory in use. ENERGY: 1340200 659.6895 1809.8942 1988.2832 115.6734 0.4613 -1124.8354 0.0000 0.0000 2685.1411 6134.3072 296.5813 3449.1662 6164.8214 295.3520 LDB: ============= START OF LOAD BALANCING ============== 5364.65 LDB: ============== END OF LOAD BALANCING =============== 5364.65 LDB: =============== DONE WITH MIGRATION ================ 5364.65 LDB: ============= START OF LOAD BALANCING ============== 5365.04 LDB: ============== END OF LOAD BALANCING =============== 5365.04 LDB: =============== DONE WITH MIGRATION ================ 5365.04 PRESSURE: 1340400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1340400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1340400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1340400 0 0 0 0 0 0 0 0 0 TIMING: 1340400 CPU: 5362.48, 0.00394987/step Wall: 5362.48, 0.00394987/step, 1.2723 hours remaining, 114.179688 MB of memory in use. ENERGY: 1340400 657.0726 1832.4530 1972.2990 120.1546 0.6423 -1128.2693 0.0000 0.0000 2657.9086 6112.2609 293.5734 3454.3523 6145.5881 294.4783 PRESSURE: 1340600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1340600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1340600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1340600 0 0 0 0 0 0 0 0 0 TIMING: 1340600 CPU: 5363.27, 0.00394729/step Wall: 5363.27, 0.00394729/step, 1.27125 hours remaining, 114.179688 MB of memory in use. ENERGY: 1340600 650.7711 1853.5614 1979.7633 121.9681 0.4293 -1111.7556 0.0000 0.0000 2628.9319 6123.6696 290.3728 3494.7377 6155.1898 294.7105 PRESSURE: 1340800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1340800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1340800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1340800 0 0 0 0 0 0 0 0 0 TIMING: 1340800 CPU: 5364.06, 0.0039416/step Wall: 5364.06, 0.0039416/step, 1.2692 hours remaining, 114.179688 MB of memory in use. ENERGY: 1340800 673.0502 1858.5258 1949.7021 106.9420 1.1428 -1101.5719 0.0000 0.0000 2621.4950 6109.2859 289.5514 3487.7910 6140.3387 293.9174 PRESSURE: 1341000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1341000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1341000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1341000 0 0 0 0 0 0 0 0 0 TIMING: 1341000 CPU: 5364.85, 0.00394562/step Wall: 5364.85, 0.00394562/step, 1.27027 hours remaining, 114.179688 MB of memory in use. ENERGY: 1341000 640.5635 1831.1250 1974.0321 95.3006 1.0879 -1074.6245 0.0000 0.0000 2665.5784 6133.0630 294.4206 3467.4846 6166.8861 294.4906 PRESSURE: 1341200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1341200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1341200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1341200 0 0 0 0 0 0 0 0 0 TIMING: 1341200 CPU: 5365.63, 0.00394658/step Wall: 5365.63, 0.00394658/step, 1.27036 hours remaining, 114.179688 MB of memory in use. ENERGY: 1341200 628.9810 1882.2314 1965.7441 104.3327 1.1763 -1081.4133 0.0000 0.0000 2682.5590 6183.6112 296.2961 3501.0522 6215.0625 296.1584 PRESSURE: 1341400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1341400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1341400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1341400 0 0 0 0 0 0 0 0 0 TIMING: 1341400 CPU: 5366.42, 0.00394621/step Wall: 5366.42, 0.00394621/step, 1.27002 hours remaining, 114.179688 MB of memory in use. ENERGY: 1341400 647.3193 1839.3290 1969.4679 95.8795 1.4193 -1070.5855 0.0000 0.0000 2697.8407 6180.6703 297.9840 3482.8295 6213.2976 297.1541 PRESSURE: 1341600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1341600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1341600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1341600 0 0 0 0 0 0 0 0 0 TIMING: 1341600 CPU: 5367.21, 0.00394452/step Wall: 5367.21, 0.00394452/step, 1.26926 hours remaining, 114.179688 MB of memory in use. ENERGY: 1341600 648.8257 1885.7994 1990.5175 101.4280 0.8377 -1070.9705 0.0000 0.0000 2654.8796 6211.3173 293.2388 3556.4377 6243.9844 298.2593 PRESSURE: 1341800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1341800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1341800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1341800 0 0 0 0 0 0 0 0 0 TIMING: 1341800 CPU: 5368, 0.00394238/step Wall: 5368, 0.00394238/step, 1.26835 hours remaining, 114.179688 MB of memory in use. ENERGY: 1341800 643.4814 1796.5979 1991.9791 103.4170 0.8397 -1072.9034 0.0000 0.0000 2726.4559 6189.8675 301.1446 3463.4117 6224.1398 297.8480 PRESSURE: 1342000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1342000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1342000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1342000 0 0 0 0 0 0 0 0 0 TIMING: 1342000 CPU: 5368.79, 0.00394546/step Wall: 5368.79, 0.00394546/step, 1.26912 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1342000 595.6064 1820.6334 1987.9428 108.8654 0.5202 -1047.6271 0.0000 0.0000 2723.8591 6189.8002 300.8578 3465.9411 6222.6274 298.0947 PRESSURE: 1342200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1342200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1342200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1342200 0 0 0 0 0 0 0 0 0 TIMING: 1342200 CPU: 5369.58, 0.00394637/step Wall: 5369.58, 0.00394637/step, 1.2692 hours remaining, 114.179688 MB of memory in use. ENERGY: 1342200 632.1212 1813.8608 1993.5818 116.2438 1.6210 -1094.2505 0.0000 0.0000 2720.9813 6184.1594 300.5400 3463.1782 6216.9136 297.9651 PRESSURE: 1342400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1342400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1342400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1342400 0 0 0 0 0 0 0 0 0 TIMING: 1342400 CPU: 5370.37, 0.00394624/step Wall: 5370.37, 0.00394624/step, 1.26894 hours remaining, 114.179688 MB of memory in use. ENERGY: 1342400 624.9983 1808.0436 1988.7655 107.0457 1.1368 -1089.7899 0.0000 0.0000 2692.9477 6133.1477 297.4436 3440.2000 6168.0512 296.7438 PRESSURE: 1342600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1342600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1342600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1342600 0 0 0 0 0 0 0 0 0 TIMING: 1342600 CPU: 5371.16, 0.0039423/step Wall: 5371.16, 0.0039423/step, 1.26745 hours remaining, 114.179688 MB of memory in use. ENERGY: 1342600 656.1724 1810.8391 1975.0760 109.5569 0.4786 -1060.9941 0.0000 0.0000 2756.7581 6247.8870 304.4916 3491.1289 6282.9521 297.2787 PRESSURE: 1342800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1342800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1342800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1342800 0 0 0 0 0 0 0 0 0 TIMING: 1342800 CPU: 5371.95, 0.00394585/step Wall: 5371.95, 0.00394585/step, 1.26837 hours remaining, 114.179688 MB of memory in use. ENERGY: 1342800 635.3064 1857.3124 1984.6528 118.8597 0.6288 -1053.4527 0.0000 0.0000 2696.1397 6239.4471 297.7961 3543.3074 6272.9901 300.6940 PRESSURE: 1343000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1343000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1343000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1343000 0 0 0 0 0 0 0 0 0 TIMING: 1343000 CPU: 5372.74, 0.00394578/step Wall: 5372.74, 0.00394578/step, 1.26813 hours remaining, 114.179688 MB of memory in use. ENERGY: 1343000 647.5588 1849.8184 1989.8847 112.3698 -0.3439 -1042.7588 0.0000 0.0000 2716.3711 6272.9000 300.0308 3556.5289 6307.0133 300.2823 PRESSURE: 1343200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1343200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1343200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1343200 0 0 0 0 0 0 0 0 0 TIMING: 1343200 CPU: 5373.53, 0.00394665/step Wall: 5373.53, 0.00394665/step, 1.26819 hours remaining, 114.179688 MB of memory in use. ENERGY: 1343200 643.8228 1911.5889 1993.0873 103.4554 0.3553 -1079.7030 0.0000 0.0000 2764.9095 6337.5161 305.3920 3572.6067 6371.7592 303.6967 PRESSURE: 1343400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1343400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1343400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1343400 0 0 0 0 0 0 0 0 0 TIMING: 1343400 CPU: 5374.31, 0.00394614/step Wall: 5374.31, 0.00394614/step, 1.26781 hours remaining, 114.179688 MB of memory in use. ENERGY: 1343400 660.3073 1860.1865 1968.4619 114.7071 0.6367 -1091.5768 0.0000 0.0000 2791.8680 6304.5906 308.3696 3512.7226 6341.6359 305.8759 PRESSURE: 1343600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1343600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1343600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1343600 0 0 0 0 0 0 0 0 0 TIMING: 1343600 CPU: 5375.1, 0.00394189/step Wall: 5375.1, 0.00394189/step, 1.26622 hours remaining, 114.179688 MB of memory in use. ENERGY: 1343600 681.2188 1844.5751 1964.7385 125.9734 -0.0604 -1075.1762 0.0000 0.0000 2744.4091 6285.6783 303.1276 3541.2692 6318.1659 304.7212 PRESSURE: 1343800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1343800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1343800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1343800 0 0 0 0 0 0 0 0 0 TIMING: 1343800 CPU: 5375.89, 0.00394605/step Wall: 5375.89, 0.00394605/step, 1.26734 hours remaining, 114.179688 MB of memory in use. ENERGY: 1343800 660.0804 1916.4459 1978.5172 98.6104 0.7940 -1113.9740 0.0000 0.0000 2690.6560 6231.1300 297.1905 3540.4740 6264.5901 302.2726 PRESSURE: 1344000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1344000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1344000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1344000 0 0 0 0 0 0 0 0 0 TIMING: 1344000 CPU: 5376.68, 0.00394759/step Wall: 5376.68, 0.0039476/step, 1.26762 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1344000 639.2878 1883.5614 2006.8337 101.3309 1.0871 -1112.0601 0.0000 0.0000 2737.9046 6257.9454 302.4092 3520.0408 6292.2579 299.7933 PRESSURE: 1344200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1344200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1344200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1344200 0 0 0 0 0 0 0 0 0 TIMING: 1344200 CPU: 5377.47, 0.00394777/step Wall: 5377.47, 0.00394777/step, 1.26745 hours remaining, 114.179688 MB of memory in use. ENERGY: 1344200 673.0577 1917.5318 1985.1167 107.1232 -0.2515 -1100.7338 0.0000 0.0000 2690.4770 6272.3211 297.1707 3581.8441 6305.8627 303.1519 LDB: ============= START OF LOAD BALANCING ============== 5380.43 LDB: ============== END OF LOAD BALANCING =============== 5380.43 LDB: =============== DONE WITH MIGRATION ================ 5380.43 LDB: ============= START OF LOAD BALANCING ============== 5380.83 LDB: ============== END OF LOAD BALANCING =============== 5380.83 LDB: =============== DONE WITH MIGRATION ================ 5380.83 PRESSURE: 1344400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1344400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1344400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1344400 0 0 0 0 0 0 0 0 0 TIMING: 1344400 CPU: 5378.26, 0.00396604/step Wall: 5378.26, 0.00396604/step, 1.2731 hours remaining, 114.179688 MB of memory in use. ENERGY: 1344400 665.3396 1835.8004 1988.5660 113.4492 -0.5647 -1087.0711 0.0000 0.0000 2723.3089 6238.8283 300.7971 3515.5194 6274.6590 301.7235 PRESSURE: 1344600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1344600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1344600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1344600 0 0 0 0 0 0 0 0 0 TIMING: 1344600 CPU: 5379.05, 0.0039438/step Wall: 5379.05, 0.0039438/step, 1.26574 hours remaining, 114.179688 MB of memory in use. ENERGY: 1344600 672.7365 1865.1525 1959.2207 110.3377 1.4871 -1090.6583 0.0000 0.0000 2709.9316 6228.2079 299.3195 3518.2763 6260.2895 300.9754 PRESSURE: 1344800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1344800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1344800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1344800 0 0 0 0 0 0 0 0 0 TIMING: 1344800 CPU: 5379.84, 0.00394709/step Wall: 5379.84, 0.00394709/step, 1.26658 hours remaining, 114.179688 MB of memory in use. ENERGY: 1344800 616.7797 1859.1770 1986.4096 104.8771 1.5345 -1057.9696 0.0000 0.0000 2663.4000 6174.2084 294.1799 3510.8084 6208.1107 299.4697 PRESSURE: 1345000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1345000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1345000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1345000 0 0 0 0 0 0 0 0 0 TIMING: 1345000 CPU: 5380.63, 0.00394803/step Wall: 5380.63, 0.00394803/step, 1.26666 hours remaining, 114.179688 MB of memory in use. ENERGY: 1345000 642.0263 1816.4051 1990.9611 100.5816 0.5418 -1101.9093 0.0000 0.0000 2697.5072 6146.1137 297.9472 3448.6065 6177.8347 296.2552 PRESSURE: 1345200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1345200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1345200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1345200 0 0 0 0 0 0 0 0 0 TIMING: 1345200 CPU: 5381.42, 0.00394657/step Wall: 5381.42, 0.00394657/step, 1.26597 hours remaining, 114.179688 MB of memory in use. ENERGY: 1345200 657.7155 1824.8336 1991.4764 105.8073 0.8043 -1105.2981 0.0000 0.0000 2711.6613 6187.0002 299.5105 3475.3389 6218.0712 295.8180 PRESSURE: 1345400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1345400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1345400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1345400 0 0 0 0 0 0 0 0 0 TIMING: 1345400 CPU: 5382.21, 0.003942/step Wall: 5382.21, 0.003942/step, 1.26429 hours remaining, 114.179688 MB of memory in use. ENERGY: 1345400 667.1389 1844.4138 1993.5321 121.7201 0.5376 -1084.9743 0.0000 0.0000 2690.0178 6232.3860 297.1200 3542.3682 6262.1496 298.5028 PRESSURE: 1345600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1345600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1345600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1345600 0 0 0 0 0 0 0 0 0 TIMING: 1345600 CPU: 5383, 0.00394818/step Wall: 5383, 0.00394818/step, 1.26605 hours remaining, 114.179688 MB of memory in use. ENERGY: 1345600 639.3652 1863.5963 1981.8131 106.6522 0.2492 -1078.8718 0.0000 0.0000 2699.8625 6212.6667 298.2073 3512.8042 6242.3296 299.7696 PRESSURE: 1345800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1345800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1345800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1345800 0 0 0 0 0 0 0 0 0 TIMING: 1345800 CPU: 5383.79, 0.00396192/step Wall: 5383.79, 0.00396192/step, 1.27024 hours remaining, 114.179688 MB of memory in use. ENERGY: 1345800 694.1958 1866.5462 1962.1670 111.3115 0.4683 -1115.8110 0.0000 0.0000 2672.6045 6191.4822 295.1966 3518.8777 6224.7037 299.8200 PRESSURE: 1346000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1346000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1346000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1346000 0 0 0 0 0 0 0 0 0 TIMING: 1346000 CPU: 5384.58, 0.00395112/step Wall: 5384.58, 0.00395112/step, 1.26655 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1346000 639.9898 1859.8338 1983.1625 115.1971 1.4265 -1104.2462 0.0000 0.0000 2705.4643 6200.8277 298.8261 3495.3634 6233.5820 298.6089 PRESSURE: 1346200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1346200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1346200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1346200 0 0 0 0 0 0 0 0 0 TIMING: 1346200 CPU: 5385.37, 0.0039492/step Wall: 5385.37, 0.0039492/step, 1.26572 hours remaining, 114.179688 MB of memory in use. ENERGY: 1346200 631.9166 1863.7281 1979.8537 97.5904 2.6153 -1090.0530 0.0000 0.0000 2709.2274 6194.8787 299.2417 3485.6512 6227.4517 298.1343 PRESSURE: 1346400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1346400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1346400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1346400 0 0 0 0 0 0 0 0 0 TIMING: 1346400 CPU: 5386.16, 0.00394058/step Wall: 5386.16, 0.00394058/step, 1.26274 hours remaining, 114.179688 MB of memory in use. ENERGY: 1346400 638.8642 1797.5750 1974.2573 95.3274 2.1355 -1091.0988 0.0000 0.0000 2709.3092 6126.3697 299.2507 3417.0605 6160.5088 297.3733 PRESSURE: 1346600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1346600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1346600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1346600 0 0 0 0 0 0 0 0 0 TIMING: 1346600 CPU: 5386.95, 0.00394353/step Wall: 5386.95, 0.00394353/step, 1.26346 hours remaining, 114.179688 MB of memory in use. ENERGY: 1346600 679.3671 1865.0989 1971.0397 105.6730 2.1075 -1065.1072 0.0000 0.0000 2746.0992 6304.2782 303.3143 3558.1791 6337.7463 300.1624 PRESSURE: 1346800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1346800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1346800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1346800 0 0 0 0 0 0 0 0 0 TIMING: 1346800 CPU: 5387.74, 0.00394534/step Wall: 5387.74, 0.00394534/step, 1.26383 hours remaining, 114.179688 MB of memory in use. ENERGY: 1346800 663.5803 1869.6555 1990.7819 115.5278 2.4627 -1078.0398 0.0000 0.0000 2661.2500 6225.2184 293.9425 3563.9684 6255.4634 302.8915 PRESSURE: 1347000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1347000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1347000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1347000 0 0 0 0 0 0 0 0 0 TIMING: 1347000 CPU: 5388.53, 0.00394549/step Wall: 5388.53, 0.00394549/step, 1.26365 hours remaining, 114.179688 MB of memory in use. ENERGY: 1347000 666.6899 1786.9922 2020.1023 108.7666 2.4370 -1101.6606 0.0000 0.0000 2787.4320 6270.7594 307.8796 3483.3274 6307.3487 302.8601 PRESSURE: 1347200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1347200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1347200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1347200 0 0 0 0 0 0 0 0 0 TIMING: 1347200 CPU: 5389.32, 0.00394582/step Wall: 5389.32, 0.00394582/step, 1.26354 hours remaining, 114.179688 MB of memory in use. ENERGY: 1347200 641.1587 1834.8464 1996.2615 111.1036 3.5325 -1086.1445 0.0000 0.0000 2732.5883 6233.3463 301.8220 3500.7581 6267.7574 300.6884 PRESSURE: 1347400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1347400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1347400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1347400 0 0 0 0 0 0 0 0 0 TIMING: 1347400 CPU: 5390.1, 0.0039399/step Wall: 5390.1, 0.0039399/step, 1.26142 hours remaining, 114.179688 MB of memory in use. ENERGY: 1347400 620.0867 1824.9639 1971.7879 111.9788 3.1194 -1106.2630 0.0000 0.0000 2752.0646 6177.7383 303.9732 3425.6738 6211.8442 297.8806 PRESSURE: 1347600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1347600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1347600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1347600 0 0 0 0 0 0 0 0 0 TIMING: 1347600 CPU: 5390.89, 0.00394475/step Wall: 5390.89, 0.00394475/step, 1.26276 hours remaining, 114.179688 MB of memory in use. ENERGY: 1347600 667.4135 1846.1457 1946.4746 95.8247 1.9678 -1100.6054 0.0000 0.0000 2703.0263 6160.2473 298.5568 3457.2210 6192.0595 297.0849 PRESSURE: 1347800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1347800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1347800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1347800 0 0 0 0 0 0 0 0 0 TIMING: 1347800 CPU: 5391.68, 0.00394668/step Wall: 5391.68, 0.00394668/step, 1.26316 hours remaining, 114.179688 MB of memory in use. ENERGY: 1347800 673.8929 1872.7670 1977.0963 99.1088 3.7374 -1101.7508 0.0000 0.0000 2654.1532 6179.0048 293.1586 3524.8516 6209.3195 296.9822 PRESSURE: 1348000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1348000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1348000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1348000 0 0 0 0 0 0 0 0 0 TIMING: 1348000 CPU: 5392.47, 0.00394457/step Wall: 5392.47, 0.00394457/step, 1.26226 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1348000 620.5626 1836.6457 1985.2750 105.3280 4.8215 -1079.4496 0.0000 0.0000 2711.8045 6184.9876 299.5264 3473.1831 6219.7720 298.0363 PRESSURE: 1348200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1348200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1348200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1348200 0 0 0 0 0 0 0 0 0 TIMING: 1348200 CPU: 5393.26, 0.00394006/step Wall: 5393.26, 0.00394006/step, 1.2606 hours remaining, 114.179688 MB of memory in use. ENERGY: 1348200 654.0827 1852.3471 1963.4628 109.0275 3.3822 -1097.4422 0.0000 0.0000 2747.4764 6232.3365 303.4664 3484.8601 6264.0615 299.1851 LDB: ============= START OF LOAD BALANCING ============== 5396.22 LDB: ============== END OF LOAD BALANCING =============== 5396.22 LDB: =============== DONE WITH MIGRATION ================ 5396.22 LDB: ============= START OF LOAD BALANCING ============== 5396.61 LDB: ============== END OF LOAD BALANCING =============== 5396.61 LDB: =============== DONE WITH MIGRATION ================ 5396.61 PRESSURE: 1348400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1348400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1348400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1348400 0 0 0 0 0 0 0 0 0 TIMING: 1348400 CPU: 5394.05, 0.00394827/step Wall: 5394.05, 0.00394827/step, 1.26301 hours remaining, 114.179688 MB of memory in use. ENERGY: 1348400 636.3470 1871.3468 1955.1370 106.2047 2.7004 -1054.6204 0.0000 0.0000 2687.6426 6204.7581 296.8576 3517.1155 6235.4499 299.6724 PRESSURE: 1348600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1348600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1348600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1348600 0 0 0 0 0 0 0 0 0 TIMING: 1348600 CPU: 5394.84, 0.00394351/step Wall: 5394.84, 0.00394351/step, 1.26127 hours remaining, 114.179688 MB of memory in use. ENERGY: 1348600 653.1236 1845.7446 1960.1410 111.5182 1.9349 -1073.1811 0.0000 0.0000 2698.0607 6197.3419 298.0083 3499.2812 6231.2146 299.6616 PRESSURE: 1348800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1348800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1348800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1348800 0 0 0 0 0 0 0 0 0 TIMING: 1348800 CPU: 5395.63, 0.00394772/step Wall: 5395.63, 0.00394772/step, 1.26239 hours remaining, 114.179688 MB of memory in use. ENERGY: 1348800 645.2414 1808.6684 1985.0661 113.2518 3.5594 -1048.4807 0.0000 0.0000 2686.1602 6193.4666 296.6939 3507.3064 6224.6655 298.9144 PRESSURE: 1349000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1349000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1349000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1349000 0 0 0 0 0 0 0 0 0 TIMING: 1349000 CPU: 5396.42, 0.00394839/step Wall: 5396.42, 0.00394839/step, 1.26239 hours remaining, 114.179688 MB of memory in use. ENERGY: 1349000 658.7082 1835.0164 1992.0725 105.4166 2.7531 -1097.7728 0.0000 0.0000 2654.2944 6150.4884 293.1742 3496.1939 6182.1205 298.4515 PRESSURE: 1349200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1349200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1349200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1349200 0 0 0 0 0 0 0 0 0 TIMING: 1349200 CPU: 5397.21, 0.00394219/step Wall: 5397.21, 0.00394218/step, 1.26018 hours remaining, 114.179688 MB of memory in use. ENERGY: 1349200 626.6823 1854.3429 1984.6184 100.1136 2.7844 -1079.0395 0.0000 0.0000 2667.3107 6156.8127 294.6119 3489.5020 6191.3296 296.0695 PRESSURE: 1349400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1349400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1349400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1349400 0 0 0 0 0 0 0 0 0 TIMING: 1349400 CPU: 5397.99, 0.00394718/step Wall: 5397.99, 0.00394719/step, 1.26157 hours remaining, 114.179688 MB of memory in use. ENERGY: 1349400 631.8242 1841.6373 1974.3597 100.6362 3.5909 -1087.0985 0.0000 0.0000 2684.5119 6149.4617 296.5118 3464.9498 6184.3717 295.7449 PRESSURE: 1349600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1349600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1349600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1349600 0 0 0 0 0 0 0 0 0 TIMING: 1349600 CPU: 5398.78, 0.00394779/step Wall: 5398.78, 0.00394779/step, 1.26154 hours remaining, 114.179688 MB of memory in use. ENERGY: 1349600 663.5353 1801.0604 1981.2557 108.2007 3.6584 -1083.8411 0.0000 0.0000 2685.7691 6159.6386 296.6507 3473.8694 6191.9830 296.2761 PRESSURE: 1349800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1349800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1349800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1349800 0 0 0 0 0 0 0 0 0 TIMING: 1349800 CPU: 5399.57, 0.00394773/step Wall: 5399.57, 0.00394773/step, 1.2613 hours remaining, 114.179688 MB of memory in use. ENERGY: 1349800 647.1673 1850.2795 1988.0986 117.4535 2.3225 -1070.7881 0.0000 0.0000 2663.9782 6198.5116 294.2438 3534.5333 6229.5312 297.3796 PRESSURE: 1350000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1350000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1350000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1350000 0 0 0 0 0 0 0 0 0 TIMING: 1350000 CPU: 5400.36, 0.00394617/step Wall: 5400.36, 0.00394617/step, 1.26058 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1350000 673.8211 1816.0794 1964.9740 116.1210 2.6708 -1110.1868 0.0000 0.0000 2745.6566 6209.1361 303.2654 3463.4795 6241.7474 299.4070 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1350000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1350000 WRITING COORDINATES TO RESTART FILE AT STEP 1350000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1350000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1350200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1350200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1350200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1350200 0 0 0 0 0 0 0 0 0 TIMING: 1350200 CPU: 5401.19, 0.00412731/step Wall: 5401.19, 0.00412731/step, 1.31822 hours remaining, 114.179688 MB of memory in use. ENERGY: 1350200 675.5587 1830.0100 1993.1554 105.9617 3.6886 -1119.5561 0.0000 0.0000 2692.5667 6181.3849 297.4015 3488.8182 6213.8336 299.9967 PRESSURE: 1350400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1350400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1350400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1350400 0 0 0 0 0 0 0 0 0 TIMING: 1350400 CPU: 5401.98, 0.00394879/step Wall: 5401.98, 0.00394879/step, 1.26098 hours remaining, 114.179688 MB of memory in use. ENERGY: 1350400 626.5436 1856.2738 1962.7947 108.7697 3.2612 -1103.1074 0.0000 0.0000 2741.0149 6195.5506 302.7527 3454.5357 6230.0833 298.1198 PRESSURE: 1350600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1350600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1350600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1350600 0 0 0 0 0 0 0 0 0 TIMING: 1350600 CPU: 5402.77, 0.0039455/step Wall: 5402.77, 0.00394551/step, 1.25971 hours remaining, 114.179688 MB of memory in use. ENERGY: 1350600 679.3211 1862.9374 1953.3787 100.9717 4.3230 -1085.5379 0.0000 0.0000 2736.8378 6252.2319 302.2914 3515.3941 6284.1522 300.9089 PRESSURE: 1350800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1350800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1350800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1350800 0 0 0 0 0 0 0 0 0 TIMING: 1350800 CPU: 5403.56, 0.00394694/step Wall: 5403.56, 0.00394694/step, 1.25995 hours remaining, 114.179688 MB of memory in use. ENERGY: 1350800 678.9830 1864.3502 1953.1370 109.9991 2.4943 -1069.2067 0.0000 0.0000 2657.6395 6197.3963 293.5437 3539.7568 6228.0594 299.5058 PRESSURE: 1351000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1351000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1351000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1351000 0 0 0 0 0 0 0 0 0 TIMING: 1351000 CPU: 5404.35, 0.00394655/step Wall: 5404.35, 0.00394655/step, 1.25961 hours remaining, 114.179688 MB of memory in use. ENERGY: 1351000 670.2858 1798.4129 1974.4985 107.8838 2.4278 -1134.6979 0.0000 0.0000 2768.4834 6187.2943 305.7867 3418.8109 6221.7177 298.2358 PRESSURE: 1351200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1351200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1351200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1351200 0 0 0 0 0 0 0 0 0 TIMING: 1351200 CPU: 5405.13, 0.0039427/step Wall: 5405.13, 0.0039427/step, 1.25816 hours remaining, 114.179688 MB of memory in use. ENERGY: 1351200 636.6797 1810.1692 1988.4013 100.8021 2.3036 -1079.1024 0.0000 0.0000 2737.4246 6196.6782 302.3562 3459.2536 6229.3622 296.7355 PRESSURE: 1351400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1351400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1351400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1351400 0 0 0 0 0 0 0 0 0 TIMING: 1351400 CPU: 5405.92, 0.0039479/step Wall: 5405.92, 0.0039479/step, 1.2596 hours remaining, 114.179688 MB of memory in use. ENERGY: 1351400 679.6665 1847.2753 1978.8737 111.4032 1.1190 -1116.2321 0.0000 0.0000 2675.2285 6177.3342 295.4864 3502.1056 6208.0826 298.9271 PRESSURE: 1351600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1351600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1351600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1351600 0 0 0 0 0 0 0 0 0 TIMING: 1351600 CPU: 5406.71, 0.00394858/step Wall: 5406.71, 0.00394858/step, 1.2596 hours remaining, 114.179688 MB of memory in use. ENERGY: 1351600 630.8916 1838.1867 1981.1725 115.5804 3.1178 -1089.3372 0.0000 0.0000 2732.0692 6211.6810 301.7647 3479.6117 6247.1756 299.6237 PRESSURE: 1351800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1351800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1351800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1351800 0 0 0 0 0 0 0 0 0 TIMING: 1351800 CPU: 5407.5, 0.00394822/step Wall: 5407.5, 0.00394822/step, 1.25926 hours remaining, 114.179688 MB of memory in use. ENERGY: 1351800 644.2302 1852.6053 1962.3326 124.2428 2.3280 -1128.7503 0.0000 0.0000 2714.7341 6171.7226 299.8499 3456.9885 6205.8627 297.9325 PRESSURE: 1352000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1352000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1352000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1352000 0 0 0 0 0 0 0 0 0 TIMING: 1352000 CPU: 5408.29, 0.0039441/step Wall: 5408.29, 0.0039441/step, 1.25773 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1352000 623.6760 1844.5689 1973.7775 116.9401 2.3491 -1067.5470 0.0000 0.0000 2697.3976 6191.1621 297.9351 3493.7646 6224.1226 298.0522 PRESSURE: 1352200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1352200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1352200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1352200 0 0 0 0 0 0 0 0 0 TIMING: 1352200 CPU: 5409.08, 0.00394864/step Wall: 5409.08, 0.00394864/step, 1.25896 hours remaining, 114.179688 MB of memory in use. ENERGY: 1352200 645.4474 1799.8912 1981.1028 105.8994 2.3408 -1035.4157 0.0000 0.0000 2702.2612 6201.5271 298.4723 3499.2659 6235.2893 299.4793 LDB: ============= START OF LOAD BALANCING ============== 5412.04 LDB: ============== END OF LOAD BALANCING =============== 5412.04 LDB: =============== DONE WITH MIGRATION ================ 5412.04 LDB: ============= START OF LOAD BALANCING ============== 5412.44 LDB: ============== END OF LOAD BALANCING =============== 5412.44 LDB: =============== DONE WITH MIGRATION ================ 5412.44 PRESSURE: 1352400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1352400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1352400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1352400 0 0 0 0 0 0 0 0 0 TIMING: 1352400 CPU: 5409.87, 0.00395295/step Wall: 5409.87, 0.00395295/step, 1.26011 hours remaining, 114.179688 MB of memory in use. ENERGY: 1352400 675.2737 1856.8259 1977.5114 126.3082 2.2075 -1087.3538 0.0000 0.0000 2630.4072 6181.1802 290.5358 3550.7730 6213.5646 298.2773 PRESSURE: 1352600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1352600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1352600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1352600 0 0 0 0 0 0 0 0 0 TIMING: 1352600 CPU: 5410.66, 0.00394794/step Wall: 5410.66, 0.00394794/step, 1.2583 hours remaining, 114.179688 MB of memory in use. ENERGY: 1352600 660.8856 1836.3830 1945.4189 114.6780 1.6420 -1068.1668 0.0000 0.0000 2657.1311 6147.9719 293.4875 3490.8408 6179.8659 295.9651 PRESSURE: 1352800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1352800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1352800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1352800 0 0 0 0 0 0 0 0 0 TIMING: 1352800 CPU: 5411.45, 0.00394892/step Wall: 5411.45, 0.00394892/step, 1.25839 hours remaining, 114.179688 MB of memory in use. ENERGY: 1352800 616.9830 1855.6167 1961.7281 111.6817 1.4973 -1082.2470 0.0000 0.0000 2682.7999 6148.0597 296.3227 3465.2598 6181.4266 295.7835 PRESSURE: 1353000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1353000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1353000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1353000 0 0 0 0 0 0 0 0 0 TIMING: 1353000 CPU: 5412.24, 0.00394394/step Wall: 5412.24, 0.00394394/step, 1.25658 hours remaining, 114.179688 MB of memory in use. ENERGY: 1353000 642.5478 1848.6514 1947.6465 119.0833 1.9743 -1071.3743 0.0000 0.0000 2674.5243 6163.0533 295.4087 3488.5290 6196.2788 297.1666 PRESSURE: 1353200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1353200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1353200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1353200 0 0 0 0 0 0 0 0 0 TIMING: 1353200 CPU: 5413.03, 0.00394878/step Wall: 5413.03, 0.00394878/step, 1.2579 hours remaining, 114.179688 MB of memory in use. ENERGY: 1353200 625.3300 1824.0095 1973.7638 104.9714 2.8810 -1064.4320 0.0000 0.0000 2659.9845 6126.5081 293.8027 3466.5236 6159.4069 293.9970 PRESSURE: 1353400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1353400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1353400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1353400 0 0 0 0 0 0 0 0 0 TIMING: 1353400 CPU: 5413.82, 0.00394833/step Wall: 5413.82, 0.00394833/step, 1.25754 hours remaining, 114.179688 MB of memory in use. ENERGY: 1353400 642.9915 1813.2508 1984.8966 103.6898 3.1529 -1070.1194 0.0000 0.0000 2705.4904 6183.3525 298.8290 3477.8621 6217.5131 296.1210 PRESSURE: 1353600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1353600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1353600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1353600 0 0 0 0 0 0 0 0 0 TIMING: 1353600 CPU: 5414.61, 0.00394885/step Wall: 5414.61, 0.00394885/step, 1.25749 hours remaining, 114.179688 MB of memory in use. ENERGY: 1353600 632.9345 1831.1552 1965.9399 111.5941 0.7563 -1068.8717 0.0000 0.0000 2699.3541 6172.8624 298.1512 3473.5083 6205.1406 297.5642 PRESSURE: 1353800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1353800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1353800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1353800 0 0 0 0 0 0 0 0 0 TIMING: 1353800 CPU: 5415.4, 0.00394961/step Wall: 5415.4, 0.00394961/step, 1.25751 hours remaining, 114.179688 MB of memory in use. ENERGY: 1353800 663.7950 1869.4831 1972.3259 113.3270 1.4254 -1101.5794 0.0000 0.0000 2667.1997 6185.9766 294.5996 3518.7770 6216.1990 296.0792 PRESSURE: 1354000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1354000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1354000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1354000 0 0 0 0 0 0 0 0 0 TIMING: 1354000 CPU: 5416.19, 0.00394348/step Wall: 5416.19, 0.00394348/step, 1.25534 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1354000 634.2953 1846.5112 1954.1276 116.7637 2.2608 -1063.2648 0.0000 0.0000 2721.6940 6212.3879 300.6187 3490.6939 6248.2606 297.5168 PRESSURE: 1354200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1354200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1354200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1354200 0 0 0 0 0 0 0 0 0 TIMING: 1354200 CPU: 5416.98, 0.00394811/step Wall: 5416.98, 0.00394811/step, 1.2566 hours remaining, 114.179688 MB of memory in use. ENERGY: 1354200 653.8708 1835.4846 1964.9262 101.6910 1.3270 -1051.7208 0.0000 0.0000 2648.6068 6154.1856 292.5460 3505.5788 6185.9248 298.6403 PRESSURE: 1354400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1354400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1354400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1354400 0 0 0 0 0 0 0 0 0 TIMING: 1354400 CPU: 5417.77, 0.00394899/step Wall: 5417.77, 0.00394899/step, 1.25666 hours remaining, 114.179688 MB of memory in use. ENERGY: 1354400 678.0522 1829.3002 1974.6357 105.6189 2.3365 -1043.6105 0.0000 0.0000 2668.2503 6214.5833 294.7157 3546.3330 6245.0089 296.7333 PRESSURE: 1354600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1354600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1354600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1354600 0 0 0 0 0 0 0 0 0 TIMING: 1354600 CPU: 5418.56, 0.00395929/step Wall: 5418.56, 0.00395929/step, 1.25971 hours remaining, 114.179688 MB of memory in use. ENERGY: 1354600 639.7269 1854.8013 1945.0732 98.7300 1.6102 -1052.4015 0.0000 0.0000 2746.6153 6234.1554 303.3713 3487.5401 6264.2545 300.7868 PRESSURE: 1354800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1354800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1354800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1354800 0 0 0 0 0 0 0 0 0 TIMING: 1354800 CPU: 5419.35, 0.00394841/step Wall: 5419.35, 0.00394841/step, 1.25603 hours remaining, 114.179688 MB of memory in use. ENERGY: 1354800 684.2335 1803.2817 1980.7330 100.0292 1.0456 -1060.0661 0.0000 0.0000 2740.1035 6249.3603 302.6521 3509.2568 6281.7343 302.2307 PRESSURE: 1355000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1355000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1355000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1355000 0 0 0 0 0 0 0 0 0 TIMING: 1355000 CPU: 5420.14, 0.00394562/step Wall: 5420.14, 0.00394562/step, 1.25492 hours remaining, 114.179688 MB of memory in use. ENERGY: 1355000 637.4345 1876.9984 1966.0272 105.6601 1.9768 -1067.9212 0.0000 0.0000 2675.0791 6195.2549 295.4699 3520.1758 6226.9601 300.3710 PRESSURE: 1355200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1355200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1355200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1355200 0 0 0 0 0 0 0 0 0 TIMING: 1355200 CPU: 5420.93, 0.00395029/step Wall: 5420.93, 0.00395029/step, 1.25619 hours remaining, 114.179688 MB of memory in use. ENERGY: 1355200 636.6907 1860.0359 1972.4406 109.5183 1.6775 -1078.7678 0.0000 0.0000 2762.6059 6264.2012 305.1375 3501.5953 6298.5692 301.6616 PRESSURE: 1355400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1355400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1355400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1355400 0 0 0 0 0 0 0 0 0 TIMING: 1355400 CPU: 5421.72, 0.00395198/step Wall: 5421.72, 0.00395198/step, 1.25651 hours remaining, 114.179688 MB of memory in use. ENERGY: 1355400 656.1200 1854.5582 2001.5420 103.4841 1.3483 -1055.9527 0.0000 0.0000 2735.8352 6296.9350 302.1806 3561.0999 6330.3821 301.8480 PRESSURE: 1355600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1355600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1355600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1355600 0 0 0 0 0 0 0 0 0 TIMING: 1355600 CPU: 5422.51, 0.00395302/step Wall: 5422.51, 0.00395302/step, 1.25662 hours remaining, 114.179688 MB of memory in use. ENERGY: 1355600 667.0578 1846.7984 1985.1214 102.1851 2.1521 -1064.1469 0.0000 0.0000 2684.3033 6223.4713 296.4888 3539.1680 6253.5686 299.8720 PRESSURE: 1355800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1355800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1355800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1355800 0 0 0 0 0 0 0 0 0 TIMING: 1355800 CPU: 5423.3, 0.00394791/step Wall: 5423.3, 0.00394791/step, 1.25478 hours remaining, 114.179688 MB of memory in use. ENERGY: 1355800 638.0782 1822.1763 1970.7796 106.6686 -0.4786 -1072.5303 0.0000 0.0000 2710.1622 6174.8560 299.3450 3464.6939 6208.7707 297.4169 PRESSURE: 1356000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1356000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1356000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1356000 0 0 0 0 0 0 0 0 0 TIMING: 1356000 CPU: 5424.09, 0.00395386/step Wall: 5424.09, 0.00395386/step, 1.25645 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1356000 647.0759 1868.9511 1951.0807 97.3318 1.2500 -1071.1274 0.0000 0.0000 2744.1728 6238.7349 303.1015 3494.5622 6272.6088 298.5244 PRESSURE: 1356200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1356200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1356200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1356200 0 0 0 0 0 0 0 0 0 TIMING: 1356200 CPU: 5424.88, 0.00395223/step Wall: 5424.88, 0.00395223/step, 1.25571 hours remaining, 114.179688 MB of memory in use. ENERGY: 1356200 637.0263 1843.6797 2003.1031 105.2095 1.9191 -1054.9476 0.0000 0.0000 2749.4460 6285.4361 303.6840 3535.9901 6318.6952 301.7245 LDB: ============= START OF LOAD BALANCING ============== 5427.84 LDB: ============== END OF LOAD BALANCING =============== 5427.84 LDB: =============== DONE WITH MIGRATION ================ 5427.84 LDB: ============= START OF LOAD BALANCING ============== 5428.24 LDB: ============== END OF LOAD BALANCING =============== 5428.24 LDB: =============== DONE WITH MIGRATION ================ 5428.24 PRESSURE: 1356400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1356400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1356400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1356400 0 0 0 0 0 0 0 0 0 TIMING: 1356400 CPU: 5425.67, 0.00395668/step Wall: 5425.67, 0.00395668/step, 1.25691 hours remaining, 114.179688 MB of memory in use. ENERGY: 1356400 661.5288 1882.6180 1985.0868 113.6720 2.6101 -1111.8412 0.0000 0.0000 2726.9087 6260.5832 301.1947 3533.6745 6292.5849 301.7439 PRESSURE: 1356600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1356600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1356600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1356600 0 0 0 0 0 0 0 0 0 TIMING: 1356600 CPU: 5426.46, 0.00395377/step Wall: 5426.46, 0.00395377/step, 1.25576 hours remaining, 114.179688 MB of memory in use. ENERGY: 1356600 680.7002 1856.1767 1985.1574 102.6372 2.3726 -1099.6904 0.0000 0.0000 2685.4651 6212.8188 296.6171 3527.3538 6245.9478 298.7795 PRESSURE: 1356800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1356800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1356800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1356800 0 0 0 0 0 0 0 0 0 TIMING: 1356800 CPU: 5427.25, 0.00394714/step Wall: 5427.25, 0.00394714/step, 1.25344 hours remaining, 114.179688 MB of memory in use. ENERGY: 1356800 656.5027 1859.4533 1966.7096 113.7705 1.2265 -1081.4778 0.0000 0.0000 2677.4014 6193.5863 295.7264 3516.1849 6226.7234 297.6854 PRESSURE: 1357000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1357000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1357000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1357000 0 0 0 0 0 0 0 0 0 TIMING: 1357000 CPU: 5428.04, 0.00395146/step Wall: 5428.04, 0.00395146/step, 1.25459 hours remaining, 114.179688 MB of memory in use. ENERGY: 1357000 645.3471 1850.7973 1959.0548 107.3100 1.6821 -1096.5085 0.0000 0.0000 2716.1880 6183.8708 300.0105 3467.6828 6218.8295 297.5067 PRESSURE: 1357200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1357200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1357200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1357200 0 0 0 0 0 0 0 0 0 TIMING: 1357200 CPU: 5428.83, 0.00394969/step Wall: 5428.83, 0.00394969/step, 1.25381 hours remaining, 114.179688 MB of memory in use. ENERGY: 1357200 612.6940 1902.7311 1974.7617 106.5869 2.6834 -1083.5630 0.0000 0.0000 2621.5754 6137.4695 289.5603 3515.8941 6167.8713 297.7061 PRESSURE: 1357400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1357400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1357400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1357400 0 0 0 0 0 0 0 0 0 TIMING: 1357400 CPU: 5429.62, 0.00395092/step Wall: 5429.62, 0.00395092/step, 1.25398 hours remaining, 114.179688 MB of memory in use. ENERGY: 1357400 642.6143 1842.9509 1984.5042 116.5175 2.1880 -1095.4964 0.0000 0.0000 2649.6596 6142.9381 292.6623 3493.2785 6173.6964 295.2842 PRESSURE: 1357600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1357600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1357600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1357600 0 0 0 0 0 0 0 0 0 TIMING: 1357600 CPU: 5430.41, 0.00394993/step Wall: 5430.41, 0.00394993/step, 1.25344 hours remaining, 114.179688 MB of memory in use. ENERGY: 1357600 650.5536 1846.8547 1995.9401 119.0738 2.5163 -1061.7503 0.0000 0.0000 2674.8315 6228.0196 295.4426 3553.1881 6259.0824 298.6254 PRESSURE: 1357800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1357800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1357800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1357800 0 0 0 0 0 0 0 0 0 TIMING: 1357800 CPU: 5431.2, 0.00394742/step Wall: 5431.2, 0.00394742/step, 1.25243 hours remaining, 114.179688 MB of memory in use. ENERGY: 1357800 670.3370 1868.8921 1968.5275 114.3365 0.3307 -1107.8255 0.0000 0.0000 2720.6978 6235.2962 300.5086 3514.5984 6265.9410 299.7897 PRESSURE: 1358000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1358000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1358000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1358000 0 0 0 0 0 0 0 0 0 TIMING: 1358000 CPU: 5431.99, 0.00395051/step Wall: 5431.99, 0.00395051/step, 1.25319 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1358000 670.0695 1921.8936 1946.3725 102.2341 1.4975 -1094.5328 0.0000 0.0000 2704.0281 6251.5625 298.6674 3547.5344 6282.9882 301.1167 PRESSURE: 1358200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1358200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1358200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1358200 0 0 0 0 0 0 0 0 0 TIMING: 1358200 CPU: 5432.78, 0.00395135/step Wall: 5432.78, 0.00395135/step, 1.25324 hours remaining, 114.179688 MB of memory in use. ENERGY: 1358200 673.0853 1875.7283 1953.2860 100.3292 2.0977 -1080.6287 0.0000 0.0000 2695.7717 6219.6696 297.7555 3523.8979 6253.6583 300.4631 PRESSURE: 1358400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1358400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1358400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1358400 0 0 0 0 0 0 0 0 0 TIMING: 1358400 CPU: 5433.57, 0.00395196/step Wall: 5433.57, 0.00395196/step, 1.25321 hours remaining, 114.179688 MB of memory in use. ENERGY: 1358400 684.1927 1871.0747 1960.6031 108.2670 2.8221 -1076.0378 0.0000 0.0000 2725.2143 6276.1362 301.0075 3550.9219 6308.1762 301.1999 PRESSURE: 1358600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1358600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1358600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1358600 0 0 0 0 0 0 0 0 0 TIMING: 1358600 CPU: 5434.36, 0.00395117/step Wall: 5434.36, 0.00395117/step, 1.25274 hours remaining, 114.179688 MB of memory in use. ENERGY: 1358600 668.7520 1905.6858 1937.1641 107.0031 2.9545 -1058.6576 0.0000 0.0000 2764.3583 6327.2602 305.3311 3562.9019 6360.3896 304.0705 PRESSURE: 1358800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1358800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1358800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1358800 0 0 0 0 0 0 0 0 0 TIMING: 1358800 CPU: 5435.15, 0.00394658/step Wall: 5435.15, 0.00394658/step, 1.25107 hours remaining, 114.179688 MB of memory in use. ENERGY: 1358800 677.7559 1889.9891 1971.0804 119.8957 2.1322 -1108.3842 0.0000 0.0000 2750.5521 6303.0211 303.8061 3552.4690 6337.4285 304.6682 PRESSURE: 1359000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1359000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1359000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1359000 0 0 0 0 0 0 0 0 0 TIMING: 1359000 CPU: 5435.94, 0.00395092/step Wall: 5435.94, 0.00395092/step, 1.25222 hours remaining, 114.179688 MB of memory in use. ENERGY: 1359000 654.5962 1875.4558 1987.4597 108.5713 1.9639 -1058.0705 0.0000 0.0000 2748.9621 6318.9385 303.6305 3569.9765 6353.8368 304.5179 PRESSURE: 1359200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1359200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1359200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1359200 0 0 0 0 0 0 0 0 0 TIMING: 1359200 CPU: 5436.73, 0.00395162/step Wall: 5436.73, 0.00395162/step, 1.25223 hours remaining, 114.179688 MB of memory in use. ENERGY: 1359200 661.4405 1847.0885 1989.9819 115.3160 0.5896 -1085.4730 0.0000 0.0000 2806.5474 6335.4909 309.9910 3528.9435 6368.4986 304.5772 PRESSURE: 1359400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1359400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1359400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1359400 0 0 0 0 0 0 0 0 0 TIMING: 1359400 CPU: 5437.52, 0.00395051/step Wall: 5437.52, 0.00395051/step, 1.25165 hours remaining, 114.179688 MB of memory in use. ENERGY: 1359400 658.0925 1913.5929 1982.6190 115.7206 2.1474 -1122.6956 0.0000 0.0000 2750.4074 6299.8842 303.7902 3549.4768 6333.6804 305.0084 PRESSURE: 1359600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1359600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1359600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1359600 0 0 0 0 0 0 0 0 0 TIMING: 1359600 CPU: 5438.31, 0.00394636/step Wall: 5438.31, 0.00394636/step, 1.25012 hours remaining, 114.179688 MB of memory in use. ENERGY: 1359600 639.3656 1825.7483 1980.1642 123.4661 1.8247 -1041.7019 0.0000 0.0000 2806.2636 6335.1308 309.9596 3528.8672 6370.0860 304.3203 PRESSURE: 1359800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1359800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1359800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1359800 0 0 0 0 0 0 0 0 0 TIMING: 1359800 CPU: 5439.1, 0.0039511/step Wall: 5439.1, 0.0039511/step, 1.2514 hours remaining, 114.179688 MB of memory in use. ENERGY: 1359800 666.7341 1843.3796 1988.6058 110.4968 1.2818 -1086.1864 0.0000 0.0000 2699.0813 6223.3930 298.1211 3524.3117 6256.8785 302.8102 PRESSURE: 1360000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1360000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1360000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1360000 0 0 0 0 0 0 0 0 0 TIMING: 1360000 CPU: 5439.89, 0.00395033/step Wall: 5439.89, 0.00395033/step, 1.25094 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1360000 664.2361 1821.9302 1982.2943 108.0191 2.4604 -1081.4744 0.0000 0.0000 2722.5715 6220.0373 300.7156 3497.4658 6253.2568 299.6383 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1360000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1360000 WRITING COORDINATES TO RESTART FILE AT STEP 1360000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1360000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1360200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1360200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1360200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1360200 0 0 0 0 0 0 0 0 0 TIMING: 1360200 CPU: 5440.74, 0.00423406/step Wall: 5440.74, 0.00423406/step, 1.34055 hours remaining, 114.179688 MB of memory in use. ENERGY: 1360200 630.4878 1804.5242 1979.9654 109.9812 1.4544 -1031.4957 0.0000 0.0000 2749.7653 6244.6825 303.7192 3494.9172 6275.1213 300.7077 LDB: ============= START OF LOAD BALANCING ============== 5443.7 LDB: ============== END OF LOAD BALANCING =============== 5443.7 LDB: =============== DONE WITH MIGRATION ================ 5443.7 LDB: ============= START OF LOAD BALANCING ============== 5444.09 LDB: ============== END OF LOAD BALANCING =============== 5444.09 LDB: =============== DONE WITH MIGRATION ================ 5444.09 PRESSURE: 1360400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1360400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1360400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1360400 0 0 0 0 0 0 0 0 0 TIMING: 1360400 CPU: 5441.53, 0.00395591/step Wall: 5441.53, 0.00395591/step, 1.25227 hours remaining, 114.179688 MB of memory in use. ENERGY: 1360400 668.2107 1825.2878 1983.8093 109.4208 2.9815 -1085.9538 0.0000 0.0000 2722.3075 6226.0637 300.6864 3503.7562 6258.7178 299.5281 PRESSURE: 1360600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1360600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1360600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1360600 0 0 0 0 0 0 0 0 0 TIMING: 1360600 CPU: 5442.32, 0.0039437/step Wall: 5442.32, 0.0039437/step, 1.24818 hours remaining, 114.179688 MB of memory in use. ENERGY: 1360600 691.2828 1866.6068 1996.7678 112.0726 1.5171 -1071.7369 0.0000 0.0000 2705.2742 6301.7843 298.8051 3596.5102 6331.5718 300.7502 PRESSURE: 1360800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1360800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1360800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1360800 0 0 0 0 0 0 0 0 0 TIMING: 1360800 CPU: 5443.11, 0.00395052/step Wall: 5443.11, 0.00395052/step, 1.25012 hours remaining, 114.179688 MB of memory in use. ENERGY: 1360800 645.5684 1891.2007 2010.7202 107.3001 1.4486 -1069.1796 0.0000 0.0000 2703.0686 6290.1269 298.5615 3587.0584 6320.9933 302.5929 PRESSURE: 1361000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1361000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1361000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1361000 0 0 0 0 0 0 0 0 0 TIMING: 1361000 CPU: 5443.9, 0.00396703/step Wall: 5443.9, 0.00396703/step, 1.25512 hours remaining, 114.179688 MB of memory in use. ENERGY: 1361000 659.0951 1868.4519 1979.3062 109.9191 1.9332 -1061.8382 0.0000 0.0000 2746.6410 6303.5084 303.3742 3556.8673 6336.7061 302.8008 PRESSURE: 1361200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1361200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1361200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1361200 0 0 0 0 0 0 0 0 0 TIMING: 1361200 CPU: 5444.69, 0.00395263/step Wall: 5444.69, 0.00395263/step, 1.25035 hours remaining, 114.179688 MB of memory in use. ENERGY: 1361200 662.2745 1865.8612 1957.5543 125.2083 2.6359 -1093.1734 0.0000 0.0000 2791.0918 6311.4527 308.2839 3520.3609 6344.5479 303.3334 PRESSURE: 1361400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1361400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1361400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1361400 0 0 0 0 0 0 0 0 0 TIMING: 1361400 CPU: 5445.48, 0.00395164/step Wall: 5445.48, 0.00395164/step, 1.24982 hours remaining, 114.179688 MB of memory in use. ENERGY: 1361400 687.0334 1896.5501 1979.3262 111.6964 2.2237 -1067.4407 0.0000 0.0000 2715.6906 6325.0797 299.9556 3609.3891 6355.5880 303.1614 PRESSURE: 1361600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1361600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1361600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1361600 0 0 0 0 0 0 0 0 0 TIMING: 1361600 CPU: 5446.27, 0.0039432/step Wall: 5446.27, 0.0039432/step, 1.24693 hours remaining, 114.179688 MB of memory in use. ENERGY: 1361600 644.1410 1862.2931 1952.4534 104.5011 2.9162 -1078.2355 0.0000 0.0000 2787.2219 6275.2912 307.8564 3488.0693 6311.7466 304.5186 PRESSURE: 1361800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1361800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1361800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1361800 0 0 0 0 0 0 0 0 0 TIMING: 1361800 CPU: 5447.06, 0.00395009/step Wall: 5447.06, 0.00395009/step, 1.24889 hours remaining, 114.179688 MB of memory in use. ENERGY: 1361800 651.9476 1828.0320 1979.9619 122.9690 3.2047 -1058.9601 0.0000 0.0000 2716.4770 6243.6321 300.0424 3527.1551 6278.0321 301.8014 PRESSURE: 1362000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1362000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1362000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1362000 0 0 0 0 0 0 0 0 0 TIMING: 1362000 CPU: 5447.85, 0.00394897/step Wall: 5447.85, 0.00394897/step, 1.24831 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1362000 678.9675 1865.8819 2013.0933 105.1493 2.4882 -1095.1129 0.0000 0.0000 2745.3469 6315.8143 303.2312 3570.4674 6349.5703 302.0816 PRESSURE: 1362200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1362200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1362200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1362200 0 0 0 0 0 0 0 0 0 TIMING: 1362200 CPU: 5448.64, 0.00395056/step Wall: 5448.64, 0.00395056/step, 1.24859 hours remaining, 114.179688 MB of memory in use. ENERGY: 1362200 627.2803 1881.1978 2012.7419 106.7992 0.8704 -1101.1229 0.0000 0.0000 2775.2247 6302.9916 306.5313 3527.7668 6339.4144 303.8718 PRESSURE: 1362400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1362400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1362400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1362400 0 0 0 0 0 0 0 0 0 TIMING: 1362400 CPU: 5449.43, 0.00394989/step Wall: 5449.43, 0.00394989/step, 1.24817 hours remaining, 114.179688 MB of memory in use. ENERGY: 1362400 645.4855 1868.8672 2002.8100 118.0709 1.5738 -1119.0439 0.0000 0.0000 2709.8635 6227.6271 299.3120 3517.7635 6261.2121 301.5118 PRESSURE: 1362600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1362600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1362600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1362600 0 0 0 0 0 0 0 0 0 TIMING: 1362600 CPU: 5450.22, 0.0039465/step Wall: 5450.22, 0.0039465/step, 1.24688 hours remaining, 114.179688 MB of memory in use. ENERGY: 1362600 668.2343 1816.5331 2018.7502 115.6424 1.6041 -1071.5054 0.0000 0.0000 2699.1297 6248.3884 298.1264 3549.2587 6279.7120 299.9298 PRESSURE: 1362800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1362800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1362800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1362800 0 0 0 0 0 0 0 0 0 TIMING: 1362800 CPU: 5451.01, 0.00395147/step Wall: 5451.01, 0.00395147/step, 1.24823 hours remaining, 114.179688 MB of memory in use. ENERGY: 1362800 619.8796 1844.7896 2001.7306 97.4319 1.0839 -1091.3214 0.0000 0.0000 2756.9877 6230.5819 304.5170 3473.5942 6262.8730 301.9327 PRESSURE: 1363000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1363000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1363000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1363000 0 0 0 0 0 0 0 0 0 TIMING: 1363000 CPU: 5451.8, 0.00395015/step Wall: 5451.8, 0.00395015/step, 1.24759 hours remaining, 114.179688 MB of memory in use. ENERGY: 1363000 658.0136 1871.8295 1960.2206 101.5163 3.2038 -1097.1185 0.0000 0.0000 2690.4456 6188.1109 297.1672 3497.6653 6218.7184 299.5841 PRESSURE: 1363200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1363200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1363200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1363200 0 0 0 0 0 0 0 0 0 TIMING: 1363200 CPU: 5452.59, 0.00394996/step Wall: 5452.59, 0.00394996/step, 1.24731 hours remaining, 114.179688 MB of memory in use. ENERGY: 1363200 657.4738 1820.9516 1998.7669 112.1187 2.9060 -1107.0933 0.0000 0.0000 2745.4980 6230.6218 303.2479 3485.1238 6264.8880 299.8581 PRESSURE: 1363400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1363400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1363400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1363400 0 0 0 0 0 0 0 0 0 TIMING: 1363400 CPU: 5453.38, 0.00394515/step Wall: 5453.38, 0.00394515/step, 1.24557 hours remaining, 114.179688 MB of memory in use. ENERGY: 1363400 691.3608 1845.0444 1981.8988 106.2122 2.2006 -1122.7924 0.0000 0.0000 2758.5794 6262.5037 304.6928 3503.9243 6296.4518 300.3347 PRESSURE: 1363600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1363600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1363600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1363600 0 0 0 0 0 0 0 0 0 TIMING: 1363600 CPU: 5454.17, 0.00394874/step Wall: 5454.17, 0.00394873/step, 1.24648 hours remaining, 114.179688 MB of memory in use. ENERGY: 1363600 619.3186 1841.4101 1987.1104 122.4491 1.8041 -1075.0377 0.0000 0.0000 2688.6101 6185.6646 296.9645 3497.0545 6217.6922 299.3981 PRESSURE: 1363800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1363800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1363800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1363800 0 0 0 0 0 0 0 0 0 TIMING: 1363800 CPU: 5454.96, 0.00394882/step Wall: 5454.96, 0.00394882/step, 1.24629 hours remaining, 114.179688 MB of memory in use. ENERGY: 1363800 648.3345 1892.3074 1971.6438 117.8296 1.0951 -1091.0057 0.0000 0.0000 2649.9552 6190.1597 292.6949 3540.2046 6220.4603 297.8950 PRESSURE: 1364000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1364000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1364000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1364000 0 0 0 0 0 0 0 0 0 TIMING: 1364000 CPU: 5455.75, 0.00394976/step Wall: 5455.75, 0.00394975/step, 1.24637 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1364000 651.0335 1827.0395 1983.2212 111.0650 1.0465 -1101.5383 0.0000 0.0000 2720.6722 6192.5396 300.5058 3471.8674 6227.3591 299.1635 PRESSURE: 1364200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1364200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1364200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1364200 0 0 0 0 0 0 0 0 0 TIMING: 1364200 CPU: 5456.54, 0.00394976/step Wall: 5456.54, 0.00394976/step, 1.24615 hours remaining, 114.179688 MB of memory in use. ENERGY: 1364200 675.5533 1844.1680 1950.5096 120.0749 1.2319 -1119.0591 0.0000 0.0000 2649.3390 6121.8176 292.6269 3472.4786 6154.9414 297.7985 LDB: ============= START OF LOAD BALANCING ============== 5459.5 LDB: ============== END OF LOAD BALANCING =============== 5459.5 LDB: =============== DONE WITH MIGRATION ================ 5459.5 LDB: ============= START OF LOAD BALANCING ============== 5459.89 LDB: ============== END OF LOAD BALANCING =============== 5459.89 LDB: =============== DONE WITH MIGRATION ================ 5459.89 PRESSURE: 1364400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1364400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1364400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1364400 0 0 0 0 0 0 0 0 0 TIMING: 1364400 CPU: 5457.33, 0.00395075/step Wall: 5457.33, 0.00395075/step, 1.24624 hours remaining, 114.179688 MB of memory in use. ENERGY: 1364400 650.8925 1864.1212 1953.3617 94.7203 1.1606 -1116.3514 0.0000 0.0000 2690.4739 6138.3787 297.1703 3447.9048 6171.9749 294.2214 PRESSURE: 1364600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1364600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1364600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1364600 0 0 0 0 0 0 0 0 0 TIMING: 1364600 CPU: 5458.12, 0.00395078/step Wall: 5458.12, 0.00395078/step, 1.24603 hours remaining, 114.179688 MB of memory in use. ENERGY: 1364600 633.2888 1832.4366 2004.7012 99.2414 1.5281 -1074.6689 0.0000 0.0000 2712.5287 6209.0561 299.6064 3496.5273 6243.8797 295.9748 PRESSURE: 1364800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1364800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1364800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1364800 0 0 0 0 0 0 0 0 0 TIMING: 1364800 CPU: 5458.91, 0.00395911/step Wall: 5458.91, 0.00395911/step, 1.24844 hours remaining, 114.179688 MB of memory in use. ENERGY: 1364800 642.3837 1822.5607 1987.4749 101.0358 3.2762 -1100.8398 0.0000 0.0000 2672.0060 6127.8974 295.1305 3455.8914 6158.0438 295.9488 PRESSURE: 1365000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1365000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1365000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1365000 0 0 0 0 0 0 0 0 0 TIMING: 1365000 CPU: 5459.7, 0.00394958/step Wall: 5459.7, 0.00394958/step, 1.24522 hours remaining, 114.179688 MB of memory in use. ENERGY: 1365000 659.7193 1826.3248 1970.5679 110.2926 2.1704 -1096.0871 0.0000 0.0000 2651.7041 6124.6919 292.8881 3472.9878 6154.0164 294.3908 PRESSURE: 1365200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1365200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1365200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1365200 0 0 0 0 0 0 0 0 0 TIMING: 1365200 CPU: 5460.49, 0.00394843/step Wall: 5460.49, 0.00394843/step, 1.24463 hours remaining, 114.179688 MB of memory in use. ENERGY: 1365200 641.6398 1811.6715 1998.7779 113.4974 2.2147 -1070.7256 0.0000 0.0000 2623.3479 6120.4235 289.7561 3497.0756 6149.8927 293.1594 PRESSURE: 1365400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1365400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1365400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1365400 0 0 0 0 0 0 0 0 0 TIMING: 1365400 CPU: 5461.28, 0.00394638/step Wall: 5461.28, 0.00394638/step, 1.24377 hours remaining, 114.179688 MB of memory in use. ENERGY: 1365400 624.9000 1820.2819 1976.0014 111.4899 3.4304 -1075.8181 0.0000 0.0000 2660.5063 6120.7919 293.8603 3460.2856 6152.3735 292.9607 PRESSURE: 1365600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1365600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1365600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1365600 0 0 0 0 0 0 0 0 0 TIMING: 1365600 CPU: 5462.07, 0.00395106/step Wall: 5462.07, 0.00395106/step, 1.24502 hours remaining, 114.179688 MB of memory in use. ENERGY: 1365600 645.3607 1791.5595 1997.2768 116.0313 1.1331 -1097.2817 0.0000 0.0000 2644.9346 6099.0143 292.1404 3454.0797 6131.2354 292.9251 PRESSURE: 1365800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1365800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1365800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1365800 0 0 0 0 0 0 0 0 0 TIMING: 1365800 CPU: 5462.86, 0.00395001/step Wall: 5462.86, 0.00395001/step, 1.24447 hours remaining, 114.179688 MB of memory in use. ENERGY: 1365800 652.2351 1830.9336 1986.6631 95.8648 0.3826 -1091.1917 0.0000 0.0000 2679.8198 6154.7074 295.9936 3474.8876 6185.2443 294.0169 PRESSURE: 1366000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1366000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1366000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1366000 0 0 0 0 0 0 0 0 0 TIMING: 1366000 CPU: 5463.65, 0.00394935/step Wall: 5463.65, 0.00394935/step, 1.24404 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1366000 685.5973 1889.0236 1994.6599 109.2014 0.7937 -1095.3575 0.0000 0.0000 2649.6634 6233.5818 292.6627 3583.9184 6263.5474 297.2751 PRESSURE: 1366200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1366200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1366200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1366200 0 0 0 0 0 0 0 0 0 TIMING: 1366200 CPU: 5464.44, 0.00395115/step Wall: 5464.44, 0.00395115/step, 1.24439 hours remaining, 114.179688 MB of memory in use. ENERGY: 1366200 627.2731 1845.0977 1973.6200 113.1688 1.1356 -1060.8078 0.0000 0.0000 2680.5272 6180.0146 296.0717 3499.4874 6217.2060 300.6806 PRESSURE: 1366400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1366400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1366400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1366400 0 0 0 0 0 0 0 0 0 TIMING: 1366400 CPU: 5465.23, 0.0039458/step Wall: 5465.23, 0.0039458/step, 1.24249 hours remaining, 114.179688 MB of memory in use. ENERGY: 1366400 636.3371 1854.9846 1959.9821 112.9836 0.9198 -1086.7639 0.0000 0.0000 2732.7019 6211.1452 301.8345 3478.4433 6244.6836 298.5240 PRESSURE: 1366600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1366600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1366600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1366600 0 0 0 0 0 0 0 0 0 TIMING: 1366600 CPU: 5466.02, 0.00395137/step Wall: 5466.02, 0.00395137/step, 1.24402 hours remaining, 114.179688 MB of memory in use. ENERGY: 1366600 635.0992 1849.0885 1979.9151 107.6425 1.0373 -1134.4962 0.0000 0.0000 2763.9574 6202.2438 305.2868 3438.2864 6236.6131 299.4476 PRESSURE: 1366800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1366800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1366800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1366800 0 0 0 0 0 0 0 0 0 TIMING: 1366800 CPU: 5466.81, 0.00395221/step Wall: 5466.81, 0.00395221/step, 1.24407 hours remaining, 114.179688 MB of memory in use. ENERGY: 1366800 663.2045 1775.7554 1993.2292 107.4124 0.6802 -1069.2996 0.0000 0.0000 2771.3057 6242.2878 306.0984 3470.9821 6278.5465 301.2188 PRESSURE: 1367000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1367000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1367000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1367000 0 0 0 0 0 0 0 0 0 TIMING: 1367000 CPU: 5467.6, 0.00395337/step Wall: 5467.6, 0.00395337/step, 1.24421 hours remaining, 114.179688 MB of memory in use. ENERGY: 1367000 658.5455 1872.0952 1962.4485 96.7243 1.7816 -1075.8817 0.0000 0.0000 2699.0832 6214.7965 298.1213 3515.7133 6246.4023 300.3804 PRESSURE: 1367200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1367200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1367200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1367200 0 0 0 0 0 0 0 0 0 TIMING: 1367200 CPU: 5468.39, 0.00394886/step Wall: 5468.39, 0.00394886/step, 1.24257 hours remaining, 114.179688 MB of memory in use. ENERGY: 1367200 621.0673 1852.1737 1982.1763 109.1315 1.9567 -1044.5532 0.0000 0.0000 2676.0868 6198.0392 295.5812 3521.9524 6228.2551 299.1299 PRESSURE: 1367400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1367400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1367400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1367400 0 0 0 0 0 0 0 0 0 TIMING: 1367400 CPU: 5469.18, 0.00395455/step Wall: 5469.18, 0.00395455/step, 1.24415 hours remaining, 114.179688 MB of memory in use. ENERGY: 1367400 667.0446 1797.3179 1970.3376 102.6723 2.1090 -1073.2227 0.0000 0.0000 2716.6651 6182.9237 300.0632 3466.2586 6216.2636 298.3726 PRESSURE: 1367600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1367600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1367600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1367600 0 0 0 0 0 0 0 0 0 TIMING: 1367600 CPU: 5469.97, 0.00394995/step Wall: 5469.97, 0.00394995/step, 1.24248 hours remaining, 114.179688 MB of memory in use. ENERGY: 1367600 618.8934 1849.3127 1983.6739 104.7409 1.4153 -1072.6554 0.0000 0.0000 2695.1123 6180.4931 297.6827 3485.3808 6212.8892 297.6102 PRESSURE: 1367800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1367800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1367800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1367800 0 0 0 0 0 0 0 0 0 TIMING: 1367800 CPU: 5470.76, 0.00395258/step Wall: 5470.76, 0.00395258/step, 1.24309 hours remaining, 114.179688 MB of memory in use. ENERGY: 1367800 599.3098 1828.5609 1949.3600 102.5319 1.5660 -1049.4391 0.0000 0.0000 2698.8142 6130.7037 298.0915 3431.8896 6164.5173 294.9361 PRESSURE: 1368000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1368000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1368000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1368000 0 0 0 0 0 0 0 0 0 TIMING: 1368000 CPU: 5471.55, 0.00395497/step Wall: 5471.55, 0.00395497/step, 1.24362 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1368000 633.7311 1825.8285 1986.6069 113.2889 1.3635 -1060.8559 0.0000 0.0000 2644.7887 6144.7516 292.1243 3499.9629 6173.8850 293.7824 PRESSURE: 1368200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1368200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1368200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1368200 0 0 0 0 0 0 0 0 0 TIMING: 1368200 CPU: 5472.34, 0.0039471/step Wall: 5472.34, 0.0039471/step, 1.24092 hours remaining, 114.179688 MB of memory in use. ENERGY: 1368200 658.4795 1805.9041 1983.6980 106.5402 1.8902 -1049.5132 0.0000 0.0000 2649.4616 6156.4603 292.6404 3506.9987 6188.3978 294.4009 LDB: ============= START OF LOAD BALANCING ============== 5475.3 LDB: ============== END OF LOAD BALANCING =============== 5475.3 LDB: =============== DONE WITH MIGRATION ================ 5475.3 LDB: ============= START OF LOAD BALANCING ============== 5475.7 LDB: ============== END OF LOAD BALANCING =============== 5475.7 LDB: =============== DONE WITH MIGRATION ================ 5475.7 PRESSURE: 1368400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1368400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1368400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1368400 0 0 0 0 0 0 0 0 0 TIMING: 1368400 CPU: 5473.14, 0.00395858/step Wall: 5473.14, 0.00395858/step, 1.24431 hours remaining, 114.179688 MB of memory in use. ENERGY: 1368400 613.1988 1826.5251 1973.1568 112.4249 0.1835 -1086.9990 0.0000 0.0000 2657.7839 6096.2739 293.5596 3438.4901 6128.2793 294.8836 PRESSURE: 1368600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1368600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1368600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1368600 0 0 0 0 0 0 0 0 0 TIMING: 1368600 CPU: 5473.93, 0.00395208/step Wall: 5473.93, 0.00395208/step, 1.24205 hours remaining, 114.179688 MB of memory in use. ENERGY: 1368600 639.9173 1787.9284 1978.0651 110.4259 2.1336 -1080.5758 0.0000 0.0000 2692.5869 6130.4814 297.4037 3437.8945 6161.2222 293.3579 PRESSURE: 1368800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1368800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1368800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1368800 0 0 0 0 0 0 0 0 0 TIMING: 1368800 CPU: 5474.72, 0.00395113/step Wall: 5474.72, 0.00395113/step, 1.24153 hours remaining, 114.179688 MB of memory in use. ENERGY: 1368800 633.9620 1882.6504 1974.1937 108.6786 0.4156 -1097.7416 0.0000 0.0000 2612.7317 6114.8904 288.5835 3502.1587 6147.2056 294.8500 PRESSURE: 1369000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1369000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1369000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1369000 0 0 0 0 0 0 0 0 0 TIMING: 1369000 CPU: 5475.51, 0.00395224/step Wall: 5475.51, 0.00395224/step, 1.24166 hours remaining, 114.179688 MB of memory in use. ENERGY: 1369000 673.2232 1787.1458 1973.1453 107.2817 0.0141 -1106.1238 0.0000 0.0000 2628.8491 6063.5354 290.3637 3434.6862 6093.4362 292.0618 PRESSURE: 1369200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1369200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1369200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1369200 0 0 0 0 0 0 0 0 0 TIMING: 1369200 CPU: 5476.3, 0.00394624/step Wall: 5476.3, 0.00394624/step, 1.23956 hours remaining, 114.179688 MB of memory in use. ENERGY: 1369200 651.5766 1815.4737 1955.3205 101.9952 -0.7684 -1066.2837 0.0000 0.0000 2609.7213 6067.0352 288.2510 3457.3139 6098.3160 292.3217 PRESSURE: 1369400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1369400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1369400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1369400 0 0 0 0 0 0 0 0 0 TIMING: 1369400 CPU: 5477.09, 0.00395072/step Wall: 5477.09, 0.00395072/step, 1.24074 hours remaining, 114.179688 MB of memory in use. ENERGY: 1369400 622.0536 1816.0566 1991.1210 118.5299 1.1446 -1086.9666 0.0000 0.0000 2691.3791 6153.3183 297.2703 3461.9392 6187.6098 293.7657 PRESSURE: 1369600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1369600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1369600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1369600 0 0 0 0 0 0 0 0 0 TIMING: 1369600 CPU: 5477.88, 0.00394905/step Wall: 5477.88, 0.00394905/step, 1.24 hours remaining, 114.179688 MB of memory in use. ENERGY: 1369600 677.7899 1756.3548 1985.9001 118.9397 -0.5860 -1092.4018 0.0000 0.0000 2714.2875 6160.2841 299.8006 3445.9967 6197.2454 296.0858 PRESSURE: 1369800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1369800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1369800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1369800 0 0 0 0 0 0 0 0 0 TIMING: 1369800 CPU: 5478.67, 0.00395051/step Wall: 5478.67, 0.00395051/step, 1.24024 hours remaining, 114.179688 MB of memory in use. ENERGY: 1369800 690.2731 1804.3990 1944.5272 101.0500 0.2965 -1064.9982 0.0000 0.0000 2691.4017 6166.9494 297.2728 3475.5477 6198.9531 296.3430 PRESSURE: 1370000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1370000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1370000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1370000 0 0 0 0 0 0 0 0 0 TIMING: 1370000 CPU: 5479.46, 0.00395272/step Wall: 5479.46, 0.00395272/step, 1.24072 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1370000 642.2908 1794.1800 2014.1770 112.4232 -0.5275 -1094.2343 0.0000 0.0000 2699.1050 6167.4142 298.1237 3468.3093 6202.4893 296.4170 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1370000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1370000 WRITING COORDINATES TO RESTART FILE AT STEP 1370000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1370000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1370200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1370200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1370200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1370200 0 0 0 0 0 0 0 0 0 TIMING: 1370200 CPU: 5480.28, 0.00411672/step Wall: 5480.28, 0.00411672/step, 1.29196 hours remaining, 114.179688 MB of memory in use. ENERGY: 1370200 658.4255 1832.7263 1961.5476 105.9033 -0.2043 -1104.4864 0.0000 0.0000 2727.2313 6181.1433 301.2303 3453.9120 6215.5403 297.3185 PRESSURE: 1370400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1370400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1370400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1370400 0 0 0 0 0 0 0 0 0 TIMING: 1370400 CPU: 5481.07, 0.00395278/step Wall: 5481.07, 0.00395278/step, 1.24029 hours remaining, 114.179688 MB of memory in use. ENERGY: 1370400 670.4257 1789.9661 1971.2823 117.7782 1.9458 -1057.7439 0.0000 0.0000 2658.0392 6151.6934 293.5878 3493.6543 6182.4830 296.1632 PRESSURE: 1370600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1370600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1370600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1370600 0 0 0 0 0 0 0 0 0 TIMING: 1370600 CPU: 5481.86, 0.00395141/step Wall: 5481.86, 0.00395141/step, 1.23965 hours remaining, 114.179688 MB of memory in use. ENERGY: 1370600 658.5005 1736.6098 2004.3489 101.5152 1.3795 -1081.4718 0.0000 0.0000 2684.7573 6105.6395 296.5389 3420.8821 6142.6845 294.3424 PRESSURE: 1370800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1370800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1370800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1370800 0 0 0 0 0 0 0 0 0 TIMING: 1370800 CPU: 5482.65, 0.00395303/step Wall: 5482.65, 0.00395303/step, 1.23993 hours remaining, 114.179688 MB of memory in use. ENERGY: 1370800 633.2237 1824.6680 1990.7819 108.4392 0.8401 -1124.9769 0.0000 0.0000 2672.0653 6105.0412 295.1371 3432.9759 6140.0635 293.2476 PRESSURE: 1371000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1371000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1371000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1371000 0 0 0 0 0 0 0 0 0 TIMING: 1371000 CPU: 5483.44, 0.00394796/step Wall: 5483.44, 0.00394796/step, 1.23812 hours remaining, 114.179688 MB of memory in use. ENERGY: 1371000 620.0521 1819.2157 1971.1812 106.6470 0.1311 -1116.6439 0.0000 0.0000 2704.9436 6105.5269 298.7686 3400.5832 6139.2131 293.2878 PRESSURE: 1371200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1371200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1371200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1371200 0 0 0 0 0 0 0 0 0 TIMING: 1371200 CPU: 5484.23, 0.00395104/step Wall: 5484.23, 0.00395104/step, 1.23887 hours remaining, 114.179688 MB of memory in use. ENERGY: 1371200 653.3388 1824.2222 1986.0214 105.6782 0.9736 -1077.4103 0.0000 0.0000 2604.3298 6097.1536 287.6555 3492.8239 6127.1364 292.1596 PRESSURE: 1371400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1371400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1371400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1371400 0 0 0 0 0 0 0 0 0 TIMING: 1371400 CPU: 5485.02, 0.00395227/step Wall: 5485.02, 0.00395227/step, 1.23904 hours remaining, 114.179688 MB of memory in use. ENERGY: 1371400 645.5698 1856.6792 1992.1074 111.2148 2.2072 -1092.7326 0.0000 0.0000 2560.4985 6075.5444 282.8142 3515.0459 6104.3414 291.0943 PRESSURE: 1371600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1371600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1371600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1371600 0 0 0 0 0 0 0 0 0 TIMING: 1371600 CPU: 5485.81, 0.00395259/step Wall: 5485.81, 0.00395259/step, 1.23892 hours remaining, 114.179688 MB of memory in use. ENERGY: 1371600 671.1682 1795.8755 1987.1484 108.0416 0.9147 -1109.9581 0.0000 0.0000 2646.2832 6099.4736 292.2894 3453.1904 6131.0618 292.8382 PRESSURE: 1371800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1371800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1371800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1371800 0 0 0 0 0 0 0 0 0 TIMING: 1371800 CPU: 5486.6, 0.00395044/step Wall: 5486.6, 0.00395044/step, 1.23802 hours remaining, 114.179688 MB of memory in use. ENERGY: 1371800 649.5369 1785.1416 1969.9226 103.2602 0.7442 -1089.0686 0.0000 0.0000 2662.8892 6082.4261 294.1235 3419.5369 6115.5394 292.4926 PRESSURE: 1372000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1372000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1372000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1372000 0 0 0 0 0 0 0 0 0 TIMING: 1372000 CPU: 5487.39, 0.00394724/step Wall: 5487.39, 0.00394724/step, 1.2368 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1372000 661.6100 1812.8106 1948.6899 97.7328 1.7496 -1069.0372 0.0000 0.0000 2661.7053 6115.2611 293.9928 3453.5558 6146.4401 293.3753 PRESSURE: 1372200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1372200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1372200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1372200 0 0 0 0 0 0 0 0 0 TIMING: 1372200 CPU: 5488.18, 0.00395068/step Wall: 5488.18, 0.00395068/step, 1.23766 hours remaining, 114.179688 MB of memory in use. ENERGY: 1372200 606.6103 1826.7033 2018.8304 108.8086 1.1558 -1084.1778 0.0000 0.0000 2627.3553 6105.2858 290.1987 3477.9305 6137.8066 292.8602 LDB: ============= START OF LOAD BALANCING ============== 5491.14 LDB: ============== END OF LOAD BALANCING =============== 5491.14 LDB: =============== DONE WITH MIGRATION ================ 5491.14 LDB: ============= START OF LOAD BALANCING ============== 5491.54 LDB: ============== END OF LOAD BALANCING =============== 5491.54 LDB: =============== DONE WITH MIGRATION ================ 5491.54 PRESSURE: 1372400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1372400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1372400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1372400 0 0 0 0 0 0 0 0 0 TIMING: 1372400 CPU: 5488.97, 0.00395579/step Wall: 5488.97, 0.00395579/step, 1.23904 hours remaining, 114.179688 MB of memory in use. ENERGY: 1372400 695.2833 1774.6630 1949.4757 108.1959 1.4902 -1083.0500 0.0000 0.0000 2668.0668 6114.1249 294.6954 3446.0581 6148.0266 293.9305 PRESSURE: 1372600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1372600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1372600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1372600 0 0 0 0 0 0 0 0 0 TIMING: 1372600 CPU: 5489.76, 0.00395059/step Wall: 5489.76, 0.00395059/step, 1.23719 hours remaining, 114.179688 MB of memory in use. ENERGY: 1372600 612.3815 1842.9004 1973.5556 116.6420 1.7969 -1092.6971 0.0000 0.0000 2649.0509 6103.6302 292.5950 3454.5793 6136.7023 293.0527 PRESSURE: 1372800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1372800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1372800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1372800 0 0 0 0 0 0 0 0 0 TIMING: 1372800 CPU: 5490.55, 0.00395033/step Wall: 5490.55, 0.00395033/step, 1.23689 hours remaining, 114.179688 MB of memory in use. ENERGY: 1372800 659.5047 1850.1479 1956.0228 94.4840 1.2452 -1090.4933 0.0000 0.0000 2626.3612 6097.2725 290.0889 3470.9114 6126.7894 293.3111 PRESSURE: 1373000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1373000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1373000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1373000 0 0 0 0 0 0 0 0 0 TIMING: 1373000 CPU: 5491.34, 0.00394747/step Wall: 5491.34, 0.00394747/step, 1.23578 hours remaining, 114.179688 MB of memory in use. ENERGY: 1373000 667.0427 1811.5240 1965.2713 101.4586 1.4003 -1068.1647 0.0000 0.0000 2671.7106 6150.2427 295.0979 3478.5322 6180.2851 294.4686 PRESSURE: 1373200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1373200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1373200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1373200 0 0 0 0 0 0 0 0 0 TIMING: 1373200 CPU: 5492.13, 0.00395162/step Wall: 5492.13, 0.00395162/step, 1.23686 hours remaining, 114.179688 MB of memory in use. ENERGY: 1373200 659.0188 1802.6533 1994.9274 102.8509 1.0966 -1064.5098 0.0000 0.0000 2668.2398 6164.2769 294.7145 3496.0371 6199.4177 295.5385 PRESSURE: 1373400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1373400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1373400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1373400 0 0 0 0 0 0 0 0 0 TIMING: 1373400 CPU: 5492.92, 0.00395015/step Wall: 5492.92, 0.00395015/step, 1.23618 hours remaining, 114.179688 MB of memory in use. ENERGY: 1373400 609.2854 1842.1863 1982.7121 109.3391 0.8464 -1070.4803 0.0000 0.0000 2713.3856 6187.2745 299.7010 3473.8889 6220.8049 296.1529 PRESSURE: 1373600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1373600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1373600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1373600 0 0 0 0 0 0 0 0 0 TIMING: 1373600 CPU: 5493.71, 0.00395125/step Wall: 5493.71, 0.00395125/step, 1.2363 hours remaining, 114.179688 MB of memory in use. ENERGY: 1373600 642.6889 1849.7033 1970.0783 100.8530 1.7360 -1068.6069 0.0000 0.0000 2714.1179 6210.5703 299.7819 3496.4525 6244.5192 297.7941 PRESSURE: 1373800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1373800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1373800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1373800 0 0 0 0 0 0 0 0 0 TIMING: 1373800 CPU: 5494.5, 0.00395224/step Wall: 5494.5, 0.00395224/step, 1.23639 hours remaining, 114.179688 MB of memory in use. ENERGY: 1373800 655.3530 1856.1552 1978.4721 111.7738 1.1779 -1113.0819 0.0000 0.0000 2736.4442 6226.2943 302.2479 3489.8502 6259.9016 299.8275 PRESSURE: 1374000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1374000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1374000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1374000 0 0 0 0 0 0 0 0 0 TIMING: 1374000 CPU: 5495.29, 0.00394747/step Wall: 5495.29, 0.00394747/step, 1.23468 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1374000 649.9956 1869.7778 1974.5894 104.7800 -0.1601 -1075.3352 0.0000 0.0000 2663.0462 6186.6938 294.1409 3523.6476 6216.5897 298.8966 PRESSURE: 1374200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1374200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1374200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1374200 0 0 0 0 0 0 0 0 0 TIMING: 1374200 CPU: 5496.08, 0.00395084/step Wall: 5496.08, 0.00395084/step, 1.23552 hours remaining, 114.179688 MB of memory in use. ENERGY: 1374200 634.3685 1864.4836 1995.7469 117.3515 -0.2110 -1081.3837 0.0000 0.0000 2707.7787 6238.1344 299.0817 3530.3557 6270.4670 298.1586 PRESSURE: 1374400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1374400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1374400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1374400 0 0 0 0 0 0 0 0 0 TIMING: 1374400 CPU: 5496.87, 0.00394991/step Wall: 5496.87, 0.00394991/step, 1.235 hours remaining, 114.179688 MB of memory in use. ENERGY: 1374400 644.8183 1833.3688 1953.8051 112.8714 0.0298 -1044.9257 0.0000 0.0000 2706.5735 6206.5412 298.9486 3499.9677 6240.7385 299.4708 PRESSURE: 1374600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1374600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1374600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1374600 0 0 0 0 0 0 0 0 0 TIMING: 1374600 CPU: 5497.66, 0.00395113/step Wall: 5497.66, 0.00395112/step, 1.23517 hours remaining, 114.179688 MB of memory in use. ENERGY: 1374600 691.6981 1782.1546 2004.3240 109.1959 0.7365 -1049.5732 0.0000 0.0000 2729.9046 6268.4405 301.5256 3538.5359 6300.1021 299.5489 PRESSURE: 1374800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1374800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1374800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1374800 0 0 0 0 0 0 0 0 0 TIMING: 1374800 CPU: 5498.45, 0.00394701/step Wall: 5498.45, 0.00394702/step, 1.23366 hours remaining, 114.179688 MB of memory in use. ENERGY: 1374800 635.7867 1865.2625 1988.1797 100.2306 1.5768 -1069.0220 0.0000 0.0000 2716.5303 6238.5445 300.0483 3522.0143 6270.1299 300.9307 PRESSURE: 1375000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1375000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1375000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1375000 0 0 0 0 0 0 0 0 0 TIMING: 1375000 CPU: 5499.25, 0.00396454/step Wall: 5499.25, 0.00396454/step, 1.23892 hours remaining, 114.179688 MB of memory in use. ENERGY: 1375000 646.5004 1870.1194 1973.4805 101.2455 0.0804 -1082.3214 0.0000 0.0000 2724.3561 6233.4608 300.9127 3509.1047 6264.6601 300.9513 PRESSURE: 1375200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1375200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1375200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1375200 0 0 0 0 0 0 0 0 0 TIMING: 1375200 CPU: 5500.04, 0.00395048/step Wall: 5500.04, 0.00395048/step, 1.23431 hours remaining, 114.179688 MB of memory in use. ENERGY: 1375200 661.7007 1824.0326 1964.5427 103.4673 0.5887 -1040.1223 0.0000 0.0000 2678.3735 6192.5832 295.8338 3514.2097 6228.3638 298.9208 PRESSURE: 1375400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1375400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1375400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1375400 0 0 0 0 0 0 0 0 0 TIMING: 1375400 CPU: 5500.83, 0.0039486/step Wall: 5500.83, 0.0039486/step, 1.2335 hours remaining, 114.179688 MB of memory in use. ENERGY: 1375400 691.1572 1841.5025 1992.4626 107.7573 -0.0643 -1060.3100 0.0000 0.0000 2687.1791 6259.6844 296.8064 3572.5052 6293.3350 298.4883 PRESSURE: 1375600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1375600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1375600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1375600 0 0 0 0 0 0 0 0 0 TIMING: 1375600 CPU: 5501.62, 0.00395001/step Wall: 5501.62, 0.00395001/step, 1.23372 hours remaining, 114.179688 MB of memory in use. ENERGY: 1375600 641.9509 1845.5206 1970.9567 107.3440 0.6784 -1108.7260 0.0000 0.0000 2723.5887 6181.3133 300.8280 3457.7246 6216.1097 298.5261 PRESSURE: 1375800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1375800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1375800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1375800 0 0 0 0 0 0 0 0 0 TIMING: 1375800 CPU: 5502.4, 0.00394737/step Wall: 5502.4, 0.00394737/step, 1.23268 hours remaining, 114.179688 MB of memory in use. ENERGY: 1375800 704.6502 1878.6680 1955.4735 116.2996 -0.0132 -1098.7581 0.0000 0.0000 2680.3167 6236.6367 296.0484 3556.3200 6266.8195 299.1000 PRESSURE: 1376000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1376000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1376000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1376000 0 0 0 0 0 0 0 0 0 TIMING: 1376000 CPU: 5503.2, 0.00395082/step Wall: 5503.2, 0.00395082/step, 1.23354 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1376000 621.6876 1835.7182 1995.6491 100.9359 -0.0460 -1075.9687 0.0000 0.0000 2749.8223 6227.7984 303.7255 3477.9761 6264.9104 299.2996 PRESSURE: 1376200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1376200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1376200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1376200 0 0 0 0 0 0 0 0 0 TIMING: 1376200 CPU: 5503.99, 0.00396391/step Wall: 5503.99, 0.00396391/step, 1.2374 hours remaining, 114.179688 MB of memory in use. ENERGY: 1376200 673.4010 1855.6667 1993.6676 106.7164 -0.1720 -1083.4384 0.0000 0.0000 2717.0722 6262.9135 300.1082 3545.8413 6297.1978 301.2222 LDB: ============= START OF LOAD BALANCING ============== 5506.95 LDB: ============== END OF LOAD BALANCING =============== 5506.95 LDB: =============== DONE WITH MIGRATION ================ 5506.95 LDB: ============= START OF LOAD BALANCING ============== 5507.34 LDB: ============== END OF LOAD BALANCING =============== 5507.34 LDB: =============== DONE WITH MIGRATION ================ 5507.34 PRESSURE: 1376400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1376400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1376400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1376400 0 0 0 0 0 0 0 0 0 TIMING: 1376400 CPU: 5504.78, 0.00395938/step Wall: 5504.78, 0.00395938/step, 1.23577 hours remaining, 114.179688 MB of memory in use. ENERGY: 1376400 688.0322 1839.3782 2009.1021 103.2893 1.8423 -1075.5608 0.0000 0.0000 2749.8959 6315.9791 303.7337 3566.0833 6349.2111 302.6956 PRESSURE: 1376600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1376600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1376600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1376600 0 0 0 0 0 0 0 0 0 TIMING: 1376600 CPU: 5505.57, 0.00394983/step Wall: 5505.57, 0.00394983/step, 1.23257 hours remaining, 114.179688 MB of memory in use. ENERGY: 1376600 672.6117 1900.9193 1961.8050 119.5778 -0.4648 -1085.4291 0.0000 0.0000 2739.2654 6308.2853 302.5595 3569.0199 6341.9123 303.6128 PRESSURE: 1376800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1376800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1376800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1376800 0 0 0 0 0 0 0 0 0 TIMING: 1376800 CPU: 5506.36, 0.00394602/step Wall: 5506.36, 0.00394602/step, 1.23116 hours remaining, 114.179688 MB of memory in use. ENERGY: 1376800 641.3750 1807.8527 2005.9916 105.7639 -0.3108 -1082.9456 0.0000 0.0000 2765.9667 6243.6935 305.5087 3477.7268 6280.2480 301.6281 PRESSURE: 1377000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1377000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1377000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1377000 0 0 0 0 0 0 0 0 0 TIMING: 1377000 CPU: 5507.15, 0.00395135/step Wall: 5507.15, 0.00395135/step, 1.2326 hours remaining, 114.179688 MB of memory in use. ENERGY: 1377000 643.5252 1876.6657 2003.9792 115.0063 0.7201 -1085.8076 0.0000 0.0000 2648.6263 6202.7152 292.5482 3554.0889 6232.3024 298.7958 PRESSURE: 1377200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1377200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1377200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1377200 0 0 0 0 0 0 0 0 0 TIMING: 1377200 CPU: 5507.94, 0.00395025/step Wall: 5507.94, 0.00395025/step, 1.23204 hours remaining, 114.179688 MB of memory in use. ENERGY: 1377200 655.7296 1860.1968 1970.8121 102.9780 0.4924 -1079.6220 0.0000 0.0000 2772.2586 6282.8455 306.2037 3510.5869 6316.4434 301.0267 PRESSURE: 1377400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1377400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1377400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1377400 0 0 0 0 0 0 0 0 0 TIMING: 1377400 CPU: 5508.73, 0.00395196/step Wall: 5508.73, 0.00395196/step, 1.23235 hours remaining, 114.179688 MB of memory in use. ENERGY: 1377400 693.7970 1882.1278 1984.3108 112.0274 0.8686 -1067.9686 0.0000 0.0000 2711.3920 6316.5550 299.4808 3605.1630 6349.3955 303.4346 PRESSURE: 1377600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1377600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1377600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1377600 0 0 0 0 0 0 0 0 0 TIMING: 1377600 CPU: 5509.52, 0.00395193/step Wall: 5509.52, 0.00395193/step, 1.23212 hours remaining, 114.179688 MB of memory in use. ENERGY: 1377600 669.4150 1829.9610 1971.0805 120.6087 0.4204 -1019.5969 0.0000 0.0000 2717.0995 6288.9883 300.1112 3571.8887 6322.6078 304.2249 PRESSURE: 1377800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1377800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1377800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1377800 0 0 0 0 0 0 0 0 0 TIMING: 1377800 CPU: 5510.31, 0.00394691/step Wall: 5510.31, 0.00394691/step, 1.23034 hours remaining, 114.179688 MB of memory in use. ENERGY: 1377800 671.4874 1834.9048 1966.0774 109.2290 0.4049 -1050.5383 0.0000 0.0000 2776.6098 6308.1751 306.6843 3531.5653 6341.8426 303.5908 PRESSURE: 1378000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1378000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1378000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1378000 0 0 0 0 0 0 0 0 0 TIMING: 1378000 CPU: 5511.1, 0.00395174/step Wall: 5511.1, 0.00395174/step, 1.23163 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1378000 656.1393 1893.7125 1980.0700 106.0116 0.1650 -1069.3121 0.0000 0.0000 2762.0114 6328.7977 305.0718 3566.7864 6362.3955 303.2092 PRESSURE: 1378200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1378200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1378200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1378200 0 0 0 0 0 0 0 0 0 TIMING: 1378200 CPU: 5511.89, 0.00395088/step Wall: 5511.89, 0.00395088/step, 1.23114 hours remaining, 114.179688 MB of memory in use. ENERGY: 1378200 675.1129 1919.2074 1970.9724 121.7312 0.4783 -1040.6857 0.0000 0.0000 2728.2833 6375.0998 301.3465 3646.8166 6402.5957 306.7675 PRESSURE: 1378400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1378400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1378400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1378400 0 0 0 0 0 0 0 0 0 TIMING: 1378400 CPU: 5512.68, 0.00395186/step Wall: 5512.68, 0.00395186/step, 1.23122 hours remaining, 114.179688 MB of memory in use. ENERGY: 1378400 644.9586 1854.9241 1978.3483 111.7892 0.0319 -1021.5187 0.0000 0.0000 2735.9849 6304.5182 302.1971 3568.5334 6337.8053 307.2656 PRESSURE: 1378600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1378600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1378600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1378600 0 0 0 0 0 0 0 0 0 TIMING: 1378600 CPU: 5513.47, 0.00394847/step Wall: 5513.47, 0.00394847/step, 1.22995 hours remaining, 114.179688 MB of memory in use. ENERGY: 1378600 635.2231 1898.9617 1983.4308 104.9429 -0.0977 -1035.5851 0.0000 0.0000 2733.5432 6320.4189 301.9275 3586.8758 6351.2767 304.5185 PRESSURE: 1378800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1378800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1378800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1378800 0 0 0 0 0 0 0 0 0 TIMING: 1378800 CPU: 5514.26, 0.00395065/step Wall: 5514.26, 0.00395065/step, 1.23041 hours remaining, 114.179688 MB of memory in use. ENERGY: 1378800 651.2847 1819.2031 1977.8933 90.4035 1.4427 -1054.4902 0.0000 0.0000 2792.3070 6278.0442 308.4181 3485.7371 6310.7045 303.8874 PRESSURE: 1379000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1379000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1379000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1379000 0 0 0 0 0 0 0 0 0 TIMING: 1379000 CPU: 5515.05, 0.0039519/step Wall: 5515.05, 0.0039519/step, 1.23058 hours remaining, 114.179688 MB of memory in use. ENERGY: 1379000 611.9040 1855.8718 1985.3970 113.6306 0.4259 -1045.1453 0.0000 0.0000 2732.6460 6254.7301 301.8284 3522.0841 6287.8460 302.6502 PRESSURE: 1379200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1379200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1379200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1379200 0 0 0 0 0 0 0 0 0 TIMING: 1379200 CPU: 5515.84, 0.0039583/step Wall: 5515.84, 0.0039583/step, 1.23235 hours remaining, 114.179688 MB of memory in use. ENERGY: 1379200 639.6859 1824.6497 1979.5173 110.6666 -0.9351 -1072.9322 0.0000 0.0000 2761.0567 6241.7089 304.9664 3480.6523 6279.0991 301.7413 PRESSURE: 1379400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1379400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1379400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1379400 0 0 0 0 0 0 0 0 0 TIMING: 1379400 CPU: 5516.63, 0.00395332/step Wall: 5516.63, 0.00395332/step, 1.23058 hours remaining, 114.179688 MB of memory in use. ENERGY: 1379400 655.1056 1830.3517 1967.8820 109.8670 0.7486 -1090.0819 0.0000 0.0000 2731.5771 6205.4502 301.7103 3473.8731 6238.2884 299.8004 PRESSURE: 1379600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1379600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1379600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1379600 0 0 0 0 0 0 0 0 0 TIMING: 1379600 CPU: 5517.42, 0.00394974/step Wall: 5517.42, 0.00394974/step, 1.22925 hours remaining, 114.179688 MB of memory in use. ENERGY: 1379600 640.5545 1899.0819 1960.4833 110.3785 0.6467 -1060.8963 0.0000 0.0000 2663.3501 6213.5987 294.1744 3550.2486 6246.2786 297.6920 PRESSURE: 1379800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1379800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1379800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1379800 0 0 0 0 0 0 0 0 0 TIMING: 1379800 CPU: 5518.21, 0.00395347/step Wall: 5518.21, 0.00395347/step, 1.23019 hours remaining, 114.179688 MB of memory in use. ENERGY: 1379800 643.4575 1846.8429 1950.0624 103.2286 1.3393 -1063.3493 0.0000 0.0000 2764.1966 6245.7781 305.3132 3481.5815 6284.2597 299.2149 PRESSURE: 1380000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1380000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1380000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1380000 0 0 0 0 0 0 0 0 0 TIMING: 1380000 CPU: 5519, 0.00395269/step Wall: 5519, 0.00395269/step, 1.22973 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1380000 638.6515 1820.5836 1969.4447 114.2840 2.1545 -1046.8866 0.0000 0.0000 2790.5794 6288.8111 308.2273 3498.2317 6322.6855 301.5053 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1380000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1380000 WRITING COORDINATES TO RESTART FILE AT STEP 1380000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1380000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1380200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1380200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1380200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1380200 0 0 0 0 0 0 0 0 0 TIMING: 1380200 CPU: 5519.84, 0.00419018/step Wall: 5519.84, 0.00419018/step, 1.30338 hours remaining, 114.179688 MB of memory in use. ENERGY: 1380200 669.4370 1858.9975 1973.3757 107.8028 -0.8654 -1063.0077 0.0000 0.0000 2727.8813 6273.6213 301.3021 3545.7400 6307.4487 303.5592 LDB: ============= START OF LOAD BALANCING ============== 5522.8 LDB: ============== END OF LOAD BALANCING =============== 5522.8 LDB: =============== DONE WITH MIGRATION ================ 5522.8 LDB: ============= START OF LOAD BALANCING ============== 5523.2 LDB: ============== END OF LOAD BALANCING =============== 5523.2 LDB: =============== DONE WITH MIGRATION ================ 5523.2 PRESSURE: 1380400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1380400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1380400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1380400 0 0 0 0 0 0 0 0 0 TIMING: 1380400 CPU: 5520.63, 0.00395705/step Wall: 5520.63, 0.00395705/step, 1.23064 hours remaining, 114.179688 MB of memory in use. ENERGY: 1380400 697.3534 1897.6230 1972.9747 107.9323 0.9058 -1100.5195 0.0000 0.0000 2706.4485 6282.7183 298.9348 3576.2698 6316.2849 301.9561 PRESSURE: 1380600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1380600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1380600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1380600 0 0 0 0 0 0 0 0 0 TIMING: 1380600 CPU: 5521.42, 0.00394986/step Wall: 5521.42, 0.00394986/step, 1.22819 hours remaining, 114.179688 MB of memory in use. ENERGY: 1380600 685.4245 1813.3506 1995.8971 117.2437 -0.2824 -1052.4078 0.0000 0.0000 2750.4393 6309.6650 303.7937 3559.2257 6345.9621 304.6230 PRESSURE: 1380800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1380800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1380800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1380800 0 0 0 0 0 0 0 0 0 TIMING: 1380800 CPU: 5522.21, 0.00395151/step Wall: 5522.21, 0.00395151/step, 1.22848 hours remaining, 114.179688 MB of memory in use. ENERGY: 1380800 658.2758 1860.5466 2027.4823 103.7775 1.9441 -1068.6267 0.0000 0.0000 2719.0611 6302.4607 300.3279 3583.3996 6336.4554 302.9009 PRESSURE: 1381000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1381000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1381000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1381000 0 0 0 0 0 0 0 0 0 TIMING: 1381000 CPU: 5523, 0.00395215/step Wall: 5523, 0.00395215/step, 1.22846 hours remaining, 114.179688 MB of memory in use. ENERGY: 1381000 659.9043 1833.5249 1984.9558 119.4026 -0.1085 -1038.8045 0.0000 0.0000 2806.9725 6365.8471 310.0379 3558.8746 6400.4871 304.7445 PRESSURE: 1381200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1381200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1381200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1381200 0 0 0 0 0 0 0 0 0 TIMING: 1381200 CPU: 5523.79, 0.00395292/step Wall: 5523.79, 0.00395292/step, 1.22848 hours remaining, 114.179688 MB of memory in use. ENERGY: 1381200 667.1345 1891.5796 1995.4343 109.3987 0.8670 -1045.8564 0.0000 0.0000 2759.7507 6378.3084 304.8222 3618.5577 6412.9712 305.7256 PRESSURE: 1381400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1381400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1381400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1381400 0 0 0 0 0 0 0 0 0 TIMING: 1381400 CPU: 5524.59, 0.00395415/step Wall: 5524.59, 0.00395415/step, 1.22864 hours remaining, 114.179688 MB of memory in use. ENERGY: 1381400 656.6350 1890.2367 1962.5250 110.7683 0.8843 -1048.8515 0.0000 0.0000 2764.5892 6336.7870 305.3566 3572.1978 6371.2688 305.8119 PRESSURE: 1381600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1381600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1381600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1381600 0 0 0 0 0 0 0 0 0 TIMING: 1381600 CPU: 5525.38, 0.00394973/step Wall: 5525.38, 0.00394973/step, 1.22705 hours remaining, 114.179688 MB of memory in use. ENERGY: 1381600 698.6989 1864.2550 1969.4992 100.3085 0.9954 -1023.4196 0.0000 0.0000 2721.9455 6332.2829 300.6465 3610.3375 6365.0567 302.9726 PRESSURE: 1381800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1381800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1381800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1381800 0 0 0 0 0 0 0 0 0 TIMING: 1381800 CPU: 5526.17, 0.00395234/step Wall: 5526.17, 0.00395234/step, 1.22764 hours remaining, 114.179688 MB of memory in use. ENERGY: 1381800 653.7241 1880.2903 1984.6721 110.4135 1.0631 -1076.9134 0.0000 0.0000 2729.8203 6283.0700 301.5163 3553.2497 6318.8629 303.4466 PRESSURE: 1382000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1382000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1382000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1382000 0 0 0 0 0 0 0 0 0 TIMING: 1382000 CPU: 5526.96, 0.00395104/step Wall: 5526.96, 0.00395104/step, 1.22702 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1382000 667.2099 1876.7413 1993.0927 111.0474 0.7058 -1065.7768 0.0000 0.0000 2681.1373 6264.1576 296.1391 3583.0202 6295.3077 302.5203 PRESSURE: 1382200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1382200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1382200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1382200 0 0 0 0 0 0 0 0 0 TIMING: 1382200 CPU: 5527.75, 0.00395234/step Wall: 5527.75, 0.00395234/step, 1.2272 hours remaining, 114.179688 MB of memory in use. ENERGY: 1382200 654.0006 1893.2383 1995.5474 109.3405 1.1167 -1077.0946 0.0000 0.0000 2686.3941 6262.5431 296.7197 3576.1490 6294.4058 300.4194 PRESSURE: 1382400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1382400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1382400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1382400 0 0 0 0 0 0 0 0 0 TIMING: 1382400 CPU: 5528.54, 0.00395067/step Wall: 5528.54, 0.00395067/step, 1.22646 hours remaining, 114.179688 MB of memory in use. ENERGY: 1382400 674.8229 1896.5334 1976.8029 109.0254 2.2929 -1077.6891 0.0000 0.0000 2714.0065 6295.7949 299.7696 3581.7883 6329.7067 300.9404 PRESSURE: 1382600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1382600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1382600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1382600 0 0 0 0 0 0 0 0 0 TIMING: 1382600 CPU: 5529.33, 0.00395036/step Wall: 5529.33, 0.00395036/step, 1.22615 hours remaining, 114.179688 MB of memory in use. ENERGY: 1382600 670.0092 1836.4565 2017.6523 105.3009 0.9524 -1089.5626 0.0000 0.0000 2698.6136 6239.4223 298.0694 3540.8087 6272.2668 301.5801 PRESSURE: 1382800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1382800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1382800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1382800 0 0 0 0 0 0 0 0 0 TIMING: 1382800 CPU: 5530.12, 0.0039519/step Wall: 5530.12, 0.0039519/step, 1.22641 hours remaining, 114.179688 MB of memory in use. ENERGY: 1382800 640.8703 1886.0000 2019.4830 103.5991 1.0037 -1075.9625 0.0000 0.0000 2687.7303 6262.7240 296.8673 3574.9937 6299.2569 300.5560 PRESSURE: 1383000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1383000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1383000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1383000 0 0 0 0 0 0 0 0 0 TIMING: 1383000 CPU: 5530.91, 0.00395212/step Wall: 5530.91, 0.00395212/step, 1.22626 hours remaining, 114.179688 MB of memory in use. ENERGY: 1383000 651.7533 1863.9836 1991.5669 100.7975 1.2687 -1086.8659 0.0000 0.0000 2750.2451 6272.7493 303.7722 3522.5041 6310.0517 301.7174 PRESSURE: 1383200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1383200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1383200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1383200 0 0 0 0 0 0 0 0 0 TIMING: 1383200 CPU: 5531.7, 0.00395294/step Wall: 5531.7, 0.00395294/step, 1.22629 hours remaining, 114.179688 MB of memory in use. ENERGY: 1383200 642.8072 1833.5625 1985.9021 99.6921 1.0008 -1079.7032 0.0000 0.0000 2753.5844 6236.8459 304.1411 3483.2615 6270.9944 300.4504 PRESSURE: 1383400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1383400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1383400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1383400 0 0 0 0 0 0 0 0 0 TIMING: 1383400 CPU: 5532.49, 0.00394874/step Wall: 5532.49, 0.00394874/step, 1.22477 hours remaining, 114.179688 MB of memory in use. ENERGY: 1383400 658.2632 1849.4919 1999.9539 104.8606 0.8553 -1076.6647 0.0000 0.0000 2724.4209 6261.1812 300.9199 3536.7603 6292.6339 300.1864 PRESSURE: 1383600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1383600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1383600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1383600 0 0 0 0 0 0 0 0 0 TIMING: 1383600 CPU: 5533.28, 0.00395301/step Wall: 5533.28, 0.00395301/step, 1.22587 hours remaining, 114.179688 MB of memory in use. ENERGY: 1383600 668.3299 1898.8250 1978.8950 105.0912 -0.3247 -1111.3455 0.0000 0.0000 2730.8342 6270.3052 301.6282 3539.4710 6305.5716 303.0284 PRESSURE: 1383800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1383800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1383800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1383800 0 0 0 0 0 0 0 0 0 TIMING: 1383800 CPU: 5534.07, 0.00395095/step Wall: 5534.07, 0.00395095/step, 1.22502 hours remaining, 114.179688 MB of memory in use. ENERGY: 1383800 685.4970 1793.7143 1959.0671 115.6277 -0.3496 -1082.0393 0.0000 0.0000 2727.9659 6199.4832 301.3114 3471.5173 6233.8876 300.0211 PRESSURE: 1384000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1384000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1384000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1384000 0 0 0 0 0 0 0 0 0 TIMING: 1384000 CPU: 5534.86, 0.00395039/step Wall: 5534.86, 0.00395039/step, 1.22462 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1384000 629.3109 1820.8595 2004.1705 123.4014 -1.1904 -1073.4382 0.0000 0.0000 2726.0933 6229.2070 301.1046 3503.1137 6263.1560 298.3739 PRESSURE: 1384200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1384200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1384200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1384200 0 0 0 0 0 0 0 0 0 TIMING: 1384200 CPU: 5535.65, 0.00395292/step Wall: 5535.65, 0.00395292/step, 1.22519 hours remaining, 114.179688 MB of memory in use. ENERGY: 1384200 624.0077 1911.3557 1965.9071 105.2506 -0.4695 -1091.0880 0.0000 0.0000 2735.7853 6250.7489 302.1751 3514.9636 6283.4896 300.4822 LDB: ============= START OF LOAD BALANCING ============== 5538.61 LDB: ============== END OF LOAD BALANCING =============== 5538.61 LDB: =============== DONE WITH MIGRATION ================ 5538.61 LDB: ============= START OF LOAD BALANCING ============== 5539 LDB: ============== END OF LOAD BALANCING =============== 5539 LDB: =============== DONE WITH MIGRATION ================ 5539 PRESSURE: 1384400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1384400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1384400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1384400 0 0 0 0 0 0 0 0 0 TIMING: 1384400 CPU: 5536.44, 0.00395286/step Wall: 5536.44, 0.00395286/step, 1.22495 hours remaining, 114.179688 MB of memory in use. ENERGY: 1384400 690.1355 1846.5704 1945.0118 113.7912 0.1899 -1096.4467 0.0000 0.0000 2721.3162 6220.5684 300.5770 3499.2522 6251.5514 302.2810 PRESSURE: 1384600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1384600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1384600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1384600 0 0 0 0 0 0 0 0 0 TIMING: 1384600 CPU: 5537.23, 0.00395297/step Wall: 5537.23, 0.00395297/step, 1.22476 hours remaining, 114.179688 MB of memory in use. ENERGY: 1384600 643.5826 1810.7819 1969.1089 114.1011 0.3664 -1060.0559 0.0000 0.0000 2694.3072 6172.1921 297.5937 3477.8849 6205.1654 297.9408 PRESSURE: 1384800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1384800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1384800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1384800 0 0 0 0 0 0 0 0 0 TIMING: 1384800 CPU: 5538.02, 0.00395093/step Wall: 5538.02, 0.00395093/step, 1.22391 hours remaining, 114.179688 MB of memory in use. ENERGY: 1384800 653.1447 1835.5384 1963.0301 108.3060 1.8082 -1089.9392 0.0000 0.0000 2750.6651 6222.5533 303.8186 3471.8882 6256.3925 297.2923 PRESSURE: 1385000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1385000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1385000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1385000 0 0 0 0 0 0 0 0 0 TIMING: 1385000 CPU: 5538.81, 0.00395668/step Wall: 5538.81, 0.00395668/step, 1.22547 hours remaining, 114.179688 MB of memory in use. ENERGY: 1385000 636.0365 1889.7004 1957.3796 109.3110 0.2228 -1059.1402 0.0000 0.0000 2711.4956 6245.0059 299.4922 3533.5103 6278.1839 299.4606 PRESSURE: 1385200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1385200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1385200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1385200 0 0 0 0 0 0 0 0 0 TIMING: 1385200 CPU: 5539.6, 0.00394961/step Wall: 5539.6, 0.00394961/step, 1.22306 hours remaining, 114.179688 MB of memory in use. ENERGY: 1385200 671.2121 1831.1669 1981.2673 99.7434 0.5096 -1077.0631 0.0000 0.0000 2704.6337 6211.4700 298.7343 3506.8363 6244.3902 299.1926 PRESSURE: 1385400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1385400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1385400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1385400 0 0 0 0 0 0 0 0 0 TIMING: 1385400 CPU: 5540.39, 0.0039475/step Wall: 5540.39, 0.0039475/step, 1.22219 hours remaining, 114.179688 MB of memory in use. ENERGY: 1385400 628.5497 1858.0763 1980.2710 112.9533 2.2323 -1075.5581 0.0000 0.0000 2714.0328 6220.5575 299.7725 3506.5247 6252.9250 298.5259 PRESSURE: 1385600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1385600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1385600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1385600 0 0 0 0 0 0 0 0 0 TIMING: 1385600 CPU: 5541.18, 0.00395231/step Wall: 5541.18, 0.00395231/step, 1.22346 hours remaining, 114.179688 MB of memory in use. ENERGY: 1385600 655.0864 1789.1063 1977.0264 89.8034 0.9594 -1062.6388 0.0000 0.0000 2675.0706 6124.4137 295.4690 3449.3431 6159.4661 297.6137 PRESSURE: 1385800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1385800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1385800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1385800 0 0 0 0 0 0 0 0 0 TIMING: 1385800 CPU: 5541.97, 0.00395001/step Wall: 5541.97, 0.00395001/step, 1.22253 hours remaining, 114.179688 MB of memory in use. ENERGY: 1385800 644.8780 1882.4799 1948.0499 93.0948 1.1118 -1061.3978 0.0000 0.0000 2640.9310 6149.1476 291.6982 3508.2166 6181.8140 294.5258 PRESSURE: 1386000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1386000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1386000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1386000 0 0 0 0 0 0 0 0 0 TIMING: 1386000 CPU: 5542.76, 0.00395058/step Wall: 5542.76, 0.00395058/step, 1.22248 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1386000 699.4155 1802.7814 1973.6534 105.4110 1.8038 -1074.8189 0.0000 0.0000 2703.6953 6211.9416 298.6307 3508.2462 6245.1040 296.4954 PRESSURE: 1386200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1386200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1386200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1386200 0 0 0 0 0 0 0 0 0 TIMING: 1386200 CPU: 5543.55, 0.00394732/step Wall: 5543.55, 0.00394732/step, 1.22126 hours remaining, 114.179688 MB of memory in use. ENERGY: 1386200 648.2417 1794.1002 1993.3775 108.8207 1.7409 -1079.6507 0.0000 0.0000 2650.1414 6116.7717 292.7155 3466.6303 6150.8325 295.5420 PRESSURE: 1386400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1386400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1386400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1386400 0 0 0 0 0 0 0 0 0 TIMING: 1386400 CPU: 5544.34, 0.00394982/step Wall: 5544.34, 0.00394982/step, 1.22181 hours remaining, 114.179688 MB of memory in use. ENERGY: 1386400 683.5061 1804.5451 1993.2093 102.4295 2.8785 -1087.9328 0.0000 0.0000 2615.6641 6114.2998 288.9074 3498.6357 6145.0299 293.3380 PRESSURE: 1386600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1386600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1386600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1386600 0 0 0 0 0 0 0 0 0 TIMING: 1386600 CPU: 5545.13, 0.00395208/step Wall: 5545.13, 0.00395208/step, 1.22229 hours remaining, 114.179688 MB of memory in use. ENERGY: 1386600 684.7434 1831.6079 1965.2143 107.7668 1.9331 -1084.0838 0.0000 0.0000 2661.6950 6168.8768 293.9916 3507.1818 6200.7963 292.3060 PRESSURE: 1386800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1386800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1386800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1386800 0 0 0 0 0 0 0 0 0 TIMING: 1386800 CPU: 5545.92, 0.00395066/step Wall: 5545.92, 0.00395066/step, 1.22163 hours remaining, 114.179688 MB of memory in use. ENERGY: 1386800 658.9962 1852.0390 1985.7952 119.5729 2.1675 -1088.4354 0.0000 0.0000 2665.5933 6195.7288 294.4222 3530.1355 6229.1388 297.8601 PRESSURE: 1387000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1387000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1387000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1387000 0 0 0 0 0 0 0 0 0 TIMING: 1387000 CPU: 5546.71, 0.00394999/step Wall: 5546.71, 0.00394999/step, 1.2212 hours remaining, 114.179688 MB of memory in use. ENERGY: 1387000 685.1624 1825.4555 1987.0869 102.1666 0.3138 -1083.1860 0.0000 0.0000 2664.5278 6181.5270 294.3045 3516.9992 6214.5595 296.2232 PRESSURE: 1387200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1387200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1387200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1387200 0 0 0 0 0 0 0 0 0 TIMING: 1387200 CPU: 5547.5, 0.00394706/step Wall: 5547.5, 0.00394706/step, 1.22008 hours remaining, 114.179688 MB of memory in use. ENERGY: 1387200 633.1767 1748.2170 2014.0863 101.4411 2.0974 -1016.1946 0.0000 0.0000 2678.4977 6161.3217 295.8475 3482.8239 6194.6122 293.9371 PRESSURE: 1387400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1387400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1387400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1387400 0 0 0 0 0 0 0 0 0 TIMING: 1387400 CPU: 5548.29, 0.00395017/step Wall: 5548.29, 0.00395017/step, 1.22082 hours remaining, 114.179688 MB of memory in use. ENERGY: 1387400 667.2911 1818.1096 2015.6917 111.0473 0.5628 -1062.0771 0.0000 0.0000 2653.6094 6204.2347 293.0985 3550.6253 6236.4352 296.9231 PRESSURE: 1387600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1387600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1387600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1387600 0 0 0 0 0 0 0 0 0 TIMING: 1387600 CPU: 5549.08, 0.00395199/step Wall: 5549.08, 0.00395199/step, 1.22117 hours remaining, 114.179688 MB of memory in use. ENERGY: 1387600 657.2130 1773.1475 1977.3973 107.3364 -0.4764 -1068.6562 0.0000 0.0000 2733.5784 6179.5400 301.9314 3445.9615 6213.0160 297.2827 PRESSURE: 1387800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1387800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1387800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1387800 0 0 0 0 0 0 0 0 0 TIMING: 1387800 CPU: 5549.87, 0.0039492/step Wall: 5549.87, 0.0039492/step, 1.22008 hours remaining, 114.179688 MB of memory in use. ENERGY: 1387800 605.4440 1783.2541 1990.0909 116.2939 0.2204 -1011.3484 0.0000 0.0000 2723.1829 6207.1377 300.7831 3483.9549 6242.1068 297.3325 PRESSURE: 1388000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1388000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1388000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1388000 0 0 0 0 0 0 0 0 0 TIMING: 1388000 CPU: 5550.66, 0.00394924/step Wall: 5550.66, 0.00394924/step, 1.21988 hours remaining, 114.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1388000 630.3389 1809.6436 1967.8521 117.1017 -0.0926 -1042.9064 0.0000 0.0000 2717.8967 6199.8341 300.1993 3481.9373 6230.8735 297.3333 PRESSURE: 1388200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1388200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1388200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1388200 0 0 0 0 0 0 0 0 0 TIMING: 1388200 CPU: 5551.45, 0.00394769/step Wall: 5551.45, 0.00394769/step, 1.21918 hours remaining, 114.179688 MB of memory in use. ENERGY: 1388200 646.1064 1843.8183 1981.0290 111.1993 0.4298 -1078.4418 0.0000 0.0000 2717.6349 6221.7758 300.1703 3504.1409 6253.7155 299.1194 LDB: ============= START OF LOAD BALANCING ============== 5554.41 LDB: ============== END OF LOAD BALANCING =============== 5554.41 LDB: =============== DONE WITH MIGRATION ================ 5554.41 LDB: ============= START OF LOAD BALANCING ============== 5554.81 LDB: ============== END OF LOAD BALANCING =============== 5554.81 LDB: =============== DONE WITH MIGRATION ================ 5554.81 PRESSURE: 1388400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1388400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1388400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1388400 0 0 0 0 0 0 0 0 0 TIMING: 1388400 CPU: 5552.24, 0.00395413/step Wall: 5552.24, 0.00395413/step, 1.22095 hours remaining, 114.179688 MB of memory in use. ENERGY: 1388400 661.9661 1805.3189 1988.8333 104.1676 1.7521 -1078.2981 0.0000 0.0000 2698.0372 6181.7773 298.0057 3483.7400 6216.1225 296.9970 PRESSURE: 1388600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1388600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1388600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1388600 0 0 0 0 0 0 0 0 0 TIMING: 1388600 CPU: 5553.03, 0.00395041/step Wall: 5553.03, 0.00395041/step, 1.21958 hours remaining, 114.179688 MB of memory in use. ENERGY: 1388600 642.0483 1875.6100 1963.3751 104.2118 -0.1190 -1044.9408 0.0000 0.0000 2671.8946 6212.0800 295.1182 3540.1855 6244.2042 296.8811 PRESSURE: 1388800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1388800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1388800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1388800 0 0 0 0 0 0 0 0 0 TIMING: 1388800 CPU: 5553.82, 0.00394958/step Wall: 5553.82, 0.00394958/step, 1.21911 hours remaining, 114.179688 MB of memory in use. ENERGY: 1388800 631.6165 1846.6198 1984.9283 104.0158 -0.9598 -1054.2743 0.0000 0.0000 2691.5957 6203.5420 297.2942 3511.9463 6237.0016 299.4411 PRESSURE: 1389000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1389000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1389000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1389000 0 0 0 0 0 0 0 0 0 TIMING: 1389000 CPU: 5554.61, 0.00394973/step Wall: 5554.61, 0.00394973/step, 1.21893 hours remaining, 114.179688 MB of memory in use. ENERGY: 1389000 647.3055 1810.3416 1991.1642 98.2031 0.6035 -1087.2029 0.0000 0.0000 2753.7661 6214.1811 304.1611 3460.4150 6248.3914 297.7463 PRESSURE: 1389200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1389200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1389200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1389200 0 0 0 0 0 0 0 0 0 TIMING: 1389200 CPU: 5555.4, 0.0039467/step Wall: 5555.4, 0.0039467/step, 1.21778 hours remaining, 114.179688 MB of memory in use. ENERGY: 1389200 631.3971 1929.3494 1986.9221 94.2459 0.7956 -1097.7818 0.0000 0.0000 2678.9896 6223.9178 295.9019 3544.9282 6255.0189 297.9224 PRESSURE: 1389400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1389400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1389400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1389400 0 0 0 0 0 0 0 0 0 TIMING: 1389400 CPU: 5556.19, 0.00395007/step Wall: 5556.19, 0.00395007/step, 1.2186 hours remaining, 114.179688 MB of memory in use. ENERGY: 1389400 655.1351 1881.7941 2008.3247 92.4801 0.1497 -1092.0482 0.0000 0.0000 2726.2645 6272.1000 301.1235 3545.8355 6304.7855 302.3379 PRESSURE: 1389600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1389600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1389600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1389600 0 0 0 0 0 0 0 0 0 TIMING: 1389600 CPU: 5556.98, 0.00394987/step Wall: 5556.98, 0.00394987/step, 1.21832 hours remaining, 114.179688 MB of memory in use. ENERGY: 1389600 625.0835 1816.4097 2014.3590 107.6712 0.6425 -1050.1347 0.0000 0.0000 2734.4509 6248.4821 302.0277 3514.0312 6282.7790 302.3126 PRESSURE: 1389800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1389800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1389800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1389800 0 0 0 0 0 0 0 0 0 TIMING: 1389800 CPU: 5557.77, 0.00395112/step Wall: 5557.77, 0.00395112/step, 1.21848 hours remaining, 114.179688 MB of memory in use. ENERGY: 1389800 621.5907 1914.6530 1987.4302 107.3414 0.9691 -1066.8484 0.0000 0.0000 2643.9134 6209.0494 292.0276 3565.1360 6239.9356 299.2272 PRESSURE: 1390000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1390000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1390000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1390000 0 0 0 0 0 0 0 0 0 TIMING: 1390000 CPU: 5558.56, 0.0039485/step Wall: 5558.56, 0.0039485/step, 1.21745 hours remaining, 114.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1390000 652.8557 1817.2187 1988.4878 94.0512 1.6469 -1069.9797 0.0000 0.0000 2721.2727 6205.5533 300.5721 3484.2807 6239.1213 297.6299 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1390000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1390000 WRITING COORDINATES TO RESTART FILE AT STEP 1390000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1390000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1390200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1390200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1390200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1390200 0 0 0 0 0 0 0 0 0 TIMING: 1390200 CPU: 5559.4, 0.00418541/step Wall: 5559.4, 0.00418541/step, 1.29027 hours remaining, 114.324219 MB of memory in use. ENERGY: 1390200 645.7536 1825.5180 1966.1363 117.8474 -0.3754 -1086.2961 0.0000 0.0000 2804.9091 6273.4929 309.8100 3468.5838 6308.6637 301.5707 PRESSURE: 1390400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1390400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1390400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1390400 0 0 0 0 0 0 0 0 0 TIMING: 1390400 CPU: 5560.19, 0.0039486/step Wall: 5560.19, 0.00394861/step, 1.21705 hours remaining, 114.324219 MB of memory in use. ENERGY: 1390400 679.6619 1865.2714 2009.1053 107.4938 -0.8606 -1100.2562 0.0000 0.0000 2698.3009 6258.7163 298.0348 3560.4154 6291.1635 299.4247 PRESSURE: 1390600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1390600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1390600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1390600 0 0 0 0 0 0 0 0 0 TIMING: 1390600 CPU: 5560.98, 0.00395149/step Wall: 5560.98, 0.00395149/step, 1.21772 hours remaining, 114.324219 MB of memory in use. ENERGY: 1390600 623.7410 1866.6648 1982.7288 102.3678 0.0201 -1054.3716 0.0000 0.0000 2690.4099 6211.5608 297.1633 3521.1509 6244.8685 300.1968 PRESSURE: 1390800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1390800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1390800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1390800 0 0 0 0 0 0 0 0 0 TIMING: 1390800 CPU: 5561.77, 0.00395209/step Wall: 5561.77, 0.00395209/step, 1.21768 hours remaining, 114.324219 MB of memory in use. ENERGY: 1390800 652.2289 1843.1845 1984.5204 115.5037 -0.0960 -1093.9258 0.0000 0.0000 2688.2458 6189.6615 296.9242 3501.4157 6222.5610 297.2895 PRESSURE: 1391000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1391000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1391000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1391000 0 0 0 0 0 0 0 0 0 TIMING: 1391000 CPU: 5562.56, 0.00394799/step Wall: 5562.56, 0.00394799/step, 1.2162 hours remaining, 114.324219 MB of memory in use. ENERGY: 1391000 626.4857 1853.0615 1986.3138 111.2220 -0.0839 -1094.9818 0.0000 0.0000 2734.8983 6216.9156 302.0771 3482.0173 6251.7888 298.3119 PRESSURE: 1391200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1391200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1391200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1391200 0 0 0 0 0 0 0 0 0 TIMING: 1391200 CPU: 5563.35, 0.00395162/step Wall: 5563.35, 0.00395162/step, 1.2171 hours remaining, 114.324219 MB of memory in use. ENERGY: 1391200 656.4084 1830.8767 2001.5131 99.1994 0.6692 -1093.0080 0.0000 0.0000 2713.3439 6209.0028 299.6964 3495.6589 6243.4406 299.8919 PRESSURE: 1391400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1391400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1391400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1391400 0 0 0 0 0 0 0 0 0 TIMING: 1391400 CPU: 5564.14, 0.0039707/step Wall: 5564.14, 0.0039707/step, 1.22275 hours remaining, 114.324219 MB of memory in use. ENERGY: 1391400 700.4469 1796.6232 1975.8175 108.1610 0.9936 -1069.6039 0.0000 0.0000 2723.6580 6236.0963 300.8356 3512.4383 6269.3103 298.1086 PRESSURE: 1391600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1391600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1391600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1391600 0 0 0 0 0 0 0 0 0 TIMING: 1391600 CPU: 5564.93, 0.00395867/step Wall: 5564.93, 0.00395867/step, 1.21883 hours remaining, 114.324219 MB of memory in use. ENERGY: 1391600 682.7802 1807.8566 1985.1935 90.6048 0.6012 -1057.1681 0.0000 0.0000 2719.5946 6229.4628 300.3868 3509.8682 6263.6592 298.2995 PRESSURE: 1391800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1391800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1391800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1391800 0 0 0 0 0 0 0 0 0 TIMING: 1391800 CPU: 5565.73, 0.00395542/step Wall: 5565.73, 0.00395542/step, 1.21761 hours remaining, 114.324219 MB of memory in use. ENERGY: 1391800 664.5408 1794.0298 1990.9925 114.7733 0.5332 -1052.7773 0.0000 0.0000 2670.7287 6182.8210 294.9894 3512.0923 6216.2261 297.0130 PRESSURE: 1392000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1392000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1392000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1392000 0 0 0 0 0 0 0 0 0 TIMING: 1392000 CPU: 5566.52, 0.0039482/step Wall: 5566.52, 0.0039482/step, 1.21517 hours remaining, 114.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1392000 675.5405 1837.4411 1978.3958 94.0088 -0.2517 -1082.0823 0.0000 0.0000 2711.4885 6214.5407 299.4915 3503.0522 6249.9174 296.7856 PRESSURE: 1392200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1392200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1392200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1392200 0 0 0 0 0 0 0 0 0 TIMING: 1392200 CPU: 5567.31, 0.00395312/step Wall: 5567.31, 0.00395312/step, 1.21646 hours remaining, 114.324219 MB of memory in use. ENERGY: 1392200 645.9186 1868.8383 2007.4367 114.9259 -0.4945 -1067.8274 0.0000 0.0000 2697.6001 6266.3978 297.9574 3568.7977 6295.7035 299.1383 LDB: ============= START OF LOAD BALANCING ============== 5570.27 LDB: ============== END OF LOAD BALANCING =============== 5570.27 LDB: =============== DONE WITH MIGRATION ================ 5570.27 LDB: ============= START OF LOAD BALANCING ============== 5570.66 LDB: ============== END OF LOAD BALANCING =============== 5570.66 LDB: =============== DONE WITH MIGRATION ================ 5570.66 PRESSURE: 1392400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1392400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1392400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1392400 0 0 0 0 0 0 0 0 0 TIMING: 1392400 CPU: 5568.1, 0.0039563/step Wall: 5568.1, 0.0039563/step, 1.21722 hours remaining, 114.324219 MB of memory in use. ENERGY: 1392400 645.8555 1891.9258 1998.3490 116.9863 0.7525 -1089.4672 0.0000 0.0000 2679.8587 6244.2606 295.9979 3564.4018 6274.7747 301.2978 PRESSURE: 1392600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1392600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1392600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1392600 0 0 0 0 0 0 0 0 0 TIMING: 1392600 CPU: 5568.89, 0.00395093/step Wall: 5568.89, 0.00395093/step, 1.21535 hours remaining, 114.324219 MB of memory in use. ENERGY: 1392600 656.4404 1798.8877 1995.2959 114.5395 0.8565 -1067.5047 0.0000 0.0000 2743.6026 6242.1179 303.0385 3498.5153 6278.1845 299.8817 PRESSURE: 1392800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1392800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1392800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1392800 0 0 0 0 0 0 0 0 0 TIMING: 1392800 CPU: 5569.68, 0.0039535/step Wall: 5569.68, 0.0039535/step, 1.21592 hours remaining, 114.324219 MB of memory in use. ENERGY: 1392800 625.3908 1879.6189 1956.8264 108.2113 0.7758 -1044.5337 0.0000 0.0000 2745.8179 6272.1073 303.2832 3526.2894 6305.0186 300.7901 PRESSURE: 1393000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1393000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1393000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1393000 0 0 0 0 0 0 0 0 0 TIMING: 1393000 CPU: 5570.47, 0.00394812/step Wall: 5570.47, 0.00394812/step, 1.21405 hours remaining, 114.324219 MB of memory in use. ENERGY: 1393000 625.6728 1894.8491 1959.0459 107.0698 1.0683 -1059.2775 0.0000 0.0000 2727.5063 6255.9346 301.2607 3528.4283 6287.2146 300.5853 PRESSURE: 1393200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1393200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1393200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1393200 0 0 0 0 0 0 0 0 0 TIMING: 1393200 CPU: 5571.26, 0.00395252/step Wall: 5571.26, 0.00395251/step, 1.21518 hours remaining, 114.324219 MB of memory in use. ENERGY: 1393200 662.5420 1838.4897 1959.4078 99.0869 -0.4778 -1040.1653 0.0000 0.0000 2708.4692 6227.3522 299.1580 3518.8831 6260.8024 301.0104 PRESSURE: 1393400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1393400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1393400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1393400 0 0 0 0 0 0 0 0 0 TIMING: 1393400 CPU: 5572.05, 0.00395232/step Wall: 5572.05, 0.00395233/step, 1.2149 hours remaining, 114.324219 MB of memory in use. ENERGY: 1393400 669.8960 1874.2071 1993.9661 103.9807 -0.2361 -1063.1807 0.0000 0.0000 2678.3101 6256.9432 295.8268 3578.6331 6286.8240 301.3187 PRESSURE: 1393600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1393600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1393600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1393600 0 0 0 0 0 0 0 0 0 TIMING: 1393600 CPU: 5572.84, 0.00395123/step Wall: 5572.84, 0.00395123/step, 1.21435 hours remaining, 114.324219 MB of memory in use. ENERGY: 1393600 642.5929 1873.9538 2001.7283 114.0407 -0.2310 -1095.6586 0.0000 0.0000 2699.5173 6235.9434 298.1692 3536.4260 6266.6994 299.9323 PRESSURE: 1393800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1393800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1393800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1393800 0 0 0 0 0 0 0 0 0 TIMING: 1393800 CPU: 5573.63, 0.00395206/step Wall: 5573.63, 0.00395206/step, 1.21438 hours remaining, 114.324219 MB of memory in use. ENERGY: 1393800 624.3229 1869.8798 1966.3842 109.8322 0.1120 -1075.6859 0.0000 0.0000 2745.7406 6240.5858 303.2747 3494.8452 6274.6839 298.8412 PRESSURE: 1394000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1394000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1394000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1394000 0 0 0 0 0 0 0 0 0 TIMING: 1394000 CPU: 5574.42, 0.00394822/step Wall: 5574.42, 0.00394822/step, 1.21298 hours remaining, 114.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1394000 638.1435 1852.2813 1988.9899 120.6942 -0.0276 -1066.9890 0.0000 0.0000 2708.5132 6241.6056 299.1628 3533.0923 6272.5964 300.4264 PRESSURE: 1394200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1394200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1394200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1394200 0 0 0 0 0 0 0 0 0 TIMING: 1394200 CPU: 5575.21, 0.00395181/step Wall: 5575.21, 0.00395181/step, 1.21386 hours remaining, 114.324219 MB of memory in use. ENERGY: 1394200 664.2361 1858.6285 1970.3522 113.6555 -0.0071 -1085.4271 0.0000 0.0000 2703.0235 6224.4616 298.5565 3521.4381 6258.0041 298.7173 PRESSURE: 1394400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1394400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1394400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1394400 0 0 0 0 0 0 0 0 0 TIMING: 1394400 CPU: 5576, 0.00395063/step Wall: 5576, 0.00395063/step, 1.21328 hours remaining, 114.324219 MB of memory in use. ENERGY: 1394400 682.1445 1867.7465 1994.1211 110.6079 0.4174 -1069.2390 0.0000 0.0000 2646.8554 6232.6539 292.3526 3585.7985 6262.7246 299.0217 PRESSURE: 1394600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1394600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1394600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1394600 0 0 0 0 0 0 0 0 0 TIMING: 1394600 CPU: 5576.79, 0.0039516/step Wall: 5576.79, 0.0039516/step, 1.21336 hours remaining, 114.324219 MB of memory in use. ENERGY: 1394600 659.5495 1854.4873 1981.7456 109.8250 0.1099 -1056.0103 0.0000 0.0000 2707.8500 6257.5572 299.0896 3549.7071 6288.3902 300.7750 PRESSURE: 1394800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1394800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1394800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1394800 0 0 0 0 0 0 0 0 0 TIMING: 1394800 CPU: 5577.58, 0.00394691/step Wall: 5577.58, 0.00394691/step, 1.2117 hours remaining, 114.324219 MB of memory in use. ENERGY: 1394800 679.7340 1847.3008 1976.8067 105.6030 1.1019 -1069.8027 0.0000 0.0000 2730.4909 6271.2346 301.5903 3540.7437 6303.3643 300.8923 PRESSURE: 1395000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1395000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1395000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1395000 0 0 0 0 0 0 0 0 0 TIMING: 1395000 CPU: 5578.37, 0.00395271/step Wall: 5578.37, 0.0039527/step, 1.21326 hours remaining, 114.324219 MB of memory in use. ENERGY: 1395000 663.5365 1892.0969 1951.0469 110.8958 2.3730 -1089.7835 0.0000 0.0000 2736.4702 6266.6357 302.2508 3530.1655 6298.0945 301.7822 PRESSURE: 1395200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1395200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1395200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1395200 0 0 0 0 0 0 0 0 0 TIMING: 1395200 CPU: 5579.16, 0.00396789/step Wall: 5579.16, 0.0039679/step, 1.2177 hours remaining, 114.324219 MB of memory in use. ENERGY: 1395200 697.3492 1784.8782 1985.8357 110.3285 1.8902 -1075.9315 0.0000 0.0000 2727.7563 6232.1066 301.2883 3504.3503 6266.3807 301.2074 PRESSURE: 1395400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1395400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1395400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1395400 0 0 0 0 0 0 0 0 0 TIMING: 1395400 CPU: 5579.95, 0.00394983/step Wall: 5579.95, 0.00394983/step, 1.21194 hours remaining, 114.324219 MB of memory in use. ENERGY: 1395400 650.5742 1880.2777 1980.1680 98.9704 1.7292 -1095.7415 0.0000 0.0000 2681.3803 6197.3583 296.1659 3515.9780 6229.1177 299.5029 PRESSURE: 1395600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1395600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1395600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1395600 0 0 0 0 0 0 0 0 0 TIMING: 1395600 CPU: 5580.74, 0.00394933/step Wall: 5580.74, 0.00394933/step, 1.21157 hours remaining, 114.324219 MB of memory in use. ENERGY: 1395600 656.1176 1835.6416 1955.1998 107.2585 1.8721 -1087.9526 0.0000 0.0000 2690.7319 6158.8689 297.1988 3468.1370 6190.5357 298.0386 PRESSURE: 1395800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1395800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1395800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1395800 0 0 0 0 0 0 0 0 0 TIMING: 1395800 CPU: 5581.53, 0.0039477/step Wall: 5581.53, 0.0039477/step, 1.21085 hours remaining, 114.324219 MB of memory in use. ENERGY: 1395800 627.9429 1801.2625 1965.1574 107.0974 1.7945 -1073.1072 0.0000 0.0000 2743.7096 6173.8572 303.0504 3430.1475 6208.0908 294.8396 PRESSURE: 1396000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1396000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1396000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1396000 0 0 0 0 0 0 0 0 0 TIMING: 1396000 CPU: 5582.32, 0.00395082/step Wall: 5582.32, 0.00395082/step, 1.21158 hours remaining, 114.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1396000 668.8446 1803.8431 1965.3071 103.2798 1.3030 -1072.1364 0.0000 0.0000 2668.9558 6139.3970 294.7936 3470.4412 6176.3485 294.2914 PRESSURE: 1396200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1396200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1396200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1396200 0 0 0 0 0 0 0 0 0 TIMING: 1396200 CPU: 5583.11, 0.0039494/step Wall: 5583.11, 0.0039494/step, 1.21093 hours remaining, 114.324219 MB of memory in use. ENERGY: 1396200 673.3136 1872.3694 1966.0812 93.1964 1.8770 -1096.7425 0.0000 0.0000 2667.7007 6177.7959 294.6550 3510.0952 6211.0238 296.3216 LDB: ============= START OF LOAD BALANCING ============== 5586.07 LDB: ============== END OF LOAD BALANCING =============== 5586.07 LDB: =============== DONE WITH MIGRATION ================ 5586.07 LDB: ============= START OF LOAD BALANCING ============== 5586.47 LDB: ============== END OF LOAD BALANCING =============== 5586.47 LDB: =============== DONE WITH MIGRATION ================ 5586.47 PRESSURE: 1396400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1396400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1396400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1396400 0 0 0 0 0 0 0 0 0 TIMING: 1396400 CPU: 5583.9, 0.0039524/step Wall: 5583.9, 0.0039524/step, 1.21163 hours remaining, 114.324219 MB of memory in use. ENERGY: 1396400 657.8790 1895.0174 1972.5203 99.7365 1.3195 -1112.5648 0.0000 0.0000 2675.9191 6189.8269 295.5627 3513.9078 6222.6322 296.9244 PRESSURE: 1396600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1396600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1396600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1396600 0 0 0 0 0 0 0 0 0 TIMING: 1396600 CPU: 5584.69, 0.0039498/step Wall: 5584.69, 0.0039498/step, 1.21061 hours remaining, 114.324219 MB of memory in use. ENERGY: 1396600 657.6780 1834.5980 1974.1090 101.6239 1.0281 -1109.2415 0.0000 0.0000 2699.0094 6158.8050 298.1131 3459.7955 6191.5227 296.8070 PRESSURE: 1396800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1396800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1396800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1396800 0 0 0 0 0 0 0 0 0 TIMING: 1396800 CPU: 5585.48, 0.00394724/step Wall: 5585.48, 0.00394724/step, 1.20961 hours remaining, 114.324219 MB of memory in use. ENERGY: 1396800 685.7946 1863.4111 1967.5015 101.2034 0.7174 -1089.7437 0.0000 0.0000 2656.0292 6184.9134 293.3658 3528.8842 6219.2234 298.0662 PRESSURE: 1397000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1397000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1397000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1397000 0 0 0 0 0 0 0 0 0 TIMING: 1397000 CPU: 5586.27, 0.00394943/step Wall: 5586.27, 0.00394943/step, 1.21006 hours remaining, 114.324219 MB of memory in use. ENERGY: 1397000 651.5169 1786.6375 1990.1115 116.5022 1.3232 -1080.6208 0.0000 0.0000 2683.3479 6148.8183 296.3833 3465.4704 6181.7453 297.5798 PRESSURE: 1397200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1397200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1397200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1397200 0 0 0 0 0 0 0 0 0 TIMING: 1397200 CPU: 5587.06, 0.0039495/step Wall: 5587.06, 0.0039495/step, 1.20986 hours remaining, 114.324219 MB of memory in use. ENERGY: 1397200 663.9224 1857.1261 1965.7497 108.9231 0.4816 -1107.7445 0.0000 0.0000 2717.1823 6205.6408 300.1204 3488.4585 6236.9875 296.5068 PRESSURE: 1397400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1397400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1397400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1397400 0 0 0 0 0 0 0 0 0 TIMING: 1397400 CPU: 5587.85, 0.00394825/step Wall: 5587.85, 0.00394825/step, 1.20926 hours remaining, 114.324219 MB of memory in use. ENERGY: 1397400 648.6854 1863.6127 1976.4861 101.2710 1.5878 -1116.8700 0.0000 0.0000 2766.1253 6240.8984 305.5262 3474.7730 6275.0931 298.8606 PRESSURE: 1397600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1397600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1397600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1397600 0 0 0 0 0 0 0 0 0 TIMING: 1397600 CPU: 5588.64, 0.00394796/step Wall: 5588.64, 0.00394796/step, 1.20895 hours remaining, 114.324219 MB of memory in use. ENERGY: 1397600 674.4104 1847.1978 2003.2497 97.6558 2.0062 -1091.1005 0.0000 0.0000 2693.8630 6227.2825 297.5447 3533.4195 6263.0167 302.6936 PRESSURE: 1397800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1397800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1397800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1397800 0 0 0 0 0 0 0 0 0 TIMING: 1397800 CPU: 5589.43, 0.0039517/step Wall: 5589.43, 0.0039517/step, 1.20988 hours remaining, 114.324219 MB of memory in use. ENERGY: 1397800 642.6566 1843.9856 1959.5335 105.9216 0.5727 -1075.0032 0.0000 0.0000 2728.9867 6206.6535 301.4242 3477.6668 6240.0530 298.4714 PRESSURE: 1398000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1398000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1398000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1398000 0 0 0 0 0 0 0 0 0 TIMING: 1398000 CPU: 5590.22, 0.00395037/step Wall: 5590.22, 0.00395037/step, 1.20925 hours remaining, 114.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1398000 632.2408 1852.7865 1994.3001 110.1787 1.8727 -1095.8724 0.0000 0.0000 2728.5565 6224.0630 301.3767 3495.5065 6255.5426 299.1948 PRESSURE: 1398200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1398200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1398200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1398200 0 0 0 0 0 0 0 0 0 TIMING: 1398200 CPU: 5591.01, 0.00395155/step Wall: 5591.01, 0.00395155/step, 1.2094 hours remaining, 114.324219 MB of memory in use. ENERGY: 1398200 661.2033 1885.4518 1967.1887 108.1517 0.5264 -1113.3148 0.0000 0.0000 2763.0744 6272.2816 305.1893 3509.2072 6305.7003 302.5819 PRESSURE: 1398400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1398400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1398400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1398400 0 0 0 0 0 0 0 0 0 TIMING: 1398400 CPU: 5591.8, 0.00395017/step Wall: 5591.8, 0.00395017/step, 1.20875 hours remaining, 114.324219 MB of memory in use. ENERGY: 1398400 658.1028 1904.6172 1965.9312 101.3484 0.7033 -1098.7914 0.0000 0.0000 2686.3615 6218.2731 296.7161 3531.9116 6249.7601 300.8238 PRESSURE: 1398600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1398600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1398600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1398600 0 0 0 0 0 0 0 0 0 TIMING: 1398600 CPU: 5592.59, 0.00394743/step Wall: 5592.59, 0.00394743/step, 1.20769 hours remaining, 114.324219 MB of memory in use. ENERGY: 1398600 646.5973 1875.2845 2001.3209 109.2481 0.9158 -1088.7290 0.0000 0.0000 2720.8204 6265.4580 300.5222 3544.6376 6297.6334 300.4822 PRESSURE: 1398800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1398800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1398800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1398800 0 0 0 0 0 0 0 0 0 TIMING: 1398800 CPU: 5593.38, 0.00395033/step Wall: 5593.38, 0.00395033/step, 1.20836 hours remaining, 114.324219 MB of memory in use. ENERGY: 1398800 633.0831 1859.2784 2015.3158 103.7166 3.0003 -1065.6976 0.0000 0.0000 2746.8016 6295.4983 303.3919 3548.6966 6329.1200 303.1952 PRESSURE: 1399000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1399000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1399000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1399000 0 0 0 0 0 0 0 0 0 TIMING: 1399000 CPU: 5594.17, 0.00395142/step Wall: 5594.17, 0.00395142/step, 1.20848 hours remaining, 114.324219 MB of memory in use. ENERGY: 1399000 652.4009 1902.7343 1996.0946 97.5931 1.0366 -1075.8851 0.0000 0.0000 2744.4693 6318.4437 303.1343 3573.9745 6350.0197 304.7738 PRESSURE: 1399200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1399200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1399200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1399200 0 0 0 0 0 0 0 0 0 TIMING: 1399200 CPU: 5594.96, 0.00395104/step Wall: 5594.96, 0.00395104/step, 1.20814 hours remaining, 114.328125 MB of memory in use. ENERGY: 1399200 661.3614 1858.7511 1995.1651 113.1135 0.6410 -1065.4798 0.0000 0.0000 2772.9770 6336.5294 306.2830 3563.5524 6369.2419 304.9330 PRESSURE: 1399400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1399400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1399400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1399400 0 0 0 0 0 0 0 0 0 TIMING: 1399400 CPU: 5595.75, 0.00395177/step Wall: 5595.75, 0.00395177/step, 1.20815 hours remaining, 114.328125 MB of memory in use. ENERGY: 1399400 646.2444 1869.1652 2002.8466 104.2176 -0.4230 -1085.1946 0.0000 0.0000 2681.3744 6218.2305 296.1653 3536.8562 6253.6860 301.0866 PRESSURE: 1399600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1399600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1399600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1399600 0 0 0 0 0 0 0 0 0 TIMING: 1399600 CPU: 5596.54, 0.00394843/step Wall: 5596.54, 0.00394843/step, 1.2069 hours remaining, 114.332031 MB of memory in use. ENERGY: 1399600 662.2077 1909.1285 1961.9500 108.2864 1.2137 -1103.8838 0.0000 0.0000 2650.8132 6189.7157 292.7897 3538.9025 6221.3638 296.8858 PRESSURE: 1399800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1399800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1399800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1399800 0 0 0 0 0 0 0 0 0 TIMING: 1399800 CPU: 5597.33, 0.003952/step Wall: 5597.33, 0.003952/step, 1.20778 hours remaining, 114.332031 MB of memory in use. ENERGY: 1399800 688.0865 1843.8433 1987.3728 115.1427 1.4827 -1058.3810 0.0000 0.0000 2668.8589 6246.4059 294.7829 3577.5470 6275.7343 299.7213 PRESSURE: 1400000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1400000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1400000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1400000 0 0 0 0 0 0 0 0 0 TIMING: 1400000 CPU: 5598.12, 0.00395252/step Wall: 5598.12, 0.00395252/step, 1.20771 hours remaining, 114.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1400000 694.3945 1860.3162 1969.5322 105.1254 1.0869 -1073.3613 0.0000 0.0000 2670.1068 6227.2007 294.9207 3557.0939 6257.7957 299.9647 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1400200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1400200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1400200 0 0 0 0 0 0 0 0 0 TIMING: 1400200 CPU: 5598.96, 0.00419591/step Wall: 5598.96, 0.00419591/step, 1.28185 hours remaining, 114.335938 MB of memory in use. ENERGY: 1400200 643.2186 1847.7027 1966.8518 110.6827 0.4648 -1097.7329 0.0000 0.0000 2776.7057 6247.8933 306.6949 3471.1876 6283.1283 299.3562 LDB: ============= START OF LOAD BALANCING ============== 5601.92 LDB: ============== END OF LOAD BALANCING =============== 5601.92 LDB: =============== DONE WITH MIGRATION ================ 5601.92 LDB: ============= START OF LOAD BALANCING ============== 5602.32 LDB: ============== END OF LOAD BALANCING =============== 5602.32 LDB: =============== DONE WITH MIGRATION ================ 5602.32 PRESSURE: 1400400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1400400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1400400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1400400 0 0 0 0 0 0 0 0 0 TIMING: 1400400 CPU: 5599.75, 0.00395851/step Wall: 5599.75, 0.00395851/step, 1.2091 hours remaining, 114.339844 MB of memory in use. ENERGY: 1400400 659.6931 1838.3311 1956.3714 107.2039 0.6654 -1089.2634 0.0000 0.0000 2740.4221 6213.4236 302.6873 3473.0015 6247.7991 301.6315 PRESSURE: 1400600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1400600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1400600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1400600 0 0 0 0 0 0 0 0 0 TIMING: 1400600 CPU: 5600.54, 0.00394976/step Wall: 5600.54, 0.00394976/step, 1.20621 hours remaining, 114.339844 MB of memory in use. ENERGY: 1400600 687.8775 1836.1577 1976.6250 119.0131 2.5492 -1089.0347 0.0000 0.0000 2680.1618 6213.3496 296.0313 3533.1878 6246.1633 301.7126 PRESSURE: 1400800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1400800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1400800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1400800 0 0 0 0 0 0 0 0 0 TIMING: 1400800 CPU: 5601.33, 0.00395368/step Wall: 5601.33, 0.00395368/step, 1.20719 hours remaining, 114.339844 MB of memory in use. ENERGY: 1400800 645.5370 1833.1823 1944.5550 98.4588 3.1286 -1094.8877 0.0000 0.0000 2754.7403 6184.7142 304.2687 3429.9739 6218.1242 298.4133 PRESSURE: 1401000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1401000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1401000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1401000 0 0 0 0 0 0 0 0 0 TIMING: 1401000 CPU: 5602.13, 0.00395375/step Wall: 5602.13, 0.00395375/step, 1.20699 hours remaining, 114.339844 MB of memory in use. ENERGY: 1401000 673.9799 1822.4656 1988.2947 105.5741 1.2900 -1093.8632 0.0000 0.0000 2683.1540 6180.8950 296.3618 3497.7411 6214.9419 296.4884 PRESSURE: 1401200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1401200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1401200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1401200 0 0 0 0 0 0 0 0 0 TIMING: 1401200 CPU: 5602.92, 0.00395095/step Wall: 5602.92, 0.00395095/step, 1.20592 hours remaining, 114.339844 MB of memory in use. ENERGY: 1401200 628.0809 1870.6530 1980.2415 111.0265 1.5847 -1071.6793 0.0000 0.0000 2667.5969 6187.5041 294.6435 3519.9072 6219.2790 297.1583 PRESSURE: 1401400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1401400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1401400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1401400 0 0 0 0 0 0 0 0 0 TIMING: 1401400 CPU: 5603.71, 0.00395296/step Wall: 5603.71, 0.00395296/step, 1.20631 hours remaining, 114.339844 MB of memory in use. ENERGY: 1401400 652.4958 1835.0972 1996.6238 102.2214 1.5055 -1075.8272 0.0000 0.0000 2701.3668 6213.4832 298.3735 3512.1164 6245.6604 299.0649 PRESSURE: 1401600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1401600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1401600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1401600 0 0 0 0 0 0 0 0 0 TIMING: 1401600 CPU: 5604.5, 0.00394896/step Wall: 5604.5, 0.00394896/step, 1.20487 hours remaining, 114.339844 MB of memory in use. ENERGY: 1401600 687.1207 1796.4502 1963.6394 101.4660 1.8988 -1069.0469 0.0000 0.0000 2730.5364 6212.0646 301.5954 3481.5282 6244.1300 300.4212 PRESSURE: 1401800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1401800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1401800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1401800 0 0 0 0 0 0 0 0 0 TIMING: 1401800 CPU: 5605.29, 0.00395128/step Wall: 5605.29, 0.00395128/step, 1.20536 hours remaining, 114.343750 MB of memory in use. ENERGY: 1401800 626.2302 1843.8487 1978.9278 115.7533 1.1194 -1087.9575 0.0000 0.0000 2706.0245 6183.9463 298.8879 3477.9219 6218.5025 296.6523 PRESSURE: 1402000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1402000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1402000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1402000 0 0 0 0 0 0 0 0 0 TIMING: 1402000 CPU: 5606.08, 0.00395134/step Wall: 5606.08, 0.00395134/step, 1.20516 hours remaining, 114.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1402000 660.2216 1808.7798 1985.2357 102.7785 0.4735 -1093.7182 0.0000 0.0000 2698.2250 6161.9961 298.0265 3463.7710 6193.4552 296.4099 PRESSURE: 1402200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1402200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1402200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1402200 0 0 0 0 0 0 0 0 0 TIMING: 1402200 CPU: 5606.87, 0.003951/step Wall: 5606.87, 0.003951/step, 1.20484 hours remaining, 114.351562 MB of memory in use. ENERGY: 1402200 701.7580 1812.9149 1971.9212 106.9655 -0.0324 -1090.5095 0.0000 0.0000 2684.0947 6187.1124 296.4657 3503.0177 6220.1574 296.9347 PRESSURE: 1402400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1402400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1402400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1402400 0 0 0 0 0 0 0 0 0 TIMING: 1402400 CPU: 5607.66, 0.0039484/step Wall: 5607.66, 0.0039484/step, 1.20382 hours remaining, 114.351562 MB of memory in use. ENERGY: 1402400 666.7726 1840.3755 1956.5326 105.7830 -0.1327 -1081.7421 0.0000 0.0000 2687.0165 6174.6053 296.7885 3487.5888 6203.1477 297.4653 PRESSURE: 1402600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1402600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1402600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1402600 0 0 0 0 0 0 0 0 0 TIMING: 1402600 CPU: 5608.45, 0.00395238/step Wall: 5608.45, 0.00395238/step, 1.20482 hours remaining, 114.351562 MB of memory in use. ENERGY: 1402600 639.0798 1848.6711 1931.0920 116.5370 0.7100 -1070.9698 0.0000 0.0000 2690.8979 6156.0180 297.2172 3465.1201 6189.8233 297.0722 PRESSURE: 1402800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1402800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1402800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1402800 0 0 0 0 0 0 0 0 0 TIMING: 1402800 CPU: 5609.24, 0.00395266/step Wall: 5609.24, 0.00395266/step, 1.20468 hours remaining, 114.351562 MB of memory in use. ENERGY: 1402800 641.2104 1826.2373 1979.6878 116.9284 1.0499 -1100.8293 0.0000 0.0000 2697.0016 6161.2860 297.8913 3464.2844 6192.9956 295.7834 PRESSURE: 1403000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1403000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1403000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1403000 0 0 0 0 0 0 0 0 0 TIMING: 1403000 CPU: 5610.03, 0.00395281/step Wall: 5610.03, 0.00395281/step, 1.20451 hours remaining, 114.351562 MB of memory in use. ENERGY: 1403000 647.2184 1800.0954 1957.2634 104.5158 -0.5412 -1072.6143 0.0000 0.0000 2662.9548 6098.8923 294.1308 3435.9375 6131.3326 293.8255 PRESSURE: 1403200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1403200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1403200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1403200 0 0 0 0 0 0 0 0 0 TIMING: 1403200 CPU: 5610.82, 0.00395215/step Wall: 5610.82, 0.00395215/step, 1.20409 hours remaining, 114.351562 MB of memory in use. ENERGY: 1403200 640.4753 1824.0322 1948.8096 109.9814 0.3379 -1102.3503 0.0000 0.0000 2664.3670 6085.6530 294.2868 3421.2860 6120.2119 292.2514 PRESSURE: 1403400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1403400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1403400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1403400 0 0 0 0 0 0 0 0 0 TIMING: 1403400 CPU: 5611.61, 0.00395096/step Wall: 5611.61, 0.00395096/step, 1.20351 hours remaining, 114.355469 MB of memory in use. ENERGY: 1403400 622.8605 1847.3974 1951.8387 104.7694 0.0364 -1114.6702 0.0000 0.0000 2651.1324 6063.3645 292.8250 3412.2321 6093.7133 292.9590 PRESSURE: 1403600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1403600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1403600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1403600 0 0 0 0 0 0 0 0 0 TIMING: 1403600 CPU: 5612.4, 0.003952/step Wall: 5612.4, 0.003952/step, 1.2036 hours remaining, 114.359375 MB of memory in use. ENERGY: 1403600 681.6646 1838.7748 1959.9660 103.7600 0.0971 -1149.8390 0.0000 0.0000 2639.6165 6074.0400 291.5530 3434.4235 6103.1612 291.4755 PRESSURE: 1403800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1403800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1403800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1403800 0 0 0 0 0 0 0 0 0 TIMING: 1403800 CPU: 5613.19, 0.00395228/step Wall: 5613.19, 0.00395227/step, 1.20347 hours remaining, 114.359375 MB of memory in use. ENERGY: 1403800 647.3417 1833.1230 1968.8051 105.4028 0.7091 -1105.1123 0.0000 0.0000 2636.4296 6086.6992 291.2010 3450.2696 6119.0480 293.1381 PRESSURE: 1404000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1404000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1404000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1404000 0 0 0 0 0 0 0 0 0 TIMING: 1404000 CPU: 5613.98, 0.00395096/step Wall: 5613.98, 0.00395097/step, 1.20285 hours remaining, 114.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1404000 631.2624 1843.4833 1970.4294 106.2651 0.6692 -1098.3553 0.0000 0.0000 2669.1737 6122.9277 294.8177 3453.7541 6154.8346 293.8914 PRESSURE: 1404200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1404200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1404200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1404200 0 0 0 0 0 0 0 0 0 TIMING: 1404200 CPU: 5614.77, 0.00395359/step Wall: 5614.77, 0.00395359/step, 1.20343 hours remaining, 114.359375 MB of memory in use. ENERGY: 1404200 679.1511 1780.9441 1994.6329 95.9735 0.2365 -1096.0436 0.0000 0.0000 2692.0463 6146.9407 297.3440 3454.8944 6178.0958 296.3298 LDB: ============= START OF LOAD BALANCING ============== 5617.73 LDB: ============== END OF LOAD BALANCING =============== 5617.73 LDB: =============== DONE WITH MIGRATION ================ 5617.73 LDB: ============= START OF LOAD BALANCING ============== 5618.13 LDB: ============== END OF LOAD BALANCING =============== 5618.13 LDB: =============== DONE WITH MIGRATION ================ 5618.13 PRESSURE: 1404400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1404400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1404400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1404400 0 0 0 0 0 0 0 0 0 TIMING: 1404400 CPU: 5615.56, 0.00395231/step Wall: 5615.56, 0.00395231/step, 1.20282 hours remaining, 114.363281 MB of memory in use. ENERGY: 1404400 668.4762 1787.1098 1989.3577 108.5307 1.8202 -1105.3920 0.0000 0.0000 2686.2646 6136.1672 296.7054 3449.9026 6170.1456 294.7357 PRESSURE: 1404600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1404600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1404600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1404600 0 0 0 0 0 0 0 0 0 TIMING: 1404600 CPU: 5616.35, 0.0039511/step Wall: 5616.35, 0.0039511/step, 1.20223 hours remaining, 114.363281 MB of memory in use. ENERGY: 1404600 683.5622 1820.3798 2003.0394 106.4230 1.1006 -1120.2358 0.0000 0.0000 2678.5897 6172.8590 295.8577 3494.2693 6208.7299 295.1096 PRESSURE: 1404800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1404800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1404800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1404800 0 0 0 0 0 0 0 0 0 TIMING: 1404800 CPU: 5617.14, 0.00395234/step Wall: 5617.14, 0.00395234/step, 1.20239 hours remaining, 114.363281 MB of memory in use. ENERGY: 1404800 677.4129 1855.0338 1999.1114 116.4652 0.3196 -1123.0203 0.0000 0.0000 2657.3631 6182.6856 293.5132 3525.3225 6214.8818 298.4100 PRESSURE: 1405000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1405000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1405000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1405000 0 0 0 0 0 0 0 0 0 TIMING: 1405000 CPU: 5617.93, 0.00395208/step Wall: 5617.93, 0.00395208/step, 1.20209 hours remaining, 114.363281 MB of memory in use. ENERGY: 1405000 632.7135 1883.8878 1998.1892 105.6035 1.8536 -1099.0349 0.0000 0.0000 2709.9303 6233.1430 299.3194 3523.2127 6268.0666 298.8781 PRESSURE: 1405200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1405200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1405200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1405200 0 0 0 0 0 0 0 0 0 TIMING: 1405200 CPU: 5618.72, 0.00395669/step Wall: 5618.72, 0.00395669/step, 1.20327 hours remaining, 114.363281 MB of memory in use. ENERGY: 1405200 676.3618 1850.4065 1983.0834 126.5167 1.9656 -1113.8976 0.0000 0.0000 2730.4693 6254.9057 301.5879 3524.4364 6288.3740 302.3754 PRESSURE: 1405400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1405400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1405400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1405400 0 0 0 0 0 0 0 0 0 TIMING: 1405400 CPU: 5619.51, 0.00395554/step Wall: 5619.51, 0.00395554/step, 1.2027 hours remaining, 114.363281 MB of memory in use. ENERGY: 1405400 664.2244 1855.5401 1979.9734 117.2354 0.5888 -1094.5755 0.0000 0.0000 2759.9489 6282.9355 304.8440 3522.9866 6318.1351 303.2140 PRESSURE: 1405600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1405600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1405600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1405600 0 0 0 0 0 0 0 0 0 TIMING: 1405600 CPU: 5620.3, 0.00395062/step Wall: 5620.3, 0.00395062/step, 1.20099 hours remaining, 114.363281 MB of memory in use. ENERGY: 1405600 672.6870 1818.3853 1968.3157 110.7482 0.7913 -1069.3598 0.0000 0.0000 2720.0451 6221.6128 300.4366 3501.5677 6252.6429 300.5245 PRESSURE: 1405800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1405800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1405800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1405800 0 0 0 0 0 0 0 0 0 TIMING: 1405800 CPU: 5621.1, 0.00395118/step Wall: 5621.1, 0.00395118/step, 1.20094 hours remaining, 114.363281 MB of memory in use. ENERGY: 1405800 660.4818 1813.5534 1986.5174 106.5313 2.0655 -1102.0779 0.0000 0.0000 2713.4472 6180.5188 299.7078 3467.0716 6215.0608 298.1215 PRESSURE: 1406000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1406000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1406000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1406000 0 0 0 0 0 0 0 0 0 TIMING: 1406000 CPU: 5621.88, 0.00394835/step Wall: 5621.88, 0.00394835/step, 1.19986 hours remaining, 114.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1406000 671.8292 1828.0337 1938.7198 99.6094 1.0029 -1072.5034 0.0000 0.0000 2672.4322 6139.1238 295.1776 3466.6916 6172.3091 296.4946 PRESSURE: 1406200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1406200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1406200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1406200 0 0 0 0 0 0 0 0 0 TIMING: 1406200 CPU: 5622.67, 0.00394393/step Wall: 5622.67, 0.00394393/step, 1.1983 hours remaining, 114.363281 MB of memory in use. ENERGY: 1406200 621.1867 1852.9246 1961.4194 107.9256 1.4289 -1062.3928 0.0000 0.0000 2687.6324 6170.1248 296.8565 3482.4924 6202.1622 296.1068 PRESSURE: 1406400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1406400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1406400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1406400 0 0 0 0 0 0 0 0 0 TIMING: 1406400 CPU: 5623.47, 0.0039655/step Wall: 5623.47, 0.0039655/step, 1.20463 hours remaining, 114.363281 MB of memory in use. ENERGY: 1406400 646.5707 1847.7073 1972.2648 106.0077 0.4708 -1083.7098 0.0000 0.0000 2679.6772 6168.9887 295.9778 3489.3115 6200.8704 298.2650 PRESSURE: 1406600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1406600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1406600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1406600 0 0 0 0 0 0 0 0 0 TIMING: 1406600 CPU: 5624.26, 0.00395471/step Wall: 5624.26, 0.00395471/step, 1.20113 hours remaining, 114.363281 MB of memory in use. ENERGY: 1406600 666.5545 1812.6489 2001.5632 105.6541 0.6913 -1085.0354 0.0000 0.0000 2700.0923 6202.1690 298.2327 3502.0767 6236.2300 298.1290 PRESSURE: 1406800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1406800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1406800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1406800 0 0 0 0 0 0 0 0 0 TIMING: 1406800 CPU: 5625.05, 0.00395763/step Wall: 5625.05, 0.00395763/step, 1.2018 hours remaining, 114.367188 MB of memory in use. ENERGY: 1406800 631.4879 1822.2999 1972.9354 102.1815 0.9795 -1074.5110 0.0000 0.0000 2679.8286 6135.2018 295.9945 3455.3732 6170.1650 298.4590 PRESSURE: 1407000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1407000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1407000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1407000 0 0 0 0 0 0 0 0 0 TIMING: 1407000 CPU: 5625.84, 0.00395144/step Wall: 5625.84, 0.00395144/step, 1.1997 hours remaining, 114.367188 MB of memory in use. ENERGY: 1407000 673.6158 1779.6951 1953.1439 107.1352 1.0964 -1123.0653 0.0000 0.0000 2690.2409 6081.8619 297.1446 3391.6211 6115.5454 293.3998 PRESSURE: 1407200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1407200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1407200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1407200 0 0 0 0 0 0 0 0 0 TIMING: 1407200 CPU: 5626.63, 0.00394879/step Wall: 5626.63, 0.00394879/step, 1.19868 hours remaining, 114.367188 MB of memory in use. ENERGY: 1407200 582.9769 1796.1995 1985.4043 103.9965 1.8800 -1054.7653 0.0000 0.0000 2696.3622 6112.0540 297.8207 3415.6919 6143.7858 294.1490 PRESSURE: 1407400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1407400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1407400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1407400 0 0 0 0 0 0 0 0 0 TIMING: 1407400 CPU: 5627.42, 0.00395192/step Wall: 5627.42, 0.00395192/step, 1.19941 hours remaining, 114.367188 MB of memory in use. ENERGY: 1407400 603.9481 1789.9136 1982.4143 98.2268 1.0504 -1027.8230 0.0000 0.0000 2651.0217 6098.7519 292.8127 3447.7302 6132.3709 295.4077 PRESSURE: 1407600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1407600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1407600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1407600 0 0 0 0 0 0 0 0 0 TIMING: 1407600 CPU: 5628.21, 0.00394977/step Wall: 5628.21, 0.00394977/step, 1.19854 hours remaining, 114.367188 MB of memory in use. ENERGY: 1407600 618.2635 1809.7417 1964.5008 118.3224 1.7173 -1077.7136 0.0000 0.0000 2689.3605 6124.1926 297.0474 3434.8322 6158.8403 293.7198 PRESSURE: 1407800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1407800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1407800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1407800 0 0 0 0 0 0 0 0 0 TIMING: 1407800 CPU: 5629, 0.00396659/step Wall: 5629, 0.00396659/step, 1.20342 hours remaining, 114.367188 MB of memory in use. ENERGY: 1407800 651.9913 1816.4109 1977.7994 114.2105 0.8197 -1081.1561 0.0000 0.0000 2681.5977 6161.6736 296.1899 3480.0759 6193.8210 293.8391 PRESSURE: 1408000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1408000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1408000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1408000 0 0 0 0 0 0 0 0 0 TIMING: 1408000 CPU: 5629.8, 0.00397183/step Wall: 5629.8, 0.00397183/step, 1.20479 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1408000 615.6880 1783.7268 1998.9631 111.6622 1.9876 -1061.6756 0.0000 0.0000 2724.7380 6175.0901 300.9549 3450.3521 6210.0650 296.4475 PRESSURE: 1408200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1408200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1408200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1408200 0 0 0 0 0 0 0 0 0 TIMING: 1408200 CPU: 5630.59, 0.00394763/step Wall: 5630.59, 0.00394763/step, 1.19723 hours remaining, 114.367188 MB of memory in use. ENERGY: 1408200 647.7195 1773.9113 1988.5541 107.4041 0.7112 -1108.1451 0.0000 0.0000 2750.1548 6160.3099 303.7623 3410.1551 6194.2177 295.3095 LDB: ============= START OF LOAD BALANCING ============== 5633.55 LDB: ============== END OF LOAD BALANCING =============== 5633.55 LDB: =============== DONE WITH MIGRATION ================ 5633.55 LDB: ============= START OF LOAD BALANCING ============== 5633.94 LDB: ============== END OF LOAD BALANCING =============== 5633.94 LDB: =============== DONE WITH MIGRATION ================ 5633.94 PRESSURE: 1408400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1408400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1408400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1408400 0 0 0 0 0 0 0 0 0 TIMING: 1408400 CPU: 5631.38, 0.00396018/step Wall: 5631.38, 0.00396018/step, 1.20081 hours remaining, 114.367188 MB of memory in use. ENERGY: 1408400 639.8572 1826.2242 1967.2686 109.7154 1.5337 -1056.8653 0.0000 0.0000 2668.5758 6156.3096 294.7516 3487.7338 6188.1144 296.0210 PRESSURE: 1408600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1408600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1408600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1408600 0 0 0 0 0 0 0 0 0 TIMING: 1408600 CPU: 5632.17, 0.0039527/step Wall: 5632.17, 0.0039527/step, 1.19833 hours remaining, 114.367188 MB of memory in use. ENERGY: 1408600 633.8200 1828.0316 1980.3019 103.3010 1.0957 -1056.4063 0.0000 0.0000 2701.3547 6191.4986 298.3722 3490.1439 6224.2412 298.0302 PRESSURE: 1408800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1408800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1408800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1408800 0 0 0 0 0 0 0 0 0 TIMING: 1408800 CPU: 5632.96, 0.0039531/step Wall: 5632.96, 0.0039531/step, 1.19823 hours remaining, 114.367188 MB of memory in use. ENERGY: 1408800 644.8337 1839.5444 1991.4654 117.1993 2.2550 -1083.7587 0.0000 0.0000 2697.5678 6209.1069 297.9539 3511.5391 6243.0656 297.8823 PRESSURE: 1409000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1409000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1409000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1409000 0 0 0 0 0 0 0 0 0 TIMING: 1409000 CPU: 5633.75, 0.00395002/step Wall: 5633.75, 0.00395002/step, 1.19708 hours remaining, 114.367188 MB of memory in use. ENERGY: 1409000 657.3826 1834.7882 1988.0176 111.6414 1.0576 -1042.8480 0.0000 0.0000 2705.8030 6255.8425 298.8635 3550.0394 6288.5773 301.9822 PRESSURE: 1409200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1409200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1409200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1409200 0 0 0 0 0 0 0 0 0 TIMING: 1409200 CPU: 5634.54, 0.00395312/step Wall: 5634.54, 0.00395312/step, 1.1978 hours remaining, 114.367188 MB of memory in use. ENERGY: 1409200 684.1396 1860.5305 1978.4360 115.2951 0.2594 -1053.5206 0.0000 0.0000 2671.3494 6256.4893 295.0580 3585.1399 6288.0610 303.1196 PRESSURE: 1409400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1409400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1409400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1409400 0 0 0 0 0 0 0 0 0 TIMING: 1409400 CPU: 5635.33, 0.00395438/step Wall: 5635.33, 0.00395438/step, 1.19796 hours remaining, 114.367188 MB of memory in use. ENERGY: 1409400 680.9684 1850.5959 1992.8550 116.8085 -0.1088 -1089.7491 0.0000 0.0000 2670.1376 6221.5074 294.9241 3551.3698 6252.8970 300.7794 PRESSURE: 1409600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1409600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1409600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1409600 0 0 0 0 0 0 0 0 0 TIMING: 1409600 CPU: 5636.12, 0.00395522/step Wall: 5636.12, 0.00395522/step, 1.19799 hours remaining, 114.367188 MB of memory in use. ENERGY: 1409600 626.9463 1807.1307 1982.9996 123.7848 0.8336 -1058.0852 0.0000 0.0000 2738.6603 6222.2701 302.4927 3483.6098 6255.3186 298.8714 PRESSURE: 1409800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1409800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1409800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1409800 0 0 0 0 0 0 0 0 0 TIMING: 1409800 CPU: 5636.91, 0.00395295/step Wall: 5636.91, 0.00395295/step, 1.19709 hours remaining, 114.367188 MB of memory in use. ENERGY: 1409800 653.3374 1827.6178 2014.3379 104.5480 0.3632 -1102.0241 0.0000 0.0000 2703.3589 6201.5391 298.5935 3498.1802 6234.3292 298.5741 PRESSURE: 1410000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1410000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1410000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1410000 0 0 0 0 0 0 0 0 0 TIMING: 1410000 CPU: 5637.7, 0.00395019/step Wall: 5637.7, 0.00395019/step, 1.19603 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1410000 653.9933 1857.0087 2003.2277 106.0046 0.7965 -1071.1116 0.0000 0.0000 2698.9308 6248.8501 298.1044 3549.9193 6279.4248 299.5637 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1410000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1410000 WRITING COORDINATES TO RESTART FILE AT STEP 1410000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1410000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1410200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1410200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1410200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1410200 0 0 0 0 0 0 0 0 0 TIMING: 1410200 CPU: 5639.05, 0.00672078/step Wall: 5639.05, 0.00672078/step, 2.03453 hours remaining, 114.367188 MB of memory in use. ENERGY: 1410200 656.3569 1812.6066 1997.7194 106.2839 0.5255 -1094.8281 0.0000 0.0000 2742.1696 6220.8339 302.8803 3478.6643 6253.1361 301.6804 PRESSURE: 1410400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1410400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1410400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1410400 0 0 0 0 0 0 0 0 0 TIMING: 1410400 CPU: 5639.84, 0.00395258/step Wall: 5639.84, 0.00395258/step, 1.19631 hours remaining, 114.367188 MB of memory in use. ENERGY: 1410400 654.9566 1823.8810 1983.5994 103.3586 3.1623 -1050.7594 0.0000 0.0000 2667.9695 6186.1680 294.6847 3518.1984 6217.3174 297.0244 PRESSURE: 1410600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1410600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1410600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1410600 0 0 0 0 0 0 0 0 0 TIMING: 1410600 CPU: 5640.63, 0.00394786/step Wall: 5640.63, 0.00394786/step, 1.19467 hours remaining, 114.367188 MB of memory in use. ENERGY: 1410600 652.3631 1795.9405 1951.2342 100.8294 2.7321 -1040.3062 0.0000 0.0000 2728.9927 6191.7858 301.4248 3462.7931 6225.2913 296.7386 PRESSURE: 1410800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1410800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1410800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1410800 0 0 0 0 0 0 0 0 0 TIMING: 1410800 CPU: 5641.42, 0.00395448/step Wall: 5641.42, 0.00395448/step, 1.19645 hours remaining, 114.367188 MB of memory in use. ENERGY: 1410800 640.5031 1845.1408 1981.7013 109.2765 2.3351 -1083.9304 0.0000 0.0000 2698.8384 6193.8649 298.0942 3495.0265 6226.1081 295.9061 PRESSURE: 1411000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1411000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1411000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1411000 0 0 0 0 0 0 0 0 0 TIMING: 1411000 CPU: 5642.21, 0.00395155/step Wall: 5642.21, 0.00395155/step, 1.19534 hours remaining, 114.367188 MB of memory in use. ENERGY: 1411000 663.2180 1804.6640 1980.3300 110.2827 0.9858 -1079.1852 0.0000 0.0000 2691.2719 6171.5672 297.2585 3480.2954 6203.1748 297.3131 PRESSURE: 1411200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1411200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1411200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1411200 0 0 0 0 0 0 0 0 0 TIMING: 1411200 CPU: 5643, 0.00395274/step Wall: 5643, 0.00395274/step, 1.19549 hours remaining, 114.367188 MB of memory in use. ENERGY: 1411200 642.1286 1870.8481 1967.6386 114.6306 2.5176 -1082.1122 0.0000 0.0000 2683.4073 6199.0586 296.3898 3515.6513 6233.2504 299.0328 PRESSURE: 1411400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1411400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1411400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1411400 0 0 0 0 0 0 0 0 0 TIMING: 1411400 CPU: 5643.79, 0.00395348/step Wall: 5643.79, 0.00395348/step, 1.19549 hours remaining, 114.367188 MB of memory in use. ENERGY: 1411400 704.3700 1782.8741 2003.2316 107.2458 1.8374 -1090.9294 0.0000 0.0000 2689.6755 6198.3051 297.0822 3508.6296 6230.5315 297.7767 PRESSURE: 1411600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1411600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1411600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1411600 0 0 0 0 0 0 0 0 0 TIMING: 1411600 CPU: 5644.58, 0.00394738/step Wall: 5644.58, 0.00394738/step, 1.19343 hours remaining, 114.367188 MB of memory in use. ENERGY: 1411600 644.1047 1826.5997 1977.5942 101.6907 2.4703 -1102.5297 0.0000 0.0000 2671.6663 6121.5962 295.0930 3449.9299 6153.5680 295.0505 PRESSURE: 1411800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1411800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1411800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1411800 0 0 0 0 0 0 0 0 0 TIMING: 1411800 CPU: 5645.37, 0.00395313/step Wall: 5645.37, 0.00395313/step, 1.19494 hours remaining, 114.367188 MB of memory in use. ENERGY: 1411800 645.8733 1806.7728 2008.1947 104.0661 1.5893 -1085.5335 0.0000 0.0000 2601.1333 6082.0961 287.3024 3480.9628 6112.3093 294.7610 PRESSURE: 1412000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1412000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1412000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1412000 0 0 0 0 0 0 0 0 0 TIMING: 1412000 CPU: 5646.16, 0.00395255/step Wall: 5646.16, 0.00395255/step, 1.19455 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1412000 584.1083 1822.1526 1988.9146 103.7095 3.7080 -1074.6194 0.0000 0.0000 2687.9614 6115.9351 296.8928 3427.9737 6147.7312 293.9730 PRESSURE: 1412200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1412200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1412200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1412200 0 0 0 0 0 0 0 0 0 TIMING: 1412200 CPU: 5646.95, 0.00395241/step Wall: 5646.95, 0.00395241/step, 1.19429 hours remaining, 114.367188 MB of memory in use. ENERGY: 1412200 626.3933 1796.7477 2007.6142 121.7039 4.0556 -1059.4657 0.0000 0.0000 2609.9515 6107.0005 288.2764 3497.0490 6136.9886 294.3548 LDB: ============= START OF LOAD BALANCING ============== 5649.91 LDB: ============== END OF LOAD BALANCING =============== 5649.91 LDB: =============== DONE WITH MIGRATION ================ 5649.91 LDB: ============= START OF LOAD BALANCING ============== 5650.31 LDB: ============== END OF LOAD BALANCING =============== 5650.31 LDB: =============== DONE WITH MIGRATION ================ 5650.31 PRESSURE: 1412400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1412400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1412400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1412400 0 0 0 0 0 0 0 0 0 TIMING: 1412400 CPU: 5647.74, 0.00395262/step Wall: 5647.74, 0.00395262/step, 1.19413 hours remaining, 114.367188 MB of memory in use. ENERGY: 1412400 634.8560 1807.6359 1974.1644 113.6840 3.3446 -1031.8784 0.0000 0.0000 2680.0064 6181.8130 296.0142 3501.8066 6214.2199 295.5360 PRESSURE: 1412600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1412600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1412600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1412600 0 0 0 0 0 0 0 0 0 TIMING: 1412600 CPU: 5648.53, 0.00395243/step Wall: 5648.53, 0.00395243/step, 1.19385 hours remaining, 114.367188 MB of memory in use. ENERGY: 1412600 639.8437 1819.8255 1969.7561 108.8793 3.0997 -1049.8387 0.0000 0.0000 2682.6332 6174.1988 296.3043 3491.5656 6205.9842 296.1049 PRESSURE: 1412800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1412800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1412800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1412800 0 0 0 0 0 0 0 0 0 TIMING: 1412800 CPU: 5649.32, 0.00395375/step Wall: 5649.32, 0.00395375/step, 1.19403 hours remaining, 114.367188 MB of memory in use. ENERGY: 1412800 645.3568 1832.7651 1982.8285 95.4725 1.8511 -1056.0657 0.0000 0.0000 2683.1978 6185.4062 296.3667 3502.2084 6216.5836 297.0930 PRESSURE: 1413000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1413000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1413000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1413000 0 0 0 0 0 0 0 0 0 TIMING: 1413000 CPU: 5650.11, 0.00395246/step Wall: 5650.11, 0.00395246/step, 1.19342 hours remaining, 114.367188 MB of memory in use. ENERGY: 1413000 629.9229 1846.8841 1968.6669 111.5361 2.5899 -1055.9120 0.0000 0.0000 2675.8271 6179.5150 295.5526 3503.6879 6211.5946 296.9630 PRESSURE: 1413200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1413200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1413200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1413200 0 0 0 0 0 0 0 0 0 TIMING: 1413200 CPU: 5650.9, 0.00395254/step Wall: 5650.9, 0.00395254/step, 1.19323 hours remaining, 114.367188 MB of memory in use. ENERGY: 1413200 695.0509 1888.7396 1965.4414 106.1035 2.1159 -1095.5930 0.0000 0.0000 2610.2365 6172.0949 288.3079 3561.8583 6200.3014 296.3100 PRESSURE: 1413400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1413400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1413400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1413400 0 0 0 0 0 0 0 0 0 TIMING: 1413400 CPU: 5651.69, 0.00394892/step Wall: 5651.69, 0.00394892/step, 1.19192 hours remaining, 114.367188 MB of memory in use. ENERGY: 1413400 680.9649 1827.3131 1942.6238 107.8872 2.5150 -1081.4894 0.0000 0.0000 2739.6298 6219.4445 302.5997 3479.8148 6252.6279 299.1649 PRESSURE: 1413600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1413600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1413600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1413600 0 0 0 0 0 0 0 0 0 TIMING: 1413600 CPU: 5652.48, 0.00395216/step Wall: 5652.48, 0.00395216/step, 1.19268 hours remaining, 114.367188 MB of memory in use. ENERGY: 1413600 648.8529 1841.3095 1981.9445 102.0876 1.3133 -1087.5171 0.0000 0.0000 2696.3235 6184.3142 297.8164 3487.9907 6214.6192 298.9564 PRESSURE: 1413800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1413800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1413800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1413800 0 0 0 0 0 0 0 0 0 TIMING: 1413800 CPU: 5653.27, 0.00395079/step Wall: 5653.27, 0.00395079/step, 1.19204 hours remaining, 114.367188 MB of memory in use. ENERGY: 1413800 684.8742 1835.7379 1968.1272 104.4616 0.2723 -1081.9168 0.0000 0.0000 2695.6804 6207.2368 297.7454 3511.5564 6236.4940 297.4174 PRESSURE: 1414000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1414000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1414000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1414000 0 0 0 0 0 0 0 0 0 TIMING: 1414000 CPU: 5654.06, 0.00395077/step Wall: 5654.06, 0.00395077/step, 1.19181 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1414000 640.2208 1825.6204 1970.1237 102.6192 1.2261 -1073.3289 0.0000 0.0000 2679.5152 6145.9965 295.9599 3466.4813 6179.6076 298.1874 PRESSURE: 1414200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1414200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1414200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1414200 0 0 0 0 0 0 0 0 0 TIMING: 1414200 CPU: 5654.85, 0.00395291/step Wall: 5654.85, 0.00395291/step, 1.19224 hours remaining, 114.367188 MB of memory in use. ENERGY: 1414200 609.4631 1858.1455 1982.7597 96.3861 0.7608 -1087.2186 0.0000 0.0000 2714.9653 6175.2619 299.8755 3460.2966 6210.5874 299.0923 PRESSURE: 1414400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1414400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1414400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1414400 0 0 0 0 0 0 0 0 0 TIMING: 1414400 CPU: 5655.64, 0.00394861/step Wall: 5655.64, 0.00394861/step, 1.19072 hours remaining, 114.367188 MB of memory in use. ENERGY: 1414400 625.1877 1804.6742 1962.0069 111.4333 2.5795 -1092.2897 0.0000 0.0000 2760.8453 6174.4372 304.9431 3413.5919 6210.5771 296.5243 PRESSURE: 1414600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1414600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1414600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1414600 0 0 0 0 0 0 0 0 0 TIMING: 1414600 CPU: 5656.44, 0.00395314/step Wall: 5656.44, 0.00395314/step, 1.19187 hours remaining, 114.367188 MB of memory in use. ENERGY: 1414600 635.1935 1777.6632 1971.4873 99.4505 2.2240 -1069.3292 0.0000 0.0000 2680.2816 6096.9710 296.0446 3416.6894 6130.5912 296.7744 PRESSURE: 1414800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1414800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1414800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1414800 0 0 0 0 0 0 0 0 0 TIMING: 1414800 CPU: 5657.23, 0.00395321/step Wall: 5657.23, 0.00395321/step, 1.19167 hours remaining, 114.367188 MB of memory in use. ENERGY: 1414800 657.2069 1819.2857 1953.6626 118.5472 1.5162 -1091.7171 0.0000 0.0000 2696.6222 6155.1238 297.8494 3458.5016 6185.9865 294.3242 PRESSURE: 1415000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1415000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1415000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1415000 0 0 0 0 0 0 0 0 0 TIMING: 1415000 CPU: 5658.02, 0.00395196/step Wall: 5658.02, 0.00395196/step, 1.19108 hours remaining, 114.367188 MB of memory in use. ENERGY: 1415000 635.3639 1825.5366 1960.1208 113.9790 1.2651 -1056.7153 0.0000 0.0000 2738.2970 6217.8471 302.4525 3479.5502 6250.6585 299.1760 PRESSURE: 1415200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1415200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1415200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1415200 0 0 0 0 0 0 0 0 0 TIMING: 1415200 CPU: 5658.81, 0.0039553/step Wall: 5658.81, 0.0039553/step, 1.19187 hours remaining, 114.367188 MB of memory in use. ENERGY: 1415200 685.3468 1874.8018 1985.0048 114.6185 0.7038 -1108.9100 0.0000 0.0000 2680.6427 6232.2084 296.0845 3551.5657 6265.6361 298.6386 PRESSURE: 1415400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1415400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1415400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1415400 0 0 0 0 0 0 0 0 0 TIMING: 1415400 CPU: 5659.6, 0.0039561/step Wall: 5659.6, 0.0039561/step, 1.19188 hours remaining, 114.367188 MB of memory in use. ENERGY: 1415400 642.5645 1845.6315 1963.5208 109.2274 1.7986 -1088.1309 0.0000 0.0000 2743.6429 6218.2549 303.0430 3474.6119 6250.1726 300.5302 PRESSURE: 1415600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1415600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1415600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1415600 0 0 0 0 0 0 0 0 0 TIMING: 1415600 CPU: 5660.39, 0.00395426/step Wall: 5660.39, 0.00395426/step, 1.19111 hours remaining, 114.367188 MB of memory in use. ENERGY: 1415600 640.9364 1864.1310 1985.1752 115.2669 2.5303 -1076.6889 0.0000 0.0000 2758.0173 6289.3682 304.6307 3531.3509 6322.4390 302.0235 PRESSURE: 1415800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1415800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1415800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1415800 0 0 0 0 0 0 0 0 0 TIMING: 1415800 CPU: 5661.18, 0.00395236/step Wall: 5661.18, 0.00395236/step, 1.19032 hours remaining, 114.367188 MB of memory in use. ENERGY: 1415800 659.4528 1828.8404 1996.6019 114.7849 2.4549 -1064.7853 0.0000 0.0000 2726.7149 6264.0645 301.1733 3537.3496 6296.1401 301.8600 PRESSURE: 1416000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1416000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1416000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1416000 0 0 0 0 0 0 0 0 0 TIMING: 1416000 CPU: 5661.97, 0.00395182/step Wall: 5661.97, 0.00395182/step, 1.18994 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1416000 674.9975 1873.5951 2014.1822 104.5924 0.7034 -1111.7972 0.0000 0.0000 2720.3812 6276.6546 300.4737 3556.2734 6310.1810 301.9722 PRESSURE: 1416200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1416200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1416200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1416200 0 0 0 0 0 0 0 0 0 TIMING: 1416200 CPU: 5662.76, 0.00394629/step Wall: 5662.76, 0.00394629/step, 1.18805 hours remaining, 114.367188 MB of memory in use. ENERGY: 1416200 617.9534 1863.0227 2002.8083 110.1862 0.9694 -1078.0462 0.0000 0.0000 2694.5503 6211.4442 297.6206 3516.8939 6247.9840 300.1137 LDB: ============= START OF LOAD BALANCING ============== 5665.72 LDB: ============== END OF LOAD BALANCING =============== 5665.72 LDB: =============== DONE WITH MIGRATION ================ 5665.72 LDB: ============= START OF LOAD BALANCING ============== 5666.11 LDB: ============== END OF LOAD BALANCING =============== 5666.11 LDB: =============== DONE WITH MIGRATION ================ 5666.11 PRESSURE: 1416400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1416400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1416400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1416400 0 0 0 0 0 0 0 0 0 TIMING: 1416400 CPU: 5663.55, 0.00395627/step Wall: 5663.55, 0.00395627/step, 1.19084 hours remaining, 114.367188 MB of memory in use. ENERGY: 1416400 662.1027 1830.6161 1972.0667 102.6708 0.9654 -1079.3404 0.0000 0.0000 2720.0663 6209.1475 300.4389 3489.0812 6241.3478 297.6745 PRESSURE: 1416600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1416600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1416600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1416600 0 0 0 0 0 0 0 0 0 TIMING: 1416600 CPU: 5664.34, 0.00395139/step Wall: 5664.34, 0.00395139/step, 1.18915 hours remaining, 114.367188 MB of memory in use. ENERGY: 1416600 647.8170 1834.3912 1982.7971 105.5099 0.9054 -1107.7348 0.0000 0.0000 2674.4664 6138.1523 295.4023 3463.6859 6171.3958 297.6127 PRESSURE: 1416800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1416800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1416800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1416800 0 0 0 0 0 0 0 0 0 TIMING: 1416800 CPU: 5665.13, 0.00395192/step Wall: 5665.13, 0.00395192/step, 1.18909 hours remaining, 114.367188 MB of memory in use. ENERGY: 1416800 638.3676 1868.4492 1980.0721 107.3865 0.7860 -1104.2284 0.0000 0.0000 2679.8893 6170.7223 296.0012 3490.8330 6202.6236 297.2618 PRESSURE: 1417000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1417000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1417000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1417000 0 0 0 0 0 0 0 0 0 TIMING: 1417000 CPU: 5665.92, 0.00395109/step Wall: 5665.92, 0.00395109/step, 1.18862 hours remaining, 114.367188 MB of memory in use. ENERGY: 1417000 636.7292 1838.1113 1988.1919 106.8041 2.0818 -1103.6030 0.0000 0.0000 2676.5481 6144.8634 295.6322 3468.3153 6178.8486 296.3494 PRESSURE: 1417200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1417200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1417200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1417200 0 0 0 0 0 0 0 0 0 TIMING: 1417200 CPU: 5666.71, 0.00394725/step Wall: 5666.71, 0.00394725/step, 1.18725 hours remaining, 114.367188 MB of memory in use. ENERGY: 1417200 621.2506 1881.3160 1947.4703 114.7841 1.9654 -1087.5026 0.0000 0.0000 2641.5687 6120.8523 291.7686 3479.2836 6155.4370 295.7629 PRESSURE: 1417400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1417400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1417400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1417400 0 0 0 0 0 0 0 0 0 TIMING: 1417400 CPU: 5667.5, 0.00395221/step Wall: 5667.5, 0.00395221/step, 1.18852 hours remaining, 114.367188 MB of memory in use. ENERGY: 1417400 655.9577 1827.1063 1957.1063 106.7108 1.3403 -1065.2990 0.0000 0.0000 2682.2975 6165.2200 296.2672 3482.9225 6196.6970 294.4985 PRESSURE: 1417600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1417600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1417600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1417600 0 0 0 0 0 0 0 0 0 TIMING: 1417600 CPU: 5668.29, 0.00395195/step Wall: 5668.29, 0.00395195/step, 1.18822 hours remaining, 114.367188 MB of memory in use. ENERGY: 1417600 626.9478 1839.4319 1961.9731 110.1837 1.1498 -1059.6045 0.0000 0.0000 2717.2263 6197.3080 300.1252 3480.0817 6229.5229 299.0926 PRESSURE: 1417800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1417800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1417800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1417800 0 0 0 0 0 0 0 0 0 TIMING: 1417800 CPU: 5669.08, 0.00395172/step Wall: 5669.08, 0.00395172/step, 1.18793 hours remaining, 114.367188 MB of memory in use. ENERGY: 1417800 682.7499 1837.9274 1965.4357 106.8126 1.4085 -1112.1772 0.0000 0.0000 2668.5515 6150.7083 294.7489 3482.1568 6181.9044 298.8796 PRESSURE: 1418000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1418000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1418000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1418000 0 0 0 0 0 0 0 0 0 TIMING: 1418000 CPU: 5669.87, 0.00395097/step Wall: 5669.87, 0.00395097/step, 1.18749 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1418000 642.5333 1847.5562 1942.5907 113.9270 1.3645 -1103.5057 0.0000 0.0000 2699.6750 6144.1409 298.1866 3444.4659 6174.8795 296.4245 PRESSURE: 1418200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1418200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1418200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1418200 0 0 0 0 0 0 0 0 0 TIMING: 1418200 CPU: 5670.66, 0.0039473/step Wall: 5670.66, 0.0039473/step, 1.18616 hours remaining, 114.367188 MB of memory in use. ENERGY: 1418200 682.1343 1841.8596 1985.9334 114.2757 0.5741 -1126.7229 0.0000 0.0000 2675.8593 6173.9135 295.5561 3498.0542 6206.7420 298.8549 PRESSURE: 1418400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1418400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1418400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1418400 0 0 0 0 0 0 0 0 0 TIMING: 1418400 CPU: 5671.45, 0.00395384/step Wall: 5671.45, 0.00395384/step, 1.18791 hours remaining, 114.367188 MB of memory in use. ENERGY: 1418400 666.5499 1856.8199 1982.2829 103.3011 1.1165 -1101.0685 0.0000 0.0000 2692.0035 6201.0052 297.3393 3509.0017 6234.0623 298.9421 PRESSURE: 1418600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1418600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1418600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1418600 0 0 0 0 0 0 0 0 0 TIMING: 1418600 CPU: 5672.24, 0.00395382/step Wall: 5672.24, 0.00395382/step, 1.18768 hours remaining, 114.367188 MB of memory in use. ENERGY: 1418600 625.3760 1781.4712 1969.3137 123.4321 1.9594 -1059.1066 0.0000 0.0000 2754.1507 6196.5966 304.2036 3442.4460 6231.0776 298.5374 PRESSURE: 1418800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1418800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1418800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1418800 0 0 0 0 0 0 0 0 0 TIMING: 1418800 CPU: 5673.03, 0.00395239/step Wall: 5673.03, 0.00395239/step, 1.18703 hours remaining, 114.367188 MB of memory in use. ENERGY: 1418800 636.8544 1831.3268 1985.3167 114.4733 0.1456 -1099.1665 0.0000 0.0000 2695.8163 6164.7666 297.7604 3468.9503 6197.0328 297.7843 PRESSURE: 1419000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1419000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1419000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1419000 0 0 0 0 0 0 0 0 0 TIMING: 1419000 CPU: 5673.82, 0.00394613/step Wall: 5673.82, 0.00394613/step, 1.18494 hours remaining, 114.367188 MB of memory in use. ENERGY: 1419000 633.4751 1864.8108 1968.5195 100.9575 0.5794 -1144.0013 0.0000 0.0000 2737.8144 6162.1553 302.3992 3424.3410 6198.1656 297.7375 PRESSURE: 1419200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1419200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1419200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1419200 0 0 0 0 0 0 0 0 0 TIMING: 1419200 CPU: 5674.61, 0.00395229/step Wall: 5674.61, 0.00395229/step, 1.18656 hours remaining, 114.367188 MB of memory in use. ENERGY: 1419200 618.9790 1816.5348 1989.6745 115.1173 0.6114 -1085.6336 0.0000 0.0000 2770.4076 6225.6909 305.9992 3455.2834 6259.1164 299.7175 PRESSURE: 1419400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1419400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1419400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1419400 0 0 0 0 0 0 0 0 0 TIMING: 1419400 CPU: 5675.4, 0.00395434/step Wall: 5675.4, 0.00395434/step, 1.18696 hours remaining, 114.367188 MB of memory in use. ENERGY: 1419400 622.5025 1852.5884 1993.1471 128.2277 0.9083 -1087.6825 0.0000 0.0000 2751.8584 6261.5498 303.9504 3509.6915 6295.1552 302.0550 PRESSURE: 1419600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1419600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1419600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1419600 0 0 0 0 0 0 0 0 0 TIMING: 1419600 CPU: 5676.19, 0.00395272/step Wall: 5676.19, 0.00395272/step, 1.18626 hours remaining, 114.367188 MB of memory in use. ENERGY: 1419600 648.8677 1821.2901 1993.8619 111.3688 0.9157 -1095.4300 0.0000 0.0000 2796.0792 6276.9534 308.8347 3480.8743 6312.3407 302.6181 PRESSURE: 1419800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1419800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1419800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1419800 0 0 0 0 0 0 0 0 0 TIMING: 1419800 CPU: 5676.99, 0.00395268/step Wall: 5676.99, 0.00395268/step, 1.18602 hours remaining, 114.367188 MB of memory in use. ENERGY: 1419800 638.0248 1865.1600 2002.1530 109.3376 1.1606 -1115.8806 0.0000 0.0000 2729.9263 6229.8817 301.5280 3499.9554 6262.9597 303.2520 PRESSURE: 1420000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1420000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1420000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1420000 0 0 0 0 0 0 0 0 0 TIMING: 1420000 CPU: 5677.78, 0.0039492/step Wall: 5677.78, 0.0039492/step, 1.18476 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1420000 649.5175 1900.2015 2009.6238 109.3221 0.2605 -1098.2841 0.0000 0.0000 2691.7556 6262.3970 297.3119 3570.6414 6294.5739 302.9947 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1420000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1420000 WRITING COORDINATES TO RESTART FILE AT STEP 1420000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1420000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1420200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1420200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1420200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1420200 0 0 0 0 0 0 0 0 0 TIMING: 1420200 CPU: 5678.62, 0.00422246/step Wall: 5678.62, 0.00422246/step, 1.2665 hours remaining, 114.367188 MB of memory in use. ENERGY: 1420200 665.6608 1819.0839 1999.9939 98.4548 1.4594 -1069.0367 0.0000 0.0000 2708.1023 6223.7183 299.1174 3515.6160 6256.8819 302.1607 LDB: ============= START OF LOAD BALANCING ============== 5681.58 LDB: ============== END OF LOAD BALANCING =============== 5681.58 LDB: =============== DONE WITH MIGRATION ================ 5681.58 LDB: ============= START OF LOAD BALANCING ============== 5681.98 LDB: ============== END OF LOAD BALANCING =============== 5681.98 LDB: =============== DONE WITH MIGRATION ================ 5681.98 PRESSURE: 1420400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1420400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1420400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1420400 0 0 0 0 0 0 0 0 0 TIMING: 1420400 CPU: 5679.41, 0.00395735/step Wall: 5679.41, 0.00395735/step, 1.18677 hours remaining, 114.367188 MB of memory in use. ENERGY: 1420400 645.5908 1845.8143 1985.0477 111.2445 2.6231 -1095.7210 0.0000 0.0000 2688.9483 6183.5476 297.0018 3494.5993 6214.6446 298.2209 PRESSURE: 1420600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1420600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1420600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1420600 0 0 0 0 0 0 0 0 0 TIMING: 1420600 CPU: 5680.2, 0.00395216/step Wall: 5680.2, 0.00395216/step, 1.18499 hours remaining, 114.367188 MB of memory in use. ENERGY: 1420600 644.7100 1799.0279 1958.7000 101.0381 1.8948 -1098.1170 0.0000 0.0000 2710.1422 6117.3958 299.3427 3407.2537 6148.5773 297.0370 PRESSURE: 1420800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1420800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1420800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1420800 0 0 0 0 0 0 0 0 0 TIMING: 1420800 CPU: 5680.99, 0.00395123/step Wall: 5680.99, 0.00395123/step, 1.18449 hours remaining, 114.367188 MB of memory in use. ENERGY: 1420800 659.1530 1849.9426 1981.2338 110.5858 3.6187 -1088.9346 0.0000 0.0000 2646.7238 6162.3230 292.3380 3515.5992 6193.9666 296.0415 PRESSURE: 1421000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1421000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1421000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1421000 0 0 0 0 0 0 0 0 0 TIMING: 1421000 CPU: 5681.78, 0.00394629/step Wall: 5681.78, 0.00394629/step, 1.18279 hours remaining, 114.367188 MB of memory in use. ENERGY: 1421000 657.3084 1861.3943 1980.8166 119.3283 1.9031 -1086.3010 0.0000 0.0000 2645.3046 6179.7544 292.1813 3534.4497 6209.5578 296.3933 PRESSURE: 1421200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1421200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1421200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1421200 0 0 0 0 0 0 0 0 0 TIMING: 1421200 CPU: 5682.57, 0.00395166/step Wall: 5682.57, 0.00395166/step, 1.18418 hours remaining, 114.367188 MB of memory in use. ENERGY: 1421200 665.0191 1784.7069 1958.4258 111.8018 1.3721 -1119.1721 0.0000 0.0000 2763.4809 6165.6344 305.2342 3402.1535 6200.9526 299.1125 PRESSURE: 1421400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1421400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1421400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1421400 0 0 0 0 0 0 0 0 0 TIMING: 1421400 CPU: 5683.36, 0.00395249/step Wall: 5683.36, 0.00395249/step, 1.18421 hours remaining, 114.367188 MB of memory in use. ENERGY: 1421400 655.3570 1823.5120 1966.6495 108.9545 0.7202 -1099.5725 0.0000 0.0000 2677.3491 6132.9698 295.7207 3455.6207 6167.8431 297.8397 PRESSURE: 1421600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1421600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1421600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1421600 0 0 0 0 0 0 0 0 0 TIMING: 1421600 CPU: 5684.16, 0.00396795/step Wall: 5684.16, 0.00396795/step, 1.18862 hours remaining, 114.367188 MB of memory in use. ENERGY: 1421600 657.5491 1864.8159 1948.6921 105.2559 0.9117 -1074.1648 0.0000 0.0000 2678.3172 6181.3771 295.8276 3503.0599 6210.9707 297.9487 PRESSURE: 1421800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1421800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1421800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1421800 0 0 0 0 0 0 0 0 0 TIMING: 1421800 CPU: 5684.95, 0.00395553/step Wall: 5684.95, 0.00395553/step, 1.18468 hours remaining, 114.367188 MB of memory in use. ENERGY: 1421800 662.6224 1867.8891 1987.0992 105.0226 1.4209 -1060.5012 0.0000 0.0000 2633.0453 6196.5983 290.8272 3563.5531 6226.9498 298.4783 PRESSURE: 1422000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1422000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1422000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1422000 0 0 0 0 0 0 0 0 0 TIMING: 1422000 CPU: 5685.74, 0.00394871/step Wall: 5685.74, 0.00394871/step, 1.18242 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1422000 635.3424 1840.5209 1975.6436 112.8832 1.1932 -1089.6211 0.0000 0.0000 2748.1388 6224.1010 303.5396 3475.9622 6259.8257 299.8039 PRESSURE: 1422200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1422200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1422200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1422200 0 0 0 0 0 0 0 0 0 TIMING: 1422200 CPU: 5686.53, 0.00395054/step Wall: 5686.53, 0.00395054/step, 1.18275 hours remaining, 114.367188 MB of memory in use. ENERGY: 1422200 678.6386 1850.0871 1970.2639 101.6320 0.2300 -1100.9830 0.0000 0.0000 2739.1897 6239.0584 302.5511 3499.8687 6272.8294 299.2673 PRESSURE: 1422400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1422400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1422400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1422400 0 0 0 0 0 0 0 0 0 TIMING: 1422400 CPU: 5687.32, 0.00395259/step Wall: 5687.32, 0.00395259/step, 1.18314 hours remaining, 114.367188 MB of memory in use. ENERGY: 1422400 665.0540 1887.8653 1960.0730 108.4481 1.9734 -1089.3810 0.0000 0.0000 2717.8669 6251.8995 300.1960 3534.0327 6285.0321 302.5091 PRESSURE: 1422600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1422600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1422600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1422600 0 0 0 0 0 0 0 0 0 TIMING: 1422600 CPU: 5688.11, 0.0039523/step Wall: 5688.11, 0.0039523/step, 1.18284 hours remaining, 114.367188 MB of memory in use. ENERGY: 1422600 667.8119 1859.9703 1998.8271 111.5508 2.6639 -1061.8484 0.0000 0.0000 2727.0343 6306.0100 301.2085 3578.9757 6339.6218 303.7324 PRESSURE: 1422800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1422800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1422800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1422800 0 0 0 0 0 0 0 0 0 TIMING: 1422800 CPU: 5688.9, 0.00395126/step Wall: 5688.9, 0.00395127/step, 1.18231 hours remaining, 114.367188 MB of memory in use. ENERGY: 1422800 668.7656 1842.9657 1972.1285 104.9596 1.4485 -1060.7296 0.0000 0.0000 2745.7478 6275.2862 303.2755 3529.5384 6311.7836 303.8683 PRESSURE: 1423000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1423000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1423000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1423000 0 0 0 0 0 0 0 0 0 TIMING: 1423000 CPU: 5689.69, 0.00394694/step Wall: 5689.69, 0.00394694/step, 1.18079 hours remaining, 114.367188 MB of memory in use. ENERGY: 1423000 665.4289 1878.2781 1975.9457 108.4451 1.2563 -1063.3376 0.0000 0.0000 2740.9151 6306.9315 302.7417 3566.0164 6341.8868 304.0695 PRESSURE: 1423200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1423200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1423200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1423200 0 0 0 0 0 0 0 0 0 TIMING: 1423200 CPU: 5690.48, 0.00395267/step Wall: 5690.48, 0.00395267/step, 1.18229 hours remaining, 114.367188 MB of memory in use. ENERGY: 1423200 627.4487 1821.5701 1973.2803 115.2067 0.9271 -1044.2132 0.0000 0.0000 2812.8810 6307.1007 310.6905 3494.2197 6346.0811 305.0958 PRESSURE: 1423400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1423400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1423400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1423400 0 0 0 0 0 0 0 0 0 TIMING: 1423400 CPU: 5691.27, 0.00395295/step Wall: 5691.27, 0.00395295/step, 1.18215 hours remaining, 114.367188 MB of memory in use. ENERGY: 1423400 659.9248 1901.9250 2009.7727 102.8175 0.7260 -1077.4679 0.0000 0.0000 2724.9889 6322.6870 300.9826 3597.6980 6356.8584 304.3221 PRESSURE: 1423600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1423600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1423600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1423600 0 0 0 0 0 0 0 0 0 TIMING: 1423600 CPU: 5692.06, 0.0039513/step Wall: 5692.06, 0.0039513/step, 1.18144 hours remaining, 114.367188 MB of memory in use. ENERGY: 1423600 656.4177 1850.1145 1966.8841 113.3221 -0.3376 -1040.7129 0.0000 0.0000 2766.7088 6312.3968 305.5907 3545.6880 6348.3033 304.9188 PRESSURE: 1423800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1423800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1423800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1423800 0 0 0 0 0 0 0 0 0 TIMING: 1423800 CPU: 5692.85, 0.0039473/step Wall: 5692.85, 0.0039473/step, 1.18002 hours remaining, 114.367188 MB of memory in use. ENERGY: 1423800 658.7659 1839.0651 1973.8344 113.8308 -0.2925 -1037.9578 0.0000 0.0000 2796.0532 6343.2991 308.8319 3547.2459 6375.9834 305.8612 PRESSURE: 1424000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1424000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1424000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1424000 0 0 0 0 0 0 0 0 0 TIMING: 1424000 CPU: 5693.64, 0.00395146/step Wall: 5693.64, 0.00395146/step, 1.18105 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1424000 646.5952 1850.0175 1982.8195 101.7864 -0.6866 -1070.4087 0.0000 0.0000 2765.5812 6275.7046 305.4661 3510.1234 6311.1063 303.2655 PRESSURE: 1424200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1424200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1424200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1424200 0 0 0 0 0 0 0 0 0 TIMING: 1424200 CPU: 5694.43, 0.00395028/step Wall: 5694.43, 0.00395028/step, 1.18048 hours remaining, 114.367188 MB of memory in use. ENERGY: 1424200 675.3673 1850.5387 1978.2862 107.7568 1.2477 -1115.7816 0.0000 0.0000 2732.0985 6229.5136 301.7679 3497.4151 6262.9763 302.7002 LDB: ============= START OF LOAD BALANCING ============== 5697.39 LDB: ============== END OF LOAD BALANCING =============== 5697.39 LDB: =============== DONE WITH MIGRATION ================ 5697.39 LDB: ============= START OF LOAD BALANCING ============== 5697.78 LDB: ============== END OF LOAD BALANCING =============== 5697.78 LDB: =============== DONE WITH MIGRATION ================ 5697.78 PRESSURE: 1424400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1424400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1424400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1424400 0 0 0 0 0 0 0 0 0 TIMING: 1424400 CPU: 5695.22, 0.00395545/step Wall: 5695.22, 0.00395545/step, 1.1818 hours remaining, 114.367188 MB of memory in use. ENERGY: 1424400 626.9681 1851.2310 2004.7562 94.4594 0.4427 -1092.9547 0.0000 0.0000 2722.2563 6207.1589 300.6808 3484.9026 6241.1150 300.0948 PRESSURE: 1424600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1424600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1424600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1424600 0 0 0 0 0 0 0 0 0 TIMING: 1424600 CPU: 5696.01, 0.00395037/step Wall: 5696.01, 0.00395037/step, 1.18006 hours remaining, 114.367188 MB of memory in use. ENERGY: 1424600 679.7315 1851.4363 1974.9562 100.9292 0.1000 -1082.5981 0.0000 0.0000 2696.6237 6221.1789 297.8496 3524.5551 6256.8675 298.2620 PRESSURE: 1424800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1424800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1424800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1424800 0 0 0 0 0 0 0 0 0 TIMING: 1424800 CPU: 5696.8, 0.003949/step Wall: 5696.8, 0.00394899/step, 1.17943 hours remaining, 114.367188 MB of memory in use. ENERGY: 1424800 660.9719 1854.7914 1987.3774 110.6101 0.7595 -1087.9218 0.0000 0.0000 2727.6632 6254.2518 301.2780 3526.5885 6284.2177 301.1478 PRESSURE: 1425000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1425000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1425000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1425000 0 0 0 0 0 0 0 0 0 TIMING: 1425000 CPU: 5697.59, 0.00395188/step Wall: 5697.59, 0.00395189/step, 1.18008 hours remaining, 114.367188 MB of memory in use. ENERGY: 1425000 628.6982 1830.2507 1986.0302 118.5736 0.3595 -1102.9940 0.0000 0.0000 2767.1644 6228.0825 305.6410 3460.9181 6262.8391 302.1747 PRESSURE: 1425200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1425200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1425200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1425200 0 0 0 0 0 0 0 0 0 TIMING: 1425200 CPU: 5698.38, 0.00395113/step Wall: 5698.38, 0.00395113/step, 1.17963 hours remaining, 114.367188 MB of memory in use. ENERGY: 1425200 696.0564 1805.6488 1956.6717 105.8032 -1.3585 -1103.4855 0.0000 0.0000 2778.8111 6238.1471 306.9274 3459.3360 6274.5085 301.6358 PRESSURE: 1425400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1425400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1425400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1425400 0 0 0 0 0 0 0 0 0 TIMING: 1425400 CPU: 5699.17, 0.00396518/step Wall: 5699.17, 0.00396518/step, 1.1836 hours remaining, 114.367188 MB of memory in use. ENERGY: 1425400 660.2221 1823.9619 1985.6345 111.8450 0.7224 -1011.6002 0.0000 0.0000 2690.9857 6261.7713 297.2269 3570.7856 6295.1706 301.6663 PRESSURE: 1425600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1425600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1425600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1425600 0 0 0 0 0 0 0 0 0 TIMING: 1425600 CPU: 5699.96, 0.00395107/step Wall: 5699.96, 0.00395107/step, 1.17917 hours remaining, 114.367188 MB of memory in use. ENERGY: 1425600 620.9008 1849.4331 2016.3585 105.9452 0.2013 -1062.2445 0.0000 0.0000 2756.4387 6287.0330 304.4563 3530.5943 6319.1147 301.8789 PRESSURE: 1425800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1425800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1425800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1425800 0 0 0 0 0 0 0 0 0 TIMING: 1425800 CPU: 5700.75, 0.00394884/step Wall: 5700.75, 0.00394884/step, 1.17829 hours remaining, 114.367188 MB of memory in use. ENERGY: 1425800 664.2374 1837.0872 1976.8404 104.5212 -0.0110 -1076.7649 0.0000 0.0000 2746.5286 6252.4389 303.3617 3505.9103 6285.7739 302.1105 PRESSURE: 1426000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1426000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1426000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1426000 0 0 0 0 0 0 0 0 0 TIMING: 1426000 CPU: 5701.54, 0.00395211/step Wall: 5701.54, 0.00395211/step, 1.17905 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1426000 675.1737 1848.6757 1984.6100 103.1496 0.6776 -1075.1236 0.0000 0.0000 2706.1509 6243.3139 298.9019 3537.1630 6273.2262 301.4799 PRESSURE: 1426200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1426200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1426200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1426200 0 0 0 0 0 0 0 0 0 TIMING: 1426200 CPU: 5702.33, 0.00395126/step Wall: 5702.33, 0.00395126/step, 1.17857 hours remaining, 114.367188 MB of memory in use. ENERGY: 1426200 640.2815 1805.3149 1988.4570 117.6779 0.9705 -1077.2914 0.0000 0.0000 2695.5497 6170.9601 297.7310 3475.4104 6204.7468 299.7892 PRESSURE: 1426400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1426400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1426400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1426400 0 0 0 0 0 0 0 0 0 TIMING: 1426400 CPU: 5703.12, 0.00395069/step Wall: 5703.12, 0.00395068/step, 1.17818 hours remaining, 114.367188 MB of memory in use. ENERGY: 1426400 619.8843 1855.5951 1953.7494 106.3661 1.4766 -1055.1075 0.0000 0.0000 2642.3778 6124.3418 291.8580 3481.9640 6157.6429 294.8607 PRESSURE: 1426600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1426600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1426600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1426600 0 0 0 0 0 0 0 0 0 TIMING: 1426600 CPU: 5703.91, 0.00395115/step Wall: 5703.91, 0.00395116/step, 1.1781 hours remaining, 114.367188 MB of memory in use. ENERGY: 1426600 628.5134 1808.2824 1982.8058 106.9540 0.8122 -1058.4766 0.0000 0.0000 2673.8623 6142.7536 295.3355 3468.8912 6175.8808 295.8702 PRESSURE: 1426800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1426800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1426800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1426800 0 0 0 0 0 0 0 0 0 TIMING: 1426800 CPU: 5704.7, 0.00394837/step Wall: 5704.7, 0.00394837/step, 1.17705 hours remaining, 114.367188 MB of memory in use. ENERGY: 1426800 668.9957 1818.3886 1970.1598 98.4289 0.9001 -1085.2399 0.0000 0.0000 2674.0094 6145.6426 295.3518 3471.6331 6178.5590 296.6955 PRESSURE: 1427000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1427000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1427000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1427000 0 0 0 0 0 0 0 0 0 TIMING: 1427000 CPU: 5705.49, 0.00395144/step Wall: 5705.49, 0.00395144/step, 1.17775 hours remaining, 114.367188 MB of memory in use. ENERGY: 1427000 609.5161 1835.2202 1979.8613 112.4495 0.0750 -1088.9230 0.0000 0.0000 2720.7630 6168.9621 300.5159 3448.1990 6200.5466 298.8336 PRESSURE: 1427200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1427200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1427200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1427200 0 0 0 0 0 0 0 0 0 TIMING: 1427200 CPU: 5706.28, 0.00395031/step Wall: 5706.28, 0.00395031/step, 1.17719 hours remaining, 114.367188 MB of memory in use. ENERGY: 1427200 639.9689 1820.0671 2032.0516 111.4622 0.7621 -1104.3892 0.0000 0.0000 2682.7386 6182.6612 296.3160 3499.9226 6216.8883 298.5904 PRESSURE: 1427400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1427400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1427400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1427400 0 0 0 0 0 0 0 0 0 TIMING: 1427400 CPU: 5707.07, 0.00395129/step Wall: 5707.07, 0.00395129/step, 1.17726 hours remaining, 114.367188 MB of memory in use. ENERGY: 1427400 650.7077 1812.0471 1987.8249 104.0730 -0.5352 -1095.4873 0.0000 0.0000 2738.9249 6197.5551 302.5219 3458.6302 6233.1906 299.4184 PRESSURE: 1427600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1427600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1427600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1427600 0 0 0 0 0 0 0 0 0 TIMING: 1427600 CPU: 5707.86, 0.00394715/step Wall: 5707.86, 0.00394715/step, 1.17581 hours remaining, 114.367188 MB of memory in use. ENERGY: 1427600 646.2511 1807.7120 1990.6635 109.6141 0.2567 -1092.5354 0.0000 0.0000 2786.0172 6247.9793 307.7234 3461.9621 6282.9355 300.9066 PRESSURE: 1427800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1427800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1427800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1427800 0 0 0 0 0 0 0 0 0 TIMING: 1427800 CPU: 5708.65, 0.00395141/step Wall: 5708.65, 0.00395141/step, 1.17686 hours remaining, 114.367188 MB of memory in use. ENERGY: 1427800 646.0745 1841.3840 1966.9541 108.0539 0.7023 -1055.5086 0.0000 0.0000 2722.4230 6230.0831 300.6992 3507.6601 6264.8527 301.9189 PRESSURE: 1428000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1428000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1428000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1428000 0 0 0 0 0 0 0 0 0 TIMING: 1428000 CPU: 5709.44, 0.00395174/step Wall: 5709.44, 0.00395174/step, 1.17674 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1428000 657.5255 1832.1368 1978.4216 105.9448 -0.6873 -1093.2777 0.0000 0.0000 2728.2265 6208.2901 301.3402 3480.0636 6241.4245 300.0822 PRESSURE: 1428200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1428200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1428200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1428200 0 0 0 0 0 0 0 0 0 TIMING: 1428200 CPU: 5710.23, 0.00395051/step Wall: 5710.23, 0.00395051/step, 1.17615 hours remaining, 114.367188 MB of memory in use. ENERGY: 1428200 658.5580 1794.8463 2012.8153 102.3994 0.5388 -1118.3945 0.0000 0.0000 2743.9291 6194.6924 303.0746 3450.7633 6228.2094 299.5951 LDB: ============= START OF LOAD BALANCING ============== 5713.19 LDB: ============== END OF LOAD BALANCING =============== 5713.19 LDB: =============== DONE WITH MIGRATION ================ 5713.19 LDB: ============= START OF LOAD BALANCING ============== 5713.59 LDB: ============== END OF LOAD BALANCING =============== 5713.59 LDB: =============== DONE WITH MIGRATION ================ 5713.59 PRESSURE: 1428400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1428400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1428400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1428400 0 0 0 0 0 0 0 0 0 TIMING: 1428400 CPU: 5711.03, 0.00395658/step Wall: 5711.03, 0.00395658/step, 1.17774 hours remaining, 114.367188 MB of memory in use. ENERGY: 1428400 634.3690 1826.5505 1962.1201 107.8827 0.4569 -1071.2126 0.0000 0.0000 2686.8554 6147.0220 296.7707 3460.1666 6181.4798 298.4685 PRESSURE: 1428600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1428600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1428600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1428600 0 0 0 0 0 0 0 0 0 TIMING: 1428600 CPU: 5711.82, 0.00394805/step Wall: 5711.82, 0.00394805/step, 1.17498 hours remaining, 114.367188 MB of memory in use. ENERGY: 1428600 638.4919 1814.3408 1977.0692 105.4160 2.3879 -1090.0139 0.0000 0.0000 2710.5050 6158.1970 299.3828 3447.6920 6191.2440 297.0893 PRESSURE: 1428800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1428800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1428800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1428800 0 0 0 0 0 0 0 0 0 TIMING: 1428800 CPU: 5712.61, 0.00395213/step Wall: 5712.61, 0.00395213/step, 1.17598 hours remaining, 114.367188 MB of memory in use. ENERGY: 1428800 652.2695 1793.1587 1979.0796 109.0532 2.5231 -1074.0336 0.0000 0.0000 2687.3993 6149.4497 296.8307 3462.0504 6184.0279 296.6900 PRESSURE: 1429000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1429000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1429000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1429000 0 0 0 0 0 0 0 0 0 TIMING: 1429000 CPU: 5713.4, 0.00394897/step Wall: 5713.4, 0.00394896/step, 1.17482 hours remaining, 114.367188 MB of memory in use. ENERGY: 1429000 680.1600 1814.3184 1955.1700 114.3773 1.3140 -1123.0905 0.0000 0.0000 2635.8052 6078.0545 291.1320 3442.2493 6111.4611 294.9726 PRESSURE: 1429200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1429200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1429200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1429200 0 0 0 0 0 0 0 0 0 TIMING: 1429200 CPU: 5714.19, 0.00395012/step Wall: 5714.19, 0.00395012/step, 1.17494 hours remaining, 114.367188 MB of memory in use. ENERGY: 1429200 626.1421 1772.4526 1983.6350 105.6776 2.2515 -1064.0897 0.0000 0.0000 2649.7317 6075.8008 292.6703 3426.0691 6107.5800 292.0077 PRESSURE: 1429400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1429400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1429400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1429400 0 0 0 0 0 0 0 0 0 TIMING: 1429400 CPU: 5714.98, 0.00394959/step Wall: 5714.98, 0.00394959/step, 1.17456 hours remaining, 114.367188 MB of memory in use. ENERGY: 1429400 631.6304 1770.8806 1988.5942 107.5931 3.2009 -1086.3383 0.0000 0.0000 2707.2351 6122.7959 299.0217 3415.5608 6158.2710 293.8110 PRESSURE: 1429600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1429600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1429600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1429600 0 0 0 0 0 0 0 0 0 TIMING: 1429600 CPU: 5715.76, 0.00394745/step Wall: 5715.76, 0.00394745/step, 1.17371 hours remaining, 114.367188 MB of memory in use. ENERGY: 1429600 647.8485 1823.1909 1956.4377 98.5788 2.1394 -1066.8710 0.0000 0.0000 2669.5984 6130.9226 294.8646 3461.3242 6162.5781 295.1127 PRESSURE: 1429800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1429800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1429800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1429800 0 0 0 0 0 0 0 0 0 TIMING: 1429800 CPU: 5716.55, 0.00394933/step Wall: 5716.55, 0.00394933/step, 1.17405 hours remaining, 114.367188 MB of memory in use. ENERGY: 1429800 632.4081 1812.5609 1970.3574 120.4881 1.9615 -1056.5054 0.0000 0.0000 2691.3637 6172.6345 297.2686 3481.2708 6205.5396 295.2880 PRESSURE: 1430000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1430000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1430000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1430000 0 0 0 0 0 0 0 0 0 TIMING: 1430000 CPU: 5717.34, 0.00394955/step Wall: 5717.34, 0.00394955/step, 1.17389 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1430000 648.5813 1752.9640 2010.6924 120.6674 -0.1890 -1062.5950 0.0000 0.0000 2710.7027 6180.8238 299.4047 3470.1211 6213.2861 297.5932 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1430000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1430000 WRITING COORDINATES TO RESTART FILE AT STEP 1430000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1430000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1430200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1430200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1430200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1430200 0 0 0 0 0 0 0 0 0 TIMING: 1430200 CPU: 5718.89, 0.00770782/step Wall: 5718.89, 0.00770782/step, 2.29051 hours remaining, 114.367188 MB of memory in use. ENERGY: 1430200 640.0182 1820.8973 1985.6489 115.8537 1.6205 -1111.1402 0.0000 0.0000 2724.0494 6176.9478 300.8788 3452.8984 6209.6900 299.2194 PRESSURE: 1430400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1430400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1430400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1430400 0 0 0 0 0 0 0 0 0 TIMING: 1430400 CPU: 5719.68, 0.00394929/step Wall: 5719.68, 0.00394929/step, 1.17338 hours remaining, 114.367188 MB of memory in use. ENERGY: 1430400 637.1171 1741.8496 1985.0365 110.2073 0.9090 -1086.1642 0.0000 0.0000 2763.9406 6152.8959 305.2849 3388.9552 6187.9591 297.2819 PRESSURE: 1430600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1430600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1430600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1430600 0 0 0 0 0 0 0 0 0 TIMING: 1430600 CPU: 5720.47, 0.00394912/step Wall: 5720.47, 0.00394912/step, 1.17311 hours remaining, 114.367188 MB of memory in use. ENERGY: 1430600 614.9004 1843.9732 1970.1663 106.0134 1.4313 -1081.9154 0.0000 0.0000 2744.4032 6198.9724 303.1270 3454.5692 6230.6315 300.0885 PRESSURE: 1430800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1430800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1430800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1430800 0 0 0 0 0 0 0 0 0 TIMING: 1430800 CPU: 5721.26, 0.00394852/step Wall: 5721.26, 0.00394852/step, 1.17271 hours remaining, 114.367188 MB of memory in use. ENERGY: 1430800 684.6722 1835.7526 1987.0528 107.3391 1.0264 -1094.2585 0.0000 0.0000 2697.4633 6219.0479 297.9423 3521.5846 6251.3406 299.3223 PRESSURE: 1431000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1431000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1431000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1431000 0 0 0 0 0 0 0 0 0 TIMING: 1431000 CPU: 5722.05, 0.00394954/step Wall: 5722.05, 0.00394954/step, 1.17279 hours remaining, 114.367188 MB of memory in use. ENERGY: 1431000 669.8767 1845.4762 1972.2669 101.6133 0.7785 -1112.2772 0.0000 0.0000 2716.2882 6194.0226 300.0216 3477.7344 6228.0145 299.3456 PRESSURE: 1431200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1431200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1431200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1431200 0 0 0 0 0 0 0 0 0 TIMING: 1431200 CPU: 5722.83, 0.00394478/step Wall: 5722.83, 0.00394478/step, 1.17116 hours remaining, 114.367188 MB of memory in use. ENERGY: 1431200 674.3676 1835.1773 1975.8608 109.0983 1.7368 -1118.4343 0.0000 0.0000 2729.5145 6207.3211 301.4825 3477.8066 6240.0944 301.6633 PRESSURE: 1431400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1431400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1431400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1431400 0 0 0 0 0 0 0 0 0 TIMING: 1431400 CPU: 5723.62, 0.00394901/step Wall: 5723.62, 0.00394902/step, 1.1722 hours remaining, 114.367188 MB of memory in use. ENERGY: 1431400 662.9798 1823.5947 1969.2279 98.0251 1.1329 -1081.2199 0.0000 0.0000 2673.4976 6147.2380 295.2953 3473.7405 6180.6907 300.1115 PRESSURE: 1431600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1431600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1431600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1431600 0 0 0 0 0 0 0 0 0 TIMING: 1431600 CPU: 5724.41, 0.00394828/step Wall: 5724.41, 0.00394827/step, 1.17176 hours remaining, 114.367188 MB of memory in use. ENERGY: 1431600 643.0244 1881.1881 1941.9166 109.1415 -0.4208 -1120.2859 0.0000 0.0000 2684.9654 6139.5293 296.5619 3454.5639 6172.3410 296.3141 PRESSURE: 1431800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1431800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1431800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1431800 0 0 0 0 0 0 0 0 0 TIMING: 1431800 CPU: 5725.2, 0.00394858/step Wall: 5725.2, 0.00394859/step, 1.17163 hours remaining, 114.367188 MB of memory in use. ENERGY: 1431800 646.2513 1842.4181 1947.0710 104.2929 0.7062 -1080.4834 0.0000 0.0000 2647.6159 6107.8719 292.4366 3460.2560 6138.3941 295.7300 PRESSURE: 1432000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1432000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1432000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1432000 0 0 0 0 0 0 0 0 0 TIMING: 1432000 CPU: 5725.99, 0.00394763/step Wall: 5725.99, 0.00394763/step, 1.17113 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1432000 651.4106 1804.0348 1933.8785 96.3058 0.2967 -1096.9457 0.0000 0.0000 2703.6927 6092.6734 298.6304 3388.9807 6129.3412 293.8501 PRESSURE: 1432200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1432200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1432200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1432200 0 0 0 0 0 0 0 0 0 TIMING: 1432200 CPU: 5726.78, 0.00394669/step Wall: 5726.78, 0.00394669/step, 1.17063 hours remaining, 114.367188 MB of memory in use. ENERGY: 1432200 647.1251 1820.9038 1975.8782 95.5865 2.3782 -1108.2005 0.0000 0.0000 2643.6896 6077.3609 292.0029 3433.6713 6107.1036 293.5430 LDB: ============= START OF LOAD BALANCING ============== 5729.74 LDB: ============== END OF LOAD BALANCING =============== 5729.74 LDB: =============== DONE WITH MIGRATION ================ 5729.74 LDB: ============= START OF LOAD BALANCING ============== 5730.14 LDB: ============== END OF LOAD BALANCING =============== 5730.14 LDB: =============== DONE WITH MIGRATION ================ 5730.14 PRESSURE: 1432400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1432400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1432400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1432400 0 0 0 0 0 0 0 0 0 TIMING: 1432400 CPU: 5727.57, 0.00395572/step Wall: 5727.57, 0.00395572/step, 1.17309 hours remaining, 114.367188 MB of memory in use. ENERGY: 1432400 671.4287 1767.0361 1990.6827 99.8822 -0.2652 -1097.9011 0.0000 0.0000 2651.0864 6081.9498 292.8199 3430.8634 6112.9259 293.5323 PRESSURE: 1432600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1432600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1432600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1432600 0 0 0 0 0 0 0 0 0 TIMING: 1432600 CPU: 5728.36, 0.00394981/step Wall: 5728.36, 0.00394981/step, 1.17112 hours remaining, 114.367188 MB of memory in use. ENERGY: 1432600 605.0305 1809.0890 1945.4810 112.7498 0.2365 -1058.0307 0.0000 0.0000 2673.6201 6088.1762 295.3088 3414.5561 6121.2737 294.0941 PRESSURE: 1432800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1432800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1432800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1432800 0 0 0 0 0 0 0 0 0 TIMING: 1432800 CPU: 5729.15, 0.00395005/step Wall: 5729.15, 0.00395005/step, 1.17097 hours remaining, 114.367188 MB of memory in use. ENERGY: 1432800 647.5508 1817.9613 1958.3957 106.5940 0.6545 -1107.2541 0.0000 0.0000 2680.4188 6104.3210 296.0597 3423.9022 6136.8392 294.3274 PRESSURE: 1433000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1433000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1433000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1433000 0 0 0 0 0 0 0 0 0 TIMING: 1433000 CPU: 5729.94, 0.00394732/step Wall: 5729.94, 0.00394732/step, 1.16994 hours remaining, 114.367188 MB of memory in use. ENERGY: 1433000 648.8052 1785.1714 1971.4837 119.7573 0.8322 -1128.3159 0.0000 0.0000 2712.1530 6109.8869 299.5649 3397.7339 6144.7235 296.5094 PRESSURE: 1433200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1433200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1433200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1433200 0 0 0 0 0 0 0 0 0 TIMING: 1433200 CPU: 5730.73, 0.00394812/step Wall: 5730.73, 0.00394812/step, 1.16996 hours remaining, 114.367188 MB of memory in use. ENERGY: 1433200 654.0291 1806.6359 1988.1389 108.3289 0.3908 -1132.6894 0.0000 0.0000 2737.0657 6161.8999 302.3165 3424.8342 6194.8734 296.2613 PRESSURE: 1433400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1433400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1433400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1433400 0 0 0 0 0 0 0 0 0 TIMING: 1433400 CPU: 5731.52, 0.00395271/step Wall: 5731.52, 0.00395271/step, 1.1711 hours remaining, 114.367188 MB of memory in use. ENERGY: 1433400 614.2986 1855.8755 1986.4607 121.1524 1.1326 -1098.9571 0.0000 0.0000 2671.4938 6151.4564 295.0739 3479.9627 6182.4451 298.9628 PRESSURE: 1433600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1433600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1433600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1433600 0 0 0 0 0 0 0 0 0 TIMING: 1433600 CPU: 5732.31, 0.00395053/step Wall: 5732.31, 0.00395053/step, 1.17023 hours remaining, 114.367188 MB of memory in use. ENERGY: 1433600 665.8442 1828.8223 2016.0116 109.7333 0.1849 -1117.1613 0.0000 0.0000 2616.5944 6120.0294 289.0101 3503.4350 6149.7264 295.6980 PRESSURE: 1433800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1433800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1433800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1433800 0 0 0 0 0 0 0 0 0 TIMING: 1433800 CPU: 5733.1, 0.00395173/step Wall: 5733.1, 0.00395173/step, 1.17037 hours remaining, 114.367188 MB of memory in use. ENERGY: 1433800 660.8076 1822.9144 1939.3949 100.0689 -0.3795 -1106.0629 0.0000 0.0000 2704.3714 6121.1147 298.7054 3416.7434 6155.5041 295.6180 PRESSURE: 1434000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1434000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1434000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1434000 0 0 0 0 0 0 0 0 0 TIMING: 1434000 CPU: 5733.89, 0.00394704/step Wall: 5733.89, 0.00394704/step, 1.16876 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1434000 691.8060 1823.1905 1983.3266 115.8207 0.6076 -1125.1355 0.0000 0.0000 2676.1563 6165.7722 295.5889 3489.6159 6202.1173 297.2101 PRESSURE: 1434200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1434200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1434200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1434200 0 0 0 0 0 0 0 0 0 TIMING: 1434200 CPU: 5734.68, 0.0039506/step Wall: 5734.68, 0.0039506/step, 1.1696 hours remaining, 114.367188 MB of memory in use. ENERGY: 1434200 639.0460 1846.3438 1959.7352 105.3109 0.0122 -1070.2758 0.0000 0.0000 2723.5603 6203.7327 300.8248 3480.1724 6236.2381 298.7804 PRESSURE: 1434400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1434400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1434400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1434400 0 0 0 0 0 0 0 0 0 TIMING: 1434400 CPU: 5735.47, 0.0039534/step Wall: 5735.47, 0.0039534/step, 1.17021 hours remaining, 114.367188 MB of memory in use. ENERGY: 1434400 657.8315 1864.9523 1958.0403 100.8593 2.3129 -1060.7296 0.0000 0.0000 2686.9900 6210.2567 296.7855 3523.2666 6242.1739 300.5002 PRESSURE: 1434600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1434600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1434600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1434600 0 0 0 0 0 0 0 0 0 TIMING: 1434600 CPU: 5736.26, 0.00394994/step Wall: 5736.26, 0.00394994/step, 1.16896 hours remaining, 114.367188 MB of memory in use. ENERGY: 1434600 687.0954 1862.1410 1969.8551 109.0379 1.1141 -1101.1534 0.0000 0.0000 2692.5781 6220.6683 297.4028 3528.0902 6251.2158 300.3331 PRESSURE: 1434800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1434800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1434800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1434800 0 0 0 0 0 0 0 0 0 TIMING: 1434800 CPU: 5737.05, 0.00395182/step Wall: 5737.05, 0.00395182/step, 1.1693 hours remaining, 114.367188 MB of memory in use. ENERGY: 1434800 672.6699 1878.9087 1989.2022 107.2030 0.7906 -1063.3653 0.0000 0.0000 2663.8336 6249.2428 294.2278 3585.4091 6277.9394 301.4704 PRESSURE: 1435000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1435000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1435000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1435000 0 0 0 0 0 0 0 0 0 TIMING: 1435000 CPU: 5737.84, 0.00394746/step Wall: 5737.84, 0.00394746/step, 1.16779 hours remaining, 114.367188 MB of memory in use. ENERGY: 1435000 679.4009 1859.4570 1968.6316 107.3957 -0.3916 -1090.4464 0.0000 0.0000 2705.5008 6229.5479 298.8301 3524.0471 6261.1254 300.7598 PRESSURE: 1435200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1435200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1435200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1435200 0 0 0 0 0 0 0 0 0 TIMING: 1435200 CPU: 5738.63, 0.00395105/step Wall: 5738.63, 0.00395105/step, 1.16863 hours remaining, 114.367188 MB of memory in use. ENERGY: 1435200 638.1424 1836.2054 1974.5657 110.4182 0.9584 -1058.0975 0.0000 0.0000 2736.2827 6238.4754 302.2301 3502.1927 6270.3209 301.4284 PRESSURE: 1435400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1435400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1435400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1435400 0 0 0 0 0 0 0 0 0 TIMING: 1435400 CPU: 5739.43, 0.0039658/step Wall: 5739.43, 0.0039658/step, 1.17278 hours remaining, 114.367188 MB of memory in use. ENERGY: 1435400 653.8757 1842.1365 2017.5428 100.7537 0.7352 -1025.7311 0.0000 0.0000 2641.7317 6231.0445 291.7866 3589.3128 6263.8403 300.4866 PRESSURE: 1435600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1435600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1435600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1435600 0 0 0 0 0 0 0 0 0 TIMING: 1435600 CPU: 5740.22, 0.0039522/step Wall: 5740.22, 0.0039522/step, 1.16853 hours remaining, 114.367188 MB of memory in use. ENERGY: 1435600 626.8705 1823.1027 1980.9160 93.6754 1.8163 -1046.8181 0.0000 0.0000 2724.0978 6203.6606 300.8842 3479.5628 6238.3162 298.1348 PRESSURE: 1435800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1435800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1435800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1435800 0 0 0 0 0 0 0 0 0 TIMING: 1435800 CPU: 5741.01, 0.00395471/step Wall: 5741.01, 0.00395471/step, 1.16906 hours remaining, 114.367188 MB of memory in use. ENERGY: 1435800 618.0702 1878.7986 1967.9756 101.1132 0.8557 -1064.4636 0.0000 0.0000 2659.1781 6161.5277 293.7136 3502.3496 6194.3424 297.5435 PRESSURE: 1436000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1436000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1436000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1436000 0 0 0 0 0 0 0 0 0 TIMING: 1436000 CPU: 5741.8, 0.00394797/step Wall: 5741.8, 0.00394797/step, 1.16685 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1436000 654.2551 1824.0945 1949.1386 105.5874 0.8499 -1049.6149 0.0000 0.0000 2641.7212 6126.0319 291.7855 3484.3107 6156.3451 296.2161 PRESSURE: 1436200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1436200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1436200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1436200 0 0 0 0 0 0 0 0 0 TIMING: 1436200 CPU: 5742.59, 0.00395181/step Wall: 5742.59, 0.00395181/step, 1.16776 hours remaining, 114.367188 MB of memory in use. ENERGY: 1436200 645.0925 1835.6975 1965.1885 109.7525 1.8505 -1089.8861 0.0000 0.0000 2697.2391 6164.9345 297.9176 3467.6954 6195.3066 295.6834 LDB: ============= START OF LOAD BALANCING ============== 5745.55 LDB: ============== END OF LOAD BALANCING =============== 5745.55 LDB: =============== DONE WITH MIGRATION ================ 5745.55 LDB: ============= START OF LOAD BALANCING ============== 5745.94 LDB: ============== END OF LOAD BALANCING =============== 5745.94 LDB: =============== DONE WITH MIGRATION ================ 5745.94 PRESSURE: 1436400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1436400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1436400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1436400 0 0 0 0 0 0 0 0 0 TIMING: 1436400 CPU: 5743.38, 0.00395738/step Wall: 5743.38, 0.00395738/step, 1.16919 hours remaining, 114.367188 MB of memory in use. ENERGY: 1436400 672.3889 1832.7885 1970.3711 102.7020 0.1118 -1118.7968 0.0000 0.0000 2700.8846 6160.4501 298.3202 3459.5655 6193.3761 297.2098 PRESSURE: 1436600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1436600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1436600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1436600 0 0 0 0 0 0 0 0 0 TIMING: 1436600 CPU: 5744.17, 0.0039649/step Wall: 5744.17, 0.0039649/step, 1.17119 hours remaining, 114.367188 MB of memory in use. ENERGY: 1436600 644.2399 1821.2034 1987.9370 105.2804 1.6410 -1069.1961 0.0000 0.0000 2688.8894 6179.9951 296.9953 3491.1057 6211.9171 297.7514 PRESSURE: 1436800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1436800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1436800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1436800 0 0 0 0 0 0 0 0 0 TIMING: 1436800 CPU: 5744.96, 0.00394953/step Wall: 5744.96, 0.00394953/step, 1.16643 hours remaining, 114.367188 MB of memory in use. ENERGY: 1436800 655.6929 1816.5450 1975.1485 106.6336 1.1406 -1074.1472 0.0000 0.0000 2686.4841 6167.4974 296.7297 3481.0132 6201.0371 297.8500 PRESSURE: 1437000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1437000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1437000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1437000 0 0 0 0 0 0 0 0 0 TIMING: 1437000 CPU: 5745.75, 0.00395432/step Wall: 5745.75, 0.00395432/step, 1.16762 hours remaining, 114.367188 MB of memory in use. ENERGY: 1437000 643.0200 1818.5181 2006.9638 115.2849 1.6892 -1108.8460 0.0000 0.0000 2699.2937 6175.9236 298.1445 3476.6299 6209.6354 298.4377 PRESSURE: 1437200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1437200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1437200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1437200 0 0 0 0 0 0 0 0 0 TIMING: 1437200 CPU: 5746.54, 0.00395176/step Wall: 5746.54, 0.00395176/step, 1.16665 hours remaining, 114.367188 MB of memory in use. ENERGY: 1437200 648.5615 1796.9341 1987.5691 114.3883 1.0152 -1088.8263 0.0000 0.0000 2767.1082 6226.7500 305.6348 3459.6418 6260.0170 300.3110 PRESSURE: 1437400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1437400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1437400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1437400 0 0 0 0 0 0 0 0 0 TIMING: 1437400 CPU: 5747.33, 0.00395046/step Wall: 5747.33, 0.00395046/step, 1.16605 hours remaining, 114.367188 MB of memory in use. ENERGY: 1437400 669.1365 1889.5829 1974.7053 104.5578 -0.2780 -1136.4191 0.0000 0.0000 2714.4811 6215.7665 299.8220 3501.2854 6248.0516 300.9500 PRESSURE: 1437600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1437600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1437600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1437600 0 0 0 0 0 0 0 0 0 TIMING: 1437600 CPU: 5748.12, 0.00395059/step Wall: 5748.12, 0.00395059/step, 1.16586 hours remaining, 114.367188 MB of memory in use. ENERGY: 1437600 662.9649 1788.9869 1999.8898 101.6658 1.3911 -1093.2559 0.0000 0.0000 2782.7550 6244.3975 307.3630 3461.6424 6278.6268 300.4229 PRESSURE: 1437800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1437800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1437800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1437800 0 0 0 0 0 0 0 0 0 TIMING: 1437800 CPU: 5748.91, 0.00394611/step Wall: 5748.91, 0.00394611/step, 1.16432 hours remaining, 114.367188 MB of memory in use. ENERGY: 1437800 659.4700 1802.7081 1990.5330 113.3472 0.4964 -1080.7927 0.0000 0.0000 2744.8127 6230.5748 303.1722 3485.7621 6264.1824 301.3419 PRESSURE: 1438000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1438000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1438000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1438000 0 0 0 0 0 0 0 0 0 TIMING: 1438000 CPU: 5749.7, 0.0039509/step Wall: 5749.7, 0.0039509/step, 1.16552 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1438000 674.0710 1836.5442 2012.0520 110.7064 1.0772 -1070.6437 0.0000 0.0000 2718.8236 6282.6307 300.3016 3563.8071 6317.7561 300.7704 PRESSURE: 1438200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1438200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1438200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1438200 0 0 0 0 0 0 0 0 0 TIMING: 1438200 CPU: 5750.49, 0.00395025/step Wall: 5750.49, 0.00395025/step, 1.1651 hours remaining, 114.367188 MB of memory in use. ENERGY: 1438200 615.8472 1823.0266 1985.3893 99.9148 0.6238 -1081.0579 0.0000 0.0000 2727.6310 6171.3748 301.2744 3443.7438 6205.1495 301.0943 PRESSURE: 1438400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1438400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1438400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1438400 0 0 0 0 0 0 0 0 0 TIMING: 1438400 CPU: 5751.28, 0.00395233/step Wall: 5751.28, 0.00395233/step, 1.1655 hours remaining, 114.367188 MB of memory in use. ENERGY: 1438400 621.6853 1810.7146 1981.5041 101.6273 0.4068 -1069.0781 0.0000 0.0000 2765.5339 6212.3938 305.4609 3446.8599 6248.1019 300.9347 PRESSURE: 1438600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1438600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1438600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1438600 0 0 0 0 0 0 0 0 0 TIMING: 1438600 CPU: 5752.07, 0.00395085/step Wall: 5752.07, 0.00395085/step, 1.16484 hours remaining, 114.367188 MB of memory in use. ENERGY: 1438600 634.5845 1828.4329 1985.0212 111.6575 1.2853 -1081.1114 0.0000 0.0000 2639.8987 6119.7685 291.5842 3479.8698 6148.8756 297.3931 PRESSURE: 1438800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1438800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1438800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1438800 0 0 0 0 0 0 0 0 0 TIMING: 1438800 CPU: 5752.86, 0.00394603/step Wall: 5752.86, 0.00394603/step, 1.1632 hours remaining, 114.367188 MB of memory in use. ENERGY: 1438800 643.5800 1788.1037 2011.0511 99.8937 1.0491 -1099.0864 0.0000 0.0000 2657.0965 6101.6877 293.4837 3444.5912 6133.9626 295.8702 PRESSURE: 1439000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1439000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1439000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1439000 0 0 0 0 0 0 0 0 0 TIMING: 1439000 CPU: 5753.65, 0.00395402/step Wall: 5753.65, 0.00395402/step, 1.16534 hours remaining, 114.367188 MB of memory in use. ENERGY: 1439000 633.6791 1777.3238 1996.5728 131.9872 1.1108 -1073.9291 0.0000 0.0000 2681.1879 6147.9325 296.1447 3466.7446 6182.8054 294.3358 PRESSURE: 1439200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1439200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1439200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1439200 0 0 0 0 0 0 0 0 0 TIMING: 1439200 CPU: 5754.44, 0.00395298/step Wall: 5754.44, 0.00395298/step, 1.16481 hours remaining, 114.367188 MB of memory in use. ENERGY: 1439200 679.7377 1779.6670 1981.6681 116.7163 -0.1191 -1083.7789 0.0000 0.0000 2722.4131 6196.3042 300.6981 3473.8911 6227.5018 295.6583 PRESSURE: 1439400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1439400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1439400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1439400 0 0 0 0 0 0 0 0 0 TIMING: 1439400 CPU: 5755.24, 0.00395222/step Wall: 5755.24, 0.00395222/step, 1.16437 hours remaining, 114.367188 MB of memory in use. ENERGY: 1439400 634.3985 1839.2804 1970.5672 94.3426 -0.7106 -1090.6776 0.0000 0.0000 2718.6306 6165.8311 300.2803 3447.2005 6201.8357 297.3370 PRESSURE: 1439600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1439600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1439600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1439600 0 0 0 0 0 0 0 0 0 TIMING: 1439600 CPU: 5756.03, 0.00395073/step Wall: 5756.03, 0.00395073/step, 1.16371 hours remaining, 114.367188 MB of memory in use. ENERGY: 1439600 636.7707 1838.8211 1987.1860 99.1178 0.4759 -1074.7789 0.0000 0.0000 2674.0689 6161.6616 295.3584 3487.5926 6193.2866 297.2896 PRESSURE: 1439800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1439800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1439800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1439800 0 0 0 0 0 0 0 0 0 TIMING: 1439800 CPU: 5756.82, 0.00394763/step Wall: 5756.82, 0.00394763/step, 1.16258 hours remaining, 114.367188 MB of memory in use. ENERGY: 1439800 654.2159 1846.8262 1979.6617 92.8462 0.9326 -1116.5975 0.0000 0.0000 2711.5513 6169.4363 299.4984 3457.8851 6203.2539 297.9254 PRESSURE: 1440000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1440000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1440000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1440000 0 0 0 0 0 0 0 0 0 TIMING: 1440000 CPU: 5757.61, 0.00395435/step Wall: 5757.61, 0.00395435/step, 1.16434 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1440000 640.0431 1847.7057 2005.6869 116.6102 1.4051 -1096.4245 0.0000 0.0000 2636.9723 6151.9989 291.2609 3515.0266 6182.8021 299.3964 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1440000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1440000 WRITING COORDINATES TO RESTART FILE AT STEP 1440000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1440000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1440200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1440200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1440200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1440200 0 0 0 0 0 0 0 0 0 TIMING: 1440200 CPU: 5758.43, 0.00412457/step Wall: 5758.43, 0.00412457/step, 1.21423 hours remaining, 114.367188 MB of memory in use. ENERGY: 1440200 669.9923 1808.1301 2006.3188 115.4118 1.2423 -1074.1451 0.0000 0.0000 2685.5963 6212.5466 296.6316 3526.9502 6243.8301 299.4462 LDB: ============= START OF LOAD BALANCING ============== 5761.39 LDB: ============== END OF LOAD BALANCING =============== 5761.39 LDB: =============== DONE WITH MIGRATION ================ 5761.39 LDB: ============= START OF LOAD BALANCING ============== 5761.79 LDB: ============== END OF LOAD BALANCING =============== 5761.79 LDB: =============== DONE WITH MIGRATION ================ 5761.79 PRESSURE: 1440400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1440400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1440400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1440400 0 0 0 0 0 0 0 0 0 TIMING: 1440400 CPU: 5759.22, 0.00395792/step Wall: 5759.22, 0.00395792/step, 1.16495 hours remaining, 114.367188 MB of memory in use. ENERGY: 1440400 654.4102 1800.0566 2013.9132 123.4255 0.8325 -1072.1575 0.0000 0.0000 2739.9374 6260.4179 302.6337 3520.4805 6293.6644 299.5071 PRESSURE: 1440600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1440600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1440600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1440600 0 0 0 0 0 0 0 0 0 TIMING: 1440600 CPU: 5760.01, 0.00395087/step Wall: 5760.01, 0.00395087/step, 1.16265 hours remaining, 114.367188 MB of memory in use. ENERGY: 1440600 693.4563 1865.8141 2009.3652 113.8393 1.1915 -1092.3162 0.0000 0.0000 2684.7081 6276.0584 296.5335 3591.3503 6306.9951 300.9099 PRESSURE: 1440800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1440800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1440800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1440800 0 0 0 0 0 0 0 0 0 TIMING: 1440800 CPU: 5760.8, 0.00394787/step Wall: 5760.8, 0.00394787/step, 1.16155 hours remaining, 114.367188 MB of memory in use. ENERGY: 1440800 634.4549 1846.4984 1992.7247 113.4463 0.7125 -1047.1698 0.0000 0.0000 2761.9405 6302.6076 305.0640 3540.6671 6335.5683 302.8051 PRESSURE: 1441000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1441000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1441000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1441000 0 0 0 0 0 0 0 0 0 TIMING: 1441000 CPU: 5761.59, 0.00395627/step Wall: 5761.59, 0.00395627/step, 1.1638 hours remaining, 114.367188 MB of memory in use. ENERGY: 1441000 656.3965 1860.7824 1972.3034 100.6883 0.7892 -1048.7834 0.0000 0.0000 2706.6272 6248.8037 298.9545 3542.1765 6279.3476 302.8389 PRESSURE: 1441200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1441200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1441200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1441200 0 0 0 0 0 0 0 0 0 TIMING: 1441200 CPU: 5762.38, 0.00395482/step Wall: 5762.38, 0.00395482/step, 1.16316 hours remaining, 114.367188 MB of memory in use. ENERGY: 1441200 668.4819 1856.8111 1994.5276 115.5103 1.5509 -1076.3235 0.0000 0.0000 2698.0886 6258.6469 298.0114 3560.5583 6291.5498 300.6549 PRESSURE: 1441400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1441400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1441400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1441400 0 0 0 0 0 0 0 0 0 TIMING: 1441400 CPU: 5763.18, 0.00395669/step Wall: 5763.18, 0.00395669/step, 1.16349 hours remaining, 114.367188 MB of memory in use. ENERGY: 1441400 645.2089 1879.2825 1975.4225 99.7489 1.0756 -1056.9418 0.0000 0.0000 2730.7331 6274.5297 301.6171 3543.7966 6304.1125 303.1959 PRESSURE: 1441600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1441600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1441600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1441600 0 0 0 0 0 0 0 0 0 TIMING: 1441600 CPU: 5763.97, 0.00394687/step Wall: 5763.97, 0.00394687/step, 1.16038 hours remaining, 114.367188 MB of memory in use. ENERGY: 1441600 595.5229 1835.5493 1984.7080 106.2458 2.1026 -1082.7832 0.0000 0.0000 2731.6225 6172.9679 301.7153 3441.3454 6206.8099 301.1684 PRESSURE: 1441800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1441800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1441800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1441800 0 0 0 0 0 0 0 0 0 TIMING: 1441800 CPU: 5764.76, 0.00395305/step Wall: 5764.76, 0.00395305/step, 1.16198 hours remaining, 114.367188 MB of memory in use. ENERGY: 1441800 618.1159 1847.9755 1989.4228 99.7024 0.9181 -1072.5443 0.0000 0.0000 2743.5682 6227.1586 303.0348 3483.5904 6262.8409 299.9985 PRESSURE: 1442000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1442000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1442000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1442000 0 0 0 0 0 0 0 0 0 TIMING: 1442000 CPU: 5765.55, 0.00395286/step Wall: 5765.55, 0.00395286/step, 1.1617 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1442000 693.0906 1855.6578 1982.6268 95.7843 0.7066 -1077.0466 0.0000 0.0000 2702.7587 6253.5781 298.5272 3550.8194 6286.0750 301.1906 PRESSURE: 1442200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1442200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1442200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1442200 0 0 0 0 0 0 0 0 0 TIMING: 1442200 CPU: 5766.34, 0.00395146/step Wall: 5766.34, 0.00395146/step, 1.16107 hours remaining, 114.367188 MB of memory in use. ENERGY: 1442200 660.2847 1837.3669 1983.8567 97.5452 0.0856 -1108.8095 0.0000 0.0000 2762.7973 6233.1270 305.1587 3470.3296 6268.2574 298.2550 PRESSURE: 1442400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1442400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1442400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1442400 0 0 0 0 0 0 0 0 0 TIMING: 1442400 CPU: 5767.13, 0.00395626/step Wall: 5767.13, 0.00395626/step, 1.16226 hours remaining, 114.367188 MB of memory in use. ENERGY: 1442400 680.8136 1841.9451 1969.2057 103.9113 1.0789 -1065.5338 0.0000 0.0000 2665.1329 6196.5538 294.3714 3531.4209 6230.6245 298.4715 PRESSURE: 1442600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1442600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1442600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1442600 0 0 0 0 0 0 0 0 0 TIMING: 1442600 CPU: 5767.92, 0.00394683/step Wall: 5767.92, 0.00394683/step, 1.15927 hours remaining, 114.367188 MB of memory in use. ENERGY: 1442600 644.1209 1871.1753 1970.9393 107.4842 -0.2424 -1121.7575 0.0000 0.0000 2652.8787 6124.5985 293.0178 3471.7198 6153.5018 295.7722 PRESSURE: 1442800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1442800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1442800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1442800 0 0 0 0 0 0 0 0 0 TIMING: 1442800 CPU: 5768.71, 0.003951/step Wall: 5768.71, 0.003951/step, 1.16028 hours remaining, 114.367188 MB of memory in use. ENERGY: 1442800 611.6665 1861.9695 1981.6798 108.3275 0.3832 -1090.6492 0.0000 0.0000 2622.2325 6095.6098 289.6329 3473.3773 6127.0498 294.4214 PRESSURE: 1443000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1443000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1443000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1443000 0 0 0 0 0 0 0 0 0 TIMING: 1443000 CPU: 5769.5, 0.0039525/step Wall: 5769.5, 0.0039525/step, 1.1605 hours remaining, 114.367188 MB of memory in use. ENERGY: 1443000 631.1194 1834.5251 1986.5683 101.9332 0.1661 -1144.5187 0.0000 0.0000 2678.8528 6088.6461 295.8867 3409.7934 6121.4185 294.8552 PRESSURE: 1443200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1443200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1443200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1443200 0 0 0 0 0 0 0 0 0 TIMING: 1443200 CPU: 5770.29, 0.00395037/step Wall: 5770.29, 0.00395036/step, 1.15965 hours remaining, 114.367188 MB of memory in use. ENERGY: 1443200 632.3716 1865.9636 1974.4300 115.0020 0.7924 -1156.0338 0.0000 0.0000 2690.9247 6123.4505 297.2201 3432.5257 6154.2121 292.8170 PRESSURE: 1443400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1443400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1443400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1443400 0 0 0 0 0 0 0 0 0 TIMING: 1443400 CPU: 5771.08, 0.00395323/step Wall: 5771.08, 0.00395324/step, 1.16027 hours remaining, 114.367188 MB of memory in use. ENERGY: 1443400 622.7370 1892.1390 1950.1718 104.1919 -0.3747 -1083.8140 0.0000 0.0000 2710.2487 6195.2997 299.3545 3485.0510 6230.8213 297.2130 PRESSURE: 1443600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1443600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1443600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1443600 0 0 0 0 0 0 0 0 0 TIMING: 1443600 CPU: 5771.87, 0.00394653/step Wall: 5771.87, 0.00394653/step, 1.15809 hours remaining, 114.367188 MB of memory in use. ENERGY: 1443600 677.4978 1817.7186 1966.6805 110.9586 0.5819 -1133.7387 0.0000 0.0000 2757.2246 6196.9233 304.5431 3439.6986 6232.9517 300.8423 PRESSURE: 1443800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1443800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1443800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1443800 0 0 0 0 0 0 0 0 0 TIMING: 1443800 CPU: 5772.66, 0.00395373/step Wall: 5772.66, 0.00395373/step, 1.15998 hours remaining, 114.367188 MB of memory in use. ENERGY: 1443800 667.7251 1919.1305 1939.5555 112.9076 0.1877 -1095.0414 0.0000 0.0000 2743.7418 6288.2069 303.0539 3544.4651 6321.4014 300.8893 PRESSURE: 1444000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1444000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1444000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1444000 0 0 0 0 0 0 0 0 0 TIMING: 1444000 CPU: 5773.45, 0.00395249/step Wall: 5773.45, 0.00395249/step, 1.1594 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1444000 641.5032 1803.9987 1978.8124 114.3780 -0.6415 -1106.3671 0.0000 0.0000 2799.2587 6230.9424 309.1859 3431.6837 6264.9499 302.9414 PRESSURE: 1444200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1444200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1444200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1444200 0 0 0 0 0 0 0 0 0 TIMING: 1444200 CPU: 5774.24, 0.00395161/step Wall: 5774.24, 0.00395161/step, 1.15892 hours remaining, 114.367188 MB of memory in use. ENERGY: 1444200 670.1448 1789.3383 1973.2347 109.0710 -0.2730 -1115.0594 0.0000 0.0000 2724.0462 6150.5026 300.8785 3426.4564 6183.3378 299.0462 LDB: ============= START OF LOAD BALANCING ============== 5777.2 LDB: ============== END OF LOAD BALANCING =============== 5777.2 LDB: =============== DONE WITH MIGRATION ================ 5777.2 LDB: ============= START OF LOAD BALANCING ============== 5777.59 LDB: ============== END OF LOAD BALANCING =============== 5777.59 LDB: =============== DONE WITH MIGRATION ================ 5777.59 PRESSURE: 1444400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1444400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1444400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1444400 0 0 0 0 0 0 0 0 0 TIMING: 1444400 CPU: 5775.03, 0.00395184/step Wall: 5775.03, 0.00395183/step, 1.15877 hours remaining, 114.367188 MB of memory in use. ENERGY: 1444400 662.8569 1842.9402 1982.4048 116.9671 0.4333 -1119.8359 0.0000 0.0000 2660.6672 6146.4336 293.8781 3485.7665 6179.2527 296.4274 PRESSURE: 1444600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1444600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1444600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1444600 0 0 0 0 0 0 0 0 0 TIMING: 1444600 CPU: 5775.82, 0.00395209/step Wall: 5775.82, 0.0039521/step, 1.15862 hours remaining, 114.367188 MB of memory in use. ENERGY: 1444600 616.8556 1802.8255 1993.1852 117.9070 1.3486 -1073.4601 0.0000 0.0000 2674.5651 6133.2270 295.4132 3458.6619 6163.7272 295.1736 PRESSURE: 1444800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1444800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1444800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1444800 0 0 0 0 0 0 0 0 0 TIMING: 1444800 CPU: 5776.61, 0.00395104/step Wall: 5776.61, 0.00395104/step, 1.15809 hours remaining, 114.367188 MB of memory in use. ENERGY: 1444800 643.4082 1822.8154 1979.9319 99.5276 1.9848 -1071.5984 0.0000 0.0000 2675.0323 6151.1019 295.4648 3476.0696 6181.1779 295.4819 PRESSURE: 1445000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1445000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1445000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1445000 0 0 0 0 0 0 0 0 0 TIMING: 1445000 CPU: 5777.4, 0.00395177/step Wall: 5777.4, 0.00395177/step, 1.15809 hours remaining, 114.367188 MB of memory in use. ENERGY: 1445000 660.4703 1839.5960 2000.5113 112.0534 2.1966 -1113.7887 0.0000 0.0000 2643.7034 6144.7423 292.0044 3501.0388 6177.1375 295.8262 PRESSURE: 1445200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1445200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1445200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1445200 0 0 0 0 0 0 0 0 0 TIMING: 1445200 CPU: 5778.19, 0.0039668/step Wall: 5778.19, 0.0039668/step, 1.16227 hours remaining, 114.367188 MB of memory in use. ENERGY: 1445200 628.4969 1786.7134 1987.1279 111.8840 2.5860 -1077.0629 0.0000 0.0000 2699.5351 6139.2803 298.1712 3439.7452 6172.6747 296.3309 PRESSURE: 1445400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1445400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1445400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1445400 0 0 0 0 0 0 0 0 0 TIMING: 1445400 CPU: 5778.98, 0.00394432/step Wall: 5778.98, 0.00394432/step, 1.15547 hours remaining, 114.367188 MB of memory in use. ENERGY: 1445400 656.6720 1856.8856 1984.4935 97.2916 2.4249 -1131.4368 0.0000 0.0000 2699.5156 6165.8465 298.1690 3466.3308 6202.6103 296.7260 PRESSURE: 1445600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1445600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1445600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1445600 0 0 0 0 0 0 0 0 0 TIMING: 1445600 CPU: 5779.77, 0.00395067/step Wall: 5779.77, 0.00395067/step, 1.15711 hours remaining, 114.367188 MB of memory in use. ENERGY: 1445600 654.4435 1875.0037 1959.9804 102.8825 0.5936 -1094.9727 0.0000 0.0000 2702.9841 6200.9152 298.5521 3497.9311 6235.8271 299.5138 PRESSURE: 1445800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1445800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1445800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1445800 0 0 0 0 0 0 0 0 0 TIMING: 1445800 CPU: 5780.56, 0.00394982/step Wall: 5780.56, 0.00394982/step, 1.15664 hours remaining, 114.367188 MB of memory in use. ENERGY: 1445800 672.8731 1845.3716 1970.3392 120.8928 1.0199 -1099.1527 0.0000 0.0000 2696.1064 6207.4504 297.7925 3511.3439 6239.4687 300.1130 PRESSURE: 1446000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1446000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1446000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1446000 0 0 0 0 0 0 0 0 0 TIMING: 1446000 CPU: 5781.35, 0.00394981/step Wall: 5781.35, 0.00394981/step, 1.15642 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1446000 643.9388 1848.1489 1995.0972 97.4137 0.8315 -1082.9462 0.0000 0.0000 2740.3268 6242.8109 302.6767 3502.4840 6275.5130 301.7270 PRESSURE: 1446200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1446200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1446200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1446200 0 0 0 0 0 0 0 0 0 TIMING: 1446200 CPU: 5782.14, 0.0039514/step Wall: 5782.14, 0.0039514/step, 1.15666 hours remaining, 114.367188 MB of memory in use. ENERGY: 1446200 658.7093 1821.3925 1991.5000 98.2587 0.1137 -1074.4635 0.0000 0.0000 2731.3757 6226.8864 301.6881 3495.5107 6258.8641 301.4889 PRESSURE: 1446400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1446400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1446400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1446400 0 0 0 0 0 0 0 0 0 TIMING: 1446400 CPU: 5782.93, 0.003945/step Wall: 5782.93, 0.003945/step, 1.15457 hours remaining, 114.367188 MB of memory in use. ENERGY: 1446400 646.0159 1839.4955 1984.8349 103.9375 1.8667 -1065.3882 0.0000 0.0000 2744.5390 6255.3014 303.1420 3510.7624 6291.4603 301.5667 PRESSURE: 1446600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1446600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1446600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1446600 0 0 0 0 0 0 0 0 0 TIMING: 1446600 CPU: 5783.72, 0.00394937/step Wall: 5783.72, 0.00394937/step, 1.15563 hours remaining, 114.367188 MB of memory in use. ENERGY: 1446600 702.9482 1837.2644 2001.9022 96.0598 1.9861 -1064.2754 0.0000 0.0000 2698.7978 6274.6832 298.0897 3575.8854 6307.0372 301.5755 PRESSURE: 1446800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1446800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1446800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1446800 0 0 0 0 0 0 0 0 0 TIMING: 1446800 CPU: 5784.51, 0.00394921/step Wall: 5784.51, 0.00394921/step, 1.15536 hours remaining, 114.367188 MB of memory in use. ENERGY: 1446800 683.9601 1858.1121 1965.2036 110.8664 2.6551 -1080.9918 0.0000 0.0000 2741.4528 6281.2583 302.8011 3539.8055 6314.7425 303.5677 PRESSURE: 1447000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1447000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1447000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1447000 0 0 0 0 0 0 0 0 0 TIMING: 1447000 CPU: 5785.3, 0.00394908/step Wall: 5785.3, 0.00394908/step, 1.15511 hours remaining, 114.367188 MB of memory in use. ENERGY: 1447000 664.5380 1820.5886 1997.7342 105.3293 1.9884 -1079.7928 0.0000 0.0000 2738.3973 6248.7831 302.4636 3510.3858 6282.4299 302.4529 PRESSURE: 1447200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1447200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1447200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1447200 0 0 0 0 0 0 0 0 0 TIMING: 1447200 CPU: 5786.09, 0.00394991/step Wall: 5786.09, 0.00394991/step, 1.15513 hours remaining, 114.367188 MB of memory in use. ENERGY: 1447200 667.4187 1818.6949 1973.3586 112.0281 2.3562 -1058.2030 0.0000 0.0000 2744.8060 6260.4594 303.1715 3515.6534 6294.4475 301.5601 PRESSURE: 1447400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1447400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1447400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1447400 0 0 0 0 0 0 0 0 0 TIMING: 1447400 CPU: 5786.88, 0.00394448/step Wall: 5786.88, 0.00394447/step, 1.15332 hours remaining, 114.367188 MB of memory in use. ENERGY: 1447400 695.3801 1812.8361 2011.7234 106.1895 1.8254 -1100.7377 0.0000 0.0000 2706.7340 6233.9508 298.9663 3527.2168 6265.3801 302.4004 PRESSURE: 1447600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1447600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1447600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1447600 0 0 0 0 0 0 0 0 0 TIMING: 1447600 CPU: 5787.67, 0.00394868/step Wall: 5787.67, 0.00394868/step, 1.15433 hours remaining, 114.367188 MB of memory in use. ENERGY: 1447600 662.8674 1865.0951 1988.0096 107.0133 1.7020 -1095.7799 0.0000 0.0000 2750.9500 6279.8576 303.8501 3528.9076 6314.2083 303.7881 PRESSURE: 1447800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1447800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1447800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1447800 0 0 0 0 0 0 0 0 0 TIMING: 1447800 CPU: 5788.46, 0.00394833/step Wall: 5788.46, 0.00394833/step, 1.15401 hours remaining, 114.367188 MB of memory in use. ENERGY: 1447800 675.2864 1847.1048 2011.1933 101.6672 2.8150 -1087.7151 0.0000 0.0000 2706.3258 6256.6775 298.9212 3550.3517 6291.7636 302.4783 PRESSURE: 1448000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1448000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1448000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1448000 0 0 0 0 0 0 0 0 0 TIMING: 1448000 CPU: 5789.25, 0.00395016/step Wall: 5789.25, 0.00395016/step, 1.15432 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1448000 649.7339 1818.2644 2011.0749 98.9723 1.7210 -1051.6704 0.0000 0.0000 2721.4823 6249.5784 300.5953 3528.0961 6281.4326 301.1780 PRESSURE: 1448200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1448200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1448200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1448200 0 0 0 0 0 0 0 0 0 TIMING: 1448200 CPU: 5790.04, 0.00394707/step Wall: 5790.04, 0.00394707/step, 1.1532 hours remaining, 114.367188 MB of memory in use. ENERGY: 1448200 649.6032 1875.4210 1959.3692 104.3032 2.0336 -1089.4369 0.0000 0.0000 2732.2329 6233.5262 301.7827 3501.2933 6267.1626 301.8501 LDB: ============= START OF LOAD BALANCING ============== 5793 LDB: ============== END OF LOAD BALANCING =============== 5793 LDB: =============== DONE WITH MIGRATION ================ 5793 LDB: ============= START OF LOAD BALANCING ============== 5793.39 LDB: ============== END OF LOAD BALANCING =============== 5793.39 LDB: =============== DONE WITH MIGRATION ================ 5793.4 PRESSURE: 1448400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1448400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1448400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1448400 0 0 0 0 0 0 0 0 0 TIMING: 1448400 CPU: 5790.83, 0.00395514/step Wall: 5790.83, 0.00395514/step, 1.15534 hours remaining, 114.367188 MB of memory in use. ENERGY: 1448400 645.2759 1867.3240 1969.8245 115.0361 2.3975 -1080.4998 0.0000 0.0000 2654.4842 6173.8426 293.1952 3519.3583 6207.0679 300.4739 PRESSURE: 1448600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1448600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1448600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1448600 0 0 0 0 0 0 0 0 0 TIMING: 1448600 CPU: 5791.62, 0.00395038/step Wall: 5791.62, 0.00395038/step, 1.15373 hours remaining, 114.367188 MB of memory in use. ENERGY: 1448600 661.0559 1836.4494 1992.9428 101.8623 2.9703 -1082.0847 0.0000 0.0000 2643.8187 6157.0147 292.0171 3513.1960 6185.8495 297.9388 PRESSURE: 1448800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1448800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1448800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1448800 0 0 0 0 0 0 0 0 0 TIMING: 1448800 CPU: 5792.41, 0.00395035/step Wall: 5792.41, 0.00395035/step, 1.1535 hours remaining, 114.367188 MB of memory in use. ENERGY: 1448800 659.2499 1827.0315 1988.2333 118.7320 1.2339 -1088.8063 0.0000 0.0000 2680.7279 6186.4023 296.0939 3505.6743 6217.4078 297.4896 PRESSURE: 1449000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1449000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1449000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1449000 0 0 0 0 0 0 0 0 0 TIMING: 1449000 CPU: 5793.2, 0.00394942/step Wall: 5793.2, 0.00394942/step, 1.15301 hours remaining, 114.367188 MB of memory in use. ENERGY: 1449000 633.6315 1830.1435 1964.2763 103.0002 1.9711 -1066.7901 0.0000 0.0000 2684.3407 6150.5732 296.4929 3466.2325 6184.4590 297.0260 PRESSURE: 1449200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1449200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1449200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1449200 0 0 0 0 0 0 0 0 0 TIMING: 1449200 CPU: 5793.99, 0.00394564/step Wall: 5793.99, 0.00394564/step, 1.15169 hours remaining, 114.367188 MB of memory in use. ENERGY: 1449200 619.4061 1823.6388 2002.8757 118.4332 2.6944 -1064.8671 0.0000 0.0000 2665.7984 6167.9795 294.4449 3502.1811 6200.4291 295.9754 PRESSURE: 1449400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1449400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1449400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1449400 0 0 0 0 0 0 0 0 0 TIMING: 1449400 CPU: 5794.78, 0.00394918/step Wall: 5794.78, 0.00394918/step, 1.1525 hours remaining, 114.367188 MB of memory in use. ENERGY: 1449400 646.3606 1793.5625 1993.1895 114.8523 0.8336 -1093.1023 0.0000 0.0000 2685.0324 6140.7285 296.5693 3455.6961 6173.1602 296.4504 PRESSURE: 1449600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1449600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1449600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1449600 0 0 0 0 0 0 0 0 0 TIMING: 1449600 CPU: 5795.57, 0.00394922/step Wall: 5795.57, 0.00394922/step, 1.1523 hours remaining, 114.367188 MB of memory in use. ENERGY: 1449600 692.2490 1798.3189 1973.8284 113.2668 2.3958 -1082.5438 0.0000 0.0000 2693.2077 6190.7228 297.4723 3497.5151 6222.3074 297.6185 PRESSURE: 1449800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1449800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1449800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1449800 0 0 0 0 0 0 0 0 0 TIMING: 1449800 CPU: 5796.36, 0.0039484/step Wall: 5796.36, 0.0039484/step, 1.15183 hours remaining, 114.367188 MB of memory in use. ENERGY: 1449800 639.6352 1808.8494 1985.9321 112.9659 3.3968 -1046.5169 0.0000 0.0000 2750.1990 6254.4615 303.7671 3504.2625 6289.5743 299.8692 PRESSURE: 1450000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1450000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1450000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1450000 0 0 0 0 0 0 0 0 0 TIMING: 1450000 CPU: 5797.15, 0.00394979/step Wall: 5797.15, 0.00394979/step, 1.15202 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1450000 662.1705 1806.1498 1975.6579 105.6164 2.2371 -1052.2684 0.0000 0.0000 2724.0067 6223.5700 300.8741 3499.5634 6254.5428 300.3260 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1450000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1450000 WRITING COORDINATES TO RESTART FILE AT STEP 1450000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1450000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1450200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1450200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1450200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1450200 0 0 0 0 0 0 0 0 0 TIMING: 1450200 CPU: 5797.98, 0.00415697/step Wall: 5797.98, 0.00415697/step, 1.21222 hours remaining, 114.367188 MB of memory in use. ENERGY: 1450200 649.3397 1870.4645 1992.2653 109.8299 2.2421 -1078.9518 0.0000 0.0000 2682.9754 6228.1651 296.3421 3545.1897 6258.1547 300.3805 PRESSURE: 1450400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1450400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1450400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1450400 0 0 0 0 0 0 0 0 0 TIMING: 1450400 CPU: 5798.77, 0.0039502/step Wall: 5798.77, 0.0039502/step, 1.1517 hours remaining, 114.367188 MB of memory in use. ENERGY: 1450400 682.3956 1843.8508 1973.4367 102.3546 1.1242 -1073.4355 0.0000 0.0000 2702.6437 6232.3701 298.5145 3529.7264 6264.1843 300.6580 PRESSURE: 1450600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1450600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1450600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1450600 0 0 0 0 0 0 0 0 0 TIMING: 1450600 CPU: 5799.56, 0.00395045/step Wall: 5799.56, 0.00395045/step, 1.15156 hours remaining, 114.367188 MB of memory in use. ENERGY: 1450600 676.6197 1806.9952 2010.2676 112.0913 0.6934 -1074.9888 0.0000 0.0000 2683.3521 6215.0305 296.3837 3531.6784 6244.2588 298.5947 PRESSURE: 1450800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1450800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1450800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1450800 0 0 0 0 0 0 0 0 0 TIMING: 1450800 CPU: 5800.35, 0.00394971/step Wall: 5800.35, 0.00394971/step, 1.15112 hours remaining, 114.367188 MB of memory in use. ENERGY: 1450800 650.2391 1810.4901 2013.9086 121.6314 0.9136 -1082.0274 0.0000 0.0000 2678.1018 6193.2573 295.8038 3515.1555 6224.5742 299.4728 PRESSURE: 1451000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1451000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1451000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1451000 0 0 0 0 0 0 0 0 0 TIMING: 1451000 CPU: 5801.14, 0.00395044/step Wall: 5801.14, 0.00395044/step, 1.15111 hours remaining, 114.367188 MB of memory in use. ENERGY: 1451000 680.7834 1844.6773 1983.2924 105.9155 0.6140 -1089.0953 0.0000 0.0000 2669.2505 6195.4378 294.8262 3526.1872 6227.0274 299.2264 PRESSURE: 1451200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1451200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1451200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1451200 0 0 0 0 0 0 0 0 0 TIMING: 1451200 CPU: 5801.93, 0.00394542/step Wall: 5801.93, 0.00394542/step, 1.14943 hours remaining, 114.367188 MB of memory in use. ENERGY: 1451200 622.4665 1844.2487 1989.4711 81.7209 2.1157 -1081.4024 0.0000 0.0000 2732.9219 6191.5424 301.8588 3458.6205 6223.9315 300.7613 PRESSURE: 1451400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1451400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1451400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1451400 0 0 0 0 0 0 0 0 0 TIMING: 1451400 CPU: 5802.72, 0.00394895/step Wall: 5802.72, 0.00394895/step, 1.15024 hours remaining, 114.367188 MB of memory in use. ENERGY: 1451400 659.5536 1817.2860 1967.5595 104.6766 2.5233 -1065.8007 0.0000 0.0000 2721.9814 6207.7797 300.6504 3485.7983 6241.8198 299.9849 PRESSURE: 1451600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1451600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1451600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1451600 0 0 0 0 0 0 0 0 0 TIMING: 1451600 CPU: 5803.51, 0.00394894/step Wall: 5803.51, 0.00394894/step, 1.15002 hours remaining, 114.367188 MB of memory in use. ENERGY: 1451600 643.6004 1833.1717 1987.6564 107.6376 1.2250 -1071.3577 0.0000 0.0000 2722.8494 6224.7829 300.7463 3501.9335 6257.2916 300.0904 PRESSURE: 1451800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1451800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1451800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1451800 0 0 0 0 0 0 0 0 0 TIMING: 1451800 CPU: 5804.3, 0.00395469/step Wall: 5804.3, 0.00395469/step, 1.15148 hours remaining, 114.367188 MB of memory in use. ENERGY: 1451800 669.0996 1831.9888 1987.6487 94.1938 0.9634 -1107.8613 0.0000 0.0000 2702.3501 6178.3830 298.4821 3476.0329 6212.4714 298.9702 PRESSURE: 1452000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1452000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1452000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1452000 0 0 0 0 0 0 0 0 0 TIMING: 1452000 CPU: 5805.09, 0.00394933/step Wall: 5805.09, 0.00394933/step, 1.1497 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1452000 639.6171 1819.5274 2011.6172 103.0256 2.6341 -1095.3239 0.0000 0.0000 2698.9061 6180.0036 298.1017 3481.0976 6213.6851 298.6851 PRESSURE: 1452200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1452200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1452200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1452200 0 0 0 0 0 0 0 0 0 TIMING: 1452200 CPU: 5805.88, 0.00394866/step Wall: 5805.88, 0.00394866/step, 1.14928 hours remaining, 114.367188 MB of memory in use. ENERGY: 1452200 646.7850 1816.7035 1975.7675 106.2424 1.5398 -1101.1040 0.0000 0.0000 2713.5840 6159.5183 299.7229 3445.9343 6194.4061 297.8071 LDB: ============= START OF LOAD BALANCING ============== 5808.84 LDB: ============== END OF LOAD BALANCING =============== 5808.84 LDB: =============== DONE WITH MIGRATION ================ 5808.84 LDB: ============= START OF LOAD BALANCING ============== 5809.23 LDB: ============== END OF LOAD BALANCING =============== 5809.23 LDB: =============== DONE WITH MIGRATION ================ 5809.23 PRESSURE: 1452400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1452400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1452400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1452400 0 0 0 0 0 0 0 0 0 TIMING: 1452400 CPU: 5806.67, 0.00395206/step Wall: 5806.67, 0.00395206/step, 1.15005 hours remaining, 114.367188 MB of memory in use. ENERGY: 1452400 658.2654 1784.6904 1976.3712 110.0801 2.1165 -1067.6856 0.0000 0.0000 2660.2711 6124.1093 293.8344 3463.8382 6152.7105 296.8817 PRESSURE: 1452600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1452600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1452600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1452600 0 0 0 0 0 0 0 0 0 TIMING: 1452600 CPU: 5807.46, 0.00394819/step Wall: 5807.46, 0.00394819/step, 1.14871 hours remaining, 114.367188 MB of memory in use. ENERGY: 1452600 657.5952 1836.1508 2000.7326 102.4470 0.8620 -1121.6470 0.0000 0.0000 2706.1769 6182.3175 298.9048 3476.1406 6212.8077 296.9786 PRESSURE: 1452800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1452800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1452800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1452800 0 0 0 0 0 0 0 0 0 TIMING: 1452800 CPU: 5808.25, 0.00394785/step Wall: 5808.25, 0.00394785/step, 1.14839 hours remaining, 114.367188 MB of memory in use. ENERGY: 1452800 640.2620 1877.8541 1994.5532 107.5065 2.3653 -1057.3750 0.0000 0.0000 2648.9460 6214.1122 292.5835 3565.1662 6246.1315 299.7251 PRESSURE: 1453000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1453000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1453000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1453000 0 0 0 0 0 0 0 0 0 TIMING: 1453000 CPU: 5809.04, 0.00394505/step Wall: 5809.04, 0.00394505/step, 1.14735 hours remaining, 114.367188 MB of memory in use. ENERGY: 1453000 647.6551 1807.3513 1984.1790 112.2151 1.4314 -1085.2884 0.0000 0.0000 2651.6294 6119.1728 292.8798 3467.5435 6151.8314 297.1227 PRESSURE: 1453200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1453200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1453200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1453200 0 0 0 0 0 0 0 0 0 TIMING: 1453200 CPU: 5809.83, 0.00394853/step Wall: 5809.83, 0.00394853/step, 1.14814 hours remaining, 114.367188 MB of memory in use. ENERGY: 1453200 655.1879 1829.0703 1987.5050 108.5678 1.4863 -1110.4518 0.0000 0.0000 2647.4449 6118.8105 292.4177 3471.3655 6150.4302 295.5016 PRESSURE: 1453400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1453400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1453400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1453400 0 0 0 0 0 0 0 0 0 TIMING: 1453400 CPU: 5810.62, 0.00394931/step Wall: 5810.62, 0.00394931/step, 1.14815 hours remaining, 114.367188 MB of memory in use. ENERGY: 1453400 664.2082 1841.6226 1953.0685 104.0507 1.7250 -1088.4410 0.0000 0.0000 2624.4466 6100.6805 289.8774 3476.2339 6130.4062 294.4753 PRESSURE: 1453600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1453600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1453600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1453600 0 0 0 0 0 0 0 0 0 TIMING: 1453600 CPU: 5811.41, 0.00395216/step Wall: 5811.41, 0.00395216/step, 1.14876 hours remaining, 114.367188 MB of memory in use. ENERGY: 1453600 627.2072 1811.7942 1979.6350 101.9515 1.4060 -1118.0259 0.0000 0.0000 2667.1084 6071.0765 294.5896 3403.9681 6103.0813 293.7451 PRESSURE: 1453800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1453800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1453800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1453800 0 0 0 0 0 0 0 0 0 TIMING: 1453800 CPU: 5812.2, 0.00394829/step Wall: 5812.2, 0.00394828/step, 1.14741 hours remaining, 114.367188 MB of memory in use. ENERGY: 1453800 654.0146 1815.9572 1991.1314 102.2965 1.9680 -1083.3492 0.0000 0.0000 2681.9754 6163.9939 296.2317 3482.0185 6196.0050 294.4036 PRESSURE: 1454000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1454000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1454000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1454000 0 0 0 0 0 0 0 0 0 TIMING: 1454000 CPU: 5812.99, 0.00394609/step Wall: 5812.99, 0.00394609/step, 1.14656 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1454000 647.4013 1818.2210 1995.5069 116.0012 0.6570 -1108.9392 0.0000 0.0000 2709.2366 6178.0847 299.2427 3468.8482 6208.3798 297.4109 PRESSURE: 1454200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1454200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1454200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1454200 0 0 0 0 0 0 0 0 0 TIMING: 1454200 CPU: 5813.78, 0.00394992/step Wall: 5813.78, 0.00394992/step, 1.14745 hours remaining, 114.367188 MB of memory in use. ENERGY: 1454200 607.9562 1832.9799 1972.3546 110.8034 2.1060 -1078.7499 0.0000 0.0000 2715.6858 6163.1359 299.9551 3447.4501 6196.3273 298.3440 PRESSURE: 1454400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1454400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1454400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1454400 0 0 0 0 0 0 0 0 0 TIMING: 1454400 CPU: 5814.57, 0.00394842/step Wall: 5814.57, 0.00394842/step, 1.1468 hours remaining, 114.367188 MB of memory in use. ENERGY: 1454400 644.5672 1820.2267 1991.6879 111.8085 1.7050 -1107.4359 0.0000 0.0000 2675.5559 6138.1152 295.5226 3462.5593 6169.5811 296.3095 PRESSURE: 1454600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1454600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1454600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1454600 0 0 0 0 0 0 0 0 0 TIMING: 1454600 CPU: 5815.36, 0.00394884/step Wall: 5815.36, 0.00394884/step, 1.1467 hours remaining, 114.367188 MB of memory in use. ENERGY: 1454600 615.9088 1791.2263 1974.7673 108.2113 -0.2065 -1080.0435 0.0000 0.0000 2736.4412 6146.3049 302.2476 3409.8637 6179.0479 296.9781 PRESSURE: 1454800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1454800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1454800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1454800 0 0 0 0 0 0 0 0 0 TIMING: 1454800 CPU: 5816.15, 0.00394899/step Wall: 5816.15, 0.00394899/step, 1.14652 hours remaining, 114.367188 MB of memory in use. ENERGY: 1454800 641.8089 1904.0302 1952.8914 94.0959 0.4794 -1098.9564 0.0000 0.0000 2721.3724 6215.7217 300.5832 3494.3494 6249.1707 297.8666 PRESSURE: 1455000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1455000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1455000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1455000 0 0 0 0 0 0 0 0 0 TIMING: 1455000 CPU: 5816.94, 0.00394509/step Wall: 5816.94, 0.00394508/step, 1.14517 hours remaining, 114.367188 MB of memory in use. ENERGY: 1455000 654.6088 1913.3072 1956.9091 100.7535 2.5713 -1087.3266 0.0000 0.0000 2650.5489 6191.3723 292.7605 3540.8234 6226.3889 298.3727 PRESSURE: 1455200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1455200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1455200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1455200 0 0 0 0 0 0 0 0 0 TIMING: 1455200 CPU: 5817.73, 0.00394912/step Wall: 5817.73, 0.00394912/step, 1.14612 hours remaining, 114.367188 MB of memory in use. ENERGY: 1455200 654.6332 1842.9492 1970.3607 104.7581 1.6091 -1115.6884 0.0000 0.0000 2737.6582 6196.2801 302.3820 3458.6219 6230.2630 299.9066 PRESSURE: 1455400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1455400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1455400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1455400 0 0 0 0 0 0 0 0 0 TIMING: 1455400 CPU: 5818.52, 0.00396255/step Wall: 5818.52, 0.00396255/step, 1.1498 hours remaining, 114.367188 MB of memory in use. ENERGY: 1455400 665.7376 1845.5149 1962.7800 99.6428 2.2798 -1079.6905 0.0000 0.0000 2707.3597 6203.6243 299.0354 3496.2646 6236.4666 300.7457 PRESSURE: 1455600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1455600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1455600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1455600 0 0 0 0 0 0 0 0 0 TIMING: 1455600 CPU: 5819.31, 0.00394915/step Wall: 5819.31, 0.00394915/step, 1.14569 hours remaining, 114.367188 MB of memory in use. ENERGY: 1455600 647.3321 1843.4778 1978.6861 117.9930 2.1071 -1036.9307 0.0000 0.0000 2657.9056 6210.5710 293.5731 3552.6655 6241.9676 299.2395 PRESSURE: 1455800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1455800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1455800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1455800 0 0 0 0 0 0 0 0 0 TIMING: 1455800 CPU: 5820.1, 0.00394593/step Wall: 5820.1, 0.00394593/step, 1.14454 hours remaining, 114.367188 MB of memory in use. ENERGY: 1455800 683.6536 1818.8121 1961.3052 113.7447 0.5468 -1085.6074 0.0000 0.0000 2706.5833 6199.0382 298.9497 3492.4549 6234.0209 298.3325 PRESSURE: 1456000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1456000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1456000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1456000 0 0 0 0 0 0 0 0 0 TIMING: 1456000 CPU: 5820.89, 0.00394867/step Wall: 5820.89, 0.00394867/step, 1.14512 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1456000 614.9605 1827.5961 1999.2552 112.3135 2.0513 -1069.8683 0.0000 0.0000 2705.2963 6191.6046 298.8075 3486.3083 6223.9456 298.1758 PRESSURE: 1456200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1456200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1456200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1456200 0 0 0 0 0 0 0 0 0 TIMING: 1456200 CPU: 5821.68, 0.00395046/step Wall: 5821.68, 0.00395046/step, 1.14541 hours remaining, 114.367188 MB of memory in use. ENERGY: 1456200 665.7188 1833.8442 1978.5700 107.5884 1.3953 -1057.6427 0.0000 0.0000 2701.4657 6230.9397 298.3844 3529.4740 6261.6631 299.3835 LDB: ============= START OF LOAD BALANCING ============== 5824.64 LDB: ============== END OF LOAD BALANCING =============== 5824.64 LDB: =============== DONE WITH MIGRATION ================ 5824.64 LDB: ============= START OF LOAD BALANCING ============== 5825.03 LDB: ============== END OF LOAD BALANCING =============== 5825.03 LDB: =============== DONE WITH MIGRATION ================ 5825.03 PRESSURE: 1456400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1456400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1456400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1456400 0 0 0 0 0 0 0 0 0 TIMING: 1456400 CPU: 5822.47, 0.00395327/step Wall: 5822.47, 0.00395327/step, 1.14601 hours remaining, 114.367188 MB of memory in use. ENERGY: 1456400 627.1667 1845.0635 1946.6538 112.7535 2.2767 -1103.5961 0.0000 0.0000 2727.2839 6157.6019 301.2361 3430.3180 6193.2881 298.0695 PRESSURE: 1456600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1456600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1456600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1456600 0 0 0 0 0 0 0 0 0 TIMING: 1456600 CPU: 5823.26, 0.0039488/step Wall: 5823.26, 0.0039488/step, 1.14449 hours remaining, 114.367188 MB of memory in use. ENERGY: 1456600 629.2464 1874.3392 1951.3231 102.2987 1.8274 -1065.7443 0.0000 0.0000 2729.3647 6222.6553 301.4659 3493.2906 6255.7741 298.4138 PRESSURE: 1456800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1456800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1456800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1456800 0 0 0 0 0 0 0 0 0 TIMING: 1456800 CPU: 5824.05, 0.00394551/step Wall: 5824.05, 0.00394551/step, 1.14332 hours remaining, 114.367188 MB of memory in use. ENERGY: 1456800 636.3379 1820.3884 1989.3890 109.1241 1.8629 -1055.1947 0.0000 0.0000 2730.7370 6232.6447 301.6175 3501.9077 6266.0009 299.6834 PRESSURE: 1457000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1457000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1457000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1457000 0 0 0 0 0 0 0 0 0 TIMING: 1457000 CPU: 5824.84, 0.0039478/step Wall: 5824.84, 0.0039478/step, 1.14377 hours remaining, 114.367188 MB of memory in use. ENERGY: 1457000 648.5583 1848.9805 1968.0785 121.6663 1.3720 -1102.8709 0.0000 0.0000 2710.3317 6196.1165 299.3637 3485.7848 6226.8667 297.7821 PRESSURE: 1457200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1457200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1457200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1457200 0 0 0 0 0 0 0 0 0 TIMING: 1457200 CPU: 5825.63, 0.00394865/step Wall: 5825.63, 0.00394865/step, 1.14379 hours remaining, 114.367188 MB of memory in use. ENERGY: 1457200 618.6634 1784.7262 1973.9135 107.7691 1.8891 -1044.4060 0.0000 0.0000 2763.2346 6205.7898 305.2070 3442.5553 6240.4429 297.7926 PRESSURE: 1457400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1457400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1457400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1457400 0 0 0 0 0 0 0 0 0 TIMING: 1457400 CPU: 5826.42, 0.00394831/step Wall: 5826.42, 0.00394831/step, 1.14347 hours remaining, 114.367188 MB of memory in use. ENERGY: 1457400 667.9520 1845.0296 1968.1996 104.9748 1.2432 -1073.7716 0.0000 0.0000 2659.7904 6173.4180 293.7813 3513.6276 6204.4456 298.1425 PRESSURE: 1457600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1457600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1457600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1457600 0 0 0 0 0 0 0 0 0 TIMING: 1457600 CPU: 5827.21, 0.00395002/step Wall: 5827.21, 0.00395002/step, 1.14375 hours remaining, 114.367188 MB of memory in use. ENERGY: 1457600 622.8180 1850.5562 1956.7403 99.4888 2.1282 -1066.6011 0.0000 0.0000 2750.3464 6215.4767 303.7834 3465.1304 6251.1802 297.6736 PRESSURE: 1457800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1457800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1457800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1457800 0 0 0 0 0 0 0 0 0 TIMING: 1457800 CPU: 5827.99, 0.00394789/step Wall: 5827.99, 0.00394789/step, 1.14291 hours remaining, 114.367188 MB of memory in use. ENERGY: 1457800 686.5401 1828.7558 1948.1636 106.4448 2.3325 -1134.7816 0.0000 0.0000 2683.7782 6121.2335 296.4308 3437.4552 6153.7417 298.6502 PRESSURE: 1458000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1458000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1458000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1458000 0 0 0 0 0 0 0 0 0 TIMING: 1458000 CPU: 5828.79, 0.00395112/step Wall: 5828.79, 0.00395112/step, 1.14363 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1458000 647.5421 1835.1424 2012.1154 104.5391 0.4622 -1113.6276 0.0000 0.0000 2694.5571 6180.7307 297.6213 3486.1736 6212.1713 297.2234 PRESSURE: 1458200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1458200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1458200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1458200 0 0 0 0 0 0 0 0 0 TIMING: 1458200 CPU: 5829.58, 0.00395054/step Wall: 5829.58, 0.00395054/step, 1.14324 hours remaining, 114.367188 MB of memory in use. ENERGY: 1458200 612.7804 1833.9116 2018.8045 98.7814 1.3027 -1105.4611 0.0000 0.0000 2738.5674 6198.6868 302.4824 3460.1194 6231.2930 298.0957 PRESSURE: 1458400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1458400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1458400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1458400 0 0 0 0 0 0 0 0 0 TIMING: 1458400 CPU: 5830.36, 0.00394716/step Wall: 5830.36, 0.00394716/step, 1.14205 hours remaining, 114.367188 MB of memory in use. ENERGY: 1458400 661.3444 1881.3816 1990.0795 117.5108 0.7592 -1085.5023 0.0000 0.0000 2693.8466 6259.4198 297.5429 3565.5732 6290.6768 300.4475 PRESSURE: 1458600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1458600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1458600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1458600 0 0 0 0 0 0 0 0 0 TIMING: 1458600 CPU: 5831.15, 0.00394862/step Wall: 5831.15, 0.00394862/step, 1.14225 hours remaining, 114.367188 MB of memory in use. ENERGY: 1458600 678.9016 1813.6779 1950.5545 117.1612 1.2778 -1106.1920 0.0000 0.0000 2829.1414 6284.5224 312.4865 3455.3810 6322.0366 302.4740 PRESSURE: 1458800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1458800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1458800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1458800 0 0 0 0 0 0 0 0 0 TIMING: 1458800 CPU: 5831.94, 0.00394635/step Wall: 5831.94, 0.00394635/step, 1.14137 hours remaining, 114.367188 MB of memory in use. ENERGY: 1458800 686.4490 1787.2242 1980.2390 100.0233 1.4410 -1081.1331 0.0000 0.0000 2770.3216 6244.5651 305.9897 3474.2434 6278.1250 302.3948 PRESSURE: 1459000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1459000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1459000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1459000 0 0 0 0 0 0 0 0 0 TIMING: 1459000 CPU: 5832.73, 0.00394815/step Wall: 5832.73, 0.00394815/step, 1.14167 hours remaining, 114.367188 MB of memory in use. ENERGY: 1459000 689.5949 1851.4492 1983.3344 101.1469 2.0984 -1122.1432 0.0000 0.0000 2689.4932 6194.9738 297.0620 3505.4805 6228.5675 300.7953 PRESSURE: 1459200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1459200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1459200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1459200 0 0 0 0 0 0 0 0 0 TIMING: 1459200 CPU: 5833.52, 0.00394866/step Wall: 5833.52, 0.00394866/step, 1.1416 hours remaining, 114.367188 MB of memory in use. ENERGY: 1459200 670.7172 1849.6774 1974.1659 107.6244 -0.0620 -1116.5056 0.0000 0.0000 2712.3677 6197.9850 299.5886 3485.6173 6229.6338 298.4606 PRESSURE: 1459400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1459400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1459400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1459400 0 0 0 0 0 0 0 0 0 TIMING: 1459400 CPU: 5834.31, 0.00394825/step Wall: 5834.31, 0.00394825/step, 1.14126 hours remaining, 114.367188 MB of memory in use. ENERGY: 1459400 657.4103 1848.1263 1990.2852 105.8147 -0.6727 -1081.6681 0.0000 0.0000 2710.1025 6229.3982 299.3384 3519.2957 6262.6518 300.9600 PRESSURE: 1459600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1459600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1459600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1459600 0 0 0 0 0 0 0 0 0 TIMING: 1459600 CPU: 5835.1, 0.00394681/step Wall: 5835.1, 0.00394681/step, 1.14063 hours remaining, 114.367188 MB of memory in use. ENERGY: 1459600 645.0574 1864.5638 1994.4646 109.7878 0.3754 -1098.3447 0.0000 0.0000 2733.9734 6249.8776 301.9750 3515.9042 6283.9271 300.4061 PRESSURE: 1459800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1459800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1459800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1459800 0 0 0 0 0 0 0 0 0 TIMING: 1459800 CPU: 5835.89, 0.00394583/step Wall: 5835.89, 0.00394583/step, 1.14013 hours remaining, 114.367188 MB of memory in use. ENERGY: 1459800 710.7206 1858.5087 1942.6616 105.5599 0.3272 -1116.6486 0.0000 0.0000 2689.0979 6190.2274 297.0184 3501.1295 6221.6520 299.9150 PRESSURE: 1460000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1460000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1460000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1460000 0 0 0 0 0 0 0 0 0 TIMING: 1460000 CPU: 5836.68, 0.00394742/step Wall: 5836.68, 0.00394742/step, 1.14037 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1460000 683.5411 1862.0986 1983.0199 113.8920 1.7020 -1079.9328 0.0000 0.0000 2673.3888 6237.7096 295.2832 3564.3207 6268.5999 299.1896 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1460000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1460000 WRITING COORDINATES TO RESTART FILE AT STEP 1460000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1460000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1460200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1460200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1460200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1460200 0 0 0 0 0 0 0 0 0 TIMING: 1460200 CPU: 5837.53, 0.00425381/step Wall: 5837.53, 0.00425381/step, 1.22864 hours remaining, 114.367188 MB of memory in use. ENERGY: 1460200 684.5552 1883.9160 1998.0720 110.0507 0.4783 -1130.3137 0.0000 0.0000 2683.0663 6229.8248 296.3521 3546.7585 6261.1561 301.8882 LDB: ============= START OF LOAD BALANCING ============== 5840.49 LDB: ============== END OF LOAD BALANCING =============== 5840.49 LDB: =============== DONE WITH MIGRATION ================ 5840.49 LDB: ============= START OF LOAD BALANCING ============== 5840.89 LDB: ============== END OF LOAD BALANCING =============== 5840.89 LDB: =============== DONE WITH MIGRATION ================ 5840.89 PRESSURE: 1460400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1460400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1460400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1460400 0 0 0 0 0 0 0 0 0 TIMING: 1460400 CPU: 5838.32, 0.00395375/step Wall: 5838.32, 0.00395376/step, 1.14176 hours remaining, 114.367188 MB of memory in use. ENERGY: 1460400 666.2891 1820.1086 1966.0556 110.2445 0.7603 -1095.8051 0.0000 0.0000 2707.9489 6175.6019 299.1005 3467.6529 6210.1112 299.6990 PRESSURE: 1460600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1460600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1460600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1460600 0 0 0 0 0 0 0 0 0 TIMING: 1460600 CPU: 5839.11, 0.00394713/step Wall: 5839.11, 0.00394713/step, 1.13962 hours remaining, 114.367188 MB of memory in use. ENERGY: 1460600 653.7858 1843.5674 1973.6057 105.4356 1.1312 -1092.6911 0.0000 0.0000 2651.3750 6136.2097 292.8518 3484.8347 6168.2148 297.0754 PRESSURE: 1460800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1460800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1460800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1460800 0 0 0 0 0 0 0 0 0 TIMING: 1460800 CPU: 5839.9, 0.00394933/step Wall: 5839.9, 0.00394933/step, 1.14004 hours remaining, 114.367188 MB of memory in use. ENERGY: 1460800 641.1812 1810.3456 1974.9860 101.0680 -0.3664 -1107.2123 0.0000 0.0000 2714.4421 6134.4441 299.8177 3420.0021 6167.3956 294.7484 PRESSURE: 1461000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1461000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1461000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1461000 0 0 0 0 0 0 0 0 0 TIMING: 1461000 CPU: 5840.69, 0.00394853/step Wall: 5840.69, 0.00394853/step, 1.13959 hours remaining, 114.367188 MB of memory in use. ENERGY: 1461000 656.3404 1817.7106 1955.1245 112.0939 1.0681 -1074.3201 0.0000 0.0000 2667.5470 6135.5644 294.6380 3468.0174 6164.8772 295.0002 PRESSURE: 1461200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1461200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1461200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1461200 0 0 0 0 0 0 0 0 0 TIMING: 1461200 CPU: 5841.48, 0.0039502/step Wall: 5841.48, 0.0039502/step, 1.13985 hours remaining, 114.367188 MB of memory in use. ENERGY: 1461200 624.5345 1813.2790 1987.9158 107.1499 1.2032 -1088.5628 0.0000 0.0000 2709.6343 6155.1539 299.2867 3445.5196 6187.7154 296.2964 PRESSURE: 1461400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1461400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1461400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1461400 0 0 0 0 0 0 0 0 0 TIMING: 1461400 CPU: 5842.27, 0.00394896/step Wall: 5842.27, 0.00394896/step, 1.13928 hours remaining, 114.367188 MB of memory in use. ENERGY: 1461400 636.9058 1771.3674 1988.6731 110.1103 1.6302 -1077.8234 0.0000 0.0000 2684.5381 6115.4013 296.5147 3430.8632 6153.2059 294.1296 PRESSURE: 1461600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1461600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1461600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1461600 0 0 0 0 0 0 0 0 0 TIMING: 1461600 CPU: 5843.06, 0.00394617/step Wall: 5843.06, 0.00394617/step, 1.13825 hours remaining, 114.367188 MB of memory in use. ENERGY: 1461600 643.1969 1795.4678 1975.4630 116.3896 1.1417 -1069.5677 0.0000 0.0000 2709.5207 6171.6119 299.2741 3462.0913 6204.8172 294.8441 PRESSURE: 1461800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1461800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1461800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1461800 0 0 0 0 0 0 0 0 0 TIMING: 1461800 CPU: 5843.85, 0.00394713/step Wall: 5843.85, 0.00394713/step, 1.13831 hours remaining, 114.367188 MB of memory in use. ENERGY: 1461800 663.9222 1790.5071 1972.2871 109.5686 1.6008 -1100.4278 0.0000 0.0000 2699.6148 6137.0727 298.1800 3437.4579 6172.2568 295.7743 PRESSURE: 1462000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1462000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1462000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1462000 0 0 0 0 0 0 0 0 0 TIMING: 1462000 CPU: 5844.64, 0.00394885/step Wall: 5844.64, 0.00394885/step, 1.13859 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1462000 674.3760 1772.2664 1984.2671 119.9264 2.3430 -1095.3176 0.0000 0.0000 2632.2794 6090.1407 290.7426 3457.8613 6123.2031 293.5828 PRESSURE: 1462200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1462200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1462200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1462200 0 0 0 0 0 0 0 0 0 TIMING: 1462200 CPU: 5845.43, 0.00394981/step Wall: 5845.43, 0.00394981/step, 1.13864 hours remaining, 114.367188 MB of memory in use. ENERGY: 1462200 688.3868 1786.2436 1963.9915 107.9207 2.2545 -1101.4443 0.0000 0.0000 2624.8939 6072.2467 289.9268 3447.3527 6102.5246 291.7148 PRESSURE: 1462400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1462400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1462400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1462400 0 0 0 0 0 0 0 0 0 TIMING: 1462400 CPU: 5846.22, 0.00394867/step Wall: 5846.22, 0.00394867/step, 1.13809 hours remaining, 114.367188 MB of memory in use. ENERGY: 1462400 641.4263 1858.1813 1981.5288 98.6565 1.6600 -1109.0713 0.0000 0.0000 2581.0258 6053.4074 285.0815 3472.3816 6082.4815 291.7171 PRESSURE: 1462600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1462600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1462600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1462600 0 0 0 0 0 0 0 0 0 TIMING: 1462600 CPU: 5847.01, 0.00394553/step Wall: 5847.01, 0.00394553/step, 1.13697 hours remaining, 114.367188 MB of memory in use. ENERGY: 1462600 631.6194 1844.9577 1947.0319 109.2009 1.3574 -1125.2577 0.0000 0.0000 2677.2879 6086.1975 295.7139 3408.9096 6119.3310 293.2271 PRESSURE: 1462800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1462800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1462800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1462800 0 0 0 0 0 0 0 0 0 TIMING: 1462800 CPU: 5847.8, 0.00395004/step Wall: 5847.8, 0.00395004/step, 1.13805 hours remaining, 114.367188 MB of memory in use. ENERGY: 1462800 623.5164 1820.3416 1975.7360 107.4508 1.3059 -1092.6207 0.0000 0.0000 2640.5073 6076.2374 291.6514 3435.7300 6104.9405 293.4880 PRESSURE: 1463000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1463000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1463000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1463000 0 0 0 0 0 0 0 0 0 TIMING: 1463000 CPU: 5848.59, 0.00394924/step Wall: 5848.59, 0.00394924/step, 1.1376 hours remaining, 114.367188 MB of memory in use. ENERGY: 1463000 652.1403 1797.4749 1960.9771 113.1554 1.4706 -1062.2935 0.0000 0.0000 2653.3160 6116.2408 293.0661 3462.9248 6146.1730 292.3389 PRESSURE: 1463200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1463200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1463200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1463200 0 0 0 0 0 0 0 0 0 TIMING: 1463200 CPU: 5849.38, 0.00395096/step Wall: 5849.38, 0.00395096/step, 1.13788 hours remaining, 114.367188 MB of memory in use. ENERGY: 1463200 632.4788 1842.8779 1977.2450 102.2665 0.7755 -1086.3766 0.0000 0.0000 2706.8148 6176.0819 298.9752 3469.2671 6208.9008 297.0913 PRESSURE: 1463400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1463400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1463400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1463400 0 0 0 0 0 0 0 0 0 TIMING: 1463400 CPU: 5850.17, 0.00394655/step Wall: 5850.17, 0.00394655/step, 1.13639 hours remaining, 114.367188 MB of memory in use. ENERGY: 1463400 672.6947 1808.3413 1947.3991 115.4259 0.1830 -1061.9345 0.0000 0.0000 2676.1169 6158.2265 295.5846 3482.1095 6191.7612 295.5317 PRESSURE: 1463600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1463600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1463600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1463600 0 0 0 0 0 0 0 0 0 TIMING: 1463600 CPU: 5850.96, 0.00394819/step Wall: 5850.96, 0.00394819/step, 1.13664 hours remaining, 114.367188 MB of memory in use. ENERGY: 1463600 631.1168 1821.9856 1952.5310 115.5266 1.7690 -1048.6168 0.0000 0.0000 2698.0706 6172.3828 298.0094 3474.3122 6202.6223 295.3027 PRESSURE: 1463800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1463800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1463800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1463800 0 0 0 0 0 0 0 0 0 TIMING: 1463800 CPU: 5851.75, 0.00395041/step Wall: 5851.75, 0.00395041/step, 1.13706 hours remaining, 114.367188 MB of memory in use. ENERGY: 1463800 665.2154 1794.2405 1961.5848 119.4682 1.0086 -1065.1696 0.0000 0.0000 2699.1266 6175.4745 298.1261 3476.3479 6209.0011 297.1290 PRESSURE: 1464000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1464000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1464000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1464000 0 0 0 0 0 0 0 0 0 TIMING: 1464000 CPU: 5852.54, 0.00394827/step Wall: 5852.54, 0.00394827/step, 1.13622 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1464000 640.3369 1836.6731 1957.9618 114.0835 1.6932 -1089.9417 0.0000 0.0000 2735.0393 6195.8461 302.0927 3460.8068 6230.1844 297.9938 PRESSURE: 1464200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1464200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1464200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1464200 0 0 0 0 0 0 0 0 0 TIMING: 1464200 CPU: 5853.33, 0.00394906/step Wall: 5853.33, 0.00394906/step, 1.13623 hours remaining, 114.367188 MB of memory in use. ENERGY: 1464200 657.0336 1867.6613 1990.5407 119.1541 1.4998 -1046.5142 0.0000 0.0000 2646.0540 6235.4293 292.2640 3589.3753 6266.5162 298.2502 LDB: ============= START OF LOAD BALANCING ============== 5856.29 LDB: ============== END OF LOAD BALANCING =============== 5856.29 LDB: =============== DONE WITH MIGRATION ================ 5856.29 LDB: ============= START OF LOAD BALANCING ============== 5856.68 LDB: ============== END OF LOAD BALANCING =============== 5856.68 LDB: =============== DONE WITH MIGRATION ================ 5856.68 PRESSURE: 1464400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1464400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1464400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1464400 0 0 0 0 0 0 0 0 0 TIMING: 1464400 CPU: 5854.12, 0.00395026/step Wall: 5854.12, 0.00395026/step, 1.13636 hours remaining, 114.367188 MB of memory in use. ENERGY: 1464400 659.7839 1876.7815 1998.5384 103.7390 0.8777 -1062.2700 0.0000 0.0000 2660.7365 6238.1869 293.8858 3577.4505 6267.2618 299.2692 PRESSURE: 1464600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1464600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1464600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1464600 0 0 0 0 0 0 0 0 0 TIMING: 1464600 CPU: 5854.91, 0.00394872/step Wall: 5854.91, 0.00394872/step, 1.1357 hours remaining, 114.367188 MB of memory in use. ENERGY: 1464600 673.4148 1844.3749 2004.6448 112.4192 2.2253 -1120.4726 0.0000 0.0000 2670.6025 6187.2088 294.9755 3516.6063 6220.3894 299.6228 PRESSURE: 1464800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1464800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1464800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1464800 0 0 0 0 0 0 0 0 0 TIMING: 1464800 CPU: 5855.7, 0.00394988/step Wall: 5855.7, 0.00394988/step, 1.13581 hours remaining, 114.367188 MB of memory in use. ENERGY: 1464800 632.1762 1868.5035 1996.3816 108.8811 1.3960 -1095.1320 0.0000 0.0000 2680.8677 6193.0741 296.1093 3512.2064 6225.5086 298.0601 PRESSURE: 1465000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1465000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1465000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1465000 0 0 0 0 0 0 0 0 0 TIMING: 1465000 CPU: 5856.49, 0.00394861/step Wall: 5856.49, 0.00394861/step, 1.13522 hours remaining, 114.367188 MB of memory in use. ENERGY: 1465000 623.1557 1901.3941 1971.8513 110.0262 0.5444 -1085.3083 0.0000 0.0000 2731.8806 6253.5441 301.7438 3521.6635 6288.3102 299.7417 PRESSURE: 1465200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1465200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1465200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1465200 0 0 0 0 0 0 0 0 0 TIMING: 1465200 CPU: 5857.28, 0.00394958/step Wall: 5857.28, 0.00394958/step, 1.13528 hours remaining, 114.367188 MB of memory in use. ENERGY: 1465200 664.7636 1854.6094 1950.1002 98.5487 2.3140 -1077.8883 0.0000 0.0000 2740.5640 6233.0115 302.7029 3492.4475 6266.9244 302.6452 PRESSURE: 1465400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1465400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1465400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1465400 0 0 0 0 0 0 0 0 0 TIMING: 1465400 CPU: 5858.07, 0.0039466/step Wall: 5858.07, 0.0039466/step, 1.13421 hours remaining, 114.367188 MB of memory in use. ENERGY: 1465400 652.8668 1834.8670 1974.0260 100.5253 2.6217 -1073.7452 0.0000 0.0000 2715.7405 6206.9021 299.9611 3491.1616 6241.0273 300.9130 PRESSURE: 1465600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1465600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1465600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1465600 0 0 0 0 0 0 0 0 0 TIMING: 1465600 CPU: 5858.86, 0.00395671/step Wall: 5858.86, 0.00395671/step, 1.13689 hours remaining, 114.367188 MB of memory in use. ENERGY: 1465600 646.8285 1819.7717 1996.4145 110.2442 2.2651 -1074.9336 0.0000 0.0000 2741.1186 6241.7090 302.7642 3500.5904 6276.1288 301.6048 PRESSURE: 1465800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1465800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1465800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1465800 0 0 0 0 0 0 0 0 0 TIMING: 1465800 CPU: 5859.65, 0.00394711/step Wall: 5859.65, 0.00394711/step, 1.13392 hours remaining, 114.367188 MB of memory in use. ENERGY: 1465800 629.2102 1870.0865 1982.0391 105.9892 2.6549 -1056.8307 0.0000 0.0000 2716.6942 6249.8435 300.0664 3533.1493 6284.5568 300.2678 PRESSURE: 1466000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1466000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1466000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1466000 0 0 0 0 0 0 0 0 0 TIMING: 1466000 CPU: 5860.44, 0.00394694/step Wall: 5860.44, 0.00394694/step, 1.13365 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1466000 661.6163 1822.4440 1947.7137 119.1699 1.2446 -1075.5812 0.0000 0.0000 2742.8421 6219.4494 302.9545 3476.6073 6252.0140 299.7602 PRESSURE: 1466200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1466200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1466200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1466200 0 0 0 0 0 0 0 0 0 TIMING: 1466200 CPU: 5861.23, 0.00395096/step Wall: 5861.23, 0.00395096/step, 1.13458 hours remaining, 114.367188 MB of memory in use. ENERGY: 1466200 677.7527 1833.7176 1963.4890 112.2565 0.8531 -1086.7626 0.0000 0.0000 2688.5412 6189.8476 296.9569 3501.3064 6222.1139 299.3790 PRESSURE: 1466400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1466400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1466400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1466400 0 0 0 0 0 0 0 0 0 TIMING: 1466400 CPU: 5862.02, 0.00394604/step Wall: 5862.02, 0.00394604/step, 1.13295 hours remaining, 114.367188 MB of memory in use. ENERGY: 1466400 632.3736 1874.5350 1967.5121 120.1181 0.5651 -1132.1173 0.0000 0.0000 2727.8293 6190.8158 301.2963 3462.9865 6224.8928 298.4179 PRESSURE: 1466600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1466600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1466600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1466600 0 0 0 0 0 0 0 0 0 TIMING: 1466600 CPU: 5862.81, 0.00394948/step Wall: 5862.81, 0.00394948/step, 1.13372 hours remaining, 114.367188 MB of memory in use. ENERGY: 1466600 641.6453 1860.5593 1954.8281 102.9064 1.4029 -1108.2923 0.0000 0.0000 2702.4152 6155.4648 298.4893 3453.0496 6191.4099 296.6627 PRESSURE: 1466800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1466800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1466800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1466800 0 0 0 0 0 0 0 0 0 TIMING: 1466800 CPU: 5863.6, 0.0039872/step Wall: 5863.6, 0.0039872/step, 1.14433 hours remaining, 114.367188 MB of memory in use. ENERGY: 1466800 625.2171 1907.6872 1982.9224 99.2988 -0.1135 -1127.6107 0.0000 0.0000 2658.8715 6146.2726 293.6798 3487.4012 6177.2538 295.6842 PRESSURE: 1467000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1467000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1467000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1467000 0 0 0 0 0 0 0 0 0 TIMING: 1467000 CPU: 5864.4, 0.00396973/step Wall: 5864.4, 0.00396973/step, 1.13909 hours remaining, 114.367188 MB of memory in use. ENERGY: 1467000 644.4844 1836.6087 1948.6729 103.6248 1.2577 -1099.3580 0.0000 0.0000 2713.7146 6149.0050 299.7373 3435.2904 6182.8448 294.9405 PRESSURE: 1467200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1467200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1467200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1467200 0 0 0 0 0 0 0 0 0 TIMING: 1467200 CPU: 5865.19, 0.00395832/step Wall: 5865.19, 0.00395832/step, 1.1356 hours remaining, 114.367188 MB of memory in use. ENERGY: 1467200 648.8984 1810.2578 1963.2614 108.0510 1.5023 -1089.1873 0.0000 0.0000 2723.8422 6166.6259 300.8560 3442.7837 6200.5278 296.4379 PRESSURE: 1467400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1467400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1467400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1467400 0 0 0 0 0 0 0 0 0 TIMING: 1467400 CPU: 5865.98, 0.00395141/step Wall: 5865.98, 0.00395141/step, 1.1334 hours remaining, 114.367188 MB of memory in use. ENERGY: 1467400 652.4000 1831.0315 1959.9272 113.0686 1.3487 -1089.5543 0.0000 0.0000 2719.4118 6187.6337 300.3666 3468.2219 6222.8254 297.9348 PRESSURE: 1467600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1467600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1467600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1467600 0 0 0 0 0 0 0 0 0 TIMING: 1467600 CPU: 5866.77, 0.00395119/step Wall: 5866.77, 0.00395119/step, 1.13311 hours remaining, 114.367188 MB of memory in use. ENERGY: 1467600 649.5887 1830.2618 1984.4629 108.9319 1.2065 -1076.5742 0.0000 0.0000 2673.6222 6171.4999 295.3090 3497.8777 6203.3613 297.9615 PRESSURE: 1467800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1467800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1467800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1467800 0 0 0 0 0 0 0 0 0 TIMING: 1467800 CPU: 5867.56, 0.00395052/step Wall: 5867.56, 0.00395052/step, 1.1327 hours remaining, 114.367188 MB of memory in use. ENERGY: 1467800 638.4166 1907.4838 1969.9600 112.1634 1.2008 -1098.5627 0.0000 0.0000 2703.8041 6234.4659 298.6427 3530.6619 6267.7180 300.9062 PRESSURE: 1468000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1468000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1468000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1468000 0 0 0 0 0 0 0 0 0 TIMING: 1468000 CPU: 5868.35, 0.00395155/step Wall: 5868.35, 0.00395155/step, 1.13278 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1468000 669.9143 1828.6186 1954.5046 105.5259 0.4855 -1090.3647 0.0000 0.0000 2768.8461 6237.5303 305.8268 3468.6842 6271.6909 300.2469 PRESSURE: 1468200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1468200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1468200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1468200 0 0 0 0 0 0 0 0 0 TIMING: 1468200 CPU: 5869.14, 0.00394836/step Wall: 5869.14, 0.00394836/step, 1.13164 hours remaining, 114.367188 MB of memory in use. ENERGY: 1468200 663.6228 1916.8541 1937.7130 106.2498 -0.6793 -1098.2661 0.0000 0.0000 2706.5226 6232.0168 298.9430 3525.4942 6263.8968 299.7749 LDB: ============= START OF LOAD BALANCING ============== 5872.1 LDB: ============== END OF LOAD BALANCING =============== 5872.1 LDB: =============== DONE WITH MIGRATION ================ 5872.1 LDB: ============= START OF LOAD BALANCING ============== 5872.49 LDB: ============== END OF LOAD BALANCING =============== 5872.49 LDB: =============== DONE WITH MIGRATION ================ 5872.49 PRESSURE: 1468400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1468400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1468400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1468400 0 0 0 0 0 0 0 0 0 TIMING: 1468400 CPU: 5869.93, 0.00395584/step Wall: 5869.93, 0.00395584/step, 1.13357 hours remaining, 114.367188 MB of memory in use. ENERGY: 1468400 673.5748 1873.6469 1929.6168 100.1809 0.0022 -1072.9430 0.0000 0.0000 2725.2693 6229.3480 301.0136 3504.0787 6260.0195 300.6096 PRESSURE: 1468600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1468600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1468600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1468600 0 0 0 0 0 0 0 0 0 TIMING: 1468600 CPU: 5870.72, 0.00394977/step Wall: 5870.72, 0.00394977/step, 1.13161 hours remaining, 114.367188 MB of memory in use. ENERGY: 1468600 675.7785 1846.3688 1974.6002 110.6929 2.3553 -1052.0901 0.0000 0.0000 2646.3479 6204.0535 292.2965 3557.7057 6235.9016 298.1689 PRESSURE: 1468800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1468800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1468800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1468800 0 0 0 0 0 0 0 0 0 TIMING: 1468800 CPU: 5871.51, 0.00395092/step Wall: 5871.51, 0.00395092/step, 1.13172 hours remaining, 114.367188 MB of memory in use. ENERGY: 1468800 657.4883 1856.8943 1985.8768 97.8838 0.7486 -1074.8189 0.0000 0.0000 2737.1508 6261.2238 302.3259 3524.0729 6295.8552 300.0023 PRESSURE: 1469000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1469000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1469000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1469000 0 0 0 0 0 0 0 0 0 TIMING: 1469000 CPU: 5872.3, 0.00394991/step Wall: 5872.3, 0.00394991/step, 1.13121 hours remaining, 114.367188 MB of memory in use. ENERGY: 1469000 642.3268 1847.9160 1949.3251 116.7828 0.4673 -1052.2514 0.0000 0.0000 2764.7552 6269.3218 305.3749 3504.5666 6306.2850 303.8027 PRESSURE: 1469200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1469200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1469200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1469200 0 0 0 0 0 0 0 0 0 TIMING: 1469200 CPU: 5873.09, 0.00394662/step Wall: 5873.09, 0.00394662/step, 1.13005 hours remaining, 114.367188 MB of memory in use. ENERGY: 1469200 663.0849 1822.0351 1950.3084 105.8922 0.6513 -1061.1440 0.0000 0.0000 2770.3583 6251.1862 305.9938 3480.8279 6288.3917 302.6719 PRESSURE: 1469400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1469400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1469400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1469400 0 0 0 0 0 0 0 0 0 TIMING: 1469400 CPU: 5873.88, 0.00395032/step Wall: 5873.88, 0.00395032/step, 1.13089 hours remaining, 114.367188 MB of memory in use. ENERGY: 1469400 648.6269 1844.2445 1987.7695 114.5657 0.0417 -1083.6556 0.0000 0.0000 2744.3344 6255.9271 303.1194 3511.5927 6288.3771 302.5198 PRESSURE: 1469600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1469600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1469600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1469600 0 0 0 0 0 0 0 0 0 TIMING: 1469600 CPU: 5874.67, 0.00395146/step Wall: 5874.67, 0.00395146/step, 1.131 hours remaining, 114.367188 MB of memory in use. ENERGY: 1469600 651.8156 1856.0489 1935.8851 108.5131 -0.4217 -1065.6291 0.0000 0.0000 2722.6948 6208.9067 300.7292 3486.2119 6244.7954 301.9013 PRESSURE: 1469800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1469800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1469800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1469800 0 0 0 0 0 0 0 0 0 TIMING: 1469800 CPU: 5875.46, 0.00395002/step Wall: 5875.46, 0.00395002/step, 1.13036 hours remaining, 114.367188 MB of memory in use. ENERGY: 1469800 652.7441 1839.9361 1965.2371 115.5038 0.7560 -1064.3883 0.0000 0.0000 2711.0263 6220.8150 299.4404 3509.7887 6254.0730 299.2942 PRESSURE: 1470000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1470000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1470000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1470000 0 0 0 0 0 0 0 0 0 TIMING: 1470000 CPU: 5876.25, 0.0039508/step Wall: 5876.25, 0.0039508/step, 1.13037 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1470000 650.6362 1863.6432 1980.8762 98.3203 0.4937 -1068.2579 0.0000 0.0000 2691.7815 6217.4932 297.3148 3525.7117 6248.8366 300.5559 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1470000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1470000 WRITING COORDINATES TO RESTART FILE AT STEP 1470000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1470000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1470200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1470200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1470200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1470200 0 0 0 0 0 0 0 0 0 TIMING: 1470200 CPU: 5877.09, 0.00419161/step Wall: 5877.09, 0.00419162/step, 1.19903 hours remaining, 114.367188 MB of memory in use. ENERGY: 1470200 660.0867 1818.4573 1975.5934 108.8761 1.3518 -1048.7694 0.0000 0.0000 2698.6537 6214.2496 298.0738 3515.5960 6246.5920 299.9986 PRESSURE: 1470400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1470400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1470400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1470400 0 0 0 0 0 0 0 0 0 TIMING: 1470400 CPU: 5877.88, 0.00394941/step Wall: 5877.88, 0.00394941/step, 1.12953 hours remaining, 114.367188 MB of memory in use. ENERGY: 1470400 650.2954 1855.5333 1985.6120 107.2059 1.1328 -1084.6438 0.0000 0.0000 2685.3868 6200.5224 296.6085 3515.1356 6232.5929 298.7238 PRESSURE: 1470600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1470600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1470600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1470600 0 0 0 0 0 0 0 0 0 TIMING: 1470600 CPU: 5878.67, 0.00394984/step Wall: 5878.67, 0.00394984/step, 1.12943 hours remaining, 114.367188 MB of memory in use. ENERGY: 1470600 629.3460 1852.3308 1965.1499 101.0816 -0.5581 -1042.9725 0.0000 0.0000 2748.1817 6252.5594 303.5443 3504.3777 6287.9343 299.6021 PRESSURE: 1470800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1470800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1470800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1470800 0 0 0 0 0 0 0 0 0 TIMING: 1470800 CPU: 5879.46, 0.00395169/step Wall: 5879.46, 0.00395169/step, 1.12974 hours remaining, 114.367188 MB of memory in use. ENERGY: 1470800 643.4164 1850.7330 1991.5244 104.6691 0.0177 -1092.2461 0.0000 0.0000 2695.4454 6193.5599 297.7194 3498.1145 6224.5785 300.2542 PRESSURE: 1471000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1471000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1471000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1471000 0 0 0 0 0 0 0 0 0 TIMING: 1471000 CPU: 5880.25, 0.00394712/step Wall: 5880.25, 0.00394712/step, 1.12822 hours remaining, 114.367188 MB of memory in use. ENERGY: 1471000 630.6739 1835.6869 1958.0968 116.1958 2.7199 -1089.3266 0.0000 0.0000 2745.2614 6199.3080 303.2218 3454.0466 6235.0033 299.0001 PRESSURE: 1471200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1471200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1471200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1471200 0 0 0 0 0 0 0 0 0 TIMING: 1471200 CPU: 5881.04, 0.00395198/step Wall: 5881.04, 0.00395198/step, 1.12939 hours remaining, 114.367188 MB of memory in use. ENERGY: 1471200 675.6938 1823.3613 1970.0598 116.1283 1.6588 -1105.3832 0.0000 0.0000 2649.9453 6131.4642 292.6938 3481.5188 6163.3599 296.5532 PRESSURE: 1471400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1471400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1471400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1471400 0 0 0 0 0 0 0 0 0 TIMING: 1471400 CPU: 5881.83, 0.00395158/step Wall: 5881.83, 0.00395158/step, 1.12906 hours remaining, 114.367188 MB of memory in use. ENERGY: 1471400 666.7783 1793.7227 1976.6077 103.7989 1.5691 -1094.9934 0.0000 0.0000 2696.7263 6144.2096 297.8609 3447.4834 6178.0554 296.4142 PRESSURE: 1471600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1471600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1471600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1471600 0 0 0 0 0 0 0 0 0 TIMING: 1471600 CPU: 5882.62, 0.00395113/step Wall: 5882.62, 0.00395113/step, 1.1287 hours remaining, 114.367188 MB of memory in use. ENERGY: 1471600 665.3768 1844.9133 1970.3210 111.4712 1.7488 -1121.6080 0.0000 0.0000 2679.5585 6151.7816 295.9647 3472.2231 6183.0347 297.0258 PRESSURE: 1471800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1471800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1471800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1471800 0 0 0 0 0 0 0 0 0 TIMING: 1471800 CPU: 5883.41, 0.00395053/step Wall: 5883.41, 0.00395053/step, 1.12831 hours remaining, 114.367188 MB of memory in use. ENERGY: 1471800 689.4947 1801.8340 1974.2890 114.3758 0.8473 -1119.2061 0.0000 0.0000 2738.6866 6200.3213 302.4956 3461.6347 6233.8421 297.1294 PRESSURE: 1472000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1472000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1472000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1472000 0 0 0 0 0 0 0 0 0 TIMING: 1472000 CPU: 5884.2, 0.0039465/step Wall: 5884.2, 0.0039465/step, 1.12695 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1472000 692.2103 1816.8289 2017.3359 112.3451 1.9204 -1091.9645 0.0000 0.0000 2717.8294 6266.5055 300.1918 3548.6760 6299.9210 301.2274 PRESSURE: 1472200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1472200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1472200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1472200 0 0 0 0 0 0 0 0 0 TIMING: 1472200 CPU: 5884.99, 0.00395233/step Wall: 5884.99, 0.00395233/step, 1.12839 hours remaining, 114.367188 MB of memory in use. ENERGY: 1472200 648.6641 1851.2227 1971.0388 109.7392 1.3756 -1087.3852 0.0000 0.0000 2790.5705 6285.2257 308.2263 3494.6552 6318.1085 304.4660 LDB: ============= START OF LOAD BALANCING ============== 5887.95 LDB: ============== END OF LOAD BALANCING =============== 5887.95 LDB: =============== DONE WITH MIGRATION ================ 5887.95 LDB: ============= START OF LOAD BALANCING ============== 5888.34 LDB: ============== END OF LOAD BALANCING =============== 5888.34 LDB: =============== DONE WITH MIGRATION ================ 5888.34 PRESSURE: 1472400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1472400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1472400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1472400 0 0 0 0 0 0 0 0 0 TIMING: 1472400 CPU: 5885.78, 0.00395664/step Wall: 5885.78, 0.00395664/step, 1.1294 hours remaining, 114.367188 MB of memory in use. ENERGY: 1472400 647.6488 1873.0145 1976.9388 112.3388 1.4542 -1082.6465 0.0000 0.0000 2748.8413 6277.5900 303.6172 3528.7487 6311.3507 303.7940 PRESSURE: 1472600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1472600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1472600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1472600 0 0 0 0 0 0 0 0 0 TIMING: 1472600 CPU: 5886.57, 0.00395175/step Wall: 5886.57, 0.00395175/step, 1.12778 hours remaining, 114.367188 MB of memory in use. ENERGY: 1472600 672.9046 1889.4983 1980.1171 117.6806 1.1586 -1100.0807 0.0000 0.0000 2695.6889 6256.9674 297.7463 3561.2785 6289.8255 302.2738 PRESSURE: 1472800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1472800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1472800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1472800 0 0 0 0 0 0 0 0 0 TIMING: 1472800 CPU: 5887.36, 0.00395228/step Wall: 5887.36, 0.00395228/step, 1.12772 hours remaining, 114.367188 MB of memory in use. ENERGY: 1472800 661.1898 1841.2659 1985.2954 112.9632 3.7376 -1100.0163 0.0000 0.0000 2746.7269 6251.1624 303.3836 3504.4355 6287.1481 300.9341 PRESSURE: 1473000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1473000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1473000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1473000 0 0 0 0 0 0 0 0 0 TIMING: 1473000 CPU: 5888.15, 0.00394764/step Wall: 5888.15, 0.00394764/step, 1.12618 hours remaining, 114.367188 MB of memory in use. ENERGY: 1473000 663.1470 1860.7845 1971.8190 109.3550 1.8061 -1059.1462 0.0000 0.0000 2727.7606 6275.5259 301.2888 3547.7653 6311.0254 300.2158 PRESSURE: 1473200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1473200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1473200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1473200 0 0 0 0 0 0 0 0 0 TIMING: 1473200 CPU: 5888.94, 0.00395102/step Wall: 5888.94, 0.00395102/step, 1.12692 hours remaining, 114.367188 MB of memory in use. ENERGY: 1473200 632.6403 1838.1983 1973.4510 106.6954 1.2344 -1097.0625 0.0000 0.0000 2702.7082 6157.8652 298.5217 3455.1569 6193.4571 298.6599 PRESSURE: 1473400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1473400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1473400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1473400 0 0 0 0 0 0 0 0 0 TIMING: 1473400 CPU: 5889.73, 0.00395309/step Wall: 5889.73, 0.00395309/step, 1.12729 hours remaining, 114.367188 MB of memory in use. ENERGY: 1473400 657.2756 1818.5755 1969.2395 99.2430 1.0274 -1087.5217 0.0000 0.0000 2676.6651 6134.5043 295.6451 3457.8393 6167.5605 295.4276 PRESSURE: 1473600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1473600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1473600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1473600 0 0 0 0 0 0 0 0 0 TIMING: 1473600 CPU: 5890.52, 0.00395157/step Wall: 5890.52, 0.00395157/step, 1.12664 hours remaining, 114.367188 MB of memory in use. ENERGY: 1473600 638.6238 1822.8842 1971.8973 97.2480 -0.3757 -1067.9291 0.0000 0.0000 2708.6180 6170.9664 299.1744 3462.3484 6204.5087 296.5939 PRESSURE: 1473800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1473800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1473800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1473800 0 0 0 0 0 0 0 0 0 TIMING: 1473800 CPU: 5891.31, 0.00395512/step Wall: 5891.31, 0.00395512/step, 1.12743 hours remaining, 114.367188 MB of memory in use. ENERGY: 1473800 634.3848 1836.3354 1972.7004 109.4437 1.5864 -1035.7334 0.0000 0.0000 2677.8619 6196.5792 295.7773 3518.7173 6230.4069 297.7085 PRESSURE: 1474000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1474000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1474000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1474000 0 0 0 0 0 0 0 0 0 TIMING: 1474000 CPU: 5892.1, 0.00394796/step Wall: 5892.1, 0.00394796/step, 1.12517 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1474000 667.2100 1809.1451 1991.4480 99.0065 0.9840 -1092.7841 0.0000 0.0000 2724.7800 6199.7895 300.9595 3475.0095 6234.2967 298.0864 PRESSURE: 1474200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1474200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1474200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1474200 0 0 0 0 0 0 0 0 0 TIMING: 1474200 CPU: 5892.89, 0.00395154/step Wall: 5892.89, 0.00395154/step, 1.12597 hours remaining, 114.367188 MB of memory in use. ENERGY: 1474200 629.5013 1799.4880 1983.6025 101.3777 0.5379 -1070.8061 0.0000 0.0000 2761.4464 6205.1477 305.0094 3443.7013 6239.0818 297.9007 PRESSURE: 1474400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1474400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1474400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1474400 0 0 0 0 0 0 0 0 0 TIMING: 1474400 CPU: 5893.68, 0.00395292/step Wall: 5893.68, 0.00395292/step, 1.12614 hours remaining, 114.367188 MB of memory in use. ENERGY: 1474400 655.9779 1830.0933 1987.0533 101.3849 -0.0045 -1069.0339 0.0000 0.0000 2711.5835 6217.0544 299.5019 3505.4710 6251.7604 298.9229 PRESSURE: 1474600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1474600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1474600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1474600 0 0 0 0 0 0 0 0 0 TIMING: 1474600 CPU: 5894.47, 0.00395127/step Wall: 5894.47, 0.00395127/step, 1.12545 hours remaining, 114.367188 MB of memory in use. ENERGY: 1474600 640.5348 1789.7871 1948.3334 102.2299 1.1903 -1074.7043 0.0000 0.0000 2750.5695 6157.9407 303.8081 3407.3713 6192.9669 298.5347 PRESSURE: 1474800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1474800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1474800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1474800 0 0 0 0 0 0 0 0 0 TIMING: 1474800 CPU: 5895.26, 0.00394734/step Wall: 5895.26, 0.00394734/step, 1.12411 hours remaining, 114.367188 MB of memory in use. ENERGY: 1474800 624.1803 1883.1978 1977.4765 106.6622 0.8869 -1099.8245 0.0000 0.0000 2674.7534 6167.3326 295.4340 3492.5792 6199.0736 296.0175 PRESSURE: 1475000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1475000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1475000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1475000 0 0 0 0 0 0 0 0 0 TIMING: 1475000 CPU: 5896.05, 0.00395223/step Wall: 5896.05, 0.00395223/step, 1.12529 hours remaining, 114.367188 MB of memory in use. ENERGY: 1475000 648.1394 1845.5304 1995.2664 112.0798 0.1495 -1090.6182 0.0000 0.0000 2671.3515 6181.8989 295.0582 3510.5474 6216.1548 297.8654 PRESSURE: 1475200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1475200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1475200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1475200 0 0 0 0 0 0 0 0 0 TIMING: 1475200 CPU: 5896.84, 0.00395118/step Wall: 5896.84, 0.00395118/step, 1.12477 hours remaining, 114.367188 MB of memory in use. ENERGY: 1475200 617.5293 1812.6874 1959.6679 95.1665 1.3105 -1070.0849 0.0000 0.0000 2699.4831 6115.7599 298.1654 3416.2768 6149.3777 295.6009 PRESSURE: 1475400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1475400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1475400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1475400 0 0 0 0 0 0 0 0 0 TIMING: 1475400 CPU: 5897.63, 0.00395135/step Wall: 5897.63, 0.00395135/step, 1.1246 hours remaining, 114.367188 MB of memory in use. ENERGY: 1475400 651.3392 1813.2222 2001.7421 112.5222 1.0373 -1098.7152 0.0000 0.0000 2663.6961 6144.8437 294.2127 3481.1476 6176.2111 295.6120 PRESSURE: 1475600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1475600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1475600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1475600 0 0 0 0 0 0 0 0 0 TIMING: 1475600 CPU: 5898.43, 0.00396291/step Wall: 5898.43, 0.00396291/step, 1.12767 hours remaining, 114.367188 MB of memory in use. ENERGY: 1475600 633.6688 1820.0992 1997.9722 94.2922 0.8555 -1065.3428 0.0000 0.0000 2698.0668 6179.6119 298.0090 3481.5451 6213.6056 297.3308 PRESSURE: 1475800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1475800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1475800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1475800 0 0 0 0 0 0 0 0 0 TIMING: 1475800 CPU: 5899.22, 0.00394853/step Wall: 5899.22, 0.00394853/step, 1.12336 hours remaining, 114.367188 MB of memory in use. ENERGY: 1475800 639.4807 1811.5219 1998.1130 96.3072 0.6786 -1081.3110 0.0000 0.0000 2701.1402 6165.9305 298.3485 3464.7903 6199.8393 298.8260 PRESSURE: 1476000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1476000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1476000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1476000 0 0 0 0 0 0 0 0 0 TIMING: 1476000 CPU: 5900.01, 0.00395111/step Wall: 5900.01, 0.00395111/step, 1.12387 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1476000 670.5282 1873.4680 1964.5927 116.6248 -0.1669 -1061.8549 0.0000 0.0000 2621.6013 6184.7932 289.5632 3563.1919 6213.3270 298.3058 PRESSURE: 1476200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1476200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1476200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1476200 0 0 0 0 0 0 0 0 0 TIMING: 1476200 CPU: 5900.8, 0.00395142/step Wall: 5900.8, 0.00395142/step, 1.12374 hours remaining, 114.367188 MB of memory in use. ENERGY: 1476200 689.1632 1846.2169 1952.4019 99.8844 1.1433 -1066.2032 0.0000 0.0000 2653.7113 6176.3178 293.1098 3522.6065 6207.6583 296.9534 LDB: ============= START OF LOAD BALANCING ============== 5903.76 LDB: ============== END OF LOAD BALANCING =============== 5903.76 LDB: =============== DONE WITH MIGRATION ================ 5903.76 LDB: ============= START OF LOAD BALANCING ============== 5904.15 LDB: ============== END OF LOAD BALANCING =============== 5904.15 LDB: =============== DONE WITH MIGRATION ================ 5904.15 PRESSURE: 1476400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1476400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1476400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1476400 0 0 0 0 0 0 0 0 0 TIMING: 1476400 CPU: 5901.59, 0.00395556/step Wall: 5901.59, 0.00395556/step, 1.1247 hours remaining, 114.367188 MB of memory in use. ENERGY: 1476400 650.3405 1841.3054 1942.4770 102.0208 1.1813 -1077.7273 0.0000 0.0000 2719.0387 6178.6364 300.3254 3459.5976 6211.8419 296.9940 PRESSURE: 1476600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1476600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1476600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1476600 0 0 0 0 0 0 0 0 0 TIMING: 1476600 CPU: 5902.38, 0.00394901/step Wall: 5902.38, 0.00394901/step, 1.12262 hours remaining, 114.367188 MB of memory in use. ENERGY: 1476600 651.4764 1787.8542 2004.0073 106.0562 0.9148 -1061.5170 0.0000 0.0000 2687.2011 6175.9930 296.8089 3488.7919 6210.1913 296.5279 PRESSURE: 1476800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1476800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1476800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1476800 0 0 0 0 0 0 0 0 0 TIMING: 1476800 CPU: 5903.17, 0.00394779/step Wall: 5903.17, 0.00394779/step, 1.12205 hours remaining, 114.367188 MB of memory in use. ENERGY: 1476800 656.2027 1842.1876 1980.7631 105.4424 0.5622 -1105.8708 0.0000 0.0000 2683.9389 6163.2262 296.4485 3479.2873 6196.3254 296.9627 PRESSURE: 1477000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1477000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1477000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1477000 0 0 0 0 0 0 0 0 0 TIMING: 1477000 CPU: 5903.96, 0.00394872/step Wall: 5903.96, 0.00394872/step, 1.12209 hours remaining, 114.367188 MB of memory in use. ENERGY: 1477000 633.3395 1845.2576 1987.8170 100.3780 1.6018 -1048.4455 0.0000 0.0000 2709.0133 6228.9616 299.2181 3519.9483 6261.8175 297.0503 PRESSURE: 1477200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1477200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1477200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1477200 0 0 0 0 0 0 0 0 0 TIMING: 1477200 CPU: 5904.75, 0.0039508/step Wall: 5904.75, 0.0039508/step, 1.12247 hours remaining, 114.367188 MB of memory in use. ENERGY: 1477200 668.1599 1878.0942 1991.5796 105.8267 1.9084 -1076.6515 0.0000 0.0000 2740.0722 6308.9896 302.6486 3568.9173 6338.3763 301.6253 PRESSURE: 1477400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1477400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1477400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1477400 0 0 0 0 0 0 0 0 0 TIMING: 1477400 CPU: 5905.54, 0.00394853/step Wall: 5905.54, 0.00394853/step, 1.1216 hours remaining, 114.367188 MB of memory in use. ENERGY: 1477400 668.3428 1881.5691 1991.7011 109.3489 0.8874 -1095.3837 0.0000 0.0000 2743.5491 6300.0146 303.0326 3556.4656 6333.0307 304.0464 PRESSURE: 1477600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1477600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1477600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1477600 0 0 0 0 0 0 0 0 0 TIMING: 1477600 CPU: 5906.33, 0.0039497/step Wall: 5906.33, 0.0039497/step, 1.12171 hours remaining, 114.367188 MB of memory in use. ENERGY: 1477600 669.2897 1827.9580 2023.8423 90.9056 0.7584 -1054.0390 0.0000 0.0000 2742.6963 6301.4114 302.9384 3558.7151 6334.2936 305.2893 PRESSURE: 1477800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1477800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1477800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1477800 0 0 0 0 0 0 0 0 0 TIMING: 1477800 CPU: 5907.12, 0.00394739/step Wall: 5907.12, 0.00394739/step, 1.12084 hours remaining, 114.367188 MB of memory in use. ENERGY: 1477800 662.1503 1883.4666 1985.5197 101.3440 0.7056 -1043.7593 0.0000 0.0000 2703.2696 6292.6965 298.5837 3589.4269 6324.0314 303.8776 PRESSURE: 1478000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1478000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1478000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1478000 0 0 0 0 0 0 0 0 0 TIMING: 1478000 CPU: 5907.91, 0.00394948/step Wall: 5907.91, 0.00394947/step, 1.12121 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1478000 625.6701 1846.0611 1997.5366 97.3642 0.5752 -1063.4176 0.0000 0.0000 2813.0299 6316.8195 310.7070 3503.7896 6352.4131 303.5920 PRESSURE: 1478200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1478200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1478200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1478200 0 0 0 0 0 0 0 0 0 TIMING: 1478200 CPU: 5908.7, 0.00394951/step Wall: 5908.7, 0.00394952/step, 1.121 hours remaining, 114.367188 MB of memory in use. ENERGY: 1478200 684.3475 1837.0681 1976.8807 107.7606 0.9733 -1077.3056 0.0000 0.0000 2736.2301 6265.9548 302.2242 3529.7246 6298.9164 303.7357 PRESSURE: 1478400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1478400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1478400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1478400 0 0 0 0 0 0 0 0 0 TIMING: 1478400 CPU: 5909.49, 0.00394975/step Wall: 5909.49, 0.00394975/step, 1.12085 hours remaining, 114.367188 MB of memory in use. ENERGY: 1478400 656.4520 1875.0970 1981.3626 115.3587 0.9004 -1083.0935 0.0000 0.0000 2729.0199 6275.0971 301.4279 3546.0772 6309.6101 302.4715 PRESSURE: 1478600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1478600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1478600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1478600 0 0 0 0 0 0 0 0 0 TIMING: 1478600 CPU: 5910.27, 0.00394561/step Wall: 5910.27, 0.00394561/step, 1.11946 hours remaining, 114.367188 MB of memory in use. ENERGY: 1478600 668.9604 1849.8440 1985.1963 112.2198 0.5829 -1085.9039 0.0000 0.0000 2724.7198 6255.6193 300.9529 3530.8994 6290.3294 301.4519 PRESSURE: 1478800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1478800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1478800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1478800 0 0 0 0 0 0 0 0 0 TIMING: 1478800 CPU: 5911.06, 0.00395105/step Wall: 5911.06, 0.00395105/step, 1.12078 hours remaining, 114.367188 MB of memory in use. ENERGY: 1478800 671.5811 1900.7268 1989.3177 103.3708 0.2168 -1105.1848 0.0000 0.0000 2756.4812 6316.5095 304.4610 3560.0283 6349.9526 302.3529 PRESSURE: 1479000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1479000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1479000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1479000 0 0 0 0 0 0 0 0 0 TIMING: 1479000 CPU: 5911.85, 0.00394848/step Wall: 5911.85, 0.00394848/step, 1.11983 hours remaining, 114.367188 MB of memory in use. ENERGY: 1479000 669.5747 1859.4539 1979.4326 111.8396 1.8879 -1069.4765 0.0000 0.0000 2772.8223 6325.5346 306.2659 3552.7122 6359.5798 305.4278 PRESSURE: 1479200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1479200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1479200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1479200 0 0 0 0 0 0 0 0 0 TIMING: 1479200 CPU: 5912.64, 0.00395075/step Wall: 5912.64, 0.00395075/step, 1.12026 hours remaining, 114.367188 MB of memory in use. ENERGY: 1479200 674.7572 1858.1506 2052.7063 110.6694 2.1218 -1101.9640 0.0000 0.0000 2701.1667 6297.6080 298.3514 3596.4413 6329.0069 303.5072 PRESSURE: 1479400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1479400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1479400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1479400 0 0 0 0 0 0 0 0 0 TIMING: 1479400 CPU: 5913.43, 0.00395048/step Wall: 5913.43, 0.00395048/step, 1.11996 hours remaining, 114.367188 MB of memory in use. ENERGY: 1479400 651.1141 1839.3782 2009.8638 112.0540 0.8791 -1076.5972 0.0000 0.0000 2717.7694 6254.4615 300.1852 3536.6920 6287.1110 301.1078 PRESSURE: 1479600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1479600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1479600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1479600 0 0 0 0 0 0 0 0 0 TIMING: 1479600 CPU: 5914.22, 0.00394778/step Wall: 5914.22, 0.00394778/step, 1.11897 hours remaining, 114.367188 MB of memory in use. ENERGY: 1479600 602.4874 1848.5507 2026.5757 113.7824 0.6828 -1019.4330 0.0000 0.0000 2705.8279 6278.4739 298.8662 3572.6461 6310.5414 301.8261 PRESSURE: 1479800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1479800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1479800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1479800 0 0 0 0 0 0 0 0 0 TIMING: 1479800 CPU: 5915.01, 0.00395053/step Wall: 5915.01, 0.00395053/step, 1.11954 hours remaining, 114.367188 MB of memory in use. ENERGY: 1479800 670.5841 1812.9006 1973.9797 120.2606 0.7195 -1081.8168 0.0000 0.0000 2762.5947 6259.2223 305.1363 3496.6276 6296.5002 302.6962 PRESSURE: 1480000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1480000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1480000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1480000 0 0 0 0 0 0 0 0 0 TIMING: 1480000 CPU: 5915.8, 0.003951/step Wall: 5915.8, 0.003951/step, 1.11945 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1480000 640.3797 1871.1332 2012.0617 111.6053 0.4200 -1065.7476 0.0000 0.0000 2728.6711 6298.5234 301.3893 3569.8523 6331.8884 302.6055 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1480000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1480000 WRITING COORDINATES TO RESTART FILE AT STEP 1480000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1480000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1480200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1480200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1480200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1480200 0 0 0 0 0 0 0 0 0 TIMING: 1480200 CPU: 5916.63, 0.00413544/step Wall: 5916.63, 0.00413544/step, 1.17148 hours remaining, 114.367188 MB of memory in use. ENERGY: 1480200 656.1991 1847.8272 2013.7806 110.4573 1.6602 -1052.3508 0.0000 0.0000 2770.5671 6348.1407 306.0169 3577.5735 6380.7428 305.1076 LDB: ============= START OF LOAD BALANCING ============== 5919.59 LDB: ============== END OF LOAD BALANCING =============== 5919.59 LDB: =============== DONE WITH MIGRATION ================ 5919.59 LDB: ============= START OF LOAD BALANCING ============== 5919.99 LDB: ============== END OF LOAD BALANCING =============== 5919.99 LDB: =============== DONE WITH MIGRATION ================ 5919.99 PRESSURE: 1480400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1480400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1480400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1480400 0 0 0 0 0 0 0 0 0 TIMING: 1480400 CPU: 5917.42, 0.00395606/step Wall: 5917.42, 0.00395606/step, 1.12044 hours remaining, 114.367188 MB of memory in use. ENERGY: 1480400 669.4869 1886.7292 2032.0180 115.1920 0.9267 -1088.1493 0.0000 0.0000 2757.1556 6373.3592 304.5355 3616.2036 6405.3277 308.0222 PRESSURE: 1480600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1480600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1480600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1480600 0 0 0 0 0 0 0 0 0 TIMING: 1480600 CPU: 5918.21, 0.00394863/step Wall: 5918.21, 0.00394863/step, 1.11812 hours remaining, 114.367188 MB of memory in use. ENERGY: 1480600 677.5085 1909.9625 1983.8627 117.0326 1.0349 -1106.9947 0.0000 0.0000 2801.4659 6383.8723 309.4297 3582.4065 6417.9608 307.2421 PRESSURE: 1480800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1480800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1480800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1480800 0 0 0 0 0 0 0 0 0 TIMING: 1480800 CPU: 5919, 0.0039509/step Wall: 5919, 0.0039509/step, 1.11854 hours remaining, 114.367188 MB of memory in use. ENERGY: 1480800 697.2276 1841.0565 1998.1470 113.9210 1.4162 -1075.2851 0.0000 0.0000 2825.8677 6402.3509 312.1250 3576.4832 6440.1844 309.2775 PRESSURE: 1481000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1481000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1481000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1481000 0 0 0 0 0 0 0 0 0 TIMING: 1481000 CPU: 5919.79, 0.00395061/step Wall: 5919.79, 0.00395061/step, 1.11824 hours remaining, 114.367188 MB of memory in use. ENERGY: 1481000 660.2225 1805.0688 2005.1162 124.7259 1.3885 -1047.9626 0.0000 0.0000 2789.6706 6338.2299 308.1269 3548.5593 6372.4329 308.1318 PRESSURE: 1481200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1481200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1481200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1481200 0 0 0 0 0 0 0 0 0 TIMING: 1481200 CPU: 5920.58, 0.00395046/step Wall: 5920.58, 0.00395046/step, 1.11798 hours remaining, 114.367188 MB of memory in use. ENERGY: 1481200 626.3018 1933.3277 1994.0713 109.2262 1.4606 -1076.3840 0.0000 0.0000 2720.4495 6308.4530 300.4812 3588.0036 6340.1400 304.5587 PRESSURE: 1481400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1481400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1481400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1481400 0 0 0 0 0 0 0 0 0 TIMING: 1481400 CPU: 5921.37, 0.00395108/step Wall: 5921.37, 0.00395108/step, 1.11794 hours remaining, 114.367188 MB of memory in use. ENERGY: 1481400 684.0732 1890.0364 1992.1303 105.2857 1.1113 -1133.6984 0.0000 0.0000 2776.5644 6315.5029 306.6793 3538.9385 6349.4325 306.4208 PRESSURE: 1481600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1481600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1481600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1481600 0 0 0 0 0 0 0 0 0 TIMING: 1481600 CPU: 5922.16, 0.00394601/step Wall: 5922.16, 0.00394601/step, 1.11628 hours remaining, 114.367188 MB of memory in use. ENERGY: 1481600 656.8068 1855.3372 2004.7801 104.5235 1.7680 -1098.7331 0.0000 0.0000 2753.7978 6278.2803 304.1646 3524.4825 6313.5670 304.6578 PRESSURE: 1481800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1481800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1481800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1481800 0 0 0 0 0 0 0 0 0 TIMING: 1481800 CPU: 5922.95, 0.00395047/step Wall: 5922.95, 0.00395047/step, 1.11733 hours remaining, 114.367188 MB of memory in use. ENERGY: 1481800 657.6391 1861.7251 1980.0345 101.6803 0.8926 -1125.8200 0.0000 0.0000 2753.2581 6229.4099 304.1050 3476.1518 6266.4084 300.5037 PRESSURE: 1482000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1482000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1482000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1482000 0 0 0 0 0 0 0 0 0 TIMING: 1482000 CPU: 5923.75, 0.00396205/step Wall: 5923.75, 0.00396205/step, 1.12038 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1482000 646.3752 1859.1156 2002.7408 97.4265 2.1305 -1101.9082 0.0000 0.0000 2729.5269 6235.4072 301.4839 3505.8803 6269.3579 301.0621 PRESSURE: 1482200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1482200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1482200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1482200 0 0 0 0 0 0 0 0 0 TIMING: 1482200 CPU: 5924.54, 0.00395526/step Wall: 5924.54, 0.00395526/step, 1.11824 hours remaining, 114.367188 MB of memory in use. ENERGY: 1482200 644.2128 1866.8180 1994.5963 101.3319 1.5870 -1121.3304 0.0000 0.0000 2701.2353 6188.4510 298.3590 3487.2156 6219.3837 299.2023 PRESSURE: 1482400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1482400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1482400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1482400 0 0 0 0 0 0 0 0 0 TIMING: 1482400 CPU: 5925.33, 0.00395227/step Wall: 5925.33, 0.00395227/step, 1.11717 hours remaining, 114.367188 MB of memory in use. ENERGY: 1482400 658.6312 1822.0492 1989.3675 103.5641 0.1820 -1122.9355 0.0000 0.0000 2691.4834 6142.3419 297.2818 3450.8585 6178.4270 297.6708 PRESSURE: 1482600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1482600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1482600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1482600 0 0 0 0 0 0 0 0 0 TIMING: 1482600 CPU: 5926.12, 0.003951/step Wall: 5926.12, 0.003951/step, 1.1166 hours remaining, 114.367188 MB of memory in use. ENERGY: 1482600 658.7483 1819.3883 1967.5317 106.3408 1.1906 -1116.0738 0.0000 0.0000 2677.8236 6114.9494 295.7731 3437.1258 6147.4407 295.9610 PRESSURE: 1482800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1482800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1482800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1482800 0 0 0 0 0 0 0 0 0 TIMING: 1482800 CPU: 5926.91, 0.00394974/step Wall: 5926.91, 0.00394974/step, 1.11602 hours remaining, 114.367188 MB of memory in use. ENERGY: 1482800 676.3600 1824.7955 1995.0677 100.8903 -0.3328 -1116.6881 0.0000 0.0000 2709.0822 6189.1748 299.2257 3480.0926 6222.3168 296.1696 PRESSURE: 1483000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1483000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1483000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1483000 0 0 0 0 0 0 0 0 0 TIMING: 1483000 CPU: 5927.7, 0.00395208/step Wall: 5927.7, 0.00395208/step, 1.11646 hours remaining, 114.367188 MB of memory in use. ENERGY: 1483000 635.8721 1859.7373 2001.5448 109.1349 1.0244 -1084.9340 0.0000 0.0000 2612.1537 6134.5332 288.5196 3522.3796 6163.8156 296.5596 PRESSURE: 1483200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1483200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1483200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1483200 0 0 0 0 0 0 0 0 0 TIMING: 1483200 CPU: 5928.49, 0.00394997/step Wall: 5928.49, 0.00394997/step, 1.11565 hours remaining, 114.367188 MB of memory in use. ENERGY: 1483200 656.6770 1828.7337 1992.9654 111.5141 1.3697 -1105.0912 0.0000 0.0000 2698.0584 6184.2269 298.0081 3486.1685 6215.6623 295.6067 PRESSURE: 1483400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1483400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1483400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1483400 0 0 0 0 0 0 0 0 0 TIMING: 1483400 CPU: 5929.28, 0.00394757/step Wall: 5929.28, 0.00394756/step, 1.11475 hours remaining, 114.367188 MB of memory in use. ENERGY: 1483400 631.9463 1853.8781 1969.1941 103.4460 0.0903 -1077.1525 0.0000 0.0000 2733.4085 6214.8108 301.9126 3481.4023 6246.2163 299.4903 PRESSURE: 1483600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1483600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1483600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1483600 0 0 0 0 0 0 0 0 0 TIMING: 1483600 CPU: 5930.07, 0.00394976/step Wall: 5930.07, 0.00394976/step, 1.11515 hours remaining, 114.367188 MB of memory in use. ENERGY: 1483600 641.6060 1830.4562 1997.0586 116.8564 1.8117 -1089.9826 0.0000 0.0000 2689.3893 6187.1957 297.0505 3497.8064 6220.8238 299.1058 PRESSURE: 1483800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1483800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1483800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1483800 0 0 0 0 0 0 0 0 0 TIMING: 1483800 CPU: 5930.86, 0.00394808/step Wall: 5930.86, 0.00394808/step, 1.11445 hours remaining, 114.367188 MB of memory in use. ENERGY: 1483800 623.4268 1841.0767 1976.3297 107.5988 1.5644 -1084.0175 0.0000 0.0000 2730.6129 6196.5918 301.6038 3465.9789 6229.4769 297.5998 PRESSURE: 1484000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1484000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1484000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1484000 0 0 0 0 0 0 0 0 0 TIMING: 1484000 CPU: 5931.65, 0.00395085/step Wall: 5931.65, 0.00395085/step, 1.11502 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1484000 686.5683 1824.0799 1990.9931 110.4377 0.8796 -1084.3738 0.0000 0.0000 2711.8865 6240.4712 299.5354 3528.5848 6272.8062 300.5068 PRESSURE: 1484200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1484200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1484200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1484200 0 0 0 0 0 0 0 0 0 TIMING: 1484200 CPU: 5932.44, 0.00395059/step Wall: 5932.44, 0.00395059/step, 1.11472 hours remaining, 114.367188 MB of memory in use. ENERGY: 1484200 691.8273 1807.1249 1957.1196 111.4315 1.1116 -1088.5296 0.0000 0.0000 2731.5935 6211.6788 301.7121 3480.0853 6244.1808 300.7563 LDB: ============= START OF LOAD BALANCING ============== 5935.4 LDB: ============== END OF LOAD BALANCING =============== 5935.4 LDB: =============== DONE WITH MIGRATION ================ 5935.4 LDB: ============= START OF LOAD BALANCING ============== 5935.79 LDB: ============== END OF LOAD BALANCING =============== 5935.79 LDB: =============== DONE WITH MIGRATION ================ 5935.79 PRESSURE: 1484400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1484400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1484400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1484400 0 0 0 0 0 0 0 0 0 TIMING: 1484400 CPU: 5933.23, 0.00395118/step Wall: 5933.23, 0.00395118/step, 1.11467 hours remaining, 114.367188 MB of memory in use. ENERGY: 1484400 652.5019 1834.3368 1969.2937 116.5936 1.2086 -1069.7352 0.0000 0.0000 2776.4163 6280.6158 306.6629 3504.1995 6312.4788 301.1533 PRESSURE: 1484600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1484600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1484600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1484600 0 0 0 0 0 0 0 0 0 TIMING: 1484600 CPU: 5934.02, 0.00394838/step Wall: 5934.02, 0.00394838/step, 1.11366 hours remaining, 114.367188 MB of memory in use. ENERGY: 1484600 691.3398 1831.2969 1959.5012 103.1443 1.2886 -1052.7536 0.0000 0.0000 2753.4230 6287.2401 304.1232 3533.8172 6320.0441 302.1406 PRESSURE: 1484800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1484800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1484800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1484800 0 0 0 0 0 0 0 0 0 TIMING: 1484800 CPU: 5934.81, 0.00394786/step Wall: 5934.81, 0.00394786/step, 1.1133 hours remaining, 114.367188 MB of memory in use. ENERGY: 1484800 657.8406 1835.8888 1965.3870 108.5473 1.3913 -1082.6293 0.0000 0.0000 2730.2950 6216.7207 301.5687 3486.4257 6249.7277 301.0358 PRESSURE: 1485000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1485000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1485000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1485000 0 0 0 0 0 0 0 0 0 TIMING: 1485000 CPU: 5935.6, 0.00395015/step Wall: 5935.6, 0.00395015/step, 1.11372 hours remaining, 114.367188 MB of memory in use. ENERGY: 1485000 667.2123 1783.8572 2007.5433 105.7929 1.2461 -1099.9039 0.0000 0.0000 2726.3835 6192.1314 301.1367 3465.7479 6226.1927 297.2111 PRESSURE: 1485200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1485200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1485200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1485200 0 0 0 0 0 0 0 0 0 TIMING: 1485200 CPU: 5936.39, 0.00394786/step Wall: 5936.39, 0.00394785/step, 1.11285 hours remaining, 114.367188 MB of memory in use. ENERGY: 1485200 627.5679 1884.6535 1978.5816 101.0994 0.8177 -1095.8061 0.0000 0.0000 2705.9073 6202.8214 298.8750 3496.9141 6236.4068 297.6366 PRESSURE: 1485400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1485400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1485400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1485400 0 0 0 0 0 0 0 0 0 TIMING: 1485400 CPU: 5937.17, 0.00394652/step Wall: 5937.17, 0.00394653/step, 1.11226 hours remaining, 114.367188 MB of memory in use. ENERGY: 1485400 661.3149 1825.1445 2002.9455 112.4181 0.9588 -1087.5494 0.0000 0.0000 2706.8372 6222.0697 298.9777 3515.2325 6255.6027 298.8395 PRESSURE: 1485600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1485600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1485600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1485600 0 0 0 0 0 0 0 0 0 TIMING: 1485600 CPU: 5937.96, 0.00394875/step Wall: 5937.96, 0.00394875/step, 1.11267 hours remaining, 114.367188 MB of memory in use. ENERGY: 1485600 651.5917 1841.8278 1986.7518 114.0081 1.7766 -1069.0514 0.0000 0.0000 2685.5374 6212.4420 296.6251 3526.9045 6244.4623 300.9568 PRESSURE: 1485800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1485800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1485800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1485800 0 0 0 0 0 0 0 0 0 TIMING: 1485800 CPU: 5938.76, 0.00395692/step Wall: 5938.76, 0.00395692/step, 1.11475 hours remaining, 114.367188 MB of memory in use. ENERGY: 1485800 672.6886 1786.0287 1972.8187 104.8611 1.6796 -1097.1630 0.0000 0.0000 2747.1566 6188.0703 303.4311 3440.9136 6221.0958 298.4894 PRESSURE: 1486000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1486000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1486000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1486000 0 0 0 0 0 0 0 0 0 TIMING: 1486000 CPU: 5939.55, 0.00394815/step Wall: 5939.55, 0.00394815/step, 1.11206 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1486000 642.9587 1873.1415 1969.8324 125.0698 2.1823 -1088.4954 0.0000 0.0000 2697.4069 6222.0961 297.9361 3524.6892 6253.6405 297.8922 PRESSURE: 1486200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1486200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1486200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1486200 0 0 0 0 0 0 0 0 0 TIMING: 1486200 CPU: 5940.33, 0.00394587/step Wall: 5940.33, 0.00394587/step, 1.1112 hours remaining, 114.367188 MB of memory in use. ENERGY: 1486200 646.1853 1820.1147 1988.7974 104.5375 2.8947 -1090.7359 0.0000 0.0000 2741.8282 6213.6219 302.8426 3471.7937 6248.4630 298.5836 PRESSURE: 1486400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1486400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1486400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1486400 0 0 0 0 0 0 0 0 0 TIMING: 1486400 CPU: 5941.12, 0.00394922/step Wall: 5941.12, 0.00394922/step, 1.11192 hours remaining, 114.367188 MB of memory in use. ENERGY: 1486400 632.7762 1893.7261 2005.6138 117.1126 2.6198 -1090.3407 0.0000 0.0000 2679.5783 6241.0859 295.9669 3561.5076 6272.6381 301.1362 PRESSURE: 1486600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1486600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1486600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1486600 0 0 0 0 0 0 0 0 0 TIMING: 1486600 CPU: 5941.91, 0.00394716/step Wall: 5941.91, 0.00394716/step, 1.11112 hours remaining, 114.367188 MB of memory in use. ENERGY: 1486600 632.9872 1871.6673 1985.5593 120.0268 1.7666 -1109.3454 0.0000 0.0000 2727.6267 6230.2886 301.2740 3502.6619 6265.1802 302.0537 PRESSURE: 1486800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1486800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1486800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1486800 0 0 0 0 0 0 0 0 0 TIMING: 1486800 CPU: 5942.7, 0.00394608/step Wall: 5942.7, 0.00394608/step, 1.1106 hours remaining, 114.367188 MB of memory in use. ENERGY: 1486800 643.1945 1824.0591 1976.0563 104.2468 2.3323 -1067.3891 0.0000 0.0000 2750.4393 6232.9392 303.7937 3482.5000 6268.7495 301.7803 PRESSURE: 1487000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1487000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1487000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1487000 0 0 0 0 0 0 0 0 0 TIMING: 1487000 CPU: 5943.49, 0.00394774/step Wall: 5943.49, 0.00394774/step, 1.11085 hours remaining, 114.367188 MB of memory in use. ENERGY: 1487000 673.5760 1851.1614 1976.9836 130.6424 1.4556 -1099.1099 0.0000 0.0000 2699.5344 6234.2435 298.1711 3534.7091 6266.6478 300.1888 PRESSURE: 1487200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1487200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1487200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1487200 0 0 0 0 0 0 0 0 0 TIMING: 1487200 CPU: 5944.28, 0.00394556/step Wall: 5944.28, 0.00394556/step, 1.11002 hours remaining, 114.367188 MB of memory in use. ENERGY: 1487200 661.8254 1807.2438 1992.3785 117.6185 2.2835 -1088.3919 0.0000 0.0000 2743.4424 6236.4001 303.0209 3492.9577 6270.2422 300.6195 PRESSURE: 1487400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1487400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1487400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1487400 0 0 0 0 0 0 0 0 0 TIMING: 1487400 CPU: 5945.07, 0.00394703/step Wall: 5945.07, 0.00394703/step, 1.11021 hours remaining, 114.367188 MB of memory in use. ENERGY: 1487400 633.7182 1889.0941 1985.0944 115.7028 2.9172 -1089.5285 0.0000 0.0000 2661.5945 6198.5927 293.9805 3536.9981 6231.7715 299.4557 PRESSURE: 1487600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1487600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1487600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1487600 0 0 0 0 0 0 0 0 0 TIMING: 1487600 CPU: 5945.86, 0.00394614/step Wall: 5945.86, 0.00394614/step, 1.10974 hours remaining, 114.367188 MB of memory in use. ENERGY: 1487600 651.1963 1844.9406 1977.0457 115.8690 2.9002 -1106.8327 0.0000 0.0000 2692.0600 6177.1791 297.3455 3485.1191 6209.7851 297.5925 PRESSURE: 1487800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1487800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1487800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1487800 0 0 0 0 0 0 0 0 0 TIMING: 1487800 CPU: 5946.65, 0.00394562/step Wall: 5946.65, 0.00394562/step, 1.10938 hours remaining, 114.367188 MB of memory in use. ENERGY: 1487800 661.9609 1879.9594 1955.5964 100.6627 1.2893 -1099.1569 0.0000 0.0000 2657.2424 6157.5541 293.4998 3500.3117 6188.4506 296.9020 PRESSURE: 1488000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1488000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1488000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1488000 0 0 0 0 0 0 0 0 0 TIMING: 1488000 CPU: 5947.44, 0.00394714/step Wall: 5947.44, 0.00394714/step, 1.10958 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1488000 630.6374 1816.8829 1993.5212 106.4862 2.7525 -1098.8079 0.0000 0.0000 2706.9554 6158.4278 298.9908 3451.4724 6192.8567 295.4904 PRESSURE: 1488200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1488200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1488200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1488200 0 0 0 0 0 0 0 0 0 TIMING: 1488200 CPU: 5948.23, 0.00394508/step Wall: 5948.23, 0.00394508/step, 1.10879 hours remaining, 114.367188 MB of memory in use. ENERGY: 1488200 629.6127 1850.5213 2016.3190 107.8416 1.8126 -1095.7059 0.0000 0.0000 2626.8033 6137.2045 290.1377 3510.4012 6171.3027 294.9965 LDB: ============= START OF LOAD BALANCING ============== 5951.19 LDB: ============== END OF LOAD BALANCING =============== 5951.19 LDB: =============== DONE WITH MIGRATION ================ 5951.19 LDB: ============= START OF LOAD BALANCING ============== 5951.58 LDB: ============== END OF LOAD BALANCING =============== 5951.58 LDB: =============== DONE WITH MIGRATION ================ 5951.58 PRESSURE: 1488400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1488400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1488400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1488400 0 0 0 0 0 0 0 0 0 TIMING: 1488400 CPU: 5949.02, 0.00395144/step Wall: 5949.02, 0.00395144/step, 1.11035 hours remaining, 114.367188 MB of memory in use. ENERGY: 1488400 642.1219 1873.1717 1956.3112 106.5706 2.7283 -1099.1580 0.0000 0.0000 2681.2366 6162.9823 296.1500 3481.7457 6196.3993 295.4793 PRESSURE: 1488600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1488600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1488600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1488600 0 0 0 0 0 0 0 0 0 TIMING: 1488600 CPU: 5949.81, 0.00394698/step Wall: 5949.81, 0.00394698/step, 1.10888 hours remaining, 114.367188 MB of memory in use. ENERGY: 1488600 653.1957 1855.1482 1938.7362 95.2843 1.7070 -1071.0618 0.0000 0.0000 2711.6152 6184.6247 299.5055 3473.0095 6218.7816 297.6002 PRESSURE: 1488800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1488800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1488800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1488800 0 0 0 0 0 0 0 0 0 TIMING: 1488800 CPU: 5950.6, 0.00394646/step Wall: 5950.6, 0.00394646/step, 1.10852 hours remaining, 114.367188 MB of memory in use. ENERGY: 1488800 679.6313 1877.2870 1972.2201 108.0767 1.8078 -1143.2204 0.0000 0.0000 2703.0988 6198.9012 298.5648 3495.8024 6231.6064 297.0170 PRESSURE: 1489000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1489000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1489000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1489000 0 0 0 0 0 0 0 0 0 TIMING: 1489000 CPU: 5951.39, 0.00394786/step Wall: 5951.39, 0.00394786/step, 1.10869 hours remaining, 114.367188 MB of memory in use. ENERGY: 1489000 658.6381 1859.5487 1959.0764 100.1233 2.4709 -1105.5887 0.0000 0.0000 2666.4693 6140.7379 294.5190 3474.2686 6176.1168 297.8420 PRESSURE: 1489200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1489200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1489200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1489200 0 0 0 0 0 0 0 0 0 TIMING: 1489200 CPU: 5952.18, 0.00394596/step Wall: 5952.18, 0.00394596/step, 1.10794 hours remaining, 114.367188 MB of memory in use. ENERGY: 1489200 688.4327 1845.9512 1962.8730 111.2492 2.6716 -1126.1636 0.0000 0.0000 2753.8215 6238.8357 304.1673 3485.0142 6272.4899 298.2531 PRESSURE: 1489400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1489400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1489400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1489400 0 0 0 0 0 0 0 0 0 TIMING: 1489400 CPU: 5952.97, 0.00394589/step Wall: 5952.97, 0.00394588/step, 1.1077 hours remaining, 114.367188 MB of memory in use. ENERGY: 1489400 654.3532 1849.8767 1967.9712 111.3950 0.9210 -1067.2530 0.0000 0.0000 2700.1413 6217.4053 298.2381 3517.2641 6251.0618 299.6330 PRESSURE: 1489600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1489600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1489600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1489600 0 0 0 0 0 0 0 0 0 TIMING: 1489600 CPU: 5953.75, 0.00394827/step Wall: 5953.75, 0.00394827/step, 1.10815 hours remaining, 114.367188 MB of memory in use. ENERGY: 1489600 670.5433 1836.8107 1985.8353 96.9303 2.3122 -1085.9279 0.0000 0.0000 2729.5791 6236.0830 301.4896 3506.5039 6268.7150 300.2704 PRESSURE: 1489800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1489800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1489800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1489800 0 0 0 0 0 0 0 0 0 TIMING: 1489800 CPU: 5954.54, 0.00394781/step Wall: 5954.54, 0.00394781/step, 1.1078 hours remaining, 114.367188 MB of memory in use. ENERGY: 1489800 658.1986 1853.6740 1989.3367 107.4332 0.8424 -1103.7770 0.0000 0.0000 2678.0985 6183.8065 295.8034 3505.7080 6214.9584 300.8105 PRESSURE: 1490000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1490000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1490000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1490000 0 0 0 0 0 0 0 0 0 TIMING: 1490000 CPU: 5955.33, 0.00394718/step Wall: 5955.33, 0.00394718/step, 1.1074 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1490000 620.8525 1867.0170 1982.0026 107.1910 0.4848 -1058.9080 0.0000 0.0000 2697.2348 6215.8746 297.9171 3518.6398 6248.9756 298.3812 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1490000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1490000 WRITING COORDINATES TO RESTART FILE AT STEP 1490000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1490000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1490200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1490200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1490200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1490200 0 0 0 0 0 0 0 0 0 TIMING: 1490200 CPU: 5956.18, 0.00422296/step Wall: 5956.18, 0.00422296/step, 1.18454 hours remaining, 114.367188 MB of memory in use. ENERGY: 1490200 645.4436 1873.0477 1986.2411 110.3395 0.6620 -1069.0544 0.0000 0.0000 2677.4957 6224.1752 295.7369 3546.6794 6254.6355 298.8613 PRESSURE: 1490400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1490400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1490400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1490400 0 0 0 0 0 0 0 0 0 TIMING: 1490400 CPU: 5956.97, 0.00394669/step Wall: 5956.97, 0.00394669/step, 1.10683 hours remaining, 114.367188 MB of memory in use. ENERGY: 1490400 643.6014 1823.1129 1994.2008 104.9103 0.0933 -1095.8219 0.0000 0.0000 2755.5892 6225.6860 304.3625 3470.0968 6257.6867 299.7268 PRESSURE: 1490600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1490600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1490600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1490600 0 0 0 0 0 0 0 0 0 TIMING: 1490600 CPU: 5957.76, 0.00394764/step Wall: 5957.76, 0.00394764/step, 1.10687 hours remaining, 114.367188 MB of memory in use. ENERGY: 1490600 673.5607 1874.7491 1972.8865 109.9698 0.3017 -1089.9799 0.0000 0.0000 2763.6330 6305.1208 305.2510 3541.4878 6339.3932 302.3215 PRESSURE: 1490800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1490800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1490800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1490800 0 0 0 0 0 0 0 0 0 TIMING: 1490800 CPU: 5958.55, 0.00394702/step Wall: 5958.55, 0.00394702/step, 1.10648 hours remaining, 114.367188 MB of memory in use. ENERGY: 1490800 665.5185 1914.6288 1996.9769 116.7301 2.1415 -1089.9055 0.0000 0.0000 2710.2414 6316.3316 299.3537 3606.0902 6348.0737 305.1553 PRESSURE: 1491000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1491000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1491000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1491000 0 0 0 0 0 0 0 0 0 TIMING: 1491000 CPU: 5959.34, 0.00394654/step Wall: 5959.34, 0.00394654/step, 1.10613 hours remaining, 114.367188 MB of memory in use. ENERGY: 1491000 641.1822 1844.2361 1998.0260 99.0212 0.7669 -1079.9530 0.0000 0.0000 2719.1605 6222.4399 300.3388 3503.2794 6255.9937 302.5581 PRESSURE: 1491200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1491200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1491200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1491200 0 0 0 0 0 0 0 0 0 TIMING: 1491200 CPU: 5960.13, 0.00394681/step Wall: 5960.13, 0.00394681/step, 1.10599 hours remaining, 114.367188 MB of memory in use. ENERGY: 1491200 637.2353 1832.1399 1988.3246 108.0176 0.9933 -1103.9598 0.0000 0.0000 2736.6516 6199.4024 302.2708 3462.7509 6237.1468 298.5970 PRESSURE: 1491400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1491400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1491400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1491400 0 0 0 0 0 0 0 0 0 TIMING: 1491400 CPU: 5960.91, 0.00394787/step Wall: 5960.91, 0.00394787/step, 1.10606 hours remaining, 114.367188 MB of memory in use. ENERGY: 1491400 644.9892 1808.2168 2038.9394 107.8436 0.8400 -1074.0501 0.0000 0.0000 2692.8342 6219.6132 297.4310 3526.7790 6253.4989 298.5000 PRESSURE: 1491600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1491600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1491600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1491600 0 0 0 0 0 0 0 0 0 TIMING: 1491600 CPU: 5961.7, 0.00395037/step Wall: 5961.7, 0.00395037/step, 1.10654 hours remaining, 114.367188 MB of memory in use. ENERGY: 1491600 649.6205 1824.4465 1973.6821 118.7750 0.2840 -1118.3313 0.0000 0.0000 2719.9693 6168.4460 300.4282 3448.4768 6201.9510 297.3444 PRESSURE: 1491800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1491800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1491800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1491800 0 0 0 0 0 0 0 0 0 TIMING: 1491800 CPU: 5962.49, 0.00394951/step Wall: 5962.49, 0.00394951/step, 1.10608 hours remaining, 114.367188 MB of memory in use. ENERGY: 1491800 662.0799 1808.0670 1971.7744 105.0034 1.2903 -1089.8362 0.0000 0.0000 2705.5218 6163.9006 298.8324 3458.3788 6196.5642 296.5599 PRESSURE: 1492000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1492000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1492000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1492000 0 0 0 0 0 0 0 0 0 TIMING: 1492000 CPU: 5963.28, 0.00394692/step Wall: 5963.28, 0.00394692/step, 1.10514 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1492000 649.1107 1803.4802 1974.1968 116.5153 1.9056 -1111.4223 0.0000 0.0000 2716.1564 6149.9427 300.0070 3433.7863 6179.4838 298.2022 PRESSURE: 1492200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1492200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1492200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1492200 0 0 0 0 0 0 0 0 0 TIMING: 1492200 CPU: 5964.07, 0.0039489/step Wall: 5964.07, 0.0039489/step, 1.10547 hours remaining, 114.367188 MB of memory in use. ENERGY: 1492200 653.0286 1849.0132 1997.8795 107.2327 1.9639 -1109.1837 0.0000 0.0000 2638.7043 6138.6385 291.4522 3499.9343 6169.6631 296.2743 LDB: ============= START OF LOAD BALANCING ============== 5967.04 LDB: ============== END OF LOAD BALANCING =============== 5967.04 LDB: =============== DONE WITH MIGRATION ================ 5967.04 LDB: ============= START OF LOAD BALANCING ============== 5967.43 LDB: ============== END OF LOAD BALANCING =============== 5967.43 LDB: =============== DONE WITH MIGRATION ================ 5967.43 PRESSURE: 1492400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1492400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1492400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1492400 0 0 0 0 0 0 0 0 0 TIMING: 1492400 CPU: 5964.87, 0.00396064/step Wall: 5964.87, 0.00396064/step, 1.10854 hours remaining, 114.367188 MB of memory in use. ENERGY: 1492400 634.1098 1852.3427 1969.2959 101.7669 2.3489 -1099.1343 0.0000 0.0000 2759.6966 6220.4264 304.8162 3460.7298 6254.7370 299.2293 PRESSURE: 1492600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1492600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1492600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1492600 0 0 0 0 0 0 0 0 0 TIMING: 1492600 CPU: 5965.66, 0.00395006/step Wall: 5965.66, 0.00395006/step, 1.10536 hours remaining, 114.367188 MB of memory in use. ENERGY: 1492600 662.5402 1821.3837 2000.4172 120.3057 1.6028 -1076.5042 0.0000 0.0000 2713.3492 6243.0945 299.6970 3529.7453 6275.7894 301.0231 PRESSURE: 1492800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1492800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1492800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1492800 0 0 0 0 0 0 0 0 0 TIMING: 1492800 CPU: 5966.45, 0.00394958/step Wall: 5966.45, 0.00394958/step, 1.105 hours remaining, 114.367188 MB of memory in use. ENERGY: 1492800 658.4206 1874.5669 1960.6001 98.7883 0.4915 -1062.4716 0.0000 0.0000 2709.8794 6240.2751 299.3137 3530.3957 6272.9542 298.9704 PRESSURE: 1493000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1493000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1493000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1493000 0 0 0 0 0 0 0 0 0 TIMING: 1493000 CPU: 5967.24, 0.00394695/step Wall: 5967.24, 0.00394695/step, 1.10405 hours remaining, 114.367188 MB of memory in use. ENERGY: 1493000 638.7400 1875.9388 1984.8998 112.1967 -0.7120 -1085.4285 0.0000 0.0000 2743.8737 6269.5085 303.0685 3525.6348 6302.0257 300.6526 PRESSURE: 1493200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1493200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1493200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1493200 0 0 0 0 0 0 0 0 0 TIMING: 1493200 CPU: 5968.03, 0.00394836/step Wall: 5968.03, 0.00394836/step, 1.10422 hours remaining, 114.367188 MB of memory in use. ENERGY: 1493200 664.6923 1838.2759 2001.9409 104.1717 0.6011 -1104.8959 0.0000 0.0000 2792.9378 6297.7240 308.4878 3504.7861 6337.2704 301.6549 PRESSURE: 1493400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1493400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1493400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1493400 0 0 0 0 0 0 0 0 0 TIMING: 1493400 CPU: 5968.81, 0.00394887/step Wall: 5968.81, 0.00394887/step, 1.10415 hours remaining, 114.367188 MB of memory in use. ENERGY: 1493400 657.9869 1876.3498 1998.8938 116.5939 0.6338 -1062.6353 0.0000 0.0000 2677.5450 6265.3678 295.7423 3587.8228 6298.3407 301.8219 PRESSURE: 1493600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1493600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1493600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1493600 0 0 0 0 0 0 0 0 0 TIMING: 1493600 CPU: 5969.6, 0.00394961/step Wall: 5969.6, 0.00394961/step, 1.10414 hours remaining, 114.367188 MB of memory in use. ENERGY: 1493600 680.0739 1850.9644 2004.8176 115.5768 0.6266 -1109.2821 0.0000 0.0000 2692.4644 6235.2416 297.3902 3542.7773 6264.9192 300.9290 PRESSURE: 1493800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1493800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1493800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1493800 0 0 0 0 0 0 0 0 0 TIMING: 1493800 CPU: 5970.39, 0.00394543/step Wall: 5970.39, 0.00394543/step, 1.10275 hours remaining, 114.367188 MB of memory in use. ENERGY: 1493800 622.0842 1885.6085 2008.3516 111.2454 0.1545 -1073.6782 0.0000 0.0000 2699.1923 6252.9583 298.1333 3553.7660 6286.4243 300.1808 PRESSURE: 1494000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1494000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1494000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1494000 0 0 0 0 0 0 0 0 0 TIMING: 1494000 CPU: 5971.18, 0.003949/step Wall: 5971.18, 0.003949/step, 1.10353 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1494000 652.3871 1851.1527 1985.7015 112.1368 0.7421 -1049.8214 0.0000 0.0000 2697.7294 6250.0282 297.9717 3552.2988 6283.4504 299.7575 PRESSURE: 1494200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1494200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1494200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1494200 0 0 0 0 0 0 0 0 0 TIMING: 1494200 CPU: 5971.97, 0.00394828/step Wall: 5971.97, 0.00394828/step, 1.10311 hours remaining, 114.367188 MB of memory in use. ENERGY: 1494200 666.0957 1862.5568 1969.3953 108.5629 0.4679 -1094.1662 0.0000 0.0000 2751.9593 6264.8717 303.9616 3512.9124 6299.4837 302.6441 PRESSURE: 1494400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1494400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1494400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1494400 0 0 0 0 0 0 0 0 0 TIMING: 1494400 CPU: 5972.76, 0.00394884/step Wall: 5972.76, 0.00394884/step, 1.10304 hours remaining, 114.367188 MB of memory in use. ENERGY: 1494400 642.4397 1846.0658 2001.0366 117.0619 0.4442 -1098.2693 0.0000 0.0000 2777.5128 6286.2917 306.7840 3508.7789 6324.5932 302.7295 PRESSURE: 1494600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1494600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1494600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1494600 0 0 0 0 0 0 0 0 0 TIMING: 1494600 CPU: 5973.55, 0.003948/step Wall: 5973.55, 0.003948/step, 1.10259 hours remaining, 114.367188 MB of memory in use. ENERGY: 1494600 641.2354 1825.1475 1997.9940 123.1190 -0.4020 -1092.6518 0.0000 0.0000 2781.7579 6276.1998 307.2529 3494.4420 6310.4410 303.5911 PRESSURE: 1494800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1494800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1494800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1494800 0 0 0 0 0 0 0 0 0 TIMING: 1494800 CPU: 5974.34, 0.00394582/step Wall: 5974.34, 0.00394582/step, 1.10176 hours remaining, 114.367188 MB of memory in use. ENERGY: 1494800 676.3922 1827.9811 2000.8250 106.3815 0.9512 -1126.0136 0.0000 0.0000 2781.8219 6268.3393 307.2600 3486.5175 6302.6597 303.5413 PRESSURE: 1495000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1495000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1495000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1495000 0 0 0 0 0 0 0 0 0 TIMING: 1495000 CPU: 5975.13, 0.00395018/step Wall: 5975.13, 0.00395018/step, 1.10276 hours remaining, 114.367188 MB of memory in use. ENERGY: 1495000 652.1682 1889.9791 1987.3038 110.3273 1.7686 -1074.8501 0.0000 0.0000 2652.1623 6218.8591 292.9387 3566.6968 6249.4174 300.9190 PRESSURE: 1495200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1495200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1495200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1495200 0 0 0 0 0 0 0 0 0 TIMING: 1495200 CPU: 5975.92, 0.00394897/step Wall: 5975.92, 0.00394897/step, 1.1022 hours remaining, 114.367188 MB of memory in use. ENERGY: 1495200 652.5750 1798.1459 1977.4464 101.9125 0.7393 -1061.6931 0.0000 0.0000 2790.1777 6259.3037 308.1829 3469.1260 6292.6165 299.9610 PRESSURE: 1495400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1495400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1495400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1495400 0 0 0 0 0 0 0 0 0 TIMING: 1495400 CPU: 5976.71, 0.00394856/step Wall: 5976.71, 0.00394856/step, 1.10187 hours remaining, 114.367188 MB of memory in use. ENERGY: 1495400 666.4365 1856.9219 1993.6649 117.2348 1.3897 -1087.2997 0.0000 0.0000 2726.0472 6274.3953 301.0995 3548.3481 6307.8369 302.2916 PRESSURE: 1495600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1495600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1495600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1495600 0 0 0 0 0 0 0 0 0 TIMING: 1495600 CPU: 5977.5, 0.00394917/step Wall: 5977.5, 0.00394917/step, 1.10182 hours remaining, 114.367188 MB of memory in use. ENERGY: 1495600 635.8856 1916.8112 1985.5150 122.2994 0.9874 -1084.4301 0.0000 0.0000 2705.5363 6282.6049 298.8340 3577.0686 6311.7023 302.3249 PRESSURE: 1495800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1495800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1495800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1495800 0 0 0 0 0 0 0 0 0 TIMING: 1495800 CPU: 5978.29, 0.00394472/step Wall: 5978.29, 0.00394472/step, 1.10036 hours remaining, 114.367188 MB of memory in use. ENERGY: 1495800 619.1391 1872.4964 1981.4842 114.3069 -1.0264 -1100.3334 0.0000 0.0000 2788.0146 6274.0813 307.9440 3486.0667 6302.7097 301.0700 PRESSURE: 1496000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1496000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1496000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1496000 0 0 0 0 0 0 0 0 0 TIMING: 1496000 CPU: 5979.08, 0.0039511/step Wall: 5979.08, 0.0039511/step, 1.10192 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1496000 664.6865 1875.1867 1993.6815 121.2196 -0.0400 -1094.9032 0.0000 0.0000 2720.9033 6280.7344 300.5314 3559.8311 6314.8863 303.0388 PRESSURE: 1496200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1496200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1496200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1496200 0 0 0 0 0 0 0 0 0 TIMING: 1496200 CPU: 5979.87, 0.00394967/step Wall: 5979.87, 0.00394967/step, 1.1013 hours remaining, 114.367188 MB of memory in use. ENERGY: 1496200 654.1697 1840.3684 1988.0510 100.3582 1.2368 -1108.1960 0.0000 0.0000 2758.3613 6234.3493 304.6687 3475.9880 6268.7893 300.9228 LDB: ============= START OF LOAD BALANCING ============== 5982.83 LDB: ============== END OF LOAD BALANCING =============== 5982.83 LDB: =============== DONE WITH MIGRATION ================ 5982.83 LDB: ============= START OF LOAD BALANCING ============== 5983.22 LDB: ============== END OF LOAD BALANCING =============== 5983.22 LDB: =============== DONE WITH MIGRATION ================ 5983.23 PRESSURE: 1496400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1496400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1496400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1496400 0 0 0 0 0 0 0 0 0 TIMING: 1496400 CPU: 5980.66, 0.00395195/step Wall: 5980.66, 0.00395195/step, 1.10172 hours remaining, 114.367188 MB of memory in use. ENERGY: 1496400 624.6797 1844.0529 1980.8921 123.3175 0.2306 -1129.7496 0.0000 0.0000 2768.0003 6211.4234 305.7333 3443.4231 6246.2108 299.5154 PRESSURE: 1496600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1496600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1496600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1496600 0 0 0 0 0 0 0 0 0 TIMING: 1496600 CPU: 5981.45, 0.00394393/step Wall: 5981.45, 0.00394393/step, 1.09926 hours remaining, 114.367188 MB of memory in use. ENERGY: 1496600 657.6268 1859.7386 1983.8527 111.4028 0.5156 -1093.6289 0.0000 0.0000 2690.8945 6210.4023 297.2168 3519.5078 6242.8535 298.2281 PRESSURE: 1496800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1496800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1496800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1496800 0 0 0 0 0 0 0 0 0 TIMING: 1496800 CPU: 5982.24, 0.00394806/step Wall: 5982.24, 0.00394806/step, 1.10019 hours remaining, 114.367188 MB of memory in use. ENERGY: 1496800 660.5312 1847.2204 2004.8433 112.8306 0.6337 -1081.0635 0.0000 0.0000 2681.1654 6226.1610 296.1422 3544.9956 6255.8085 299.3260 PRESSURE: 1497000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1497000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1497000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1497000 0 0 0 0 0 0 0 0 0 TIMING: 1497000 CPU: 5983.03, 0.00395024/step Wall: 5983.03, 0.00395025/step, 1.10058 hours remaining, 114.367188 MB of memory in use. ENERGY: 1497000 679.0754 1885.1931 1995.7036 106.9563 0.8281 -1086.2642 0.0000 0.0000 2707.5694 6289.0618 299.0586 3581.4924 6318.9970 302.8063 PRESSURE: 1497200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1497200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1497200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1497200 0 0 0 0 0 0 0 0 0 TIMING: 1497200 CPU: 5983.82, 0.0039622/step Wall: 5983.82, 0.0039622/step, 1.10369 hours remaining, 114.367188 MB of memory in use. ENERGY: 1497200 653.6589 1842.6234 1999.8614 112.7276 0.3030 -1069.3793 0.0000 0.0000 2734.0227 6273.8177 301.9804 3539.7950 6309.6318 302.7435 PRESSURE: 1497400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1497400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1497400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1497400 0 0 0 0 0 0 0 0 0 TIMING: 1497400 CPU: 5984.61, 0.00395415/step Wall: 5984.61, 0.00395415/step, 1.10123 hours remaining, 114.367188 MB of memory in use. ENERGY: 1497400 646.9059 1867.8474 2001.2995 108.5098 -0.3379 -1068.3082 0.0000 0.0000 2718.5611 6274.4776 300.2726 3555.9165 6306.2808 302.2009 PRESSURE: 1497600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1497600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1497600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1497600 0 0 0 0 0 0 0 0 0 TIMING: 1497600 CPU: 5985.4, 0.00394929/step Wall: 5985.4, 0.00394929/step, 1.09966 hours remaining, 114.367188 MB of memory in use. ENERGY: 1497600 644.8081 1856.4889 1989.6561 109.2479 -0.2679 -1083.9717 0.0000 0.0000 2779.2799 6295.2413 306.9792 3515.9613 6328.8601 301.1492 PRESSURE: 1497800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1497800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1497800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1497800 0 0 0 0 0 0 0 0 0 TIMING: 1497800 CPU: 5986.19, 0.00395203/step Wall: 5986.19, 0.00395203/step, 1.1002 hours remaining, 114.367188 MB of memory in use. ENERGY: 1497800 664.0772 1876.3112 1999.2685 116.8241 -0.1759 -1085.4757 0.0000 0.0000 2744.4068 6315.2362 303.1274 3570.8294 6347.6745 304.6102 PRESSURE: 1498000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1498000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1498000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1498000 0 0 0 0 0 0 0 0 0 TIMING: 1498000 CPU: 5986.98, 0.00394986/step Wall: 5986.98, 0.00394986/step, 1.09938 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1498000 630.0600 1895.6805 1981.0965 109.9457 0.4763 -1069.0799 0.0000 0.0000 2785.8395 6334.0186 307.7037 3548.1792 6367.6505 303.7180 PRESSURE: 1498200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1498200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1498200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1498200 0 0 0 0 0 0 0 0 0 TIMING: 1498200 CPU: 5987.77, 0.00395015/step Wall: 5987.77, 0.00395015/step, 1.09924 hours remaining, 114.367188 MB of memory in use. ENERGY: 1498200 660.0349 1897.3487 1978.6517 106.8075 -1.3967 -1088.0039 0.0000 0.0000 2758.7872 6312.2294 304.7157 3553.4421 6346.4807 305.5209 PRESSURE: 1498400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1498400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1498400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1498400 0 0 0 0 0 0 0 0 0 TIMING: 1498400 CPU: 5988.56, 0.00394948/step Wall: 5988.56, 0.00394948/step, 1.09883 hours remaining, 114.367188 MB of memory in use. ENERGY: 1498400 673.8924 1881.6796 2005.0231 120.2599 0.5436 -1082.9780 0.0000 0.0000 2737.2057 6335.6264 302.3320 3598.4207 6368.4155 304.2676 PRESSURE: 1498600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1498600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1498600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1498600 0 0 0 0 0 0 0 0 0 TIMING: 1498600 CPU: 5989.35, 0.00394596/step Wall: 5989.35, 0.00394596/step, 1.09763 hours remaining, 114.367188 MB of memory in use. ENERGY: 1498600 656.7307 1868.8992 2010.4409 116.7874 -0.0140 -1085.3165 0.0000 0.0000 2781.9034 6349.4311 307.2690 3567.5277 6384.2145 307.2188 PRESSURE: 1498800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1498800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1498800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1498800 0 0 0 0 0 0 0 0 0 TIMING: 1498800 CPU: 5990.14, 0.00395028/step Wall: 5990.14, 0.00395028/step, 1.09862 hours remaining, 114.367188 MB of memory in use. ENERGY: 1498800 692.7765 1884.9969 1964.2536 111.8804 1.4445 -1101.1920 0.0000 0.0000 2814.1613 6368.3213 310.8320 3554.1600 6402.1990 308.0435 PRESSURE: 1499000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1499000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1499000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1499000 0 0 0 0 0 0 0 0 0 TIMING: 1499000 CPU: 5990.93, 0.00395019/step Wall: 5990.93, 0.00395019/step, 1.09837 hours remaining, 114.367188 MB of memory in use. ENERGY: 1499000 681.9876 1863.6547 1999.3015 105.0371 -0.6124 -1088.2912 0.0000 0.0000 2784.4239 6345.5011 307.5474 3561.0773 6381.4290 306.3402 PRESSURE: 1499200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1499200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1499200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1499200 0 0 0 0 0 0 0 0 0 TIMING: 1499200 CPU: 5991.72, 0.00395102/step Wall: 5991.72, 0.00395102/step, 1.09838 hours remaining, 114.367188 MB of memory in use. ENERGY: 1499200 703.2928 1881.8088 2010.3894 107.5701 -0.3178 -1113.5591 0.0000 0.0000 2800.5342 6389.7185 309.3268 3589.1842 6422.9082 306.8394 PRESSURE: 1499400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1499400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1499400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1499400 0 0 0 0 0 0 0 0 0 TIMING: 1499400 CPU: 5992.51, 0.00394989/step Wall: 5992.51, 0.0039499/step, 1.09785 hours remaining, 114.367188 MB of memory in use. ENERGY: 1499400 646.0357 1912.8965 1993.9858 108.1881 -0.9244 -1079.6713 0.0000 0.0000 2762.9610 6343.4713 305.1767 3580.5104 6379.6132 308.0738 PRESSURE: 1499600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1499600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1499600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1499600 0 0 0 0 0 0 0 0 0 TIMING: 1499600 CPU: 5993.3, 0.00394575/step Wall: 5993.3, 0.00394575/step, 1.09648 hours remaining, 114.367188 MB of memory in use. ENERGY: 1499600 686.8926 1899.9253 2001.0927 106.9124 -0.5391 -1108.3928 0.0000 0.0000 2765.5979 6351.4889 305.4680 3585.8910 6387.0497 307.7239 PRESSURE: 1499800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1499800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1499800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1499800 0 0 0 0 0 0 0 0 0 TIMING: 1499800 CPU: 5994.09, 0.00395142/step Wall: 5994.09, 0.00395142/step, 1.09784 hours remaining, 114.367188 MB of memory in use. ENERGY: 1499800 709.3393 1922.5751 1977.5066 113.9388 1.0205 -1076.5651 0.0000 0.0000 2690.7676 6338.5828 297.2028 3647.8152 6369.5598 306.0363 PRESSURE: 1500000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1500000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1500000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1500000 0 0 0 0 0 0 0 0 0 TIMING: 1500000 CPU: 5994.88, 0.0039519/step Wall: 5994.88, 0.0039519/step, 1.09775 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1500000 679.8657 1891.6208 1956.0417 113.8670 1.0503 -1095.2039 0.0000 0.0000 2761.2939 6308.5356 304.9926 3547.2417 6342.1583 306.1816 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1500200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1500200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1500200 0 0 0 0 0 0 0 0 0 TIMING: 1500200 CPU: 5995.71, 0.00414444/step Wall: 5995.71, 0.00414444/step, 1.151 hours remaining, 114.367188 MB of memory in use. ENERGY: 1500200 657.8224 1848.5834 1984.4692 111.7114 0.5129 -1077.8712 0.0000 0.0000 2761.4750 6286.7030 305.0126 3525.2280 6318.9963 303.6179 LDB: ============= START OF LOAD BALANCING ============== 5998.67 LDB: ============== END OF LOAD BALANCING =============== 5998.67 LDB: =============== DONE WITH MIGRATION ================ 5998.67 LDB: ============= START OF LOAD BALANCING ============== 5999.07 LDB: ============== END OF LOAD BALANCING =============== 5999.07 LDB: =============== DONE WITH MIGRATION ================ 5999.07 PRESSURE: 1500400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1500400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1500400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1500400 0 0 0 0 0 0 0 0 0 TIMING: 1500400 CPU: 5996.5, 0.00395617/step Wall: 5996.5, 0.00395617/step, 1.0985 hours remaining, 114.367188 MB of memory in use. ENERGY: 1500400 666.3770 1857.0097 1958.5640 108.1105 1.2956 -1093.2898 0.0000 0.0000 2781.0852 6279.1522 307.1786 3498.0670 6317.3792 303.2735 PRESSURE: 1500600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1500600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1500600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1500600 0 0 0 0 0 0 0 0 0 TIMING: 1500600 CPU: 5997.29, 0.00394621/step Wall: 5997.29, 0.00394621/step, 1.09551 hours remaining, 114.367188 MB of memory in use. ENERGY: 1500600 672.2709 1824.7196 1978.9754 97.2855 1.6184 -1060.1456 0.0000 0.0000 2794.4204 6309.1446 308.6515 3514.7242 6344.3218 302.7194 PRESSURE: 1500800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1500800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1500800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1500800 0 0 0 0 0 0 0 0 0 TIMING: 1500800 CPU: 5998.08, 0.0039504/step Wall: 5998.08, 0.0039504/step, 1.09645 hours remaining, 114.367188 MB of memory in use. ENERGY: 1500800 639.9929 1882.1795 1982.9056 108.8962 0.5037 -1047.4634 0.0000 0.0000 2700.6716 6267.6862 298.2967 3567.0145 6296.5679 303.6006 PRESSURE: 1501000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1501000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1501000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1501000 0 0 0 0 0 0 0 0 0 TIMING: 1501000 CPU: 5998.87, 0.00395057/step Wall: 5998.87, 0.00395057/step, 1.09628 hours remaining, 114.367188 MB of memory in use. ENERGY: 1501000 650.8865 1864.9136 1944.1238 117.9494 0.1712 -1077.4721 0.0000 0.0000 2752.1413 6252.7136 303.9817 3500.5724 6284.8393 301.0483 PRESSURE: 1501200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1501200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1501200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1501200 0 0 0 0 0 0 0 0 0 TIMING: 1501200 CPU: 5999.66, 0.0039512/step Wall: 5999.66, 0.0039512/step, 1.09624 hours remaining, 114.367188 MB of memory in use. ENERGY: 1501200 653.4112 1848.3664 1958.8737 104.6784 -1.2932 -1062.9844 0.0000 0.0000 2684.9828 6186.0350 296.5638 3501.0522 6217.2494 298.9998 PRESSURE: 1501400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1501400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1501400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1501400 0 0 0 0 0 0 0 0 0 TIMING: 1501400 CPU: 6000.45, 0.00394541/step Wall: 6000.45, 0.00394541/step, 1.09441 hours remaining, 114.367188 MB of memory in use. ENERGY: 1501400 650.5611 1836.8791 1956.6226 112.2728 -0.1223 -1088.0378 0.0000 0.0000 2729.9018 6198.0774 301.5253 3468.1756 6234.4241 297.3811 PRESSURE: 1501600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1501600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1501600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1501600 0 0 0 0 0 0 0 0 0 TIMING: 1501600 CPU: 6001.24, 0.00395/step Wall: 6001.24, 0.00395/step, 1.09547 hours remaining, 114.367188 MB of memory in use. ENERGY: 1501600 633.8493 1838.3859 1977.9067 111.6399 -0.5604 -1087.9177 0.0000 0.0000 2746.8610 6220.1648 303.3984 3473.3038 6256.0791 298.6636 PRESSURE: 1501800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1501800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1501800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1501800 0 0 0 0 0 0 0 0 0 TIMING: 1501800 CPU: 6002.03, 0.00394849/step Wall: 6002.03, 0.00394849/step, 1.09483 hours remaining, 114.367188 MB of memory in use. ENERGY: 1501800 653.2975 1837.9240 1960.1466 111.3277 -0.5381 -1091.6308 0.0000 0.0000 2662.3012 6132.8282 294.0586 3470.5269 6163.3107 297.4173 PRESSURE: 1502000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1502000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1502000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1502000 0 0 0 0 0 0 0 0 0 TIMING: 1502000 CPU: 6002.82, 0.00394866/step Wall: 6002.82, 0.00394866/step, 1.09466 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1502000 650.2943 1792.6146 1947.9213 121.6264 0.7832 -1103.7485 0.0000 0.0000 2660.7502 6070.2415 293.8873 3409.4912 6107.1548 293.8283 PRESSURE: 1502200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1502200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1502200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1502200 0 0 0 0 0 0 0 0 0 TIMING: 1502200 CPU: 6003.61, 0.00394905/step Wall: 6003.61, 0.00394905/step, 1.09454 hours remaining, 114.367188 MB of memory in use. ENERGY: 1502200 624.7782 1823.4173 1940.6365 116.3759 0.0084 -1100.0892 0.0000 0.0000 2711.9812 6117.1084 299.5459 3405.1272 6151.2134 293.6317 PRESSURE: 1502400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1502400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1502400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1502400 0 0 0 0 0 0 0 0 0 TIMING: 1502400 CPU: 6004.4, 0.00394546/step Wall: 6004.4, 0.00394546/step, 1.09333 hours remaining, 114.367188 MB of memory in use. ENERGY: 1502400 643.6868 1813.1050 1950.6261 118.4902 -0.3141 -1087.8684 0.0000 0.0000 2689.1347 6126.8603 297.0224 3437.7256 6160.3514 294.6046 PRESSURE: 1502600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1502600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1502600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1502600 0 0 0 0 0 0 0 0 0 TIMING: 1502600 CPU: 6005.19, 0.00394973/step Wall: 6005.19, 0.00394973/step, 1.09429 hours remaining, 114.367188 MB of memory in use. ENERGY: 1502600 675.7672 1821.2950 1966.0538 104.9735 0.4707 -1083.2398 0.0000 0.0000 2720.0198 6205.3401 300.4338 3485.3203 6238.5613 295.8298 PRESSURE: 1502800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1502800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1502800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1502800 0 0 0 0 0 0 0 0 0 TIMING: 1502800 CPU: 6005.98, 0.00394839/step Wall: 6005.98, 0.00394839/step, 1.0937 hours remaining, 114.367188 MB of memory in use. ENERGY: 1502800 663.2396 1841.7532 1947.8262 108.3032 0.0727 -1076.0973 0.0000 0.0000 2707.8158 6192.9135 299.0858 3485.0976 6225.0908 299.9669 PRESSURE: 1503000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1503000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1503000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1503000 0 0 0 0 0 0 0 0 0 TIMING: 1503000 CPU: 6006.77, 0.0039484/step Wall: 6006.77, 0.0039484/step, 1.09349 hours remaining, 114.367188 MB of memory in use. ENERGY: 1503000 662.6268 1874.6896 1997.3079 110.6558 1.2945 -1105.1134 0.0000 0.0000 2680.7736 6222.2348 296.0989 3541.4612 6254.1319 300.8904 PRESSURE: 1503200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1503200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1503200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1503200 0 0 0 0 0 0 0 0 0 TIMING: 1503200 CPU: 6007.56, 0.00395147/step Wall: 6007.56, 0.00395147/step, 1.09412 hours remaining, 114.367188 MB of memory in use. ENERGY: 1503200 662.1313 1869.2089 1968.4606 108.9902 -0.0583 -1088.7783 0.0000 0.0000 2736.7913 6256.7458 302.2862 3519.9545 6289.9434 303.0254 PRESSURE: 1503400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1503400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1503400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1503400 0 0 0 0 0 0 0 0 0 TIMING: 1503400 CPU: 6008.35, 0.00394639/step Wall: 6008.35, 0.00394639/step, 1.09249 hours remaining, 114.367188 MB of memory in use. ENERGY: 1503400 633.6246 1878.3083 1976.7924 96.3288 -0.2062 -1063.8565 0.0000 0.0000 2728.6464 6249.6379 301.3866 3520.9914 6283.2152 302.5644 PRESSURE: 1503600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1503600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1503600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1503600 0 0 0 0 0 0 0 0 0 TIMING: 1503600 CPU: 6009.14, 0.00395154/step Wall: 6009.14, 0.00395154/step, 1.0937 hours remaining, 114.367188 MB of memory in use. ENERGY: 1503600 620.7739 1866.3699 1937.7740 112.6280 0.2963 -1091.8043 0.0000 0.0000 2761.6273 6207.6651 305.0294 3446.0378 6242.3570 300.8970 PRESSURE: 1503800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1503800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1503800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1503800 0 0 0 0 0 0 0 0 0 TIMING: 1503800 CPU: 6009.93, 0.0039485/step Wall: 6009.93, 0.0039485/step, 1.09264 hours remaining, 114.367188 MB of memory in use. ENERGY: 1503800 635.5496 1866.4067 1967.8287 112.6576 0.3774 -1109.7506 0.0000 0.0000 2728.5852 6201.6547 301.3798 3473.0695 6232.3623 299.5303 PRESSURE: 1504000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1504000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1504000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1504000 0 0 0 0 0 0 0 0 0 TIMING: 1504000 CPU: 6010.72, 0.00395079/step Wall: 6010.72, 0.00395079/step, 1.09305 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1504000 663.9846 1826.9314 1973.3507 112.8368 0.7049 -1099.5944 0.0000 0.0000 2740.0544 6218.2684 302.6466 3478.2140 6251.7198 300.8683 PRESSURE: 1504200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1504200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1504200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1504200 0 0 0 0 0 0 0 0 0 TIMING: 1504200 CPU: 6011.51, 0.00394729/step Wall: 6011.51, 0.00394729/step, 1.09187 hours remaining, 114.367188 MB of memory in use. ENERGY: 1504200 647.7719 1834.8729 1964.9201 113.5796 0.3017 -1089.2821 0.0000 0.0000 2666.2251 6138.3892 294.4920 3472.1641 6171.1725 298.1543 LDB: ============= START OF LOAD BALANCING ============== 6014.47 LDB: ============== END OF LOAD BALANCING =============== 6014.47 LDB: =============== DONE WITH MIGRATION ================ 6014.47 LDB: ============= START OF LOAD BALANCING ============== 6014.86 LDB: ============== END OF LOAD BALANCING =============== 6014.86 LDB: =============== DONE WITH MIGRATION ================ 6014.86 PRESSURE: 1504400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1504400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1504400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1504400 0 0 0 0 0 0 0 0 0 TIMING: 1504400 CPU: 6012.3, 0.00395324/step Wall: 6012.3, 0.00395324/step, 1.09329 hours remaining, 114.367188 MB of memory in use. ENERGY: 1504400 690.1564 1806.3517 1950.8932 122.9293 1.0906 -1064.1008 0.0000 0.0000 2697.7382 6205.0586 297.9727 3507.3204 6233.8715 298.0827 PRESSURE: 1504600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1504600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1504600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1504600 0 0 0 0 0 0 0 0 0 TIMING: 1504600 CPU: 6013.09, 0.0039503/step Wall: 6013.09, 0.0039503/step, 1.09226 hours remaining, 114.367188 MB of memory in use. ENERGY: 1504600 648.7514 1853.2650 1964.5325 103.1048 1.3359 -1061.6825 0.0000 0.0000 2694.7828 6204.0899 297.6463 3509.3071 6236.3971 298.5171 PRESSURE: 1504800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1504800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1504800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1504800 0 0 0 0 0 0 0 0 0 TIMING: 1504800 CPU: 6013.88, 0.00394926/step Wall: 6013.88, 0.00394926/step, 1.09175 hours remaining, 114.367188 MB of memory in use. ENERGY: 1504800 638.7692 1880.0839 1975.8768 97.8477 2.2625 -1076.5085 0.0000 0.0000 2655.9861 6174.3179 293.3611 3518.3317 6206.6176 297.9640 PRESSURE: 1505000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1505000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1505000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1505000 0 0 0 0 0 0 0 0 0 TIMING: 1505000 CPU: 6014.67, 0.00394956/step Wall: 6014.67, 0.00394956/step, 1.09161 hours remaining, 114.367188 MB of memory in use. ENERGY: 1505000 682.7856 1810.0700 1972.6389 107.3099 0.9115 -1124.9538 0.0000 0.0000 2713.4342 6162.1964 299.7064 3448.7621 6195.7311 298.4665 PRESSURE: 1505200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1505200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1505200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1505200 0 0 0 0 0 0 0 0 0 TIMING: 1505200 CPU: 6015.46, 0.00394641/step Wall: 6015.46, 0.00394641/step, 1.09052 hours remaining, 114.367188 MB of memory in use. ENERGY: 1505200 649.8673 1898.5093 1967.5392 114.7177 0.8211 -1118.9110 0.0000 0.0000 2668.3226 6180.8662 294.7237 3512.5436 6212.8164 298.5740 PRESSURE: 1505400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1505400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1505400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1505400 0 0 0 0 0 0 0 0 0 TIMING: 1505400 CPU: 6016.25, 0.00395181/step Wall: 6016.25, 0.00395181/step, 1.0918 hours remaining, 114.367188 MB of memory in use. ENERGY: 1505400 658.9537 1808.4288 1929.2710 110.5820 -0.0816 -1079.1209 0.0000 0.0000 2712.4355 6140.4685 299.5961 3428.0330 6173.3565 298.0003 PRESSURE: 1505600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1505600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1505600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1505600 0 0 0 0 0 0 0 0 0 TIMING: 1505600 CPU: 6017.04, 0.00394962/step Wall: 6017.04, 0.00394962/step, 1.09097 hours remaining, 114.367188 MB of memory in use. ENERGY: 1505600 680.0224 1808.8934 1983.5673 101.7467 0.8013 -1117.8180 0.0000 0.0000 2654.4244 6111.6374 293.1886 3457.2130 6143.6344 296.8273 PRESSURE: 1505800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1505800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1505800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1505800 0 0 0 0 0 0 0 0 0 TIMING: 1505800 CPU: 6017.83, 0.00394946/step Wall: 6017.83, 0.00394946/step, 1.09071 hours remaining, 114.367188 MB of memory in use. ENERGY: 1505800 631.1318 1847.4435 1966.7256 96.3502 1.0163 -1066.4396 0.0000 0.0000 2704.7706 6180.9984 298.7494 3476.2278 6215.0393 295.9128 PRESSURE: 1506000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1506000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1506000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1506000 0 0 0 0 0 0 0 0 0 TIMING: 1506000 CPU: 6018.62, 0.003966/step Wall: 6018.62, 0.003966/step, 1.09506 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1506000 677.7143 1817.1643 1953.6015 107.1445 -0.2334 -1047.8506 0.0000 0.0000 2698.7458 6206.2864 298.0840 3507.5406 6235.3774 297.9969 PRESSURE: 1506200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1506200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1506200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1506200 0 0 0 0 0 0 0 0 0 TIMING: 1506200 CPU: 6019.41, 0.00394608/step Wall: 6019.41, 0.00394608/step, 1.08934 hours remaining, 114.367188 MB of memory in use. ENERGY: 1506200 634.3281 1855.0594 1990.6528 105.6661 0.6044 -1091.3691 0.0000 0.0000 2750.1358 6245.0775 303.7602 3494.9417 6279.3080 300.8890 PRESSURE: 1506400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1506400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1506400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1506400 0 0 0 0 0 0 0 0 0 TIMING: 1506400 CPU: 6020.2, 0.00395069/step Wall: 6020.2, 0.00395069/step, 1.09039 hours remaining, 114.367188 MB of memory in use. ENERGY: 1506400 671.0185 1914.8469 1965.5224 102.1332 -0.1922 -1112.1823 0.0000 0.0000 2718.6323 6259.7788 300.2805 3541.1465 6293.4930 302.4060 PRESSURE: 1506600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1506600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1506600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1506600 0 0 0 0 0 0 0 0 0 TIMING: 1506600 CPU: 6020.99, 0.00395064/step Wall: 6020.99, 0.00395064/step, 1.09016 hours remaining, 114.367188 MB of memory in use. ENERGY: 1506600 662.2028 1807.5686 1962.8252 117.9470 0.1103 -1097.3668 0.0000 0.0000 2797.7079 6250.9950 309.0146 3453.2871 6286.3734 301.7993 PRESSURE: 1506800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1506800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1506800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1506800 0 0 0 0 0 0 0 0 0 TIMING: 1506800 CPU: 6021.78, 0.00394875/step Wall: 6021.78, 0.00394875/step, 1.08942 hours remaining, 114.367188 MB of memory in use. ENERGY: 1506800 701.6961 1937.4282 1951.4675 105.7562 1.8914 -1115.5811 0.0000 0.0000 2683.6688 6266.3272 296.4187 3582.6584 6296.6836 302.6582 PRESSURE: 1507000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1507000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1507000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1507000 0 0 0 0 0 0 0 0 0 TIMING: 1507000 CPU: 6022.57, 0.00394918/step Wall: 6022.57, 0.00394918/step, 1.08932 hours remaining, 114.367188 MB of memory in use. ENERGY: 1507000 679.0929 1860.1359 1955.4982 105.2633 -0.3029 -1069.2898 0.0000 0.0000 2722.7506 6253.1482 300.7354 3530.3976 6283.7252 302.4506 PRESSURE: 1507200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1507200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1507200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1507200 0 0 0 0 0 0 0 0 0 TIMING: 1507200 CPU: 6023.36, 0.00394605/step Wall: 6023.36, 0.00394605/step, 1.08823 hours remaining, 114.367188 MB of memory in use. ENERGY: 1507200 618.8545 1868.0508 1968.1334 106.6464 1.2913 -1097.9669 0.0000 0.0000 2744.9310 6209.9405 303.1853 3465.0095 6241.5824 300.8604 PRESSURE: 1507400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1507400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1507400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1507400 0 0 0 0 0 0 0 0 0 TIMING: 1507400 CPU: 6024.15, 0.00394897/step Wall: 6024.15, 0.00394898/step, 1.08882 hours remaining, 114.367188 MB of memory in use. ENERGY: 1507400 717.4253 1842.5025 1970.4813 96.6886 0.9643 -1081.6716 0.0000 0.0000 2716.0340 6262.4245 299.9935 3546.3905 6293.9673 300.8327 PRESSURE: 1507600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1507600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1507600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1507600 0 0 0 0 0 0 0 0 0 TIMING: 1507600 CPU: 6024.94, 0.00394914/step Wall: 6024.94, 0.00394914/step, 1.08865 hours remaining, 114.367188 MB of memory in use. ENERGY: 1507600 646.7135 1880.5050 1987.1093 113.6773 0.9998 -1086.7646 0.0000 0.0000 2730.0552 6272.2954 301.5422 3542.2402 6306.6779 302.4012 PRESSURE: 1507800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1507800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1507800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1507800 0 0 0 0 0 0 0 0 0 TIMING: 1507800 CPU: 6025.73, 0.00394897/step Wall: 6025.73, 0.00394897/step, 1.08838 hours remaining, 114.367188 MB of memory in use. ENERGY: 1507800 688.6287 1865.4535 1984.2322 99.7484 1.9401 -1067.7912 0.0000 0.0000 2682.3869 6254.5985 296.2771 3572.2116 6285.1003 302.4551 PRESSURE: 1508000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1508000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1508000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1508000 0 0 0 0 0 0 0 0 0 TIMING: 1508000 CPU: 6026.52, 0.00394727/step Wall: 6026.52, 0.00394727/step, 1.08769 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1508000 674.5442 1911.9770 1955.3007 114.5274 2.5474 -1094.6869 0.0000 0.0000 2702.4800 6266.6899 298.4964 3564.2099 6298.2685 302.3614 PRESSURE: 1508200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1508200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1508200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1508200 0 0 0 0 0 0 0 0 0 TIMING: 1508200 CPU: 6027.31, 0.00395003/step Wall: 6027.31, 0.00395003/step, 1.08823 hours remaining, 114.367188 MB of memory in use. ENERGY: 1508200 642.1507 1883.2999 1968.1171 97.2394 1.3878 -1056.1772 0.0000 0.0000 2705.9987 6242.0165 298.8851 3536.0178 6275.0922 301.3062 LDB: ============= START OF LOAD BALANCING ============== 6030.27 LDB: ============== END OF LOAD BALANCING =============== 6030.27 LDB: =============== DONE WITH MIGRATION ================ 6030.27 LDB: ============= START OF LOAD BALANCING ============== 6030.66 LDB: ============== END OF LOAD BALANCING =============== 6030.66 LDB: =============== DONE WITH MIGRATION ================ 6030.66 PRESSURE: 1508400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1508400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1508400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1508400 0 0 0 0 0 0 0 0 0 TIMING: 1508400 CPU: 6028.1, 0.00395457/step Wall: 6028.1, 0.00395456/step, 1.08926 hours remaining, 114.367188 MB of memory in use. ENERGY: 1508400 658.3853 1879.4785 1965.0610 101.0566 1.0719 -1079.3565 0.0000 0.0000 2702.5793 6228.2760 298.5074 3525.6967 6261.8973 299.6674 PRESSURE: 1508600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1508600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1508600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1508600 0 0 0 0 0 0 0 0 0 TIMING: 1508600 CPU: 6028.89, 0.00395021/step Wall: 6028.89, 0.00395021/step, 1.08785 hours remaining, 114.367188 MB of memory in use. ENERGY: 1508600 662.8465 1816.7803 1953.0990 99.7322 -0.7513 -1050.1666 0.0000 0.0000 2716.0515 6197.5917 299.9955 3481.5402 6232.1796 298.6084 PRESSURE: 1508800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1508800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1508800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1508800 0 0 0 0 0 0 0 0 0 TIMING: 1508800 CPU: 6029.68, 0.0039493/step Wall: 6029.68, 0.00394929/step, 1.08737 hours remaining, 114.367188 MB of memory in use. ENERGY: 1508800 648.3953 1854.7286 1978.4616 103.5039 0.7717 -1070.7440 0.0000 0.0000 2682.0733 6197.1904 296.2425 3515.1171 6228.4047 297.9703 PRESSURE: 1509000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1509000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1509000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1509000 0 0 0 0 0 0 0 0 0 TIMING: 1509000 CPU: 6030.47, 0.0039456/step Wall: 6030.47, 0.0039456/step, 1.08614 hours remaining, 114.367188 MB of memory in use. ENERGY: 1509000 672.1679 1833.8938 1960.6331 101.0566 0.6391 -1070.8157 0.0000 0.0000 2663.3100 6160.8847 294.1700 3497.5748 6195.0542 295.7460 PRESSURE: 1509200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1509200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1509200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1509200 0 0 0 0 0 0 0 0 0 TIMING: 1509200 CPU: 6031.26, 0.003952/step Wall: 6031.26, 0.003952/step, 1.08768 hours remaining, 114.367188 MB of memory in use. ENERGY: 1509200 649.2103 1814.4033 1965.0938 109.8309 -0.7690 -1069.7071 0.0000 0.0000 2649.7744 6117.8366 292.6750 3468.0621 6149.3232 295.6456 PRESSURE: 1509400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1509400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1509400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1509400 0 0 0 0 0 0 0 0 0 TIMING: 1509400 CPU: 6032.05, 0.00394913/step Wall: 6032.05, 0.00394913/step, 1.08667 hours remaining, 114.367188 MB of memory in use. ENERGY: 1509400 624.0388 1823.1932 1966.0544 93.0700 0.6361 -1063.9765 0.0000 0.0000 2715.5830 6158.5989 299.9437 3443.0159 6191.3849 296.2885 PRESSURE: 1509600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1509600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1509600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1509600 0 0 0 0 0 0 0 0 0 TIMING: 1509600 CPU: 6032.84, 0.00394939/step Wall: 6032.84, 0.00394938/step, 1.08652 hours remaining, 114.367188 MB of memory in use. ENERGY: 1509600 645.0737 1808.5745 1978.8690 106.8534 1.0323 -1101.9574 0.0000 0.0000 2665.3489 6103.7944 294.3952 3438.4454 6135.7327 294.1707 PRESSURE: 1509800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1509800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1509800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1509800 0 0 0 0 0 0 0 0 0 TIMING: 1509800 CPU: 6033.63, 0.00395068/step Wall: 6033.63, 0.00395069/step, 1.08666 hours remaining, 114.367188 MB of memory in use. ENERGY: 1509800 646.6009 1792.9985 1989.1595 108.4586 -0.0366 -1078.3937 0.0000 0.0000 2695.6943 6154.4814 297.7469 3458.7871 6188.6147 295.8820 PRESSURE: 1510000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1510000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1510000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1510000 0 0 0 0 0 0 0 0 0 TIMING: 1510000 CPU: 6034.42, 0.00394646/step Wall: 6034.42, 0.00394646/step, 1.08528 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1510000 622.8891 1914.6878 2006.1106 114.3117 0.0026 -1123.2145 0.0000 0.0000 2620.8424 6155.6297 289.4793 3534.7873 6187.8102 296.0674 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1510000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1510000 WRITING COORDINATES TO RESTART FILE AT STEP 1510000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1510000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1510200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1510200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1510200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1510200 0 0 0 0 0 0 0 0 0 TIMING: 1510200 CPU: 6035.47, 0.00525004/step Wall: 6035.47, 0.00525004/step, 1.44347 hours remaining, 114.367188 MB of memory in use. ENERGY: 1510200 664.9663 1836.6390 1994.7756 109.4828 -1.4669 -1105.7082 0.0000 0.0000 2675.2212 6173.9099 295.4856 3498.6887 6205.1217 295.7061 PRESSURE: 1510400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1510400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1510400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1510400 0 0 0 0 0 0 0 0 0 TIMING: 1510400 CPU: 6036.26, 0.00395173/step Wall: 6036.26, 0.00395173/step, 1.08629 hours remaining, 114.367188 MB of memory in use. ENERGY: 1510400 655.4783 1859.3615 1975.2895 105.8058 0.0518 -1114.5292 0.0000 0.0000 2690.1680 6171.6258 297.1365 3481.4578 6203.0913 297.2644 PRESSURE: 1510600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1510600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1510600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1510600 0 0 0 0 0 0 0 0 0 TIMING: 1510600 CPU: 6037.05, 0.00395083/step Wall: 6037.05, 0.00395083/step, 1.08582 hours remaining, 114.367188 MB of memory in use. ENERGY: 1510600 657.3021 1840.9766 1983.4780 100.7041 -0.5974 -1103.6303 0.0000 0.0000 2724.7056 6202.9387 300.9513 3478.2331 6235.1323 300.3855 PRESSURE: 1510800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1510800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1510800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1510800 0 0 0 0 0 0 0 0 0 TIMING: 1510800 CPU: 6037.84, 0.00394951/step Wall: 6037.84, 0.00394951/step, 1.08524 hours remaining, 114.367188 MB of memory in use. ENERGY: 1510800 648.3924 1828.8067 2017.8282 114.3696 0.3543 -1058.3764 0.0000 0.0000 2644.1494 6195.5242 292.0537 3551.3748 6226.5093 298.4023 PRESSURE: 1511000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1511000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1511000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1511000 0 0 0 0 0 0 0 0 0 TIMING: 1511000 CPU: 6038.63, 0.00395066/step Wall: 6038.63, 0.00395066/step, 1.08533 hours remaining, 114.367188 MB of memory in use. ENERGY: 1511000 680.2337 1872.5310 1973.7250 104.8576 0.1571 -1077.0757 0.0000 0.0000 2707.5239 6261.9526 299.0536 3554.4287 6293.0023 300.0366 PRESSURE: 1511200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1511200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1511200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1511200 0 0 0 0 0 0 0 0 0 TIMING: 1511200 CPU: 6039.42, 0.00394643/step Wall: 6039.42, 0.00394643/step, 1.08395 hours remaining, 114.367188 MB of memory in use. ENERGY: 1511200 648.5855 1847.2569 2004.8456 105.5979 -0.1478 -1035.4452 0.0000 0.0000 2697.1373 6267.8301 297.9063 3570.6929 6299.5193 303.2121 PRESSURE: 1511400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1511400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1511400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1511400 0 0 0 0 0 0 0 0 0 TIMING: 1511400 CPU: 6040.21, 0.0039508/step Wall: 6040.21, 0.0039508/step, 1.08493 hours remaining, 114.367188 MB of memory in use. ENERGY: 1511400 653.4309 1828.7740 1969.4029 99.1565 0.6718 -1057.9882 0.0000 0.0000 2712.9883 6206.4363 299.6571 3493.4480 6240.3591 299.4080 PRESSURE: 1511600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1511600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1511600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1511600 0 0 0 0 0 0 0 0 0 TIMING: 1511600 CPU: 6041, 0.00395052/step Wall: 6041, 0.00395052/step, 1.08464 hours remaining, 114.367188 MB of memory in use. ENERGY: 1511600 703.4101 1833.2240 1989.2115 120.1172 0.1752 -1099.4319 0.0000 0.0000 2736.3934 6283.0995 302.2423 3546.7061 6316.6496 301.6121 PRESSURE: 1511800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1511800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1511800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1511800 0 0 0 0 0 0 0 0 0 TIMING: 1511800 CPU: 6041.79, 0.0039506/step Wall: 6041.79, 0.0039506/step, 1.08444 hours remaining, 114.367188 MB of memory in use. ENERGY: 1511800 643.3817 1854.6990 1978.0033 102.4740 1.5196 -1080.0583 0.0000 0.0000 2753.8202 6253.8394 304.1671 3500.0193 6288.9127 303.0238 PRESSURE: 1512000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1512000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1512000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1512000 0 0 0 0 0 0 0 0 0 TIMING: 1512000 CPU: 6042.58, 0.00394637/step Wall: 6042.58, 0.00394637/step, 1.08306 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1512000 682.1862 1837.2840 1978.8399 115.9536 0.5838 -1082.7031 0.0000 0.0000 2782.8851 6315.0296 307.3774 3532.1445 6350.9105 303.2366 PRESSURE: 1512200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1512200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1512200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1512200 0 0 0 0 0 0 0 0 0 TIMING: 1512200 CPU: 6043.37, 0.0039503/step Wall: 6043.37, 0.0039503/step, 1.08392 hours remaining, 114.367188 MB of memory in use. ENERGY: 1512200 684.9862 1871.0164 1966.1797 101.2711 0.0135 -1101.0247 0.0000 0.0000 2750.3230 6272.7651 303.7808 3522.4421 6306.3668 302.2078 LDB: ============= START OF LOAD BALANCING ============== 6046.33 LDB: ============== END OF LOAD BALANCING =============== 6046.33 LDB: =============== DONE WITH MIGRATION ================ 6046.33 LDB: ============= START OF LOAD BALANCING ============== 6046.72 LDB: ============== END OF LOAD BALANCING =============== 6046.72 LDB: =============== DONE WITH MIGRATION ================ 6046.72 PRESSURE: 1512400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1512400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1512400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1512400 0 0 0 0 0 0 0 0 0 TIMING: 1512400 CPU: 6044.16, 0.0039676/step Wall: 6044.16, 0.0039676/step, 1.08844 hours remaining, 114.367188 MB of memory in use. ENERGY: 1512400 669.2503 1880.6160 1997.5012 107.8461 -0.0129 -1086.3818 0.0000 0.0000 2746.9602 6315.7790 303.4094 3568.8188 6347.1735 303.9005 PRESSURE: 1512600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1512600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1512600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1512600 0 0 0 0 0 0 0 0 0 TIMING: 1512600 CPU: 6044.95, 0.0039551/step Wall: 6044.95, 0.0039551/step, 1.0848 hours remaining, 114.367188 MB of memory in use. ENERGY: 1512600 665.8603 1875.6821 1990.9169 112.9913 -0.3806 -1103.7830 0.0000 0.0000 2782.7997 6324.0868 307.3680 3541.2870 6357.5828 304.9827 PRESSURE: 1512800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1512800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1512800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1512800 0 0 0 0 0 0 0 0 0 TIMING: 1512800 CPU: 6045.74, 0.00395494/step Wall: 6045.74, 0.00395494/step, 1.08453 hours remaining, 114.367188 MB of memory in use. ENERGY: 1512800 671.5253 1832.6686 1997.7781 110.7465 -0.9342 -1093.0864 0.0000 0.0000 2764.3483 6283.0463 305.3300 3518.6980 6318.1447 303.9244 PRESSURE: 1513000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1513000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1513000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1513000 0 0 0 0 0 0 0 0 0 TIMING: 1513000 CPU: 6046.53, 0.0039465/step Wall: 6046.53, 0.0039465/step, 1.082 hours remaining, 114.367188 MB of memory in use. ENERGY: 1513000 669.8723 1860.4346 1969.7352 118.4073 1.0295 -1084.5716 0.0000 0.0000 2765.9597 6300.8670 305.5080 3534.9072 6334.3941 302.6491 PRESSURE: 1513200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1513200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1513200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1513200 0 0 0 0 0 0 0 0 0 TIMING: 1513200 CPU: 6047.32, 0.00395173/step Wall: 6047.32, 0.00395173/step, 1.08321 hours remaining, 114.367188 MB of memory in use. ENERGY: 1513200 661.6829 1870.0150 1992.3629 104.5299 1.5409 -1061.1706 0.0000 0.0000 2699.6909 6268.6520 298.1884 3568.9611 6301.1379 302.1622 PRESSURE: 1513400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1513400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1513400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1513400 0 0 0 0 0 0 0 0 0 TIMING: 1513400 CPU: 6048.11, 0.00395074/step Wall: 6048.11, 0.00395074/step, 1.08272 hours remaining, 114.367188 MB of memory in use. ENERGY: 1513400 645.5425 1837.6075 2009.2450 110.6479 0.9533 -1106.2512 0.0000 0.0000 2705.5152 6203.2602 298.8317 3497.7451 6237.1844 298.3920 PRESSURE: 1513600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1513600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1513600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1513600 0 0 0 0 0 0 0 0 0 TIMING: 1513600 CPU: 6048.9, 0.00394953/step Wall: 6048.9, 0.00394952/step, 1.08217 hours remaining, 114.367188 MB of memory in use. ENERGY: 1513600 673.2953 1846.2353 1994.4294 103.9175 1.9872 -1096.8770 0.0000 0.0000 2659.9110 6182.8987 293.7946 3522.9877 6215.2933 298.8279 PRESSURE: 1513800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1513800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1513800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1513800 0 0 0 0 0 0 0 0 0 TIMING: 1513800 CPU: 6049.69, 0.00395118/step Wall: 6049.69, 0.00395119/step, 1.08241 hours remaining, 114.367188 MB of memory in use. ENERGY: 1513800 618.0952 1850.0597 1960.2512 98.8860 0.1890 -1081.2118 0.0000 0.0000 2718.9460 6165.2152 300.3152 3446.2692 6197.2874 295.9568 PRESSURE: 1514000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1514000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1514000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1514000 0 0 0 0 0 0 0 0 0 TIMING: 1514000 CPU: 6050.48, 0.00394739/step Wall: 6050.48, 0.00394739/step, 1.08115 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1514000 672.7710 1840.4002 1949.4766 106.5009 0.8080 -1072.6813 0.0000 0.0000 2740.1308 6237.4062 302.6551 3497.2754 6268.9499 297.9157 PRESSURE: 1514200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1514200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1514200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1514200 0 0 0 0 0 0 0 0 0 TIMING: 1514200 CPU: 6051.27, 0.00395258/step Wall: 6051.27, 0.00395258/step, 1.08235 hours remaining, 114.367188 MB of memory in use. ENERGY: 1514200 646.2588 1798.4124 1982.3216 115.1151 0.7543 -1043.6253 0.0000 0.0000 2704.0613 6203.2983 298.6711 3499.2370 6238.0923 299.9852 PRESSURE: 1514400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1514400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1514400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1514400 0 0 0 0 0 0 0 0 0 TIMING: 1514400 CPU: 6052.06, 0.00395172/step Wall: 6052.06, 0.00395172/step, 1.08189 hours remaining, 114.367188 MB of memory in use. ENERGY: 1514400 650.4899 1852.1721 1971.4160 105.3181 0.0558 -1083.4417 0.0000 0.0000 2707.5864 6203.5966 299.0605 3496.0102 6238.7394 298.8825 PRESSURE: 1514600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1514600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1514600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1514600 0 0 0 0 0 0 0 0 0 TIMING: 1514600 CPU: 6052.85, 0.00395196/step Wall: 6052.85, 0.00395196/step, 1.08174 hours remaining, 114.367188 MB of memory in use. ENERGY: 1514600 648.4824 1831.5826 1984.6917 114.2317 1.9360 -1069.5943 0.0000 0.0000 2726.7063 6238.0364 301.1723 3511.3301 6270.8738 297.9610 PRESSURE: 1514800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1514800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1514800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1514800 0 0 0 0 0 0 0 0 0 TIMING: 1514800 CPU: 6053.64, 0.0039511/step Wall: 6053.64, 0.0039511/step, 1.08129 hours remaining, 114.367188 MB of memory in use. ENERGY: 1514800 652.2377 1814.0996 1991.5462 110.7341 -0.2922 -1056.3988 0.0000 0.0000 2701.0438 6212.9704 298.3378 3511.9266 6247.1228 298.5990 PRESSURE: 1515000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1515000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1515000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1515000 0 0 0 0 0 0 0 0 0 TIMING: 1515000 CPU: 6054.43, 0.00394727/step Wall: 6054.43, 0.00394727/step, 1.08002 hours remaining, 114.367188 MB of memory in use. ENERGY: 1515000 673.8892 1852.8995 1975.8577 105.1755 -0.1998 -1111.4439 0.0000 0.0000 2759.1436 6255.3218 304.7551 3496.1781 6287.9658 300.8844 PRESSURE: 1515200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1515200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1515200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1515200 0 0 0 0 0 0 0 0 0 TIMING: 1515200 CPU: 6055.22, 0.00395083/step Wall: 6055.22, 0.00395082/step, 1.08077 hours remaining, 114.367188 MB of memory in use. ENERGY: 1515200 675.3380 1837.2307 1987.1601 108.7987 1.7922 -1114.8715 0.0000 0.0000 2743.5109 6238.9590 303.0284 3495.4481 6274.8522 301.4940 PRESSURE: 1515400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1515400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1515400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1515400 0 0 0 0 0 0 0 0 0 TIMING: 1515400 CPU: 6056.01, 0.00394987/step Wall: 6056.01, 0.00394987/step, 1.08029 hours remaining, 114.367188 MB of memory in use. ENERGY: 1515400 639.6762 1848.9318 1962.5540 106.0330 0.3882 -1081.9654 0.0000 0.0000 2701.0238 6176.6415 298.3356 3475.6177 6210.2650 299.4729 PRESSURE: 1515600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1515600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1515600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1515600 0 0 0 0 0 0 0 0 0 TIMING: 1515600 CPU: 6056.8, 0.00395031/step Wall: 6056.8, 0.00395031/step, 1.08019 hours remaining, 114.367188 MB of memory in use. ENERGY: 1515600 652.5225 1885.7871 1963.3326 109.0460 1.0822 -1102.2368 0.0000 0.0000 2720.1639 6229.6974 300.4497 3509.5335 6264.4213 298.6578 PRESSURE: 1515800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1515800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1515800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1515800 0 0 0 0 0 0 0 0 0 TIMING: 1515800 CPU: 6057.59, 0.0039468/step Wall: 6057.59, 0.0039468/step, 1.07901 hours remaining, 114.367188 MB of memory in use. ENERGY: 1515800 647.5119 1881.1576 1994.5937 119.8715 1.4316 -1074.5903 0.0000 0.0000 2706.8494 6276.8253 298.9791 3569.9759 6309.6115 301.8624 PRESSURE: 1516000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1516000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1516000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1516000 0 0 0 0 0 0 0 0 0 TIMING: 1516000 CPU: 6058.38, 0.00394953/step Wall: 6058.38, 0.00394953/step, 1.07954 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1516000 645.6186 1856.2979 2009.4311 103.5664 -0.4027 -1071.8469 0.0000 0.0000 2694.8720 6237.5362 297.6561 3542.6643 6268.8587 301.4512 PRESSURE: 1516200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1516200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1516200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1516200 0 0 0 0 0 0 0 0 0 TIMING: 1516200 CPU: 6059.17, 0.00395645/step Wall: 6059.17, 0.00395645/step, 1.08121 hours remaining, 114.367188 MB of memory in use. ENERGY: 1516200 676.4690 1862.1055 1985.5519 104.7753 -0.2831 -1085.9716 0.0000 0.0000 2727.7019 6270.3488 301.2823 3542.6469 6304.7778 301.4459 LDB: ============= START OF LOAD BALANCING ============== 6062.13 LDB: ============== END OF LOAD BALANCING =============== 6062.13 LDB: =============== DONE WITH MIGRATION ================ 6062.13 LDB: ============= START OF LOAD BALANCING ============== 6062.53 LDB: ============== END OF LOAD BALANCING =============== 6062.53 LDB: =============== DONE WITH MIGRATION ================ 6062.53 PRESSURE: 1516400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1516400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1516400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1516400 0 0 0 0 0 0 0 0 0 TIMING: 1516400 CPU: 6059.96, 0.00395461/step Wall: 6059.96, 0.00395461/step, 1.08049 hours remaining, 114.367188 MB of memory in use. ENERGY: 1516400 681.4859 1861.7032 1990.7974 93.0586 -0.3857 -1078.9501 0.0000 0.0000 2736.9346 6284.6439 302.3020 3547.7093 6316.2788 303.0348 PRESSURE: 1516600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1516600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1516600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1516600 0 0 0 0 0 0 0 0 0 TIMING: 1516600 CPU: 6060.75, 0.00395238/step Wall: 6060.75, 0.00395238/step, 1.07966 hours remaining, 114.367188 MB of memory in use. ENERGY: 1516600 683.0749 1882.0350 1993.0385 109.7319 1.1710 -1130.3451 0.0000 0.0000 2660.7713 6199.4776 293.8896 3538.7062 6232.4632 301.9453 PRESSURE: 1516800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1516800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1516800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1516800 0 0 0 0 0 0 0 0 0 TIMING: 1516800 CPU: 6061.54, 0.0039495/step Wall: 6061.54, 0.0039495/step, 1.07865 hours remaining, 114.367188 MB of memory in use. ENERGY: 1516800 648.6094 1845.5932 1974.6143 100.9335 0.3723 -1078.8074 0.0000 0.0000 2712.9469 6204.2621 299.6525 3491.3152 6236.8045 298.2031 PRESSURE: 1517000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1517000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1517000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1517000 0 0 0 0 0 0 0 0 0 TIMING: 1517000 CPU: 6062.34, 0.00395148/step Wall: 6062.34, 0.00395148/step, 1.07897 hours remaining, 114.367188 MB of memory in use. ENERGY: 1517000 694.2708 1873.7887 1993.8948 103.3560 0.1033 -1076.7585 0.0000 0.0000 2641.2307 6229.8859 291.7313 3588.6552 6260.2891 297.5200 PRESSURE: 1517200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1517200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1517200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1517200 0 0 0 0 0 0 0 0 0 TIMING: 1517200 CPU: 6063.13, 0.003951/step Wall: 6063.13, 0.003951/step, 1.07862 hours remaining, 114.367188 MB of memory in use. ENERGY: 1517200 656.2181 1850.9057 1987.2618 110.9938 0.9587 -1072.9141 0.0000 0.0000 2676.0584 6209.4824 295.5781 3533.4240 6243.4540 299.1791 PRESSURE: 1517400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1517400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1517400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1517400 0 0 0 0 0 0 0 0 0 TIMING: 1517400 CPU: 6063.92, 0.00394897/step Wall: 6063.92, 0.00394897/step, 1.07785 hours remaining, 114.367188 MB of memory in use. ENERGY: 1517400 669.2764 1836.8286 1995.8320 107.6962 0.0268 -1084.0238 0.0000 0.0000 2706.1707 6231.8069 298.9041 3525.6362 6263.2543 300.4777 PRESSURE: 1517600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1517600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1517600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1517600 0 0 0 0 0 0 0 0 0 TIMING: 1517600 CPU: 6064.71, 0.00395046/step Wall: 6064.71, 0.00395046/step, 1.07804 hours remaining, 114.367188 MB of memory in use. ENERGY: 1517600 642.5502 1808.2033 1973.3817 105.6055 0.8955 -1082.4851 0.0000 0.0000 2724.8847 6173.0358 300.9711 3448.1511 6207.8399 298.4389 PRESSURE: 1517800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1517800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1517800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1517800 0 0 0 0 0 0 0 0 0 TIMING: 1517800 CPU: 6065.49, 0.00394747/step Wall: 6065.49, 0.00394747/step, 1.077 hours remaining, 114.367188 MB of memory in use. ENERGY: 1517800 623.9511 1816.9324 1986.3653 121.7391 0.2735 -1073.1721 0.0000 0.0000 2722.8254 6198.9147 300.7436 3476.0893 6233.3421 297.4255 PRESSURE: 1518000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1518000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1518000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1518000 0 0 0 0 0 0 0 0 0 TIMING: 1518000 CPU: 6066.29, 0.00395231/step Wall: 6066.29, 0.00395231/step, 1.0781 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1518000 653.4718 1824.6838 1975.0723 108.3280 0.8485 -1068.0501 0.0000 0.0000 2694.6951 6189.0494 297.6366 3494.3543 6223.6459 299.4792 PRESSURE: 1518200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1518200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1518200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1518200 0 0 0 0 0 0 0 0 0 TIMING: 1518200 CPU: 6067.08, 0.00395235/step Wall: 6067.08, 0.00395235/step, 1.07789 hours remaining, 114.367188 MB of memory in use. ENERGY: 1518200 638.6945 1812.2881 1981.0376 98.4541 0.1363 -1079.2106 0.0000 0.0000 2711.0459 6162.4459 299.4426 3451.3999 6196.3066 296.0270 PRESSURE: 1518400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1518400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1518400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1518400 0 0 0 0 0 0 0 0 0 TIMING: 1518400 CPU: 6067.87, 0.00394851/step Wall: 6067.87, 0.00394851/step, 1.07663 hours remaining, 114.367188 MB of memory in use. ENERGY: 1518400 638.9884 1792.7687 1978.3485 113.2830 -0.7879 -1103.6067 0.0000 0.0000 2724.8595 6143.8535 300.9683 3418.9940 6176.7195 294.9777 PRESSURE: 1518600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1518600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1518600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1518600 0 0 0 0 0 0 0 0 0 TIMING: 1518600 CPU: 6068.66, 0.00394962/step Wall: 6068.66, 0.00394962/step, 1.07671 hours remaining, 114.367188 MB of memory in use. ENERGY: 1518600 625.3172 1808.7985 1973.3806 109.1603 0.0381 -1044.5980 0.0000 0.0000 2682.0821 6154.1788 296.2434 3472.0967 6187.1009 295.3241 PRESSURE: 1518800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1518800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1518800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1518800 0 0 0 0 0 0 0 0 0 TIMING: 1518800 CPU: 6069.44, 0.00394828/step Wall: 6069.44, 0.00394828/step, 1.07613 hours remaining, 114.367188 MB of memory in use. ENERGY: 1518800 629.3831 1802.4126 1964.8597 96.7349 1.7306 -1069.0653 0.0000 0.0000 2693.2287 6119.2843 297.4746 3426.0556 6152.6672 293.4911 PRESSURE: 1519000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1519000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1519000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1519000 0 0 0 0 0 0 0 0 0 TIMING: 1519000 CPU: 6070.23, 0.00395015/step Wall: 6070.23, 0.00395015/step, 1.07642 hours remaining, 114.367188 MB of memory in use. ENERGY: 1519000 600.9541 1857.4853 1984.0562 107.9580 0.3989 -1069.3943 0.0000 0.0000 2666.9696 6148.4279 294.5742 3481.4583 6179.9315 293.7335 PRESSURE: 1519200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1519200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1519200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1519200 0 0 0 0 0 0 0 0 0 TIMING: 1519200 CPU: 6071.02, 0.00394957/step Wall: 6071.02, 0.00394957/step, 1.07604 hours remaining, 114.367188 MB of memory in use. ENERGY: 1519200 635.0455 1826.3886 1973.6312 112.3735 -0.3873 -1080.5889 0.0000 0.0000 2716.9997 6183.4621 300.1002 3466.4625 6218.2936 297.8143 PRESSURE: 1519400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1519400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1519400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1519400 0 0 0 0 0 0 0 0 0 TIMING: 1519400 CPU: 6071.81, 0.00394955/step Wall: 6071.81, 0.00394955/step, 1.07581 hours remaining, 114.367188 MB of memory in use. ENERGY: 1519400 651.1401 1859.3659 1966.1934 120.9958 0.8683 -1048.6404 0.0000 0.0000 2687.3537 6237.2768 296.8257 3549.9231 6270.0139 299.2876 PRESSURE: 1519600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1519600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1519600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1519600 0 0 0 0 0 0 0 0 0 TIMING: 1519600 CPU: 6072.6, 0.00394683/step Wall: 6072.6, 0.00394683/step, 1.07485 hours remaining, 114.367188 MB of memory in use. ENERGY: 1519600 635.9500 1886.1015 1992.4549 110.8683 1.9858 -1107.5898 0.0000 0.0000 2709.4390 6229.2097 299.2651 3519.7707 6261.2219 301.0293 PRESSURE: 1519800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1519800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1519800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1519800 0 0 0 0 0 0 0 0 0 TIMING: 1519800 CPU: 6073.39, 0.00395074/step Wall: 6073.39, 0.00395074/step, 1.0757 hours remaining, 114.367188 MB of memory in use. ENERGY: 1519800 640.3165 1862.0408 1996.6433 121.1567 1.5872 -1099.5139 0.0000 0.0000 2669.7512 6191.9819 294.8815 3522.2307 6225.1191 299.7282 PRESSURE: 1520000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1520000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1520000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1520000 0 0 0 0 0 0 0 0 0 TIMING: 1520000 CPU: 6074.18, 0.00395133/step Wall: 6074.18, 0.00395133/step, 1.07564 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1520000 665.4966 1776.7051 1973.0285 110.6002 1.1377 -1075.6225 0.0000 0.0000 2725.0438 6176.3893 300.9887 3451.3455 6211.8883 297.2385 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1520000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1520000 WRITING COORDINATES TO RESTART FILE AT STEP 1520000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1520000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1520200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1520200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1520200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1520200 0 0 0 0 0 0 0 0 0 TIMING: 1520200 CPU: 6075.91, 0.00865129/step Wall: 6075.91, 0.00865129/step, 2.35459 hours remaining, 114.367188 MB of memory in use. ENERGY: 1520200 624.1679 1851.7975 1954.9282 113.9294 0.8031 -1091.9349 0.0000 0.0000 2696.6528 6150.3439 297.8528 3453.6911 6186.7800 297.0876 LDB: ============= START OF LOAD BALANCING ============== 6078.87 LDB: ============== END OF LOAD BALANCING =============== 6078.87 LDB: =============== DONE WITH MIGRATION ================ 6078.87 LDB: ============= START OF LOAD BALANCING ============== 6079.27 LDB: ============== END OF LOAD BALANCING =============== 6079.27 LDB: =============== DONE WITH MIGRATION ================ 6079.27 PRESSURE: 1520400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1520400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1520400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1520400 0 0 0 0 0 0 0 0 0 TIMING: 1520400 CPU: 6076.71, 0.00395692/step Wall: 6076.71, 0.00395692/step, 1.07672 hours remaining, 114.367188 MB of memory in use. ENERGY: 1520400 648.8261 1844.0370 1949.5255 106.7411 0.5165 -1062.7138 0.0000 0.0000 2674.7720 6161.7044 295.4360 3486.9324 6194.2015 296.5619 PRESSURE: 1520600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1520600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1520600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1520600 0 0 0 0 0 0 0 0 0 TIMING: 1520600 CPU: 6077.5, 0.00394898/step Wall: 6077.5, 0.00394898/step, 1.07434 hours remaining, 114.367188 MB of memory in use. ENERGY: 1520600 649.1164 1832.9361 1943.3306 92.7669 0.0773 -1064.3187 0.0000 0.0000 2632.6312 6086.5398 290.7814 3453.9086 6119.0964 293.0992 PRESSURE: 1520800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1520800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1520800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1520800 0 0 0 0 0 0 0 0 0 TIMING: 1520800 CPU: 6078.29, 0.00395063/step Wall: 6078.29, 0.00395063/step, 1.07457 hours remaining, 114.367188 MB of memory in use. ENERGY: 1520800 643.4165 1837.9467 1949.6565 99.1176 -1.5842 -1092.8759 0.0000 0.0000 2677.1737 6112.8510 295.7013 3435.6773 6146.1468 291.5055 PRESSURE: 1521000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1521000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1521000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1521000 0 0 0 0 0 0 0 0 0 TIMING: 1521000 CPU: 6079.08, 0.00395116/step Wall: 6079.08, 0.00395116/step, 1.0745 hours remaining, 114.367188 MB of memory in use. ENERGY: 1521000 625.0224 1815.8990 1986.8626 107.0482 -1.6002 -1067.5623 0.0000 0.0000 2628.6970 6094.3667 290.3469 3465.6697 6126.3552 293.0552 PRESSURE: 1521200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1521200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1521200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1521200 0 0 0 0 0 0 0 0 0 TIMING: 1521200 CPU: 6079.87, 0.00394969/step Wall: 6079.87, 0.00394969/step, 1.07388 hours remaining, 114.367188 MB of memory in use. ENERGY: 1521200 631.9298 1860.0408 1959.6268 104.1533 -0.5850 -1023.9856 0.0000 0.0000 2613.9218 6145.1018 288.7149 3531.1800 6173.6318 293.8965 PRESSURE: 1521400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1521400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1521400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1521400 0 0 0 0 0 0 0 0 0 TIMING: 1521400 CPU: 6080.66, 0.00394721/step Wall: 6080.66, 0.00394721/step, 1.07298 hours remaining, 114.367188 MB of memory in use. ENERGY: 1521400 619.5808 1859.3165 1996.6036 107.6032 -0.0588 -1073.4460 0.0000 0.0000 2669.8985 6179.4978 294.8977 3509.5993 6211.6597 294.9328 PRESSURE: 1521600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1521600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1521600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1521600 0 0 0 0 0 0 0 0 0 TIMING: 1521600 CPU: 6081.45, 0.00395159/step Wall: 6081.45, 0.00395159/step, 1.07395 hours remaining, 114.367188 MB of memory in use. ENERGY: 1521600 661.5833 1802.7370 1966.5983 110.3172 -1.4861 -1094.7046 0.0000 0.0000 2703.5317 6148.5767 298.6126 3445.0450 6181.7530 298.7883 PRESSURE: 1521800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1521800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1521800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1521800 0 0 0 0 0 0 0 0 0 TIMING: 1521800 CPU: 6082.24, 0.00394946/step Wall: 6082.24, 0.00394946/step, 1.07315 hours remaining, 114.367188 MB of memory in use. ENERGY: 1521800 634.3432 1845.2700 1959.2210 120.6355 -0.3834 -1096.3917 0.0000 0.0000 2651.2514 6113.9461 292.8381 3462.6946 6148.0168 294.4086 PRESSURE: 1522000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1522000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1522000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1522000 0 0 0 0 0 0 0 0 0 TIMING: 1522000 CPU: 6083.03, 0.00395126/step Wall: 6083.03, 0.00395126/step, 1.07343 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1522000 673.8937 1800.6021 1978.6759 104.0893 -0.8353 -1091.7904 0.0000 0.0000 2712.8000 6177.4352 299.6363 3464.6353 6212.5559 295.5195 PRESSURE: 1522200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1522200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1522200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1522200 0 0 0 0 0 0 0 0 0 TIMING: 1522200 CPU: 6083.82, 0.00395015/step Wall: 6083.82, 0.00395015/step, 1.0729 hours remaining, 114.367188 MB of memory in use. ENERGY: 1522200 660.8899 1816.9276 1991.6993 101.2863 -1.2138 -1037.8213 0.0000 0.0000 2687.0420 6218.8100 296.7913 3531.7680 6250.3932 297.3986 PRESSURE: 1522400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1522400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1522400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1522400 0 0 0 0 0 0 0 0 0 TIMING: 1522400 CPU: 6084.61, 0.00394605/step Wall: 6084.61, 0.00394605/step, 1.07157 hours remaining, 114.367188 MB of memory in use. ENERGY: 1522400 630.4577 1857.7612 1950.6561 103.0084 1.4228 -1046.3277 0.0000 0.0000 2746.8270 6243.8055 303.3947 3496.9784 6279.5965 300.4815 PRESSURE: 1522600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1522600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1522600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1522600 0 0 0 0 0 0 0 0 0 TIMING: 1522600 CPU: 6085.4, 0.00394953/step Wall: 6085.4, 0.00394953/step, 1.0723 hours remaining, 114.367188 MB of memory in use. ENERGY: 1522600 603.1880 1866.7401 1958.4347 115.9852 2.2062 -1049.2743 0.0000 0.0000 2751.4435 6248.7233 303.9046 3497.2798 6282.6453 300.7973 PRESSURE: 1522800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1522800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1522800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1522800 0 0 0 0 0 0 0 0 0 TIMING: 1522800 CPU: 6086.19, 0.00395007/step Wall: 6086.19, 0.00395007/step, 1.07222 hours remaining, 114.367188 MB of memory in use. ENERGY: 1522800 681.0352 1892.7464 1976.3662 94.8511 2.6900 -1102.6309 0.0000 0.0000 2711.7759 6256.8338 299.5232 3545.0579 6291.2027 301.9097 PRESSURE: 1523000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1523000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1523000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1523000 0 0 0 0 0 0 0 0 0 TIMING: 1523000 CPU: 6086.98, 0.00394948/step Wall: 6086.98, 0.00394948/step, 1.07185 hours remaining, 114.367188 MB of memory in use. ENERGY: 1523000 670.4045 1846.1597 1988.5239 108.7501 0.7527 -1086.6592 0.0000 0.0000 2753.4613 6281.3929 304.1275 3527.9316 6316.8770 303.1704 PRESSURE: 1523200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1523200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1523200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1523200 0 0 0 0 0 0 0 0 0 TIMING: 1523200 CPU: 6087.77, 0.00395118/step Wall: 6087.77, 0.00395118/step, 1.07209 hours remaining, 114.367188 MB of memory in use. ENERGY: 1523200 668.5551 1866.4245 1971.5113 107.7789 0.4673 -1097.8899 0.0000 0.0000 2707.8046 6224.6518 299.0846 3516.8472 6260.4233 301.8827 PRESSURE: 1523400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1523400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1523400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1523400 0 0 0 0 0 0 0 0 0 TIMING: 1523400 CPU: 6088.55, 0.00394675/step Wall: 6088.55, 0.00394675/step, 1.07067 hours remaining, 114.367188 MB of memory in use. ENERGY: 1523400 691.2506 1864.0931 1976.8287 106.5445 0.1507 -1071.3659 0.0000 0.0000 2729.4067 6296.9084 301.4706 3567.5017 6330.4902 302.0616 PRESSURE: 1523600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1523600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1523600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1523600 0 0 0 0 0 0 0 0 0 TIMING: 1523600 CPU: 6089.35, 0.00395104/step Wall: 6089.35, 0.00395104/step, 1.07161 hours remaining, 114.367188 MB of memory in use. ENERGY: 1523600 641.4793 1890.2742 2015.7407 114.0065 -0.0604 -1072.6026 0.0000 0.0000 2735.0197 6323.8575 302.0905 3588.8378 6355.8826 304.5724 PRESSURE: 1523800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1523800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1523800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1523800 0 0 0 0 0 0 0 0 0 TIMING: 1523800 CPU: 6090.13, 0.00394844/step Wall: 6090.13, 0.00394844/step, 1.07069 hours remaining, 114.367188 MB of memory in use. ENERGY: 1523800 656.7251 1852.3789 1983.8228 111.1475 0.3806 -1069.8743 0.0000 0.0000 2764.2147 6298.7953 305.3152 3534.5806 6333.3372 304.9364 PRESSURE: 1524000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1524000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1524000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1524000 0 0 0 0 0 0 0 0 0 TIMING: 1524000 CPU: 6090.92, 0.0039498/step Wall: 6090.92, 0.0039498/step, 1.07083 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1524000 680.0001 1820.2313 1991.5879 105.7569 0.9275 -1058.0334 0.0000 0.0000 2784.2216 6324.6918 307.5250 3540.4702 6360.9918 304.2870 PRESSURE: 1524200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1524200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1524200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1524200 0 0 0 0 0 0 0 0 0 TIMING: 1524200 CPU: 6091.71, 0.00395009/step Wall: 6091.71, 0.00395009/step, 1.07069 hours remaining, 114.367188 MB of memory in use. ENERGY: 1524200 697.1600 1877.0261 2001.6614 110.3333 1.3523 -1102.7106 0.0000 0.0000 2746.4399 6331.2622 303.3519 3584.8224 6366.2951 306.6852 LDB: ============= START OF LOAD BALANCING ============== 6094.67 LDB: ============== END OF LOAD BALANCING =============== 6094.67 LDB: =============== DONE WITH MIGRATION ================ 6094.67 LDB: ============= START OF LOAD BALANCING ============== 6095.07 LDB: ============== END OF LOAD BALANCING =============== 6095.07 LDB: =============== DONE WITH MIGRATION ================ 6095.07 PRESSURE: 1524400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1524400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1524400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1524400 0 0 0 0 0 0 0 0 0 TIMING: 1524400 CPU: 6092.5, 0.00394996/step Wall: 6092.5, 0.00394996/step, 1.07044 hours remaining, 114.367188 MB of memory in use. ENERGY: 1524400 673.2442 1814.0693 1983.6018 115.7365 -0.0644 -1067.1881 0.0000 0.0000 2779.5775 6298.9767 307.0121 3519.3992 6334.4644 305.6540 PRESSURE: 1524600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1524600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1524600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1524600 0 0 0 0 0 0 0 0 0 TIMING: 1524600 CPU: 6093.29, 0.00394862/step Wall: 6093.29, 0.00394862/step, 1.06986 hours remaining, 114.367188 MB of memory in use. ENERGY: 1524600 658.7590 1825.9292 1960.7588 117.4077 0.3393 -1051.2896 0.0000 0.0000 2770.4690 6282.3734 306.0060 3511.9044 6316.6122 305.3347 PRESSURE: 1524800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1524800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1524800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1524800 0 0 0 0 0 0 0 0 0 TIMING: 1524800 CPU: 6094.08, 0.00394984/step Wall: 6094.08, 0.00394984/step, 1.06997 hours remaining, 114.367188 MB of memory in use. ENERGY: 1524800 628.3984 1878.5808 1950.2442 124.8909 0.5217 -1038.3054 0.0000 0.0000 2737.2283 6281.5589 302.3345 3544.3306 6316.5020 304.4940 PRESSURE: 1525000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1525000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1525000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1525000 0 0 0 0 0 0 0 0 0 TIMING: 1525000 CPU: 6094.87, 0.00394801/step Wall: 6094.87, 0.00394801/step, 1.06925 hours remaining, 114.367188 MB of memory in use. ENERGY: 1525000 681.0746 1875.6214 1953.7911 115.9149 0.4926 -1094.8544 0.0000 0.0000 2760.1283 6292.1684 304.8639 3532.0401 6325.2556 303.3600 PRESSURE: 1525200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1525200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1525200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1525200 0 0 0 0 0 0 0 0 0 TIMING: 1525200 CPU: 6095.66, 0.00394526/step Wall: 6095.66, 0.00394526/step, 1.06829 hours remaining, 114.367188 MB of memory in use. ENERGY: 1525200 685.8820 1876.5692 2009.8694 109.9000 -0.1331 -1065.1723 0.0000 0.0000 2676.5615 6293.4767 295.6337 3616.9153 6325.4366 304.2786 PRESSURE: 1525400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1525400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1525400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1525400 0 0 0 0 0 0 0 0 0 TIMING: 1525400 CPU: 6096.45, 0.00394982/step Wall: 6096.45, 0.00394982/step, 1.0693 hours remaining, 114.367188 MB of memory in use. ENERGY: 1525400 694.3882 1820.1037 1958.6277 121.6355 0.1170 -1039.9330 0.0000 0.0000 2719.4534 6274.3926 300.3712 3554.9391 6306.3006 302.3004 PRESSURE: 1525600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1525600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1525600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1525600 0 0 0 0 0 0 0 0 0 TIMING: 1525600 CPU: 6097.24, 0.00395106/step Wall: 6097.24, 0.00395106/step, 1.06942 hours remaining, 114.367188 MB of memory in use. ENERGY: 1525600 677.3772 1892.4746 1978.6828 119.3099 -0.2749 -1094.4925 0.0000 0.0000 2789.3114 6362.3886 308.0872 3573.0772 6397.6500 305.5436 PRESSURE: 1525800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1525800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1525800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1525800 0 0 0 0 0 0 0 0 0 TIMING: 1525800 CPU: 6098.03, 0.00395199/step Wall: 6098.03, 0.00395199/step, 1.06945 hours remaining, 114.367188 MB of memory in use. ENERGY: 1525800 640.5564 1906.1246 1962.7864 103.9320 0.3765 -1092.5809 0.0000 0.0000 2747.5053 6268.7003 303.4696 3521.1950 6301.8352 305.7308 PRESSURE: 1526000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1526000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1526000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1526000 0 0 0 0 0 0 0 0 0 TIMING: 1526000 CPU: 6098.83, 0.00396677/step Wall: 6098.83, 0.00396677/step, 1.07323 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1526000 652.4280 1793.5724 1987.6845 112.0414 0.0173 -1064.2563 0.0000 0.0000 2804.8868 6286.3741 309.8076 3481.4873 6322.8487 303.7218 PRESSURE: 1526200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1526200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1526200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1526200 0 0 0 0 0 0 0 0 0 TIMING: 1526200 CPU: 6099.62, 0.00394452/step Wall: 6099.62, 0.00394452/step, 1.06699 hours remaining, 114.367188 MB of memory in use. ENERGY: 1526200 660.9249 1864.3815 1950.5570 109.7502 1.5349 -1092.2093 0.0000 0.0000 2779.6000 6274.5393 307.0146 3494.9393 6308.0046 304.1533 PRESSURE: 1526400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1526400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1526400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1526400 0 0 0 0 0 0 0 0 0 TIMING: 1526400 CPU: 6100.41, 0.0039485/step Wall: 6100.41, 0.0039485/step, 1.06785 hours remaining, 114.367188 MB of memory in use. ENERGY: 1526400 654.2016 1902.9560 1950.6671 93.0771 1.4041 -1094.8206 0.0000 0.0000 2791.5692 6299.0543 308.3366 3507.4852 6335.8380 303.5583 PRESSURE: 1526600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1526600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1526600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1526600 0 0 0 0 0 0 0 0 0 TIMING: 1526600 CPU: 6101.2, 0.00394846/step Wall: 6101.2, 0.00394846/step, 1.06762 hours remaining, 114.367188 MB of memory in use. ENERGY: 1526600 653.5348 1870.0483 1974.6575 118.6892 0.4273 -1076.3535 0.0000 0.0000 2796.8736 6337.8774 308.9225 3541.0038 6371.7471 305.2886 PRESSURE: 1526800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1526800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1526800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1526800 0 0 0 0 0 0 0 0 0 TIMING: 1526800 CPU: 6101.98, 0.00394702/step Wall: 6101.98, 0.00394702/step, 1.06701 hours remaining, 114.367188 MB of memory in use. ENERGY: 1526800 681.5962 1918.1945 1980.8604 107.8648 -0.1996 -1108.4872 0.0000 0.0000 2749.4167 6329.2459 303.6807 3579.8291 6362.7631 305.6039 PRESSURE: 1527000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1527000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1527000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1527000 0 0 0 0 0 0 0 0 0 TIMING: 1527000 CPU: 6102.77, 0.00394892/step Wall: 6102.77, 0.00394892/step, 1.06731 hours remaining, 114.367188 MB of memory in use. ENERGY: 1527000 660.4412 1853.0648 1971.1883 109.1339 1.4149 -1082.4619 0.0000 0.0000 2716.2941 6229.0754 300.0223 3512.7812 6261.3657 303.7902 PRESSURE: 1527200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1527200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1527200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1527200 0 0 0 0 0 0 0 0 0 TIMING: 1527200 CPU: 6103.56, 0.00394543/step Wall: 6103.56, 0.00394543/step, 1.06614 hours remaining, 114.367188 MB of memory in use. ENERGY: 1527200 702.0110 1841.2502 1976.6253 110.2944 1.3209 -1089.1326 0.0000 0.0000 2763.4531 6305.8222 305.2311 3542.3691 6340.7606 302.8921 PRESSURE: 1527400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1527400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1527400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1527400 0 0 0 0 0 0 0 0 0 TIMING: 1527400 CPU: 6104.36, 0.00396523/step Wall: 6104.36, 0.00396523/step, 1.07127 hours remaining, 114.367188 MB of memory in use. ENERGY: 1527400 675.6477 1868.5098 1969.3221 107.2254 1.3200 -1087.1056 0.0000 0.0000 2771.0693 6305.9886 306.0723 3534.9193 6339.3201 305.1696 PRESSURE: 1527600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1527600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1527600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1527600 0 0 0 0 0 0 0 0 0 TIMING: 1527600 CPU: 6105.15, 0.00395681/step Wall: 6105.15, 0.00395681/step, 1.06878 hours remaining, 114.367188 MB of memory in use. ENERGY: 1527600 661.6125 1861.1934 1978.3801 107.4187 -0.6948 -1077.4458 0.0000 0.0000 2727.6594 6258.1235 301.2776 3530.4641 6287.8631 303.8240 PRESSURE: 1527800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1527800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1527800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1527800 0 0 0 0 0 0 0 0 0 TIMING: 1527800 CPU: 6105.94, 0.00395323/step Wall: 6105.94, 0.00395323/step, 1.06759 hours remaining, 114.367188 MB of memory in use. ENERGY: 1527800 629.6932 1867.6941 1977.4867 114.7004 -0.2264 -1064.4586 0.0000 0.0000 2719.7055 6244.5949 300.3990 3524.8894 6277.1656 302.5566 PRESSURE: 1528000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1528000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1528000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1528000 0 0 0 0 0 0 0 0 0 TIMING: 1528000 CPU: 6106.73, 0.00395007/step Wall: 6106.73, 0.00395007/step, 1.06652 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1528000 654.8754 1816.6934 1989.0186 112.8674 0.0855 -1082.7545 0.0000 0.0000 2670.4874 6161.2732 294.9628 3490.7858 6196.0635 298.5521 PRESSURE: 1528200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1528200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1528200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1528200 0 0 0 0 0 0 0 0 0 TIMING: 1528200 CPU: 6107.52, 0.0039459/step Wall: 6107.52, 0.0039459/step, 1.06517 hours remaining, 114.367188 MB of memory in use. ENERGY: 1528200 653.1408 1828.7144 1931.2722 124.7761 0.2809 -1063.9743 0.0000 0.0000 2684.5374 6158.7474 296.5146 3474.2100 6189.1863 297.1588 LDB: ============= START OF LOAD BALANCING ============== 6110.48 LDB: ============== END OF LOAD BALANCING =============== 6110.48 LDB: =============== DONE WITH MIGRATION ================ 6110.48 LDB: ============= START OF LOAD BALANCING ============== 6110.87 LDB: ============== END OF LOAD BALANCING =============== 6110.87 LDB: =============== DONE WITH MIGRATION ================ 6110.87 PRESSURE: 1528400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1528400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1528400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1528400 0 0 0 0 0 0 0 0 0 TIMING: 1528400 CPU: 6108.31, 0.00395635/step Wall: 6108.31, 0.00395635/step, 1.06777 hours remaining, 114.367188 MB of memory in use. ENERGY: 1528400 668.4198 1804.8265 1984.0657 112.0633 -0.2010 -1084.6838 0.0000 0.0000 2681.8634 6166.3540 296.2193 3484.4905 6197.8300 297.0227 PRESSURE: 1528600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1528600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1528600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1528600 0 0 0 0 0 0 0 0 0 TIMING: 1528600 CPU: 6109.1, 0.00395239/step Wall: 6109.1, 0.00395239/step, 1.06649 hours remaining, 114.367188 MB of memory in use. ENERGY: 1528600 662.0535 1812.7296 1964.4940 100.9186 0.3792 -1058.3917 0.0000 0.0000 2777.7030 6259.8862 306.8050 3482.1832 6293.3368 300.9551 PRESSURE: 1528800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1528800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1528800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1528800 0 0 0 0 0 0 0 0 0 TIMING: 1528800 CPU: 6109.89, 0.00395025/step Wall: 6109.89, 0.00395025/step, 1.06569 hours remaining, 114.367188 MB of memory in use. ENERGY: 1528800 626.0096 1814.6970 1966.3533 113.1578 0.9233 -1041.6883 0.0000 0.0000 2783.8308 6263.2835 307.4819 3479.4527 6299.2122 301.5943 PRESSURE: 1529000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1529000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1529000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1529000 0 0 0 0 0 0 0 0 0 TIMING: 1529000 CPU: 6110.68, 0.00394608/step Wall: 6110.68, 0.00394608/step, 1.06435 hours remaining, 114.367188 MB of memory in use. ENERGY: 1529000 646.8778 1870.3919 1953.6493 94.1189 0.3477 -1055.1438 0.0000 0.0000 2721.4100 6231.6518 300.5873 3510.2418 6265.8209 299.7933 PRESSURE: 1529200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1529200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1529200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1529200 0 0 0 0 0 0 0 0 0 TIMING: 1529200 CPU: 6111.47, 0.00395088/step Wall: 6111.47, 0.00395088/step, 1.06542 hours remaining, 114.367188 MB of memory in use. ENERGY: 1529200 666.8258 1903.8313 1972.9903 108.9860 0.3339 -1097.9243 0.0000 0.0000 2666.4722 6221.5152 294.5193 3555.0430 6254.6380 300.6316 PRESSURE: 1529400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1529400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1529400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1529400 0 0 0 0 0 0 0 0 0 TIMING: 1529400 CPU: 6112.26, 0.00394934/step Wall: 6112.26, 0.00394934/step, 1.06479 hours remaining, 114.367188 MB of memory in use. ENERGY: 1529400 656.9021 1867.4054 1978.3622 108.8765 -0.9706 -1108.6495 0.0000 0.0000 2687.1442 6189.0702 296.8026 3501.9260 6221.1633 299.0766 PRESSURE: 1529600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1529600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1529600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1529600 0 0 0 0 0 0 0 0 0 TIMING: 1529600 CPU: 6113.05, 0.00394992/step Wall: 6113.05, 0.00394992/step, 1.06472 hours remaining, 114.367188 MB of memory in use. ENERGY: 1529600 702.1241 1839.4916 1967.8139 100.5500 0.0780 -1087.1303 0.0000 0.0000 2690.2556 6213.1829 297.1462 3522.9273 6246.1258 298.4830 PRESSURE: 1529800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1529800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1529800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1529800 0 0 0 0 0 0 0 0 0 TIMING: 1529800 CPU: 6113.84, 0.00394996/step Wall: 6113.84, 0.00394996/step, 1.06451 hours remaining, 114.367188 MB of memory in use. ENERGY: 1529800 699.3571 1877.3531 1968.5327 115.2361 1.0420 -1142.2869 0.0000 0.0000 2725.4155 6244.6497 301.0297 3519.2342 6276.1698 301.0771 PRESSURE: 1530000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1530000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1530000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1530000 0 0 0 0 0 0 0 0 0 TIMING: 1530000 CPU: 6114.63, 0.00394583/step Wall: 6114.63, 0.00394583/step, 1.06318 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1530000 668.5797 1887.1331 1968.4013 105.4291 -0.5882 -1090.4500 0.0000 0.0000 2752.9323 6291.4372 304.0690 3538.5049 6324.7022 303.0569 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1530000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1530000 WRITING COORDINATES TO RESTART FILE AT STEP 1530000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1530000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1530200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1530200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1530200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1530200 0 0 0 0 0 0 0 0 0 TIMING: 1530200 CPU: 6115.79, 0.00578892/step Wall: 6115.79, 0.00578892/step, 1.55947 hours remaining, 114.367188 MB of memory in use. ENERGY: 1530200 640.3748 1818.3152 1979.8691 103.8872 -0.3981 -1054.3522 0.0000 0.0000 2762.6673 6250.3634 305.1443 3487.6962 6287.6536 302.6168 PRESSURE: 1530400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1530400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1530400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1530400 0 0 0 0 0 0 0 0 0 TIMING: 1530400 CPU: 6116.57, 0.00394531/step Wall: 6116.57, 0.00394531/step, 1.0626 hours remaining, 114.367188 MB of memory in use. ENERGY: 1530400 651.8669 1855.4461 1952.1140 122.2378 -0.1850 -1076.2847 0.0000 0.0000 2795.9220 6301.1170 308.8174 3505.1950 6336.7809 304.8201 PRESSURE: 1530600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1530600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1530600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1530600 0 0 0 0 0 0 0 0 0 TIMING: 1530600 CPU: 6117.37, 0.00395097/step Wall: 6117.37, 0.00395097/step, 1.06391 hours remaining, 114.367188 MB of memory in use. ENERGY: 1530600 637.9298 1812.3920 1982.4393 121.4530 0.6772 -1103.4570 0.0000 0.0000 2810.0069 6261.4412 310.3731 3451.4343 6293.9383 304.7321 PRESSURE: 1530800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1530800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1530800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1530800 0 0 0 0 0 0 0 0 0 TIMING: 1530800 CPU: 6118.15, 0.00394968/step Wall: 6118.15, 0.00394968/step, 1.06334 hours remaining, 114.367188 MB of memory in use. ENERGY: 1530800 687.7260 1811.9575 1966.5585 111.8733 1.1635 -1048.6269 0.0000 0.0000 2710.5085 6241.1603 299.3832 3530.6518 6271.7187 300.9357 PRESSURE: 1531000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1531000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1531000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1531000 0 0 0 0 0 0 0 0 0 TIMING: 1531000 CPU: 6118.94, 0.00394991/step Wall: 6118.94, 0.00394991/step, 1.06318 hours remaining, 114.367188 MB of memory in use. ENERGY: 1531000 658.1892 1868.7453 1985.1331 105.1341 0.1144 -1085.9689 0.0000 0.0000 2689.2070 6220.5542 297.0304 3531.3472 6251.8583 299.4502 PRESSURE: 1531200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1531200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1531200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1531200 0 0 0 0 0 0 0 0 0 TIMING: 1531200 CPU: 6119.73, 0.00394539/step Wall: 6119.73, 0.00394539/step, 1.06175 hours remaining, 114.367188 MB of memory in use. ENERGY: 1531200 622.9567 1845.4171 1976.2031 114.7305 1.4935 -1072.4595 0.0000 0.0000 2682.5891 6170.9305 296.2994 3488.3414 6203.6756 299.5588 PRESSURE: 1531400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1531400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1531400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1531400 0 0 0 0 0 0 0 0 0 TIMING: 1531400 CPU: 6120.52, 0.00394838/step Wall: 6120.52, 0.00394838/step, 1.06233 hours remaining, 114.367188 MB of memory in use. ENERGY: 1531400 631.6069 1798.4995 1978.2725 108.4308 0.9397 -1068.9425 0.0000 0.0000 2729.9066 6178.7135 301.5258 3448.8069 6214.3426 297.5746 PRESSURE: 1531600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1531600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1531600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1531600 0 0 0 0 0 0 0 0 0 TIMING: 1531600 CPU: 6121.31, 0.00395067/step Wall: 6121.31, 0.00395067/step, 1.06273 hours remaining, 114.367188 MB of memory in use. ENERGY: 1531600 649.3484 1843.9206 1969.7316 106.8959 0.1250 -1093.0807 0.0000 0.0000 2678.6949 6155.6358 295.8693 3476.9409 6189.2137 299.3283 PRESSURE: 1531800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1531800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1531800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1531800 0 0 0 0 0 0 0 0 0 TIMING: 1531800 CPU: 6122.1, 0.00394984/step Wall: 6122.1, 0.00394984/step, 1.06229 hours remaining, 114.367188 MB of memory in use. ENERGY: 1531800 617.9373 1810.8392 1975.6030 106.0632 1.3332 -1051.0980 0.0000 0.0000 2702.1802 6162.8582 298.4633 3460.6780 6195.7832 296.9653 PRESSURE: 1532000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1532000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1532000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1532000 0 0 0 0 0 0 0 0 0 TIMING: 1532000 CPU: 6122.89, 0.0039503/step Wall: 6122.89, 0.0039503/step, 1.06219 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1532000 621.6417 1876.5254 1950.9839 98.6069 0.4683 -1089.1704 0.0000 0.0000 2710.3148 6169.3706 299.3618 3459.0557 6204.8573 297.0886 PRESSURE: 1532200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1532200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1532200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1532200 0 0 0 0 0 0 0 0 0 TIMING: 1532200 CPU: 6123.68, 0.00394625/step Wall: 6123.68, 0.00394625/step, 1.06088 hours remaining, 114.367188 MB of memory in use. ENERGY: 1532200 665.6116 1874.4520 1976.0288 100.4469 0.3716 -1138.8152 0.0000 0.0000 2668.2405 6146.3361 294.7146 3478.0956 6178.7791 296.0204 LDB: ============= START OF LOAD BALANCING ============== 6126.64 LDB: ============== END OF LOAD BALANCING =============== 6126.64 LDB: =============== DONE WITH MIGRATION ================ 6126.64 LDB: ============= START OF LOAD BALANCING ============== 6127.04 LDB: ============== END OF LOAD BALANCING =============== 6127.04 LDB: =============== DONE WITH MIGRATION ================ 6127.04 PRESSURE: 1532400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1532400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1532400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1532400 0 0 0 0 0 0 0 0 0 TIMING: 1532400 CPU: 6124.47, 0.00395481/step Wall: 6124.47, 0.00395481/step, 1.06296 hours remaining, 114.367188 MB of memory in use. ENERGY: 1532400 663.0997 1800.5153 1957.9966 105.3124 0.5132 -1116.1871 0.0000 0.0000 2686.2041 6097.4543 296.6987 3411.2501 6132.9771 294.8145 PRESSURE: 1532600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1532600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1532600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1532600 0 0 0 0 0 0 0 0 0 TIMING: 1532600 CPU: 6125.26, 0.0039513/step Wall: 6125.26, 0.0039513/step, 1.0618 hours remaining, 114.367188 MB of memory in use. ENERGY: 1532600 655.5472 1777.3953 1974.2939 90.5484 0.7732 -1043.6768 0.0000 0.0000 2656.8993 6111.7805 293.4619 3454.8811 6145.6650 295.0919 PRESSURE: 1532800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1532800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1532800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1532800 0 0 0 0 0 0 0 0 0 TIMING: 1532800 CPU: 6126.29, 0.00511265/step Wall: 6126.29, 0.00511265/step, 1.3736 hours remaining, 114.367188 MB of memory in use. ENERGY: 1532800 663.4960 1764.1021 1972.7300 97.6568 0.9896 -1095.1552 0.0000 0.0000 2716.7795 6120.5988 300.0759 3403.8193 6152.6229 294.5423 PRESSURE: 1533000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1533000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1533000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1533000 0 0 0 0 0 0 0 0 0 TIMING: 1533000 CPU: 6127.08, 0.00397619/step Wall: 6127.08, 0.00397619/step, 1.06805 hours remaining, 114.367188 MB of memory in use. ENERGY: 1533000 665.9825 1786.8181 1977.3243 96.8466 0.8014 -1063.2588 0.0000 0.0000 2674.1689 6138.6830 295.3694 3464.5141 6170.0246 293.0752 PRESSURE: 1533200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1533200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1533200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1533200 0 0 0 0 0 0 0 0 0 TIMING: 1533200 CPU: 6127.87, 0.00395024/step Wall: 6127.87, 0.00395024/step, 1.06086 hours remaining, 114.367188 MB of memory in use. ENERGY: 1533200 630.7812 1804.0019 1990.8551 111.1951 -0.0458 -1070.4767 0.0000 0.0000 2628.7920 6095.1027 290.3574 3466.3107 6125.9803 293.2381 PRESSURE: 1533400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1533400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1533400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1533400 0 0 0 0 0 0 0 0 0 TIMING: 1533400 CPU: 6128.66, 0.00394599/step Wall: 6128.66, 0.00394599/step, 1.0595 hours remaining, 114.367188 MB of memory in use. ENERGY: 1533400 657.0093 1791.6206 2006.5141 109.2918 0.3259 -1099.2123 0.0000 0.0000 2666.5898 6132.1393 294.5323 3465.5495 6163.5957 294.6746 PRESSURE: 1533600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1533600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1533600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1533600 0 0 0 0 0 0 0 0 0 TIMING: 1533600 CPU: 6129.45, 0.00395349/step Wall: 6129.45, 0.00395349/step, 1.06129 hours remaining, 114.367188 MB of memory in use. ENERGY: 1533600 659.5478 1794.8275 1984.4725 102.3840 0.4807 -1055.7830 0.0000 0.0000 2653.2196 6139.1491 293.0555 3485.9295 6170.3198 295.5335 PRESSURE: 1533800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1533800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1533800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1533800 0 0 0 0 0 0 0 0 0 TIMING: 1533800 CPU: 6130.24, 0.00395103/step Wall: 6130.24, 0.00395103/step, 1.06041 hours remaining, 114.367188 MB of memory in use. ENERGY: 1533800 636.5932 1814.6371 1984.8344 119.3024 1.2594 -1100.3307 0.0000 0.0000 2668.0600 6124.3559 294.6947 3456.2959 6157.9874 295.1079 PRESSURE: 1534000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1534000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1534000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1534000 0 0 0 0 0 0 0 0 0 TIMING: 1534000 CPU: 6131.03, 0.00395111/step Wall: 6131.03, 0.00395111/step, 1.06021 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1534000 660.9975 1831.3280 1982.7123 109.2857 1.3876 -1084.8106 0.0000 0.0000 2664.7731 6165.6734 294.3316 3500.9004 6198.4794 296.5065 PRESSURE: 1534200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1534200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1534200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1534200 0 0 0 0 0 0 0 0 0 TIMING: 1534200 CPU: 6131.82, 0.00394956/step Wall: 6131.82, 0.00394956/step, 1.05958 hours remaining, 114.367188 MB of memory in use. ENERGY: 1534200 650.5822 1886.9446 1981.7503 107.8100 0.1257 -1102.0818 0.0000 0.0000 2677.2685 6202.3995 295.7118 3525.1310 6231.1175 298.2672 PRESSURE: 1534400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1534400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1534400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1534400 0 0 0 0 0 0 0 0 0 TIMING: 1534400 CPU: 6132.61, 0.00394532/step Wall: 6132.61, 0.00394532/step, 1.05822 hours remaining, 114.367188 MB of memory in use. ENERGY: 1534400 651.4693 1901.9601 1982.6782 116.6019 1.3945 -1070.6892 0.0000 0.0000 2667.0082 6250.4230 294.5785 3583.4147 6279.5508 300.4548 PRESSURE: 1534600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1534600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1534600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1534600 0 0 0 0 0 0 0 0 0 TIMING: 1534600 CPU: 6133.4, 0.00394997/step Wall: 6133.4, 0.00394997/step, 1.05925 hours remaining, 114.367188 MB of memory in use. ENERGY: 1534600 649.5896 1837.3875 1965.3534 121.6960 0.1031 -1068.7632 0.0000 0.0000 2707.5329 6212.8993 299.0545 3505.3664 6245.3963 302.6553 PRESSURE: 1534800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1534800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1534800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1534800 0 0 0 0 0 0 0 0 0 TIMING: 1534800 CPU: 6134.19, 0.00395016/step Wall: 6134.19, 0.00395016/step, 1.05908 hours remaining, 114.367188 MB of memory in use. ENERGY: 1534800 660.8441 1838.2186 2004.0184 111.7854 0.6172 -1060.3522 0.0000 0.0000 2656.5772 6211.7086 293.4264 3555.1314 6242.4607 299.3677 PRESSURE: 1535000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1535000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1535000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1535000 0 0 0 0 0 0 0 0 0 TIMING: 1535000 CPU: 6134.98, 0.00395108/step Wall: 6134.98, 0.00395108/step, 1.05911 hours remaining, 114.367188 MB of memory in use. ENERGY: 1535000 647.3559 1843.3103 1975.6924 120.7688 0.6532 -1062.0877 0.0000 0.0000 2654.0173 6179.7101 293.1436 3525.6928 6213.2036 298.7778 PRESSURE: 1535200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1535200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1535200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1535200 0 0 0 0 0 0 0 0 0 TIMING: 1535200 CPU: 6135.77, 0.00394772/step Wall: 6135.77, 0.00394772/step, 1.05799 hours remaining, 114.367188 MB of memory in use. ENERGY: 1535200 679.3787 1823.9513 1979.2248 108.8632 -0.8454 -1067.3777 0.0000 0.0000 2721.8166 6245.0115 300.6322 3523.1949 6279.4074 298.6411 PRESSURE: 1535400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1535400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1535400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1535400 0 0 0 0 0 0 0 0 0 TIMING: 1535400 CPU: 6136.56, 0.00394591/step Wall: 6136.56, 0.00394591/step, 1.05729 hours remaining, 114.367188 MB of memory in use. ENERGY: 1535400 671.0305 1839.3213 1981.5037 113.4203 0.2589 -1096.2618 0.0000 0.0000 2719.1397 6228.4126 300.3366 3509.2729 6263.7581 300.3074 PRESSURE: 1535600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1535600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1535600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1535600 0 0 0 0 0 0 0 0 0 TIMING: 1535600 CPU: 6137.35, 0.00395015/step Wall: 6137.35, 0.00395015/step, 1.0582 hours remaining, 114.367188 MB of memory in use. ENERGY: 1535600 705.3557 1809.8156 1970.5148 110.8042 -0.4330 -1067.3852 0.0000 0.0000 2730.6963 6259.3684 301.6130 3528.6721 6293.4693 301.1895 PRESSURE: 1535800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1535800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1535800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1535800 0 0 0 0 0 0 0 0 0 TIMING: 1535800 CPU: 6138.14, 0.00394926/step Wall: 6138.14, 0.00394926/step, 1.05774 hours remaining, 114.367188 MB of memory in use. ENERGY: 1535800 656.1476 1858.1062 1959.6476 100.6294 -1.5463 -1068.7731 0.0000 0.0000 2734.5910 6238.8024 302.0432 3504.2114 6269.3161 301.2841 PRESSURE: 1536000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1536000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1536000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1536000 0 0 0 0 0 0 0 0 0 TIMING: 1536000 CPU: 6138.93, 0.00396579/step Wall: 6138.93, 0.00396579/step, 1.06195 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1536000 655.1840 1827.3001 1958.3071 100.8059 -1.2664 -1077.4016 0.0000 0.0000 2711.9339 6174.8630 299.5407 3462.9291 6209.9789 300.0412 PRESSURE: 1536200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1536200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1536200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1536200 0 0 0 0 0 0 0 0 0 TIMING: 1536200 CPU: 6139.72, 0.00394495/step Wall: 6139.72, 0.00394495/step, 1.05615 hours remaining, 114.367188 MB of memory in use. ENERGY: 1536200 633.1234 1801.3844 1997.5530 119.8528 -0.3832 -1087.9577 0.0000 0.0000 2680.8136 6144.3863 296.1033 3463.5727 6177.0711 296.8525 LDB: ============= START OF LOAD BALANCING ============== 6142.68 LDB: ============== END OF LOAD BALANCING =============== 6142.68 LDB: =============== DONE WITH MIGRATION ================ 6142.68 LDB: ============= START OF LOAD BALANCING ============== 6143.08 LDB: ============== END OF LOAD BALANCING =============== 6143.08 LDB: =============== DONE WITH MIGRATION ================ 6143.08 PRESSURE: 1536400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1536400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1536400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1536400 0 0 0 0 0 0 0 0 0 TIMING: 1536400 CPU: 6140.51, 0.00395436/step Wall: 6140.51, 0.00395436/step, 1.05845 hours remaining, 114.367188 MB of memory in use. ENERGY: 1536400 665.2997 1810.1398 1955.8449 104.4720 0.0766 -1113.2930 0.0000 0.0000 2695.7880 6118.3280 297.7573 3422.5400 6150.8816 296.0876 PRESSURE: 1536600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1536600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1536600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1536600 0 0 0 0 0 0 0 0 0 TIMING: 1536600 CPU: 6141.3, 0.0039497/step Wall: 6141.3, 0.0039497/step, 1.05698 hours remaining, 114.367188 MB of memory in use. ENERGY: 1536600 656.5552 1821.6137 1955.2159 107.3202 -0.5101 -1077.4273 0.0000 0.0000 2695.2043 6157.9719 297.6928 3462.7676 6192.1587 297.3326 PRESSURE: 1536800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1536800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1536800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1536800 0 0 0 0 0 0 0 0 0 TIMING: 1536800 CPU: 6142.09, 0.00395077/step Wall: 6142.09, 0.00395077/step, 1.05705 hours remaining, 114.367188 MB of memory in use. ENERGY: 1536800 625.9572 1855.8548 1950.6751 107.4814 -0.0865 -1111.5398 0.0000 0.0000 2730.3337 6158.6758 301.5730 3428.3421 6191.0834 298.0252 PRESSURE: 1537000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1537000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1537000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1537000 0 0 0 0 0 0 0 0 0 TIMING: 1537000 CPU: 6142.88, 0.00395066/step Wall: 6142.88, 0.00395066/step, 1.0568 hours remaining, 114.367188 MB of memory in use. ENERGY: 1537000 663.8473 1826.9217 1943.0661 109.0390 -1.2877 -1082.5902 0.0000 0.0000 2680.8580 6139.8542 296.1082 3458.9962 6169.2747 297.1712 PRESSURE: 1537200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1537200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1537200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1537200 0 0 0 0 0 0 0 0 0 TIMING: 1537200 CPU: 6143.67, 0.00394691/step Wall: 6143.67, 0.00394691/step, 1.05558 hours remaining, 114.367188 MB of memory in use. ENERGY: 1537200 639.0520 1828.8214 1992.0043 113.5759 -0.4461 -1110.5518 0.0000 0.0000 2674.2553 6136.7110 295.3789 3462.4557 6170.1493 296.3188 PRESSURE: 1537400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1537400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1537400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1537400 0 0 0 0 0 0 0 0 0 TIMING: 1537400 CPU: 6144.46, 0.00395223/step Wall: 6144.46, 0.00395223/step, 1.05678 hours remaining, 114.367188 MB of memory in use. ENERGY: 1537400 607.1145 1806.1414 1962.0209 111.1547 -1.4760 -1065.7691 0.0000 0.0000 2658.8751 6078.0615 293.6802 3419.1864 6111.8183 294.5491 PRESSURE: 1537600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1537600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1537600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1537600 0 0 0 0 0 0 0 0 0 TIMING: 1537600 CPU: 6145.25, 0.00395083/step Wall: 6145.25, 0.00395083/step, 1.05619 hours remaining, 114.367188 MB of memory in use. ENERGY: 1537600 628.7951 1824.7247 1967.4361 103.8887 0.0742 -1103.5267 0.0000 0.0000 2656.0736 6077.4657 293.3707 3421.3921 6109.2895 292.3400 PRESSURE: 1537800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1537800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1537800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1537800 0 0 0 0 0 0 0 0 0 TIMING: 1537800 CPU: 6146.04, 0.00395209/step Wall: 6146.04, 0.00395209/step, 1.05631 hours remaining, 114.367188 MB of memory in use. ENERGY: 1537800 648.7956 1832.5067 1982.5771 110.0447 0.3286 -1120.7156 0.0000 0.0000 2656.1276 6109.6647 293.3767 3453.5371 6141.7294 292.5179 PRESSURE: 1538000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1538000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1538000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1538000 0 0 0 0 0 0 0 0 0 TIMING: 1538000 CPU: 6146.83, 0.0039509/step Wall: 6146.83, 0.0039509/step, 1.05577 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1538000 644.9015 1819.3455 1974.0072 104.3284 -0.1706 -1059.9236 0.0000 0.0000 2702.7191 6185.2075 298.5229 3482.4884 6217.6311 296.8879 PRESSURE: 1538200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1538200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1538200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1538200 0 0 0 0 0 0 0 0 0 TIMING: 1538200 CPU: 6147.62, 0.0039472/step Wall: 6147.62, 0.0039472/step, 1.05456 hours remaining, 114.367188 MB of memory in use. ENERGY: 1538200 635.7931 1871.0353 1948.2611 107.0176 -0.3080 -1098.8965 0.0000 0.0000 2696.6742 6159.5767 297.8552 3462.9025 6189.7358 297.6077 PRESSURE: 1538400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1538400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1538400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1538400 0 0 0 0 0 0 0 0 0 TIMING: 1538400 CPU: 6148.41, 0.00395281/step Wall: 6148.41, 0.00395282/step, 1.05584 hours remaining, 114.367188 MB of memory in use. ENERGY: 1538400 634.4038 1808.4256 1970.0647 114.4946 -0.4047 -1034.6455 0.0000 0.0000 2632.6581 6124.9965 290.7844 3492.3384 6156.3870 295.9914 PRESSURE: 1538600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1538600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1538600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1538600 0 0 0 0 0 0 0 0 0 TIMING: 1538600 CPU: 6149.2, 0.00395297/step Wall: 6149.2, 0.00395297/step, 1.05566 hours remaining, 114.367188 MB of memory in use. ENERGY: 1538600 633.0336 1851.6622 2004.1489 99.2098 0.4457 -1097.3849 0.0000 0.0000 2658.6488 6149.7641 293.6552 3491.1153 6181.3357 294.1834 PRESSURE: 1538800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1538800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1538800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1538800 0 0 0 0 0 0 0 0 0 TIMING: 1538800 CPU: 6150, 0.00395133/step Wall: 6150, 0.00395133/step, 1.055 hours remaining, 114.367188 MB of memory in use. ENERGY: 1538800 640.1274 1818.1121 1962.7597 102.8028 0.9895 -1089.6816 0.0000 0.0000 2718.6591 6153.7690 300.2835 3435.1099 6189.1311 295.7886 PRESSURE: 1539000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1539000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1539000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1539000 0 0 0 0 0 0 0 0 0 TIMING: 1539000 CPU: 6150.78, 0.00394596/step Wall: 6150.78, 0.00394596/step, 1.05335 hours remaining, 114.367188 MB of memory in use. ENERGY: 1539000 644.0921 1760.8644 1965.2197 103.7927 -0.8286 -1080.9530 0.0000 0.0000 2735.8068 6127.9941 302.1775 3392.1873 6165.1384 295.2654 PRESSURE: 1539200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1539200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1539200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1539200 0 0 0 0 0 0 0 0 0 TIMING: 1539200 CPU: 6151.57, 0.00395171/step Wall: 6151.57, 0.00395171/step, 1.05467 hours remaining, 114.367188 MB of memory in use. ENERGY: 1539200 635.5165 1815.4869 1975.1852 106.0642 -0.2982 -1084.5268 0.0000 0.0000 2704.6835 6152.1114 298.7398 3447.4279 6184.4615 297.2536 PRESSURE: 1539400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1539400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1539400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1539400 0 0 0 0 0 0 0 0 0 TIMING: 1539400 CPU: 6152.36, 0.00395111/step Wall: 6152.36, 0.00395111/step, 1.05429 hours remaining, 114.367188 MB of memory in use. ENERGY: 1539400 661.4761 1791.3973 1980.9080 99.3600 0.1426 -1090.1070 0.0000 0.0000 2746.0073 6189.1843 303.3042 3443.1770 6221.2319 296.7337 PRESSURE: 1539600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1539600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1539600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1539600 0 0 0 0 0 0 0 0 0 TIMING: 1539600 CPU: 6153.16, 0.00395217/step Wall: 6153.16, 0.00395217/step, 1.05435 hours remaining, 114.367188 MB of memory in use. ENERGY: 1539600 655.5377 1846.6741 1990.4791 114.9864 -0.6593 -1092.4352 0.0000 0.0000 2699.4465 6214.0292 298.1614 3514.5828 6246.4695 300.0514 PRESSURE: 1539800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1539800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1539800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1539800 0 0 0 0 0 0 0 0 0 TIMING: 1539800 CPU: 6153.95, 0.00395094/step Wall: 6153.95, 0.00395094/step, 1.0538 hours remaining, 114.367188 MB of memory in use. ENERGY: 1539800 669.2384 1845.8820 1991.8492 113.2113 -0.8865 -1126.8477 0.0000 0.0000 2747.9196 6240.3662 303.5154 3492.4466 6275.7307 300.2541 PRESSURE: 1540000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1540000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1540000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1540000 0 0 0 0 0 0 0 0 0 TIMING: 1540000 CPU: 6154.73, 0.00394508/step Wall: 6154.73, 0.00394508/step, 1.05202 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1540000 659.4751 1850.9750 1982.7271 107.7751 0.1916 -1074.8738 0.0000 0.0000 2693.9896 6220.2596 297.5587 3526.2700 6252.7349 301.3675 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1540000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1540000 WRITING COORDINATES TO RESTART FILE AT STEP 1540000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1540000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1540200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1540200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1540200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1540200 0 0 0 0 0 0 0 0 0 TIMING: 1540200 CPU: 6155.92, 0.00590916/step Wall: 6155.92, 0.00590916/step, 1.57545 hours remaining, 114.367188 MB of memory in use. ENERGY: 1540200 632.8669 1813.2244 1991.8443 112.5254 2.2679 -1051.3097 0.0000 0.0000 2730.6296 6232.0487 301.6056 3501.4191 6264.7421 301.0151 LDB: ============= START OF LOAD BALANCING ============== 6158.88 LDB: ============== END OF LOAD BALANCING =============== 6158.88 LDB: =============== DONE WITH MIGRATION ================ 6158.88 LDB: ============= START OF LOAD BALANCING ============== 6159.27 LDB: ============== END OF LOAD BALANCING =============== 6159.27 LDB: =============== DONE WITH MIGRATION ================ 6159.27 PRESSURE: 1540400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1540400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1540400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1540400 0 0 0 0 0 0 0 0 0 TIMING: 1540400 CPU: 6156.71, 0.00395123/step Wall: 6156.71, 0.00395123/step, 1.05322 hours remaining, 114.367188 MB of memory in use. ENERGY: 1540400 656.2592 1886.0770 1981.2225 106.7025 0.8729 -1081.7337 0.0000 0.0000 2715.7620 6265.1625 299.9635 3549.4004 6298.7999 302.8902 PRESSURE: 1540600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1540600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1540600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1540600 0 0 0 0 0 0 0 0 0 TIMING: 1540600 CPU: 6157.5, 0.0039508/step Wall: 6157.5, 0.0039508/step, 1.05289 hours remaining, 114.367188 MB of memory in use. ENERGY: 1540600 686.5753 1874.4839 1993.8275 107.0974 0.8479 -1107.4308 0.0000 0.0000 2709.2117 6264.6128 299.2400 3555.4011 6298.6808 301.9977 PRESSURE: 1540800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1540800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1540800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1540800 0 0 0 0 0 0 0 0 0 TIMING: 1540800 CPU: 6158.29, 0.00395169/step Wall: 6158.29, 0.00395169/step, 1.05291 hours remaining, 114.367188 MB of memory in use. ENERGY: 1540800 677.3588 1801.2924 1958.1883 112.1054 1.8007 -1081.3687 0.0000 0.0000 2782.0723 6251.4492 307.2876 3469.3769 6285.9530 301.1116 PRESSURE: 1541000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1541000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1541000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1541000 0 0 0 0 0 0 0 0 0 TIMING: 1541000 CPU: 6159.08, 0.00395127/step Wall: 6159.08, 0.00395127/step, 1.05257 hours remaining, 114.367188 MB of memory in use. ENERGY: 1541000 666.9060 1884.3351 1975.2782 119.7048 -0.0099 -1097.2064 0.0000 0.0000 2714.9487 6263.9565 299.8736 3549.0078 6298.0447 301.9051 PRESSURE: 1541200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1541200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1541200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1541200 0 0 0 0 0 0 0 0 0 TIMING: 1541200 CPU: 6159.87, 0.00395159/step Wall: 6159.87, 0.00395159/step, 1.05244 hours remaining, 114.367188 MB of memory in use. ENERGY: 1541200 670.7487 1888.1410 1969.9757 104.0987 -0.6564 -1086.3754 0.0000 0.0000 2751.1960 6297.1283 303.8773 3545.9323 6330.6846 304.1455 PRESSURE: 1541400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1541400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1541400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1541400 0 0 0 0 0 0 0 0 0 TIMING: 1541400 CPU: 6160.66, 0.00394616/step Wall: 6160.66, 0.00394616/step, 1.05077 hours remaining, 114.367188 MB of memory in use. ENERGY: 1541400 655.7878 1860.2614 2018.6014 115.2233 1.1535 -1052.1911 0.0000 0.0000 2688.0342 6286.8705 296.9009 3598.8363 6318.3965 301.9214 PRESSURE: 1541600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1541600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1541600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1541600 0 0 0 0 0 0 0 0 0 TIMING: 1541600 CPU: 6161.45, 0.00395306/step Wall: 6161.45, 0.00395306/step, 1.05239 hours remaining, 114.367188 MB of memory in use. ENERGY: 1541600 652.0583 1875.5313 1991.5069 113.7750 1.2081 -1085.3779 0.0000 0.0000 2713.7505 6262.4521 299.7413 3548.7017 6296.1277 301.9641 PRESSURE: 1541800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1541800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1541800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1541800 0 0 0 0 0 0 0 0 0 TIMING: 1541800 CPU: 6162.24, 0.00395241/step Wall: 6162.24, 0.00395241/step, 1.052 hours remaining, 114.367188 MB of memory in use. ENERGY: 1541800 656.2219 1804.7055 1984.7876 108.1036 0.9340 -1012.1383 0.0000 0.0000 2730.2952 6272.9095 301.5687 3542.6143 6306.1703 302.0286 PRESSURE: 1542000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1542000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1542000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1542000 0 0 0 0 0 0 0 0 0 TIMING: 1542000 CPU: 6163.03, 0.00395209/step Wall: 6163.03, 0.00395209/step, 1.05169 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1542000 649.2908 1842.7200 1991.9915 112.2049 1.3071 -1082.8031 0.0000 0.0000 2699.1986 6213.9097 298.1340 3514.7111 6246.6734 300.2881 PRESSURE: 1542200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1542200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1542200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1542200 0 0 0 0 0 0 0 0 0 TIMING: 1542200 CPU: 6163.82, 0.00396214/step Wall: 6163.82, 0.00396214/step, 1.05415 hours remaining, 114.367188 MB of memory in use. ENERGY: 1542200 620.3789 1850.0973 1983.1320 109.7469 -0.5106 -1089.4017 0.0000 0.0000 2711.8881 6185.3307 299.5356 3473.4427 6218.3276 297.8962 PRESSURE: 1542400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1542400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1542400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1542400 0 0 0 0 0 0 0 0 0 TIMING: 1542400 CPU: 6164.61, 0.00395984/step Wall: 6164.61, 0.00395984/step, 1.05332 hours remaining, 114.367188 MB of memory in use. ENERGY: 1542400 642.0344 1789.8374 1987.4546 122.0898 -0.5829 -1078.9483 0.0000 0.0000 2718.8842 6180.7693 300.3083 3461.8851 6213.5445 298.8684 PRESSURE: 1542600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1542600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1542600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1542600 0 0 0 0 0 0 0 0 0 TIMING: 1542600 CPU: 6165.4, 0.00395692/step Wall: 6165.4, 0.00395692/step, 1.05232 hours remaining, 114.367188 MB of memory in use. ENERGY: 1542600 654.0731 1863.1456 1978.5715 113.4891 0.4765 -1094.1591 0.0000 0.0000 2670.9211 6186.5178 295.0107 3515.5967 6220.6795 299.1948 PRESSURE: 1542800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1542800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1542800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1542800 0 0 0 0 0 0 0 0 0 TIMING: 1542800 CPU: 6166.19, 0.00395136/step Wall: 6166.19, 0.00395136/step, 1.05062 hours remaining, 114.367188 MB of memory in use. ENERGY: 1542800 660.6382 1854.6949 1986.2862 109.6321 0.3814 -1088.7800 0.0000 0.0000 2687.3293 6210.1821 296.8230 3522.8529 6241.1849 299.3061 PRESSURE: 1543000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1543000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1543000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1543000 0 0 0 0 0 0 0 0 0 TIMING: 1543000 CPU: 6166.98, 0.00395109/step Wall: 6166.98, 0.00395109/step, 1.05033 hours remaining, 114.367188 MB of memory in use. ENERGY: 1543000 679.3695 1829.3827 1967.9984 106.7938 0.3049 -1092.1231 0.0000 0.0000 2735.0428 6226.7689 302.0931 3491.7260 6263.0686 301.1642 PRESSURE: 1543200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1543200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1543200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1543200 0 0 0 0 0 0 0 0 0 TIMING: 1543200 CPU: 6167.77, 0.00394609/step Wall: 6167.77, 0.00394609/step, 1.04878 hours remaining, 114.367188 MB of memory in use. ENERGY: 1543200 661.5197 1841.7831 1942.9016 99.2368 0.5409 -1088.5455 0.0000 0.0000 2682.7069 6140.1435 296.3124 3457.4366 6177.2725 296.6131 PRESSURE: 1543400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1543400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1543400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1543400 0 0 0 0 0 0 0 0 0 TIMING: 1543400 CPU: 6168.56, 0.00395116/step Wall: 6168.56, 0.00395116/step, 1.04991 hours remaining, 114.367188 MB of memory in use. ENERGY: 1543400 669.9138 1824.2967 1958.1957 113.7201 0.2695 -1065.2398 0.0000 0.0000 2657.3085 6158.4645 293.5071 3501.1560 6190.9838 295.5460 PRESSURE: 1543600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1543600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1543600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1543600 0 0 0 0 0 0 0 0 0 TIMING: 1543600 CPU: 6169.35, 0.00395355/step Wall: 6169.35, 0.00395355/step, 1.05033 hours remaining, 114.367188 MB of memory in use. ENERGY: 1543600 656.0374 1818.9688 1977.0182 116.1706 0.3367 -1090.2685 0.0000 0.0000 2694.8002 6173.0635 297.6482 3478.2633 6208.7061 296.9388 PRESSURE: 1543800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1543800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1543800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1543800 0 0 0 0 0 0 0 0 0 TIMING: 1543800 CPU: 6170.14, 0.00394943/step Wall: 6170.14, 0.00394943/step, 1.04901 hours remaining, 114.367188 MB of memory in use. ENERGY: 1543800 635.6103 1792.1368 1989.7845 115.4306 -0.0818 -1076.5801 0.0000 0.0000 2723.6675 6179.9678 300.8367 3456.3003 6214.6861 297.8774 PRESSURE: 1544000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1544000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1544000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1544000 0 0 0 0 0 0 0 0 0 TIMING: 1544000 CPU: 6170.93, 0.00394899/step Wall: 6170.93, 0.00394899/step, 1.04868 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1544000 654.5547 1813.8202 1970.9137 97.0817 -0.4654 -1097.7399 0.0000 0.0000 2668.8465 6107.0114 294.7815 3438.1650 6138.8276 296.5504 PRESSURE: 1544200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1544200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1544200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1544200 0 0 0 0 0 0 0 0 0 TIMING: 1544200 CPU: 6171.72, 0.00394614/step Wall: 6171.72, 0.00394614/step, 1.0477 hours remaining, 114.367188 MB of memory in use. ENERGY: 1544200 630.8203 1768.5809 1981.5613 109.6283 -0.3583 -1083.4255 0.0000 0.0000 2677.6757 6084.4827 295.7567 3406.8069 6120.4844 293.9590 LDB: ============= START OF LOAD BALANCING ============== 6174.68 LDB: ============== END OF LOAD BALANCING =============== 6174.68 LDB: =============== DONE WITH MIGRATION ================ 6174.68 LDB: ============= START OF LOAD BALANCING ============== 6175.08 LDB: ============== END OF LOAD BALANCING =============== 6175.08 LDB: =============== DONE WITH MIGRATION ================ 6175.08 PRESSURE: 1544400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1544400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1544400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1544400 0 0 0 0 0 0 0 0 0 TIMING: 1544400 CPU: 6172.51, 0.00395466/step Wall: 6172.51, 0.00395466/step, 1.04974 hours remaining, 114.367188 MB of memory in use. ENERGY: 1544400 643.5431 1838.6011 1991.5186 106.3176 0.0855 -1111.0156 0.0000 0.0000 2661.7517 6130.8021 293.9979 3469.0504 6162.2537 295.3582 PRESSURE: 1544600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1544600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1544600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1544600 0 0 0 0 0 0 0 0 0 TIMING: 1544600 CPU: 6173.3, 0.00395072/step Wall: 6173.3, 0.00395072/step, 1.04848 hours remaining, 114.367188 MB of memory in use. ENERGY: 1544600 644.5265 1862.3578 1971.1937 112.0877 0.3232 -1099.4633 0.0000 0.0000 2668.6721 6159.6977 294.7623 3491.0256 6190.1236 296.9432 PRESSURE: 1544800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1544800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1544800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1544800 0 0 0 0 0 0 0 0 0 TIMING: 1544800 CPU: 6174.09, 0.00394972/step Wall: 6174.09, 0.00394972/step, 1.04799 hours remaining, 114.367188 MB of memory in use. ENERGY: 1544800 646.3831 1821.5036 1985.9912 106.7558 0.1233 -1099.7862 0.0000 0.0000 2657.8998 6118.8706 293.5724 3460.9709 6154.2478 294.3580 PRESSURE: 1545000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1545000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1545000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1545000 0 0 0 0 0 0 0 0 0 TIMING: 1545000 CPU: 6174.88, 0.00394928/step Wall: 6174.88, 0.00394928/step, 1.04766 hours remaining, 114.367188 MB of memory in use. ENERGY: 1545000 649.9082 1857.0799 1959.7635 98.0711 0.4761 -1088.1823 0.0000 0.0000 2691.7805 6168.8970 297.3147 3477.1165 6204.3017 296.5870 PRESSURE: 1545200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1545200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1545200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1545200 0 0 0 0 0 0 0 0 0 TIMING: 1545200 CPU: 6175.67, 0.00394565/step Wall: 6175.67, 0.00394565/step, 1.04647 hours remaining, 114.367188 MB of memory in use. ENERGY: 1545200 636.9608 1855.9732 1983.0333 107.6751 0.0366 -1121.6861 0.0000 0.0000 2756.8333 6218.8262 304.4999 3461.9929 6253.0522 300.4884 PRESSURE: 1545400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1545400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1545400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1545400 0 0 0 0 0 0 0 0 0 TIMING: 1545400 CPU: 6176.46, 0.00395055/step Wall: 6176.46, 0.00395055/step, 1.04755 hours remaining, 114.367188 MB of memory in use. ENERGY: 1545400 669.6180 1783.0948 1988.9558 101.1738 0.5517 -1089.8433 0.0000 0.0000 2762.0287 6215.5795 305.0738 3453.5508 6252.1260 299.9314 PRESSURE: 1545600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1545600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1545600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1545600 0 0 0 0 0 0 0 0 0 TIMING: 1545600 CPU: 6177.25, 0.00395037/step Wall: 6177.25, 0.00395037/step, 1.04729 hours remaining, 114.367188 MB of memory in use. ENERGY: 1545600 691.0574 1810.7321 1971.9466 111.9652 0.6073 -1031.4081 0.0000 0.0000 2682.2558 6237.1563 296.2626 3554.9005 6272.2832 301.0519 PRESSURE: 1545800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1545800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1545800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1545800 0 0 0 0 0 0 0 0 0 TIMING: 1545800 CPU: 6178.04, 0.00394955/step Wall: 6178.04, 0.00394955/step, 1.04685 hours remaining, 114.367188 MB of memory in use. ENERGY: 1545800 661.3070 1821.8089 1984.8091 104.6765 0.5338 -1092.3605 0.0000 0.0000 2682.9945 6163.7695 296.3442 3480.7750 6193.8417 298.4888 PRESSURE: 1546000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1546000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1546000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1546000 0 0 0 0 0 0 0 0 0 TIMING: 1546000 CPU: 6178.83, 0.00394287/step Wall: 6178.83, 0.00394287/step, 1.04486 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1546000 647.0531 1820.1479 1966.8052 100.5214 2.1349 -1095.8097 0.0000 0.0000 2705.2158 6146.0685 298.7986 3440.8528 6178.4196 296.8880 PRESSURE: 1546200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1546200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1546200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1546200 0 0 0 0 0 0 0 0 0 TIMING: 1546200 CPU: 6179.62, 0.00396269/step Wall: 6179.62, 0.00396269/step, 1.04989 hours remaining, 114.367188 MB of memory in use. ENERGY: 1546200 598.1399 1874.8351 1958.3766 109.4366 0.7509 -1099.6861 0.0000 0.0000 2657.6888 6099.5419 293.5491 3441.8531 6132.8438 296.0096 PRESSURE: 1546400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1546400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1546400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1546400 0 0 0 0 0 0 0 0 0 TIMING: 1546400 CPU: 6180.41, 0.00394904/step Wall: 6180.41, 0.00394904/step, 1.04606 hours remaining, 114.367188 MB of memory in use. ENERGY: 1546400 603.8786 1805.4373 1972.1312 109.8397 0.4283 -1057.5366 0.0000 0.0000 2679.5096 6113.6881 295.9593 3434.1784 6145.6887 293.4631 PRESSURE: 1546600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1546600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1546600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1546600 0 0 0 0 0 0 0 0 0 TIMING: 1546600 CPU: 6181.2, 0.00395022/step Wall: 6181.2, 0.00395022/step, 1.04615 hours remaining, 114.367188 MB of memory in use. ENERGY: 1546600 649.5639 1795.0185 1975.4351 108.0152 0.2239 -1084.6770 0.0000 0.0000 2740.3668 6183.9464 302.6811 3443.5796 6220.8930 295.5312 PRESSURE: 1546800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1546800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1546800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1546800 0 0 0 0 0 0 0 0 0 TIMING: 1546800 CPU: 6181.99, 0.00395014/step Wall: 6181.99, 0.00395014/step, 1.04591 hours remaining, 114.367188 MB of memory in use. ENERGY: 1546800 621.0926 1809.1593 1979.6986 113.7972 0.9473 -1090.0096 0.0000 0.0000 2715.7552 6150.4405 299.9627 3434.6853 6184.4641 298.3457 PRESSURE: 1547000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1547000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1547000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1547000 0 0 0 0 0 0 0 0 0 TIMING: 1547000 CPU: 6182.78, 0.00394679/step Wall: 6182.78, 0.00394679/step, 1.0448 hours remaining, 114.367188 MB of memory in use. ENERGY: 1547000 639.0822 1799.5046 1978.7896 95.5696 3.0341 -1063.5260 0.0000 0.0000 2701.6011 6154.0552 298.3994 3452.4541 6184.8051 296.7591 PRESSURE: 1547200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1547200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1547200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1547200 0 0 0 0 0 0 0 0 0 TIMING: 1547200 CPU: 6183.57, 0.00395104/step Wall: 6183.57, 0.00395104/step, 1.04571 hours remaining, 114.367188 MB of memory in use. ENERGY: 1547200 671.5089 1817.2731 1978.7082 109.7745 0.3741 -1093.6555 0.0000 0.0000 2664.7869 6148.7703 294.3331 3483.9833 6180.9911 295.8079 PRESSURE: 1547400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1547400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1547400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1547400 0 0 0 0 0 0 0 0 0 TIMING: 1547400 CPU: 6184.36, 0.00394972/step Wall: 6184.36, 0.00394972/step, 1.04514 hours remaining, 114.367188 MB of memory in use. ENERGY: 1547400 654.0484 1826.1102 1942.7653 121.0432 -0.8358 -1085.6224 0.0000 0.0000 2706.6057 6164.1146 298.9521 3457.5090 6193.3348 298.8114 PRESSURE: 1547600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1547600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1547600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1547600 0 0 0 0 0 0 0 0 0 TIMING: 1547600 CPU: 6185.15, 0.00394992/step Wall: 6185.15, 0.00394992/step, 1.04497 hours remaining, 114.367188 MB of memory in use. ENERGY: 1547600 657.8700 1863.0542 1969.2045 108.8118 -0.2594 -1090.6519 0.0000 0.0000 2647.2720 6155.3012 292.3986 3508.0293 6186.1102 296.6325 PRESSURE: 1547800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1547800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1547800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1547800 0 0 0 0 0 0 0 0 0 TIMING: 1547800 CPU: 6185.94, 0.00394989/step Wall: 6185.94, 0.00394989/step, 1.04475 hours remaining, 114.367188 MB of memory in use. ENERGY: 1547800 656.9422 1848.4231 1977.0440 96.4724 -0.2392 -1077.6163 0.0000 0.0000 2613.1849 6114.2109 288.6335 3501.0261 6146.2136 295.6495 PRESSURE: 1548000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1548000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1548000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1548000 0 0 0 0 0 0 0 0 0 TIMING: 1548000 CPU: 6186.73, 0.00394441/step Wall: 6186.73, 0.00394441/step, 1.04308 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1548000 646.0856 1827.5442 1974.4267 110.6982 -1.2739 -1102.6310 0.0000 0.0000 2661.7907 6116.6405 294.0022 3454.8498 6148.6085 294.6739 PRESSURE: 1548200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1548200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1548200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1548200 0 0 0 0 0 0 0 0 0 TIMING: 1548200 CPU: 6187.52, 0.00394859/step Wall: 6187.52, 0.00394859/step, 1.04396 hours remaining, 114.367188 MB of memory in use. ENERGY: 1548200 652.8243 1807.9339 1979.6499 104.0718 0.5240 -1076.3486 0.0000 0.0000 2682.5547 6151.2100 296.2956 3468.6553 6182.5471 294.5705 LDB: ============= START OF LOAD BALANCING ============== 6190.48 LDB: ============== END OF LOAD BALANCING =============== 6190.48 LDB: =============== DONE WITH MIGRATION ================ 6190.48 LDB: ============= START OF LOAD BALANCING ============== 6190.88 LDB: ============== END OF LOAD BALANCING =============== 6190.88 LDB: =============== DONE WITH MIGRATION ================ 6190.88 PRESSURE: 1548400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1548400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1548400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1548400 0 0 0 0 0 0 0 0 0 TIMING: 1548400 CPU: 6188.31, 0.00395362/step Wall: 6188.31, 0.00395362/step, 1.04507 hours remaining, 114.367188 MB of memory in use. ENERGY: 1548400 668.9848 1810.1673 1962.6060 110.5747 -0.3252 -1080.9763 0.0000 0.0000 2699.5057 6170.5369 298.1679 3471.0312 6204.2415 297.5215 PRESSURE: 1548600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1548600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1548600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1548600 0 0 0 0 0 0 0 0 0 TIMING: 1548600 CPU: 6189.1, 0.00395001/step Wall: 6189.1, 0.00395001/step, 1.0439 hours remaining, 114.367188 MB of memory in use. ENERGY: 1548600 625.4670 1831.9297 1964.8396 105.9132 0.3237 -1092.3078 0.0000 0.0000 2728.1831 6164.3485 301.3354 3436.1654 6197.5739 298.8366 PRESSURE: 1548800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1548800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1548800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1548800 0 0 0 0 0 0 0 0 0 TIMING: 1548800 CPU: 6189.89, 0.00395009/step Wall: 6189.89, 0.00395009/step, 1.0437 hours remaining, 114.367188 MB of memory in use. ENERGY: 1548800 606.6439 1834.6748 2019.4350 121.5218 -0.1656 -1058.8252 0.0000 0.0000 2654.8982 6178.1828 293.2409 3523.2847 6210.5817 297.3747 PRESSURE: 1549000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1549000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1549000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1549000 0 0 0 0 0 0 0 0 0 TIMING: 1549000 CPU: 6190.68, 0.00394521/step Wall: 6190.68, 0.00394521/step, 1.04219 hours remaining, 114.367188 MB of memory in use. ENERGY: 1549000 661.0813 1864.8613 2003.2898 111.6873 0.3993 -1036.2920 0.0000 0.0000 2650.4552 6255.4822 292.7502 3605.0270 6287.2614 298.2279 PRESSURE: 1549200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1549200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1549200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1549200 0 0 0 0 0 0 0 0 0 TIMING: 1549200 CPU: 6191.47, 0.00394947/step Wall: 6191.47, 0.00394947/step, 1.0431 hours remaining, 114.367188 MB of memory in use. ENERGY: 1549200 642.9689 1847.2983 1997.5115 104.6695 1.1428 -1075.1721 0.0000 0.0000 2761.0234 6279.4424 304.9627 3518.4190 6311.5396 301.5025 PRESSURE: 1549400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1549400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1549400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1549400 0 0 0 0 0 0 0 0 0 TIMING: 1549400 CPU: 6192.26, 0.00394969/step Wall: 6192.26, 0.00394969/step, 1.04294 hours remaining, 114.367188 MB of memory in use. ENERGY: 1549400 601.5162 1817.0276 2017.8494 111.5530 0.9486 -1045.8072 0.0000 0.0000 2733.0590 6236.1466 301.8740 3503.0876 6272.8904 301.8866 PRESSURE: 1549600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1549600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1549600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1549600 0 0 0 0 0 0 0 0 0 TIMING: 1549600 CPU: 6193.05, 0.00394859/step Wall: 6193.05, 0.00394859/step, 1.04243 hours remaining, 114.367188 MB of memory in use. ENERGY: 1549600 664.9473 1852.5817 1960.3423 113.5977 1.6983 -1076.2255 0.0000 0.0000 2761.6236 6278.5654 305.0290 3516.9418 6312.7598 301.4774 PRESSURE: 1549800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1549800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1549800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1549800 0 0 0 0 0 0 0 0 0 TIMING: 1549800 CPU: 6193.84, 0.00394487/step Wall: 6193.84, 0.00394487/step, 1.04123 hours remaining, 114.367188 MB of memory in use. ENERGY: 1549800 664.7434 1860.4661 1997.7025 96.7049 0.8716 -1104.1588 0.0000 0.0000 2769.8890 6286.2188 305.9420 3516.3298 6321.1373 303.5356 PRESSURE: 1550000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1550000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1550000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1550000 0 0 0 0 0 0 0 0 0 TIMING: 1550000 CPU: 6194.63, 0.00395108/step Wall: 6194.63, 0.00395108/step, 1.04265 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1550000 653.2700 1820.2664 2009.6980 115.3800 1.5399 -1079.6852 0.0000 0.0000 2752.5430 6273.0120 304.0260 3520.4691 6306.4276 302.3868 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1550000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1550000 WRITING COORDINATES TO RESTART FILE AT STEP 1550000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1550000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1550200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1550200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1550200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1550200 0 0 0 0 0 0 0 0 0 TIMING: 1550200 CPU: 6198.37, 0.0187154/step Wall: 6198.37, 0.0187154/step, 4.93774 hours remaining, 114.367188 MB of memory in use. ENERGY: 1550200 657.2604 1910.8166 1952.7382 121.8387 -0.1619 -1092.5204 0.0000 0.0000 2676.1788 6226.1504 295.5914 3549.9716 6257.1513 301.1230 PRESSURE: 1550400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1550400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1550400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1550400 0 0 0 0 0 0 0 0 0 TIMING: 1550400 CPU: 6199.16, 0.00395208/step Wall: 6199.16, 0.00395208/step, 1.04247 hours remaining, 114.367188 MB of memory in use. ENERGY: 1550400 659.4562 1789.7651 1976.4048 103.0371 0.2352 -1062.7494 0.0000 0.0000 2727.8241 6193.9731 301.2958 3466.1490 6228.5387 298.2609 PRESSURE: 1550600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1550600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1550600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1550600 0 0 0 0 0 0 0 0 0 TIMING: 1550600 CPU: 6199.96, 0.00395117/step Wall: 6199.96, 0.00395117/step, 1.04201 hours remaining, 114.367188 MB of memory in use. ENERGY: 1550600 652.3834 1815.7978 1979.3433 107.4136 0.3064 -1092.2394 0.0000 0.0000 2698.2010 6161.2061 298.0238 3463.0051 6195.0830 296.9398 PRESSURE: 1550800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1550800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1550800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1550800 0 0 0 0 0 0 0 0 0 TIMING: 1550800 CPU: 6200.74, 0.00394647/step Wall: 6200.74, 0.00394647/step, 1.04055 hours remaining, 114.367188 MB of memory in use. ENERGY: 1550800 678.1300 1818.9827 1969.9050 104.4123 -0.0485 -1083.4912 0.0000 0.0000 2704.6898 6192.5801 298.7405 3487.8903 6227.1654 297.0795 PRESSURE: 1551000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1551000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1551000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1551000 0 0 0 0 0 0 0 0 0 TIMING: 1551000 CPU: 6201.53, 0.00395066/step Wall: 6201.53, 0.00395066/step, 1.04144 hours remaining, 114.367188 MB of memory in use. ENERGY: 1551000 669.9372 1832.0064 1997.9985 104.8164 0.2854 -1109.4489 0.0000 0.0000 2671.9792 6167.5741 295.1275 3495.5949 6196.7793 296.5057 PRESSURE: 1551200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1551200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1551200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1551200 0 0 0 0 0 0 0 0 0 TIMING: 1551200 CPU: 6202.32, 0.00395043/step Wall: 6202.32, 0.00395043/step, 1.04116 hours remaining, 114.367188 MB of memory in use. ENERGY: 1551200 602.7195 1871.7997 2017.2334 117.0908 0.6800 -1087.0406 0.0000 0.0000 2673.6980 6196.1809 295.3174 3522.4829 6228.1855 296.7339 PRESSURE: 1551400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1551400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1551400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1551400 0 0 0 0 0 0 0 0 0 TIMING: 1551400 CPU: 6203.11, 0.00395126/step Wall: 6203.11, 0.00395126/step, 1.04116 hours remaining, 114.367188 MB of memory in use. ENERGY: 1551400 633.2630 1823.2241 2024.5193 102.2795 -0.1131 -1110.4270 0.0000 0.0000 2743.5198 6216.2656 303.0294 3472.7458 6250.7339 300.0451 PRESSURE: 1551600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1551600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1551600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1551600 0 0 0 0 0 0 0 0 0 TIMING: 1551600 CPU: 6203.9, 0.00394521/step Wall: 6203.9, 0.00394521/step, 1.03934 hours remaining, 114.367188 MB of memory in use. ENERGY: 1551600 642.5857 1884.0631 1994.5786 108.5919 0.3359 -1109.4144 0.0000 0.0000 2673.9990 6194.7398 295.3506 3520.7409 6223.8609 300.4277 PRESSURE: 1551800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1551800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1551800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1551800 0 0 0 0 0 0 0 0 0 TIMING: 1551800 CPU: 6204.69, 0.00394984/step Wall: 6204.69, 0.00394984/step, 1.04035 hours remaining, 114.367188 MB of memory in use. ENERGY: 1551800 645.0699 1838.2564 1961.4924 92.2399 0.1880 -1089.7709 0.0000 0.0000 2730.8805 6178.3563 301.6334 3447.4758 6210.6728 296.8628 PRESSURE: 1552000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1552000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1552000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1552000 0 0 0 0 0 0 0 0 0 TIMING: 1552000 CPU: 6205.48, 0.00395108/step Wall: 6205.48, 0.00395108/step, 1.04045 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1552000 640.9795 1873.3002 2022.0477 100.7990 1.0277 -1146.3342 0.0000 0.0000 2703.8106 6195.6305 298.6434 3491.8199 6229.1830 298.0506 PRESSURE: 1552200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1552200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1552200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1552200 0 0 0 0 0 0 0 0 0 TIMING: 1552200 CPU: 6206.27, 0.00395033/step Wall: 6206.27, 0.00395033/step, 1.04003 hours remaining, 114.367188 MB of memory in use. ENERGY: 1552200 667.4805 1817.4506 1981.5091 102.4571 -0.0581 -1034.6058 0.0000 0.0000 2705.7137 6239.9470 298.8536 3534.2333 6272.9631 298.3985 LDB: ============= START OF LOAD BALANCING ============== 6209.23 LDB: ============== END OF LOAD BALANCING =============== 6209.23 LDB: =============== DONE WITH MIGRATION ================ 6209.23 LDB: ============= START OF LOAD BALANCING ============== 6209.63 LDB: ============== END OF LOAD BALANCING =============== 6209.63 LDB: =============== DONE WITH MIGRATION ================ 6209.63 PRESSURE: 1552400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1552400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1552400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1552400 0 0 0 0 0 0 0 0 0 TIMING: 1552400 CPU: 6207.07, 0.00395478/step Wall: 6207.07, 0.00395478/step, 1.04098 hours remaining, 114.367188 MB of memory in use. ENERGY: 1552400 646.9260 1860.5375 1978.9345 105.4655 1.2547 -1074.4200 0.0000 0.0000 2751.6089 6270.3072 303.9229 3518.6982 6302.3577 300.9511 PRESSURE: 1552600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1552600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1552600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1552600 0 0 0 0 0 0 0 0 0 TIMING: 1552600 CPU: 6207.85, 0.00394436/step Wall: 6207.85, 0.00394436/step, 1.03802 hours remaining, 114.367188 MB of memory in use. ENERGY: 1552600 678.7780 1861.1363 1987.2475 106.9602 1.3201 -1056.5435 0.0000 0.0000 2703.0215 6281.9201 298.5563 3578.8985 6313.9145 301.8256 PRESSURE: 1552800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1552800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1552800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1552800 0 0 0 0 0 0 0 0 0 TIMING: 1552800 CPU: 6208.64, 0.00395014/step Wall: 6208.64, 0.00395014/step, 1.03933 hours remaining, 114.367188 MB of memory in use. ENERGY: 1552800 678.1973 1771.2453 1991.9800 111.7936 0.6029 -1080.5602 0.0000 0.0000 2760.3516 6233.6105 304.8885 3473.2589 6270.8576 302.3325 PRESSURE: 1553000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1553000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1553000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1553000 0 0 0 0 0 0 0 0 0 TIMING: 1553000 CPU: 6209.43, 0.00395072/step Wall: 6209.43, 0.00395072/step, 1.03926 hours remaining, 114.367188 MB of memory in use. ENERGY: 1553000 683.3648 1838.4807 1963.6850 100.5210 2.1465 -1068.0120 0.0000 0.0000 2797.3568 6317.5428 308.9758 3520.1860 6350.6730 301.8858 PRESSURE: 1553200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1553200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1553200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1553200 0 0 0 0 0 0 0 0 0 TIMING: 1553200 CPU: 6210.22, 0.00395144/step Wall: 6210.22, 0.00395144/step, 1.03923 hours remaining, 114.367188 MB of memory in use. ENERGY: 1553200 642.4130 1884.5716 1966.5602 109.1490 1.4270 -1075.7829 0.0000 0.0000 2796.5197 6324.8575 308.8834 3528.3378 6359.4114 305.2344 PRESSURE: 1553400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1553400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1553400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1553400 0 0 0 0 0 0 0 0 0 TIMING: 1553400 CPU: 6211.01, 0.00395248/step Wall: 6211.01, 0.00395248/step, 1.03928 hours remaining, 114.367188 MB of memory in use. ENERGY: 1553400 674.7407 1889.5481 1952.7443 113.0484 2.6796 -1090.8695 0.0000 0.0000 2719.1559 6261.0475 300.3383 3541.8916 6290.6692 303.8392 PRESSURE: 1553600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1553600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1553600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1553600 0 0 0 0 0 0 0 0 0 TIMING: 1553600 CPU: 6211.8, 0.00394666/step Wall: 6211.8, 0.00394666/step, 1.03753 hours remaining, 114.367188 MB of memory in use. ENERGY: 1553600 699.0588 1882.8855 1963.8074 96.0861 2.5977 -1081.7810 0.0000 0.0000 2693.0757 6255.7301 297.4577 3562.6544 6287.1341 301.1233 PRESSURE: 1553800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1553800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1553800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1553800 0 0 0 0 0 0 0 0 0 TIMING: 1553800 CPU: 6212.59, 0.00395126/step Wall: 6212.59, 0.00395126/step, 1.03852 hours remaining, 114.367188 MB of memory in use. ENERGY: 1553800 674.0999 1862.7567 1950.0846 118.0617 1.8470 -1027.6528 0.0000 0.0000 2680.0429 6259.2400 296.0182 3579.1971 6289.6049 301.5331 PRESSURE: 1554000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1554000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1554000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1554000 0 0 0 0 0 0 0 0 0 TIMING: 1554000 CPU: 6213.38, 0.00395173/step Wall: 6213.38, 0.00395173/step, 1.03843 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1554000 697.6219 1853.7407 1962.3386 123.2745 1.1291 -1083.1190 0.0000 0.0000 2751.5741 6306.5598 303.9190 3554.9858 6344.9705 302.9739 PRESSURE: 1554200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1554200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1554200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1554200 0 0 0 0 0 0 0 0 0 TIMING: 1554200 CPU: 6214.17, 0.00394984/step Wall: 6214.17, 0.00394984/step, 1.03771 hours remaining, 114.367188 MB of memory in use. ENERGY: 1554200 627.1998 1870.2457 1973.2538 120.4836 1.9904 -1063.4713 0.0000 0.0000 2804.2943 6333.9964 309.7421 3529.7021 6369.7914 305.6568 PRESSURE: 1554400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1554400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1554400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1554400 0 0 0 0 0 0 0 0 0 TIMING: 1554400 CPU: 6214.96, 0.00395099/step Wall: 6214.96, 0.00395099/step, 1.03779 hours remaining, 114.367188 MB of memory in use. ENERGY: 1554400 673.5843 1862.7715 2008.5438 114.8621 0.7476 -1071.5766 0.0000 0.0000 2761.8264 6350.7590 305.0514 3588.9327 6385.7358 308.1628 PRESSURE: 1554600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1554600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1554600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1554600 0 0 0 0 0 0 0 0 0 TIMING: 1554600 CPU: 6215.75, 0.00394581/step Wall: 6215.75, 0.00394581/step, 1.03621 hours remaining, 114.367188 MB of memory in use. ENERGY: 1554600 640.9410 1866.7858 2000.6376 115.8025 1.6811 -1048.7080 0.0000 0.0000 2784.3042 6361.4442 307.5342 3577.1399 6395.6249 307.4092 PRESSURE: 1554800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1554800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1554800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1554800 0 0 0 0 0 0 0 0 0 TIMING: 1554800 CPU: 6216.54, 0.00395078/step Wall: 6216.54, 0.00395078/step, 1.0373 hours remaining, 114.367188 MB of memory in use. ENERGY: 1554800 653.6333 1880.2272 1989.8440 110.2037 0.4950 -1074.1268 0.0000 0.0000 2748.5703 6308.8468 303.5872 3560.2765 6342.8475 306.3994 PRESSURE: 1555000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1555000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1555000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1555000 0 0 0 0 0 0 0 0 0 TIMING: 1555000 CPU: 6217.33, 0.00395105/step Wall: 6217.33, 0.00395105/step, 1.03715 hours remaining, 114.367188 MB of memory in use. ENERGY: 1555000 649.2156 1852.9111 1937.3380 106.4720 0.2158 -1065.8452 0.0000 0.0000 2794.7183 6275.0256 308.6844 3480.3073 6308.4550 305.7150 PRESSURE: 1555200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1555200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1555200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1555200 0 0 0 0 0 0 0 0 0 TIMING: 1555200 CPU: 6218.12, 0.003951/step Wall: 6218.12, 0.003951/step, 1.03692 hours remaining, 114.367188 MB of memory in use. ENERGY: 1555200 656.3628 1864.3074 1962.2741 114.8236 0.8987 -1082.0238 0.0000 0.0000 2709.5084 6226.1513 299.2728 3516.6428 6260.3733 301.6685 PRESSURE: 1555400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1555400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1555400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1555400 0 0 0 0 0 0 0 0 0 TIMING: 1555400 CPU: 6218.91, 0.00394464/step Wall: 6218.91, 0.00394464/step, 1.03503 hours remaining, 114.367188 MB of memory in use. ENERGY: 1555400 659.7909 1893.1737 1977.6396 108.6777 0.7581 -1112.2762 0.0000 0.0000 2699.2285 6226.9923 298.1373 3527.7638 6258.4139 299.7037 PRESSURE: 1555600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1555600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1555600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1555600 0 0 0 0 0 0 0 0 0 TIMING: 1555600 CPU: 6219.71, 0.00396361/step Wall: 6219.71, 0.00396361/step, 1.03979 hours remaining, 114.367188 MB of memory in use. ENERGY: 1555600 633.0602 1857.0741 1987.6510 108.3154 1.4925 -1087.0804 0.0000 0.0000 2693.0515 6193.5644 297.4550 3500.5129 6227.1222 299.5674 PRESSURE: 1555800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1555800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1555800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1555800 0 0 0 0 0 0 0 0 0 TIMING: 1555800 CPU: 6220.5, 0.00395097/step Wall: 6220.5, 0.00395097/step, 1.03625 hours remaining, 114.367188 MB of memory in use. ENERGY: 1555800 661.6905 1835.8794 1996.6859 114.0419 2.8510 -1084.1934 0.0000 0.0000 2759.1706 6286.1259 304.7581 3526.9553 6316.3507 301.9484 PRESSURE: 1556000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1556000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1556000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1556000 0 0 0 0 0 0 0 0 0 TIMING: 1556000 CPU: 6221.29, 0.00395011/step Wall: 6221.29, 0.00395011/step, 1.03581 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1556000 648.0136 1868.8902 1957.1354 107.4934 1.2218 -1069.5340 0.0000 0.0000 2723.0288 6236.2491 300.7661 3513.2203 6271.0638 302.4917 PRESSURE: 1556200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1556200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1556200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1556200 0 0 0 0 0 0 0 0 0 TIMING: 1556200 CPU: 6222.08, 0.00394939/step Wall: 6222.08, 0.00394939/step, 1.0354 hours remaining, 114.367188 MB of memory in use. ENERGY: 1556200 626.9797 1877.3179 1992.0591 104.9871 1.0008 -1094.4235 0.0000 0.0000 2752.4495 6260.3706 304.0157 3507.9211 6295.2282 302.1894 LDB: ============= START OF LOAD BALANCING ============== 6225.04 LDB: ============== END OF LOAD BALANCING =============== 6225.04 LDB: =============== DONE WITH MIGRATION ================ 6225.04 LDB: ============= START OF LOAD BALANCING ============== 6225.43 LDB: ============== END OF LOAD BALANCING =============== 6225.43 LDB: =============== DONE WITH MIGRATION ================ 6225.43 PRESSURE: 1556400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1556400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1556400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1556400 0 0 0 0 0 0 0 0 0 TIMING: 1556400 CPU: 6222.87, 0.00394867/step Wall: 6222.87, 0.00394867/step, 1.03499 hours remaining, 114.367188 MB of memory in use. ENERGY: 1556400 654.5622 1838.0184 1982.2778 113.5511 0.8907 -1089.2965 0.0000 0.0000 2787.7705 6287.7742 307.9170 3500.0037 6320.9366 303.8908 PRESSURE: 1556600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1556600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1556600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1556600 0 0 0 0 0 0 0 0 0 TIMING: 1556600 CPU: 6223.66, 0.00395133/step Wall: 6223.66, 0.00395132/step, 1.03547 hours remaining, 114.367188 MB of memory in use. ENERGY: 1556600 641.9522 1907.8209 1972.9258 114.5726 0.4152 -1110.2797 0.0000 0.0000 2758.4221 6285.8291 304.6754 3527.4070 6320.8809 304.7772 PRESSURE: 1556800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1556800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1556800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1556800 0 0 0 0 0 0 0 0 0 TIMING: 1556800 CPU: 6224.45, 0.00396546/step Wall: 6224.45, 0.00396547/step, 1.03895 hours remaining, 114.367188 MB of memory in use. ENERGY: 1556800 686.4297 1875.4605 1957.8488 113.8051 0.0134 -1101.1366 0.0000 0.0000 2712.0796 6244.5005 299.5567 3532.4208 6278.4961 303.7324 PRESSURE: 1557000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1557000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1557000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1557000 0 0 0 0 0 0 0 0 0 TIMING: 1557000 CPU: 6225.24, 0.00395442/step Wall: 6225.24, 0.00395442/step, 1.03584 hours remaining, 114.367188 MB of memory in use. ENERGY: 1557000 674.1986 1876.9042 1971.5782 105.2569 1.1984 -1075.1325 0.0000 0.0000 2721.6160 6275.6198 300.6101 3554.0037 6310.8074 301.1275 PRESSURE: 1557200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1557200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1557200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1557200 0 0 0 0 0 0 0 0 0 TIMING: 1557200 CPU: 6226.03, 0.00395248/step Wall: 6226.03, 0.00395248/step, 1.03511 hours remaining, 114.367188 MB of memory in use. ENERGY: 1557200 673.1281 1825.1635 1974.1904 91.2335 2.3783 -1067.3864 0.0000 0.0000 2701.8469 6200.5543 298.4265 3498.7074 6234.0816 300.9375 PRESSURE: 1557400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1557400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1557400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1557400 0 0 0 0 0 0 0 0 0 TIMING: 1557400 CPU: 6226.82, 0.00394418/step Wall: 6226.82, 0.00394418/step, 1.03272 hours remaining, 114.367188 MB of memory in use. ENERGY: 1557400 672.4751 1834.6762 1971.8592 106.2918 2.4285 -1087.9018 0.0000 0.0000 2691.1348 6190.9637 297.2433 3499.8289 6222.3205 297.7250 PRESSURE: 1557600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1557600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1557600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1557600 0 0 0 0 0 0 0 0 0 TIMING: 1557600 CPU: 6227.61, 0.00395053/step Wall: 6227.61, 0.00395053/step, 1.03416 hours remaining, 114.367188 MB of memory in use. ENERGY: 1557600 655.5345 1893.0111 1975.0623 93.0761 1.5727 -1092.1031 0.0000 0.0000 2670.0297 6196.1833 294.9122 3526.1535 6223.9770 297.9124 PRESSURE: 1557800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1557800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1557800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1557800 0 0 0 0 0 0 0 0 0 TIMING: 1557800 CPU: 6228.4, 0.0039492/step Wall: 6228.4, 0.0039492/step, 1.03359 hours remaining, 114.367188 MB of memory in use. ENERGY: 1557800 638.4508 1832.8582 1969.8299 103.8843 1.9089 -1074.5398 0.0000 0.0000 2705.4389 6177.8313 298.8233 3472.3924 6214.1913 299.3320 PRESSURE: 1558000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1558000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1558000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1558000 0 0 0 0 0 0 0 0 0 TIMING: 1558000 CPU: 6229.19, 0.00394787/step Wall: 6229.19, 0.00394787/step, 1.03303 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1558000 675.9149 1869.4213 1963.7554 105.6113 1.3558 -1103.5889 0.0000 0.0000 2651.9305 6164.4002 292.9131 3512.4697 6196.5998 296.3220 PRESSURE: 1558200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1558200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1558200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1558200 0 0 0 0 0 0 0 0 0 TIMING: 1558200 CPU: 6229.98, 0.00394699/step Wall: 6229.98, 0.00394699/step, 1.03258 hours remaining, 114.367188 MB of memory in use. ENERGY: 1558200 676.4229 1833.2925 1989.3399 120.6744 1.4609 -1084.3778 0.0000 0.0000 2645.0467 6181.8596 292.1528 3536.8129 6214.6961 297.7238 PRESSURE: 1558400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1558400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1558400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1558400 0 0 0 0 0 0 0 0 0 TIMING: 1558400 CPU: 6232.95, 0.0148787/step Wall: 6232.95, 0.0148787/step, 3.8916 hours remaining, 114.367188 MB of memory in use. ENERGY: 1558400 647.9792 1823.4490 1969.5215 115.8486 1.6743 -1079.0939 0.0000 0.0000 2724.2190 6203.5976 300.8976 3479.3786 6238.4148 299.1721 PRESSURE: 1558600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1558600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1558600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1558600 0 0 0 0 0 0 0 0 0 TIMING: 1558600 CPU: 6233.77, 0.00409169/step Wall: 6233.77, 0.00409169/step, 1.06998 hours remaining, 114.367188 MB of memory in use. ENERGY: 1558600 651.7313 1863.1294 1974.1830 103.1918 2.7847 -1099.7449 0.0000 0.0000 2697.5467 6192.8222 297.9516 3495.2754 6224.6258 299.8451 PRESSURE: 1558800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1558800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1558800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1558800 0 0 0 0 0 0 0 0 0 TIMING: 1558800 CPU: 6234.56, 0.00395008/step Wall: 6234.56, 0.00395008/step, 1.03273 hours remaining, 114.367188 MB of memory in use. ENERGY: 1558800 624.5307 1876.4365 1959.5102 108.7552 1.0224 -1088.6328 0.0000 0.0000 2703.6560 6185.2783 298.6263 3481.6223 6218.7193 298.7654 PRESSURE: 1559000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1559000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1559000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1559000 0 0 0 0 0 0 0 0 0 TIMING: 1559000 CPU: 6235.35, 0.00395155/step Wall: 6235.35, 0.00395155/step, 1.03289 hours remaining, 114.367188 MB of memory in use. ENERGY: 1559000 665.8587 1889.3133 1972.0055 97.7785 1.9009 -1097.4530 0.0000 0.0000 2710.8914 6240.2952 299.4255 3529.4038 6271.1773 300.9793 PRESSURE: 1559200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1559200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1559200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1559200 0 0 0 0 0 0 0 0 0 TIMING: 1559200 CPU: 6236.14, 0.00395069/step Wall: 6236.14, 0.00395069/step, 1.03245 hours remaining, 114.367188 MB of memory in use. ENERGY: 1559200 661.9119 1808.1723 1957.3241 119.5280 1.7450 -1089.9356 0.0000 0.0000 2741.0249 6199.7705 302.7538 3458.7456 6232.8298 300.6099 PRESSURE: 1559400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1559400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1559400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1559400 0 0 0 0 0 0 0 0 0 TIMING: 1559400 CPU: 6236.93, 0.0039431/step Wall: 6236.93, 0.0039431/step, 1.03024 hours remaining, 114.367188 MB of memory in use. ENERGY: 1559400 688.1938 1826.4603 1986.1526 105.0036 0.2866 -1114.6314 0.0000 0.0000 2723.4878 6214.9533 300.8168 3491.4655 6249.8719 298.0976 PRESSURE: 1559600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1559600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1559600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1559600 0 0 0 0 0 0 0 0 0 TIMING: 1559600 CPU: 6237.72, 0.00395293/step Wall: 6237.72, 0.00395293/step, 1.03259 hours remaining, 114.367188 MB of memory in use. ENERGY: 1559600 627.8808 1874.9719 1965.5601 108.5568 2.0923 -1101.3157 0.0000 0.0000 2699.4626 6177.2088 298.1632 3477.7462 6211.4521 298.0737 PRESSURE: 1559800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1559800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1559800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1559800 0 0 0 0 0 0 0 0 0 TIMING: 1559800 CPU: 6238.51, 0.00394955/step Wall: 6238.51, 0.00394955/step, 1.03149 hours remaining, 114.367188 MB of memory in use. ENERGY: 1559800 690.9094 1824.3329 1958.9785 104.6741 0.7112 -1121.5103 0.0000 0.0000 2700.8596 6158.9554 298.3175 3458.0958 6192.0013 297.3943 PRESSURE: 1560000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1560000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1560000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1560000 0 0 0 0 0 0 0 0 0 TIMING: 1560000 CPU: 6239.3, 0.00395207/step Wall: 6239.3, 0.00395207/step, 1.03193 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1560000 648.7766 1853.6547 1958.8059 105.3363 0.2416 -1130.6383 0.0000 0.0000 2700.8656 6137.0424 298.3181 3436.1768 6170.7493 296.7320 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1560000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1560000 WRITING COORDINATES TO RESTART FILE AT STEP 1560000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1560000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1560200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1560200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1560200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1560200 0 0 0 0 0 0 0 0 0 TIMING: 1560200 CPU: 6240.13, 0.00413813/step Wall: 6240.13, 0.00413813/step, 1.08028 hours remaining, 114.367188 MB of memory in use. ENERGY: 1560200 642.4046 1849.2000 1983.4662 103.1385 0.2748 -1090.1837 0.0000 0.0000 2690.8093 6179.1097 297.2074 3488.3004 6210.6895 297.2827 LDB: ============= START OF LOAD BALANCING ============== 6243.09 LDB: ============== END OF LOAD BALANCING =============== 6243.09 LDB: =============== DONE WITH MIGRATION ================ 6243.09 LDB: ============= START OF LOAD BALANCING ============== 6243.48 LDB: ============== END OF LOAD BALANCING =============== 6243.48 LDB: =============== DONE WITH MIGRATION ================ 6243.48 PRESSURE: 1560400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1560400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1560400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1560400 0 0 0 0 0 0 0 0 0 TIMING: 1560400 CPU: 6240.92, 0.00394848/step Wall: 6240.92, 0.00394848/step, 1.03055 hours remaining, 114.367188 MB of memory in use. ENERGY: 1560400 649.4447 1893.2497 1927.7585 95.7378 0.6740 -1083.7898 0.0000 0.0000 2681.4117 6164.4867 296.1694 3483.0750 6197.6953 298.2873 PRESSURE: 1560600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1560600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1560600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1560600 0 0 0 0 0 0 0 0 0 TIMING: 1560600 CPU: 6241.71, 0.00395035/step Wall: 6241.71, 0.00395035/step, 1.03082 hours remaining, 114.367188 MB of memory in use. ENERGY: 1560600 642.2104 1917.8412 1998.0212 104.3919 1.9362 -1101.7086 0.0000 0.0000 2665.9103 6228.6026 294.4572 3562.6923 6260.6370 300.1454 PRESSURE: 1560800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1560800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1560800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1560800 0 0 0 0 0 0 0 0 0 TIMING: 1560800 CPU: 6242.5, 0.00395152/step Wall: 6242.5, 0.00395152/step, 1.03091 hours remaining, 114.367188 MB of memory in use. ENERGY: 1560800 650.7688 1870.8130 1935.5099 98.6007 1.7477 -1078.4702 0.0000 0.0000 2731.9580 6210.9279 301.7524 3478.9699 6241.8954 300.7967 PRESSURE: 1561000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1561000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1561000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1561000 0 0 0 0 0 0 0 0 0 TIMING: 1561000 CPU: 6243.29, 0.00395103/step Wall: 6243.29, 0.00395103/step, 1.03056 hours remaining, 114.367188 MB of memory in use. ENERGY: 1561000 631.7403 1888.8274 1970.7029 117.3821 2.0968 -1081.2449 0.0000 0.0000 2664.0103 6193.5149 294.2474 3529.5046 6222.9573 299.5841 PRESSURE: 1561200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1561200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1561200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1561200 0 0 0 0 0 0 0 0 0 TIMING: 1561200 CPU: 6244.08, 0.00395039/step Wall: 6244.08, 0.00395039/step, 1.03017 hours remaining, 114.367188 MB of memory in use. ENERGY: 1561200 636.3215 1801.8058 1974.5733 109.3840 2.4543 -1078.4487 0.0000 0.0000 2769.8827 6215.9729 305.9413 3446.0902 6249.6258 298.0111 PRESSURE: 1561400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1561400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1561400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1561400 0 0 0 0 0 0 0 0 0 TIMING: 1561400 CPU: 6244.87, 0.00394427/step Wall: 6244.87, 0.00394426/step, 1.02836 hours remaining, 114.367188 MB of memory in use. ENERGY: 1561400 657.5012 1867.5826 1989.5849 104.2529 1.0435 -1103.9683 0.0000 0.0000 2732.2224 6248.2191 301.7816 3515.9967 6282.0236 300.4602 PRESSURE: 1561600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1561600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1561600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1561600 0 0 0 0 0 0 0 0 0 TIMING: 1561600 CPU: 6245.66, 0.00395237/step Wall: 6245.66, 0.00395238/step, 1.03025 hours remaining, 114.367188 MB of memory in use. ENERGY: 1561600 622.5387 1824.1384 1963.9594 118.0985 2.8015 -1065.9951 0.0000 0.0000 2761.1894 6226.7308 304.9811 3465.5414 6260.1781 301.5436 PRESSURE: 1561800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1561800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1561800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1561800 0 0 0 0 0 0 0 0 0 TIMING: 1561800 CPU: 6246.45, 0.00395168/step Wall: 6246.45, 0.00395168/step, 1.02985 hours remaining, 114.367188 MB of memory in use. ENERGY: 1561800 628.2154 1889.5189 1978.4743 108.0561 1.5849 -1095.7965 0.0000 0.0000 2722.3088 6232.3619 300.6866 3510.0531 6264.0586 300.9777 PRESSURE: 1562000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1562000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1562000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1562000 0 0 0 0 0 0 0 0 0 TIMING: 1562000 CPU: 6247.24, 0.00395059/step Wall: 6247.24, 0.00395059/step, 1.02935 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1562000 671.6171 1869.6503 1978.7578 94.8138 3.1475 -1115.2655 0.0000 0.0000 2801.1487 6303.8696 309.3947 3502.7210 6341.2542 302.6029 PRESSURE: 1562200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1562200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1562200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1562200 0 0 0 0 0 0 0 0 0 TIMING: 1562200 CPU: 6248.03, 0.00395192/step Wall: 6248.03, 0.00395192/step, 1.02948 hours remaining, 114.367188 MB of memory in use. ENERGY: 1562200 706.5103 1903.6588 1985.7071 119.2291 1.1959 -1080.7291 0.0000 0.0000 2688.9563 6324.5284 297.0027 3635.5721 6355.9020 305.2605 PRESSURE: 1562400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1562400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1562400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1562400 0 0 0 0 0 0 0 0 0 TIMING: 1562400 CPU: 6248.82, 0.00394373/step Wall: 6248.82, 0.00394373/step, 1.02712 hours remaining, 114.367188 MB of memory in use. ENERGY: 1562400 679.5673 1837.4823 1977.7063 90.0868 1.3078 -1079.7534 0.0000 0.0000 2816.9513 6323.3483 311.1401 3506.3971 6357.4272 304.9053 PRESSURE: 1562600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1562600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1562600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1562600 0 0 0 0 0 0 0 0 0 TIMING: 1562600 CPU: 6249.61, 0.00395125/step Wall: 6249.61, 0.00395124/step, 1.02886 hours remaining, 114.367188 MB of memory in use. ENERGY: 1562600 653.0645 1862.5263 1984.7742 105.1980 1.6890 -1081.3039 0.0000 0.0000 2771.0351 6296.9832 306.0686 3525.9481 6329.7732 305.8320 PRESSURE: 1562800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1562800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1562800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1562800 0 0 0 0 0 0 0 0 0 TIMING: 1562800 CPU: 6250.4, 0.00394878/step Wall: 6250.4, 0.00394878/step, 1.028 hours remaining, 114.367188 MB of memory in use. ENERGY: 1562800 682.1935 1926.2218 1955.9087 107.3978 3.0629 -1092.7429 0.0000 0.0000 2750.3110 6332.3528 303.7795 3582.0418 6365.0718 304.7830 PRESSURE: 1563000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1563000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1563000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1563000 0 0 0 0 0 0 0 0 0 TIMING: 1563000 CPU: 6251.19, 0.00395036/step Wall: 6251.19, 0.00395036/step, 1.02819 hours remaining, 114.367188 MB of memory in use. ENERGY: 1563000 705.2595 1875.4317 1982.5101 106.9868 2.0819 -1108.7186 0.0000 0.0000 2765.7452 6329.2966 305.4843 3563.5514 6363.3317 305.5194 PRESSURE: 1563200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1563200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1563200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1563200 0 0 0 0 0 0 0 0 0 TIMING: 1563200 CPU: 6251.98, 0.00394331/step Wall: 6251.98, 0.00394331/step, 1.02614 hours remaining, 114.367188 MB of memory in use. ENERGY: 1563200 680.6728 1876.3470 1962.6061 108.4820 2.0728 -1049.0858 0.0000 0.0000 2739.8560 6320.9509 302.6247 3581.0949 6356.4570 304.9195 PRESSURE: 1563400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1563400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1563400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1563400 0 0 0 0 0 0 0 0 0 TIMING: 1563400 CPU: 6252.77, 0.0039506/step Wall: 6252.77, 0.0039506/step, 1.02781 hours remaining, 114.367188 MB of memory in use. ENERGY: 1563400 672.7521 1874.0096 1978.9850 105.3719 1.9535 -1033.2381 0.0000 0.0000 2766.6287 6366.4628 305.5818 3599.8340 6401.4249 305.5580 PRESSURE: 1563600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1563600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1563600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1563600 0 0 0 0 0 0 0 0 0 TIMING: 1563600 CPU: 6253.56, 0.0039535/step Wall: 6253.56, 0.0039535/step, 1.02835 hours remaining, 114.367188 MB of memory in use. ENERGY: 1563600 644.2412 1888.8583 1988.9314 103.1285 1.3978 -1084.9460 0.0000 0.0000 2743.2460 6284.8572 302.9992 3541.6112 6321.8095 305.0321 PRESSURE: 1563800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1563800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1563800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1563800 0 0 0 0 0 0 0 0 0 TIMING: 1563800 CPU: 6254.35, 0.00395071/step Wall: 6254.35, 0.0039507/step, 1.0274 hours remaining, 114.367188 MB of memory in use. ENERGY: 1563800 668.1816 1809.8524 1960.0873 114.8288 1.7561 -1109.7866 0.0000 0.0000 2717.2502 6162.1698 300.1279 3444.9196 6197.6780 299.5626 PRESSURE: 1564000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1564000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1564000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1564000 0 0 0 0 0 0 0 0 0 TIMING: 1564000 CPU: 6255.14, 0.00395151/step Wall: 6255.14, 0.00395152/step, 1.02739 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1564000 678.5018 1827.7182 1972.0231 106.2326 2.3070 -1087.6207 0.0000 0.0000 2656.7456 6155.9076 293.4449 3499.1621 6188.5256 295.8805 PRESSURE: 1564200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1564200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1564200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1564200 0 0 0 0 0 0 0 0 0 TIMING: 1564200 CPU: 6255.93, 0.0039419/step Wall: 6255.93, 0.0039419/step, 1.02467 hours remaining, 114.367188 MB of memory in use. ENERGY: 1564200 654.0979 1828.4500 1948.3589 103.9571 2.2540 -1050.8655 0.0000 0.0000 2693.0609 6179.3134 297.4561 3486.2525 6212.6619 297.5756 LDB: ============= START OF LOAD BALANCING ============== 6258.89 LDB: ============== END OF LOAD BALANCING =============== 6258.89 LDB: =============== DONE WITH MIGRATION ================ 6258.89 LDB: ============= START OF LOAD BALANCING ============== 6259.28 LDB: ============== END OF LOAD BALANCING =============== 6259.28 LDB: =============== DONE WITH MIGRATION ================ 6259.28 PRESSURE: 1564400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1564400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1564400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1564400 0 0 0 0 0 0 0 0 0 TIMING: 1564400 CPU: 6256.72, 0.00395617/step Wall: 6256.72, 0.00395617/step, 1.02816 hours remaining, 114.367188 MB of memory in use. ENERGY: 1564400 645.6918 1887.5565 2001.3881 107.1375 1.5761 -1099.2614 0.0000 0.0000 2651.7936 6195.8823 292.8980 3544.0886 6226.3804 299.3255 PRESSURE: 1564600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1564600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1564600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1564600 0 0 0 0 0 0 0 0 0 TIMING: 1564600 CPU: 6257.51, 0.00395102/step Wall: 6257.51, 0.00395102/step, 1.02661 hours remaining, 114.367188 MB of memory in use. ENERGY: 1564600 646.6043 1868.2389 1973.1378 105.3707 2.0169 -1088.3790 0.0000 0.0000 2713.6453 6220.6349 299.7297 3506.9896 6253.2930 300.1375 PRESSURE: 1564800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1564800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1564800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1564800 0 0 0 0 0 0 0 0 0 TIMING: 1564800 CPU: 6258.3, 0.00396269/step Wall: 6258.3, 0.00396269/step, 1.02942 hours remaining, 114.367188 MB of memory in use. ENERGY: 1564800 662.0430 1873.8848 1960.8167 101.3818 1.2650 -1105.9836 0.0000 0.0000 2744.4694 6237.8770 303.1343 3493.4076 6273.0774 301.7499 PRESSURE: 1565000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1565000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1565000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1565000 0 0 0 0 0 0 0 0 0 TIMING: 1565000 CPU: 6259.09, 0.0039503/step Wall: 6259.09, 0.0039503/step, 1.02598 hours remaining, 114.367188 MB of memory in use. ENERGY: 1565000 632.5108 1845.6269 1953.6267 113.9162 2.2249 -1078.2733 0.0000 0.0000 2749.6669 6219.2991 303.7084 3469.6322 6255.5441 301.9630 PRESSURE: 1565200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1565200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1565200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1565200 0 0 0 0 0 0 0 0 0 TIMING: 1565200 CPU: 6259.88, 0.00394498/step Wall: 6259.88, 0.00394498/step, 1.02438 hours remaining, 114.367188 MB of memory in use. ENERGY: 1565200 666.6059 1861.2487 1984.0899 110.7143 2.0907 -1099.1320 0.0000 0.0000 2732.3493 6257.9669 301.7956 3525.6176 6293.1157 300.2982 PRESSURE: 1565400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1565400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1565400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1565400 0 0 0 0 0 0 0 0 0 TIMING: 1565400 CPU: 6260.67, 0.00394987/step Wall: 6260.67, 0.00394987/step, 1.02543 hours remaining, 114.367188 MB of memory in use. ENERGY: 1565400 654.8692 1810.7037 1974.1041 109.4935 2.2427 -1017.3413 0.0000 0.0000 2715.7772 6249.8489 299.9652 3534.0717 6286.7605 301.0762 PRESSURE: 1565600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1565600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1565600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1565600 0 0 0 0 0 0 0 0 0 TIMING: 1565600 CPU: 6261.46, 0.00395102/step Wall: 6261.46, 0.00395102/step, 1.02551 hours remaining, 114.367188 MB of memory in use. ENERGY: 1565600 630.2150 1838.8822 1962.0082 122.8402 1.2380 -1055.6553 0.0000 0.0000 2738.8487 6238.3770 302.5135 3499.5283 6273.8700 300.5465 PRESSURE: 1565800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1565800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1565800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1565800 0 0 0 0 0 0 0 0 0 TIMING: 1565800 CPU: 6262.25, 0.00394946/step Wall: 6262.25, 0.00394946/step, 1.02489 hours remaining, 114.367188 MB of memory in use. ENERGY: 1565800 624.4138 1806.7084 1991.8402 125.4582 1.1374 -1070.3808 0.0000 0.0000 2688.1847 6167.3619 296.9175 3479.1772 6200.5217 298.8414 PRESSURE: 1566000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1566000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1566000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1566000 0 0 0 0 0 0 0 0 0 TIMING: 1566000 CPU: 6263.04, 0.00394724/step Wall: 6263.04, 0.00394724/step, 1.02409 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1566000 675.3434 1848.9709 1964.4783 112.7976 0.9371 -1111.3504 0.0000 0.0000 2673.8182 6164.9952 295.3307 3491.1770 6197.9675 298.3793 PRESSURE: 1566200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1566200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1566200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1566200 0 0 0 0 0 0 0 0 0 TIMING: 1566200 CPU: 6263.83, 0.00394976/step Wall: 6263.83, 0.00394976/step, 1.02452 hours remaining, 114.367188 MB of memory in use. ENERGY: 1566200 644.4217 1837.5243 1990.8444 96.4375 0.0603 -1099.7259 0.0000 0.0000 2716.6441 6186.2064 300.0609 3469.5623 6221.0748 298.9987 PRESSURE: 1566400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1566400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1566400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1566400 0 0 0 0 0 0 0 0 0 TIMING: 1566400 CPU: 6264.62, 0.00394956/step Wall: 6264.62, 0.00394956/step, 1.02425 hours remaining, 114.367188 MB of memory in use. ENERGY: 1566400 674.0711 1874.8765 1990.5422 106.8135 0.3683 -1092.7183 0.0000 0.0000 2720.9910 6274.9443 300.5410 3553.9532 6308.6151 300.5133 PRESSURE: 1566600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1566600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1566600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1566600 0 0 0 0 0 0 0 0 0 TIMING: 1566600 CPU: 6265.41, 0.0039503/step Wall: 6265.41, 0.0039503/step, 1.02423 hours remaining, 114.367188 MB of memory in use. ENERGY: 1566600 676.4163 1840.5388 1977.8602 120.2326 1.0924 -1069.4378 0.0000 0.0000 2688.4672 6235.1696 296.9487 3546.7024 6268.9641 302.0398 PRESSURE: 1566800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1566800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1566800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1566800 0 0 0 0 0 0 0 0 0 TIMING: 1566800 CPU: 6266.2, 0.00395372/step Wall: 6266.2, 0.00395372/step, 1.02489 hours remaining, 114.367188 MB of memory in use. ENERGY: 1566800 681.3140 1895.5085 1944.9144 110.4672 1.1589 -1107.2237 0.0000 0.0000 2690.1119 6216.2513 297.1304 3526.1394 6247.6538 301.3380 PRESSURE: 1567000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1567000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1567000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1567000 0 0 0 0 0 0 0 0 0 TIMING: 1567000 CPU: 6266.99, 0.0039459/step Wall: 6266.99, 0.0039459/step, 1.02265 hours remaining, 114.367188 MB of memory in use. ENERGY: 1567000 632.5183 1845.6371 1996.0316 113.4480 -0.0208 -1075.9174 0.0000 0.0000 2693.7545 6205.4513 297.5327 3511.6968 6238.0228 298.9769 PRESSURE: 1567200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1567200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1567200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1567200 0 0 0 0 0 0 0 0 0 TIMING: 1567200 CPU: 6267.78, 0.00395157/step Wall: 6267.78, 0.00395157/step, 1.0239 hours remaining, 114.367188 MB of memory in use. ENERGY: 1567200 628.0287 1817.4388 1977.8011 99.2977 1.9876 -1081.6446 0.0000 0.0000 2745.7097 6188.6189 303.2713 3442.9092 6224.2701 298.1440 PRESSURE: 1567400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1567400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1567400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1567400 0 0 0 0 0 0 0 0 0 TIMING: 1567400 CPU: 6268.57, 0.00395151/step Wall: 6268.57, 0.00395151/step, 1.02366 hours remaining, 114.367188 MB of memory in use. ENERGY: 1567400 642.6191 1848.6735 1947.1521 107.0686 0.9232 -1084.0189 0.0000 0.0000 2755.8321 6218.2497 304.3893 3462.4176 6253.0209 298.1129 PRESSURE: 1567600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1567600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1567600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1567600 0 0 0 0 0 0 0 0 0 TIMING: 1567600 CPU: 6269.36, 0.00395269/step Wall: 6269.36, 0.00395269/step, 1.02375 hours remaining, 114.367188 MB of memory in use. ENERGY: 1567600 658.0441 1833.6354 1963.5646 113.6730 0.8794 -1074.8731 0.0000 0.0000 2735.2929 6230.2163 302.1207 3494.9233 6267.2129 299.2614 PRESSURE: 1567800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1567800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1567800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1567800 0 0 0 0 0 0 0 0 0 TIMING: 1567800 CPU: 6270.15, 0.0039494/step Wall: 6270.15, 0.0039494/step, 1.02268 hours remaining, 114.367188 MB of memory in use. ENERGY: 1567800 623.6914 1909.7411 1942.7016 105.1895 -0.4203 -1064.7143 0.0000 0.0000 2711.7914 6227.9803 299.5249 3516.1889 6262.0978 300.0616 PRESSURE: 1568000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1568000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1568000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1568000 0 0 0 0 0 0 0 0 0 TIMING: 1568000 CPU: 6270.94, 0.00394539/step Wall: 6270.94, 0.00394539/step, 1.02142 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1568000 644.8406 1839.9796 1967.2435 98.0393 1.5835 -1083.4379 0.0000 0.0000 2732.3036 6200.5522 301.7905 3468.2486 6234.8412 298.9516 PRESSURE: 1568200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1568200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1568200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1568200 0 0 0 0 0 0 0 0 0 TIMING: 1568200 CPU: 6271.73, 0.00395106/step Wall: 6271.73, 0.00395106/step, 1.02267 hours remaining, 114.367188 MB of memory in use. ENERGY: 1568200 643.3336 1791.2088 1985.3101 112.7125 -0.1057 -1077.3226 0.0000 0.0000 2746.3657 6201.5023 303.3437 3455.1366 6234.7382 298.2809 LDB: ============= START OF LOAD BALANCING ============== 6274.69 LDB: ============== END OF LOAD BALANCING =============== 6274.69 LDB: =============== DONE WITH MIGRATION ================ 6274.69 LDB: ============= START OF LOAD BALANCING ============== 6275.09 LDB: ============== END OF LOAD BALANCING =============== 6275.09 LDB: =============== DONE WITH MIGRATION ================ 6275.09 PRESSURE: 1568400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1568400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1568400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1568400 0 0 0 0 0 0 0 0 0 TIMING: 1568400 CPU: 6272.52, 0.00395409/step Wall: 6272.52, 0.00395409/step, 1.02323 hours remaining, 114.367188 MB of memory in use. ENERGY: 1568400 687.9237 1815.4485 1981.6894 113.5360 1.2177 -1090.0942 0.0000 0.0000 2715.6750 6225.3962 299.9539 3509.7213 6258.5906 301.4414 PRESSURE: 1568600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1568600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1568600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1568600 0 0 0 0 0 0 0 0 0 TIMING: 1568600 CPU: 6273.31, 0.00394927/step Wall: 6273.31, 0.00394927/step, 1.02176 hours remaining, 114.367188 MB of memory in use. ENERGY: 1568600 684.3669 1838.6322 1987.2378 113.6963 0.2080 -1095.1045 0.0000 0.0000 2702.0023 6231.0391 298.4437 3529.0367 6264.9304 301.0187 PRESSURE: 1568800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1568800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1568800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1568800 0 0 0 0 0 0 0 0 0 TIMING: 1568800 CPU: 6274.1, 0.00394973/step Wall: 6274.1, 0.00394973/step, 1.02166 hours remaining, 114.367188 MB of memory in use. ENERGY: 1568800 680.3017 1821.7950 1979.2628 105.7178 0.8272 -1113.8068 0.0000 0.0000 2765.4805 6239.5782 305.4550 3474.0976 6278.2550 302.4431 PRESSURE: 1569000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1569000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1569000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1569000 0 0 0 0 0 0 0 0 0 TIMING: 1569000 CPU: 6274.89, 0.003945/step Wall: 6274.89, 0.003945/step, 1.02022 hours remaining, 114.367188 MB of memory in use. ENERGY: 1569000 664.8957 1852.8849 1955.3737 109.9618 0.2612 -1056.6449 0.0000 0.0000 2713.6466 6240.3791 299.7298 3526.7325 6273.4279 303.2349 PRESSURE: 1569200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1569200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1569200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1569200 0 0 0 0 0 0 0 0 0 TIMING: 1569200 CPU: 6275.68, 0.00395152/step Wall: 6275.68, 0.00395152/step, 1.02169 hours remaining, 114.367188 MB of memory in use. ENERGY: 1569200 661.6281 1874.9685 1970.1557 119.7699 1.0679 -1113.5380 0.0000 0.0000 2743.5226 6257.5746 303.0297 3514.0520 6289.9445 302.8693 PRESSURE: 1569400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1569400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1569400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1569400 0 0 0 0 0 0 0 0 0 TIMING: 1569400 CPU: 6276.47, 0.003952/step Wall: 6276.47, 0.003952/step, 1.02159 hours remaining, 114.367188 MB of memory in use. ENERGY: 1569400 651.6440 1837.7891 1969.2300 113.4519 0.5879 -1098.0874 0.0000 0.0000 2773.7007 6248.3162 306.3630 3474.6155 6282.7051 304.0469 PRESSURE: 1569600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1569600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1569600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1569600 0 0 0 0 0 0 0 0 0 TIMING: 1569600 CPU: 6277.26, 0.0039513/step Wall: 6277.26, 0.0039513/step, 1.02119 hours remaining, 114.367188 MB of memory in use. ENERGY: 1569600 633.2168 1902.8100 1938.8841 111.5938 -0.4574 -1093.6424 0.0000 0.0000 2750.9681 6243.3729 303.8521 3492.4048 6281.7179 301.7771 PRESSURE: 1569800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1569800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1569800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1569800 0 0 0 0 0 0 0 0 0 TIMING: 1569800 CPU: 6278.05, 0.00394624/step Wall: 6278.05, 0.00394624/step, 1.01967 hours remaining, 114.367188 MB of memory in use. ENERGY: 1569800 644.2730 1842.8065 1959.3386 92.3445 -0.1069 -1097.0100 0.0000 0.0000 2707.2642 6148.9099 299.0249 3441.6457 6185.1299 297.6285 PRESSURE: 1570000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1570000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1570000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1570000 0 0 0 0 0 0 0 0 0 TIMING: 1570000 CPU: 6278.84, 0.00395053/step Wall: 6278.84, 0.00395053/step, 1.02055 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1570000 634.3924 1858.8105 1975.6447 106.5582 -0.9957 -1082.5456 0.0000 0.0000 2666.8065 6158.6711 294.5562 3491.8646 6190.4709 297.1978 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1570000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1570000 WRITING COORDINATES TO RESTART FILE AT STEP 1570000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1570000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1570200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1570200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1570200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1570200 0 0 0 0 0 0 0 0 0 TIMING: 1570200 CPU: 6279.72, 0.00441567/step Wall: 6279.72, 0.00441567/step, 1.14047 hours remaining, 114.367188 MB of memory in use. ENERGY: 1570200 638.8364 1897.8611 1945.0382 111.7885 0.2361 -1085.1539 0.0000 0.0000 2696.6276 6205.2339 297.8500 3508.6064 6235.2933 300.1683 PRESSURE: 1570400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1570400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1570400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1570400 0 0 0 0 0 0 0 0 0 TIMING: 1570400 CPU: 6280.51, 0.0039502/step Wall: 6280.51, 0.0039502/step, 1.02003 hours remaining, 114.367188 MB of memory in use. ENERGY: 1570400 653.4730 1926.3229 1925.1661 97.2186 1.0106 -1089.3812 0.0000 0.0000 2729.7290 6243.5390 301.5062 3513.8100 6275.8710 301.4720 PRESSURE: 1570600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1570600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1570600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1570600 0 0 0 0 0 0 0 0 0 TIMING: 1570600 CPU: 6281.3, 0.00395023/step Wall: 6281.3, 0.00395023/step, 1.01982 hours remaining, 114.367188 MB of memory in use. ENERGY: 1570600 675.4797 1855.8143 1981.4276 108.4636 0.0934 -1109.7042 0.0000 0.0000 2730.6112 6242.1855 301.6036 3511.5743 6273.7946 301.1122 PRESSURE: 1570800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1570800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1570800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1570800 0 0 0 0 0 0 0 0 0 TIMING: 1570800 CPU: 6282.09, 0.00394923/step Wall: 6282.09, 0.00394923/step, 1.01934 hours remaining, 114.367188 MB of memory in use. ENERGY: 1570800 681.3878 1843.1425 1994.1530 109.1176 2.2051 -1092.3798 0.0000 0.0000 2704.6072 6242.2332 298.7314 3537.6261 6275.0025 300.8998 PRESSURE: 1571000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1571000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1571000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1571000 0 0 0 0 0 0 0 0 0 TIMING: 1571000 CPU: 6282.88, 0.00394537/step Wall: 6282.88, 0.00394537/step, 1.01812 hours remaining, 114.367188 MB of memory in use. ENERGY: 1571000 677.9699 1844.7424 1992.6932 107.6074 2.0227 -1126.0138 0.0000 0.0000 2754.9935 6254.0154 304.2967 3499.0219 6285.8910 302.2714 PRESSURE: 1571200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1571200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1571200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1571200 0 0 0 0 0 0 0 0 0 TIMING: 1571200 CPU: 6283.67, 0.00395025/step Wall: 6283.67, 0.00395025/step, 1.01916 hours remaining, 114.367188 MB of memory in use. ENERGY: 1571200 650.7134 1852.7043 2004.6217 109.0473 1.3587 -1109.0869 0.0000 0.0000 2733.3469 6242.7054 301.9058 3509.3585 6273.9174 303.4685 PRESSURE: 1571400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1571400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1571400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1571400 0 0 0 0 0 0 0 0 0 TIMING: 1571400 CPU: 6284.47, 0.0039614/step Wall: 6284.47, 0.0039614/step, 1.02182 hours remaining, 114.367188 MB of memory in use. ENERGY: 1571400 623.1123 1964.2358 1975.6981 100.2930 0.3654 -1098.2802 0.0000 0.0000 2671.0264 6236.4508 295.0223 3565.4244 6266.6367 302.0958 PRESSURE: 1571600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1571600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1571600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1571600 0 0 0 0 0 0 0 0 0 TIMING: 1571600 CPU: 6285.26, 0.00395493/step Wall: 6285.26, 0.00395493/step, 1.01993 hours remaining, 114.367188 MB of memory in use. ENERGY: 1571600 631.7916 1891.0454 1955.0060 103.7038 0.3498 -1059.2121 0.0000 0.0000 2754.8956 6277.5801 304.2859 3522.6845 6310.6660 301.6411 PRESSURE: 1571800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1571800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1571800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1571800 0 0 0 0 0 0 0 0 0 TIMING: 1571800 CPU: 6286.05, 0.0039467/step Wall: 6286.05, 0.0039467/step, 1.01759 hours remaining, 114.367188 MB of memory in use. ENERGY: 1571800 610.5504 1879.8367 1972.6319 116.5055 1.8279 -1084.6397 0.0000 0.0000 2763.2324 6259.9451 305.2067 3496.7127 6293.1584 304.4349 PRESSURE: 1572000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1572000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1572000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1572000 0 0 0 0 0 0 0 0 0 TIMING: 1572000 CPU: 6286.84, 0.00395/step Wall: 6286.84, 0.00395/step, 1.01822 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1572000 685.5932 1884.1575 1952.4739 109.9856 1.0537 -1104.6355 0.0000 0.0000 2732.5544 6261.1828 301.8182 3528.6285 6293.3250 303.9870 PRESSURE: 1572200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1572200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1572200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1572200 0 0 0 0 0 0 0 0 0 TIMING: 1572200 CPU: 6287.63, 0.00395037/step Wall: 6287.63, 0.00395037/step, 1.0181 hours remaining, 114.367188 MB of memory in use. ENERGY: 1572200 663.4000 1875.5510 1988.2727 113.2502 1.4209 -1127.8428 0.0000 0.0000 2759.4212 6273.4731 304.7858 3514.0519 6305.5683 304.5653 LDB: ============= START OF LOAD BALANCING ============== 6290.58 LDB: ============== END OF LOAD BALANCING =============== 6290.58 LDB: =============== DONE WITH MIGRATION ================ 6290.58 LDB: ============= START OF LOAD BALANCING ============== 6290.98 LDB: ============== END OF LOAD BALANCING =============== 6290.98 LDB: =============== DONE WITH MIGRATION ================ 6290.98 PRESSURE: 1572400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1572400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1572400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1572400 0 0 0 0 0 0 0 0 0 TIMING: 1572400 CPU: 6288.42, 0.00395564/step Wall: 6288.42, 0.00395564/step, 1.01924 hours remaining, 114.367188 MB of memory in use. ENERGY: 1572400 647.7319 1852.0853 1977.0254 117.2060 0.5182 -1092.0206 0.0000 0.0000 2761.3064 6263.8524 304.9940 3502.5460 6297.6651 304.5275 PRESSURE: 1572600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1572600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1572600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1572600 0 0 0 0 0 0 0 0 0 TIMING: 1572600 CPU: 6289.21, 0.00395163/step Wall: 6289.21, 0.00395162/step, 1.01798 hours remaining, 114.367188 MB of memory in use. ENERGY: 1572600 625.3595 1849.1853 1971.3318 105.1557 1.1147 -1088.8130 0.0000 0.0000 2708.2349 6171.5688 299.1321 3463.3339 6203.6829 300.8108 PRESSURE: 1572800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1572800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1572800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1572800 0 0 0 0 0 0 0 0 0 TIMING: 1572800 CPU: 6290, 0.00394552/step Wall: 6290, 0.00394553/step, 1.01619 hours remaining, 114.367188 MB of memory in use. ENERGY: 1572800 649.0619 1867.5910 1967.3946 111.7682 0.3478 -1124.9079 0.0000 0.0000 2679.4002 6150.6557 295.9472 3471.2556 6182.9549 296.9598 PRESSURE: 1573000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1573000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1573000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1573000 0 0 0 0 0 0 0 0 0 TIMING: 1573000 CPU: 6290.79, 0.00395005/step Wall: 6290.79, 0.00395005/step, 1.01714 hours remaining, 114.367188 MB of memory in use. ENERGY: 1573000 647.6334 1882.3229 1960.3730 122.0756 0.5677 -1116.6343 0.0000 0.0000 2686.1271 6182.4654 296.6902 3496.3383 6213.3110 299.6562 PRESSURE: 1573200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1573200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1573200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1573200 0 0 0 0 0 0 0 0 0 TIMING: 1573200 CPU: 6291.58, 0.00395055/step Wall: 6291.58, 0.00395055/step, 1.01705 hours remaining, 114.367188 MB of memory in use. ENERGY: 1573200 616.3627 1835.5256 1984.9964 117.3557 1.8799 -1104.0485 0.0000 0.0000 2734.5667 6186.6384 302.0405 3452.0717 6220.0842 299.8530 PRESSURE: 1573400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1573400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1573400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1573400 0 0 0 0 0 0 0 0 0 TIMING: 1573400 CPU: 6292.37, 0.00395093/step Wall: 6292.37, 0.00395093/step, 1.01693 hours remaining, 114.367188 MB of memory in use. ENERGY: 1573400 663.7359 1847.6331 1962.9736 101.3202 1.4234 -1086.1244 0.0000 0.0000 2699.3916 6190.3535 298.1553 3490.9618 6220.4384 299.7021 PRESSURE: 1573600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1573600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1573600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1573600 0 0 0 0 0 0 0 0 0 TIMING: 1573600 CPU: 6293.16, 0.00394962/step Wall: 6293.16, 0.00394962/step, 1.01637 hours remaining, 114.367188 MB of memory in use. ENERGY: 1573600 646.9130 1825.0048 1975.9520 111.1643 1.3529 -1064.4871 0.0000 0.0000 2683.5323 6179.4322 296.4036 3495.8999 6213.4871 300.1499 PRESSURE: 1573800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1573800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1573800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1573800 0 0 0 0 0 0 0 0 0 TIMING: 1573800 CPU: 6293.94, 0.00394264/step Wall: 6293.94, 0.00394264/step, 1.01435 hours remaining, 114.367188 MB of memory in use. ENERGY: 1573800 639.3024 1880.8908 1978.4903 127.2267 1.5214 -1114.4271 0.0000 0.0000 2668.3278 6181.3324 294.7242 3513.0046 6215.6249 297.4435 PRESSURE: 1574000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1574000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1574000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1574000 0 0 0 0 0 0 0 0 0 TIMING: 1574000 CPU: 6294.73, 0.00394949/step Wall: 6294.73, 0.00394949/step, 1.0159 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1574000 642.7817 1806.7631 1965.7031 130.2329 2.1256 -1081.9348 0.0000 0.0000 2723.9813 6189.6529 300.8713 3465.6716 6224.4248 298.4888 PRESSURE: 1574200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1574200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1574200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1574200 0 0 0 0 0 0 0 0 0 TIMING: 1574200 CPU: 6295.52, 0.0039508/step Wall: 6295.52, 0.0039508/step, 1.01601 hours remaining, 114.367188 MB of memory in use. ENERGY: 1574200 654.8723 1885.3500 1975.8450 107.7976 1.0652 -1097.1508 0.0000 0.0000 2661.5793 6189.3586 293.9789 3527.7793 6222.1790 299.9004 PRESSURE: 1574400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1574400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1574400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1574400 0 0 0 0 0 0 0 0 0 TIMING: 1574400 CPU: 6296.31, 0.00394953/step Wall: 6296.31, 0.00394953/step, 1.01547 hours remaining, 114.367188 MB of memory in use. ENERGY: 1574400 636.2575 1822.8152 1971.6899 94.3982 0.1706 -1118.2017 0.0000 0.0000 2756.3448 6163.4745 304.4460 3407.1296 6197.4236 300.3469 PRESSURE: 1574600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1574600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1574600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1574600 0 0 0 0 0 0 0 0 0 TIMING: 1574600 CPU: 6297.1, 0.00394726/step Wall: 6297.1, 0.00394726/step, 1.01467 hours remaining, 114.367188 MB of memory in use. ENERGY: 1574600 633.5847 1865.1763 1978.5728 99.7224 0.7117 -1116.6172 0.0000 0.0000 2704.2542 6165.4049 298.6924 3461.1507 6197.2470 297.6155 PRESSURE: 1574800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1574800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1574800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1574800 0 0 0 0 0 0 0 0 0 TIMING: 1574800 CPU: 6297.89, 0.003945/step Wall: 6297.89, 0.003945/step, 1.01387 hours remaining, 114.367188 MB of memory in use. ENERGY: 1574800 669.6253 1863.8605 1964.5638 100.7198 1.4183 -1089.9487 0.0000 0.0000 2686.9010 6197.1400 296.7757 3510.2390 6228.3364 299.4375 PRESSURE: 1575000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1575000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1575000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1575000 0 0 0 0 0 0 0 0 0 TIMING: 1575000 CPU: 6298.69, 0.00396642/step Wall: 6298.69, 0.00396642/step, 1.01915 hours remaining, 114.367188 MB of memory in use. ENERGY: 1575000 682.8859 1830.9200 2009.5480 113.7697 0.8668 -1099.0686 0.0000 0.0000 2667.6334 6206.5552 294.6475 3538.9218 6238.7749 300.8802 PRESSURE: 1575200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1575200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1575200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1575200 0 0 0 0 0 0 0 0 0 TIMING: 1575200 CPU: 6299.48, 0.00394863/step Wall: 6299.48, 0.00394863/step, 1.01436 hours remaining, 114.367188 MB of memory in use. ENERGY: 1575200 674.0278 1864.8316 1977.5789 111.3908 1.2172 -1105.0571 0.0000 0.0000 2732.2988 6256.2880 301.7900 3523.9892 6289.1062 300.0741 PRESSURE: 1575400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1575400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1575400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1575400 0 0 0 0 0 0 0 0 0 TIMING: 1575400 CPU: 6300.27, 0.00395121/step Wall: 6300.27, 0.00395121/step, 1.0148 hours remaining, 114.367188 MB of memory in use. ENERGY: 1575400 683.1475 1861.5514 1967.6493 106.4501 -0.1360 -1092.9378 0.0000 0.0000 2696.9269 6222.6515 297.8831 3525.7246 6255.2756 300.5158 PRESSURE: 1575600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1575600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1575600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1575600 0 0 0 0 0 0 0 0 0 TIMING: 1575600 CPU: 6301.06, 0.00394647/step Wall: 6301.06, 0.00394647/step, 1.01336 hours remaining, 114.367188 MB of memory in use. ENERGY: 1575600 658.6905 1849.4378 1983.9651 114.1579 1.5659 -1087.4984 0.0000 0.0000 2735.3893 6255.7080 302.1314 3520.3187 6289.8501 301.2794 PRESSURE: 1575800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1575800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1575800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1575800 0 0 0 0 0 0 0 0 0 TIMING: 1575800 CPU: 6301.85, 0.00394713/step Wall: 6301.85, 0.00394713/step, 1.01331 hours remaining, 114.367188 MB of memory in use. ENERGY: 1575800 648.6119 1870.0105 1988.4409 98.4822 0.7659 -1091.6263 0.0000 0.0000 2740.5864 6255.2715 302.7054 3514.6851 6291.0186 301.5795 PRESSURE: 1576000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1576000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1576000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1576000 0 0 0 0 0 0 0 0 0 TIMING: 1576000 CPU: 6302.63, 0.00394817/step Wall: 6302.63, 0.00394817/step, 1.01336 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1576000 676.2276 1843.0430 1956.0001 106.1820 1.7388 -1081.0309 0.0000 0.0000 2743.1498 6245.3104 302.9885 3502.1606 6279.7737 300.6800 PRESSURE: 1576200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1576200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1576200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1576200 0 0 0 0 0 0 0 0 0 TIMING: 1576200 CPU: 6303.42, 0.00394906/step Wall: 6303.42, 0.00394906/step, 1.01337 hours remaining, 114.367188 MB of memory in use. ENERGY: 1576200 685.1393 1864.9426 1966.0036 103.6698 1.8472 -1070.5607 0.0000 0.0000 2668.4760 6219.5179 294.7406 3551.0418 6251.6110 299.1987 LDB: ============= START OF LOAD BALANCING ============== 6306.38 LDB: ============== END OF LOAD BALANCING =============== 6306.38 LDB: =============== DONE WITH MIGRATION ================ 6306.38 LDB: ============= START OF LOAD BALANCING ============== 6306.78 LDB: ============== END OF LOAD BALANCING =============== 6306.78 LDB: =============== DONE WITH MIGRATION ================ 6306.78 PRESSURE: 1576400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1576400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1576400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1576400 0 0 0 0 0 0 0 0 0 TIMING: 1576400 CPU: 6304.22, 0.00395269/step Wall: 6304.22, 0.00395269/step, 1.01408 hours remaining, 114.367188 MB of memory in use. ENERGY: 1576400 657.2038 1815.5715 1971.5044 104.8812 0.9371 -1113.5402 0.0000 0.0000 2772.5889 6209.1467 306.2402 3436.5578 6248.5047 300.2075 PRESSURE: 1576600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1576600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1576600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1576600 0 0 0 0 0 0 0 0 0 TIMING: 1576600 CPU: 6305, 0.00394467/step Wall: 6305, 0.00394467/step, 1.01181 hours remaining, 114.367188 MB of memory in use. ENERGY: 1576600 701.5565 1898.3789 1944.3381 103.8645 2.1727 -1107.4276 0.0000 0.0000 2684.8161 6227.6993 296.5454 3542.8831 6257.3734 300.1498 PRESSURE: 1576800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1576800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1576800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1576800 0 0 0 0 0 0 0 0 0 TIMING: 1576800 CPU: 6305.79, 0.00394851/step Wall: 6305.79, 0.00394851/step, 1.01257 hours remaining, 114.367188 MB of memory in use. ENERGY: 1576800 671.3531 1838.1370 1987.5557 115.7540 1.9980 -1085.9976 0.0000 0.0000 2715.1828 6243.9831 299.8995 3528.8002 6275.5342 300.5103 PRESSURE: 1577000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1577000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1577000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1577000 0 0 0 0 0 0 0 0 0 TIMING: 1577000 CPU: 6306.58, 0.00394771/step Wall: 6306.58, 0.00394771/step, 1.01215 hours remaining, 114.367188 MB of memory in use. ENERGY: 1577000 655.2186 1866.0267 1978.9751 109.4673 1.5374 -1085.8690 0.0000 0.0000 2734.5967 6259.9529 302.0438 3525.3561 6292.8768 303.0600 PRESSURE: 1577200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1577200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1577200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1577200 0 0 0 0 0 0 0 0 0 TIMING: 1577200 CPU: 6307.37, 0.003949/step Wall: 6307.37, 0.003949/step, 1.01226 hours remaining, 114.367188 MB of memory in use. ENERGY: 1577200 611.1055 1827.9460 1950.5556 103.6549 2.0915 -1059.5528 0.0000 0.0000 2771.1880 6206.9887 306.0854 3435.8007 6242.4132 301.5674 PRESSURE: 1577400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1577400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1577400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1577400 0 0 0 0 0 0 0 0 0 TIMING: 1577400 CPU: 6308.16, 0.0039485/step Wall: 6308.16, 0.0039485/step, 1.01191 hours remaining, 114.367188 MB of memory in use. ENERGY: 1577400 631.1827 1896.5114 1985.2735 109.4719 1.9828 -1085.2429 0.0000 0.0000 2719.3993 6258.5787 300.3652 3539.1794 6292.2237 300.9641 PRESSURE: 1577600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1577600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1577600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1577600 0 0 0 0 0 0 0 0 0 TIMING: 1577600 CPU: 6308.95, 0.00394401/step Wall: 6308.95, 0.00394401/step, 1.01054 hours remaining, 114.367188 MB of memory in use. ENERGY: 1577600 675.7275 1865.8066 1996.1177 105.3563 1.5911 -1094.3857 0.0000 0.0000 2809.3798 6359.5933 310.3038 3550.2136 6392.7891 304.4566 PRESSURE: 1577800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1577800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1577800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1577800 0 0 0 0 0 0 0 0 0 TIMING: 1577800 CPU: 6309.74, 0.00394974/step Wall: 6309.74, 0.00394974/step, 1.01179 hours remaining, 114.367188 MB of memory in use. ENERGY: 1577800 653.1025 1893.3650 1967.1920 116.6936 0.3942 -1076.4626 0.0000 0.0000 2730.4857 6284.7703 301.5897 3554.2847 6318.0504 304.5754 PRESSURE: 1578000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1578000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1578000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1578000 0 0 0 0 0 0 0 0 0 TIMING: 1578000 CPU: 6310.53, 0.00394695/step Wall: 6310.53, 0.00394696/step, 1.01086 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1578000 678.6664 1852.3399 1983.9420 112.4697 1.6069 -1097.2901 0.0000 0.0000 2772.7252 6304.4600 306.2552 3531.7348 6336.1158 303.7728 PRESSURE: 1578200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1578200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1578200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1578200 0 0 0 0 0 0 0 0 0 TIMING: 1578200 CPU: 6311.32, 0.0039491/step Wall: 6311.32, 0.0039491/step, 1.01119 hours remaining, 114.367188 MB of memory in use. ENERGY: 1578200 654.0010 1863.8000 2004.3122 111.1577 -0.5692 -1081.8496 0.0000 0.0000 2737.7980 6288.6502 302.3974 3550.8522 6325.1765 305.9588 PRESSURE: 1578400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1578400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1578400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1578400 0 0 0 0 0 0 0 0 0 TIMING: 1578400 CPU: 6312.11, 0.00394383/step Wall: 6312.11, 0.00394383/step, 1.00962 hours remaining, 114.367188 MB of memory in use. ENERGY: 1578400 682.0761 1850.9835 1979.2933 103.1989 -0.5139 -1093.3543 0.0000 0.0000 2831.3594 6353.0430 312.7315 3521.6836 6385.9478 306.4140 PRESSURE: 1578600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1578600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1578600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1578600 0 0 0 0 0 0 0 0 0 TIMING: 1578600 CPU: 6312.9, 0.00394796/step Wall: 6312.9, 0.00394796/step, 1.01046 hours remaining, 114.367188 MB of memory in use. ENERGY: 1578600 647.3943 1878.5615 1979.5538 101.5511 -0.1285 -1064.9230 0.0000 0.0000 2770.5693 6312.5784 306.0171 3542.0091 6345.9089 307.0423 PRESSURE: 1578800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1578800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1578800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1578800 0 0 0 0 0 0 0 0 0 TIMING: 1578800 CPU: 6313.69, 0.00394764/step Wall: 6313.69, 0.00394764/step, 1.01016 hours remaining, 114.367188 MB of memory in use. ENERGY: 1578800 641.9431 1855.8871 1982.6620 103.6327 0.4092 -1094.1719 0.0000 0.0000 2800.1375 6290.4997 309.2830 3490.3622 6328.7629 304.9629 PRESSURE: 1579000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1579000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1579000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1579000 0 0 0 0 0 0 0 0 0 TIMING: 1579000 CPU: 6314.48, 0.00394669/step Wall: 6314.48, 0.00394669/step, 1.0097 hours remaining, 114.367188 MB of memory in use. ENERGY: 1579000 664.5334 1874.0648 1981.3021 111.6179 -0.7664 -1086.3186 0.0000 0.0000 2719.3799 6263.8131 300.3631 3544.4333 6294.0710 304.0500 PRESSURE: 1579200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1579200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1579200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1579200 0 0 0 0 0 0 0 0 0 TIMING: 1579200 CPU: 6315.27, 0.00394684/step Wall: 6315.27, 0.00394684/step, 1.00951 hours remaining, 114.367188 MB of memory in use. ENERGY: 1579200 650.7186 1828.2497 1976.9308 100.5511 0.4811 -1048.5787 0.0000 0.0000 2681.9534 6190.3058 296.2292 3508.3525 6222.6953 299.0546 PRESSURE: 1579400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1579400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1579400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1579400 0 0 0 0 0 0 0 0 0 TIMING: 1579400 CPU: 6316.06, 0.0039429/step Wall: 6316.06, 0.0039429/step, 1.00829 hours remaining, 114.367188 MB of memory in use. ENERGY: 1579400 644.7902 1835.8418 1949.8859 91.4054 -0.1873 -1062.1168 0.0000 0.0000 2717.4968 6177.1161 300.1551 3459.6192 6211.0405 297.2495 PRESSURE: 1579600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1579600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1579600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1579600 0 0 0 0 0 0 0 0 0 TIMING: 1579600 CPU: 6316.85, 0.00394744/step Wall: 6316.85, 0.00394744/step, 1.00923 hours remaining, 114.367188 MB of memory in use. ENERGY: 1579600 651.8092 1853.3681 1957.6713 93.3494 1.4073 -1051.3074 0.0000 0.0000 2637.3530 6143.6509 291.3030 3506.2979 6175.5398 296.2026 PRESSURE: 1579800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1579800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1579800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1579800 0 0 0 0 0 0 0 0 0 TIMING: 1579800 CPU: 6317.64, 0.00394778/step Wall: 6317.64, 0.00394778/step, 1.0091 hours remaining, 114.367188 MB of memory in use. ENERGY: 1579800 652.0888 1854.5505 1967.4294 95.2730 1.2029 -1093.0406 0.0000 0.0000 2703.6884 6181.1924 298.6299 3477.5040 6214.9262 296.6616 PRESSURE: 1580000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1580000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1580000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1580000 0 0 0 0 0 0 0 0 0 TIMING: 1580000 CPU: 6318.42, 0.00394849/step Wall: 6318.42, 0.00394849/step, 1.00906 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1580000 639.2381 1819.5298 1991.4021 110.8583 0.5999 -1085.2858 0.0000 0.0000 2670.5416 6146.8840 294.9688 3476.3424 6181.4553 296.5842 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1580000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1580000 WRITING COORDINATES TO RESTART FILE AT STEP 1580000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1580000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1580200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1580200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1580200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1580200 0 0 0 0 0 0 0 0 0 TIMING: 1580200 CPU: 6319.25, 0.00412768/step Wall: 6319.25, 0.00412768/step, 1.05462 hours remaining, 114.367188 MB of memory in use. ENERGY: 1580200 616.4380 1878.0560 1970.8967 100.8461 0.0412 -1078.4941 0.0000 0.0000 2666.7919 6154.5758 294.5546 3487.7839 6186.4648 295.4363 LDB: ============= START OF LOAD BALANCING ============== 6322.21 LDB: ============== END OF LOAD BALANCING =============== 6322.21 LDB: =============== DONE WITH MIGRATION ================ 6322.21 LDB: ============= START OF LOAD BALANCING ============== 6322.6 LDB: ============== END OF LOAD BALANCING =============== 6322.6 LDB: =============== DONE WITH MIGRATION ================ 6322.6 PRESSURE: 1580400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1580400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1580400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1580400 0 0 0 0 0 0 0 0 0 TIMING: 1580400 CPU: 6320.04, 0.00394826/step Wall: 6320.04, 0.00394826/step, 1.00856 hours remaining, 114.367188 MB of memory in use. ENERGY: 1580400 647.4436 1813.4337 2020.7232 92.9836 0.0040 -1088.3761 0.0000 0.0000 2734.8002 6221.0122 302.0663 3486.2120 6255.9052 299.3524 PRESSURE: 1580600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1580600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1580600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1580600 0 0 0 0 0 0 0 0 0 TIMING: 1580600 CPU: 6320.83, 0.00395556/step Wall: 6320.83, 0.00395556/step, 1.01021 hours remaining, 114.367188 MB of memory in use. ENERGY: 1580600 667.2882 1839.5656 1979.2191 101.6553 1.2573 -1090.6781 0.0000 0.0000 2715.1890 6213.4963 299.9002 3498.3073 6247.8353 299.5880 PRESSURE: 1580800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1580800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1580800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1580800 0 0 0 0 0 0 0 0 0 TIMING: 1580800 CPU: 6321.62, 0.0039476/step Wall: 6321.62, 0.0039476/step, 1.00795 hours remaining, 114.367188 MB of memory in use. ENERGY: 1580800 672.7365 1835.9053 1972.9035 114.3761 1.6624 -1066.7655 0.0000 0.0000 2646.1165 6176.9347 292.2709 3530.8183 6210.0343 297.6883 PRESSURE: 1581000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1581000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1581000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1581000 0 0 0 0 0 0 0 0 0 TIMING: 1581000 CPU: 6322.41, 0.00394605/step Wall: 6322.41, 0.00394605/step, 1.00734 hours remaining, 114.367188 MB of memory in use. ENERGY: 1581000 655.4388 1851.6574 1960.9533 119.5842 0.6672 -1054.7545 0.0000 0.0000 2671.7859 6205.3324 295.1062 3533.5465 6235.4489 297.3588 PRESSURE: 1581200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1581200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1581200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1581200 0 0 0 0 0 0 0 0 0 TIMING: 1581200 CPU: 6323.2, 0.00394781/step Wall: 6323.2, 0.00394781/step, 1.00757 hours remaining, 114.367188 MB of memory in use. ENERGY: 1581200 646.1681 1904.3585 1946.6261 109.5507 2.4516 -1047.5113 0.0000 0.0000 2645.7199 6207.3636 292.2271 3561.6437 6237.0351 298.0711 PRESSURE: 1581400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1581400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1581400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1581400 0 0 0 0 0 0 0 0 0 TIMING: 1581400 CPU: 6323.99, 0.00394246/step Wall: 6323.99, 0.00394246/step, 1.00598 hours remaining, 114.367188 MB of memory in use. ENERGY: 1581400 658.0901 1863.7488 1964.0974 117.7477 0.0238 -1110.1610 0.0000 0.0000 2732.3332 6225.8799 301.7938 3493.5467 6258.6652 298.8082 PRESSURE: 1581600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1581600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1581600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1581600 0 0 0 0 0 0 0 0 0 TIMING: 1581600 CPU: 6324.78, 0.00394622/step Wall: 6324.78, 0.00394622/step, 1.00672 hours remaining, 114.367188 MB of memory in use. ENERGY: 1581600 677.3142 1851.3033 1947.2152 98.3218 -0.0320 -1077.6898 0.0000 0.0000 2701.3363 6197.7690 298.3701 3496.4326 6231.7478 299.9610 PRESSURE: 1581800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1581800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1581800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1581800 0 0 0 0 0 0 0 0 0 TIMING: 1581800 CPU: 6325.57, 0.0039466/step Wall: 6325.57, 0.0039466/step, 1.0066 hours remaining, 114.367188 MB of memory in use. ENERGY: 1581800 641.1984 1880.8769 1967.7171 96.9753 0.4609 -1092.1327 0.0000 0.0000 2724.8810 6219.9769 300.9707 3495.0959 6250.7468 300.0690 PRESSURE: 1582000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1582000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1582000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1582000 0 0 0 0 0 0 0 0 0 TIMING: 1582000 CPU: 6326.36, 0.00394645/step Wall: 6326.36, 0.00394645/step, 1.00634 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1582000 634.4446 1896.6368 1969.6653 102.3138 0.1395 -1084.1423 0.0000 0.0000 2763.8768 6282.9344 305.2779 3519.0576 6317.2434 301.1931 PRESSURE: 1582200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1582200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1582200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1582200 0 0 0 0 0 0 0 0 0 TIMING: 1582200 CPU: 6327.14, 0.00394351/step Wall: 6327.14, 0.00394352/step, 1.00538 hours remaining, 114.367188 MB of memory in use. ENERGY: 1582200 641.2623 1884.1716 1981.1582 118.7306 0.4033 -1093.1429 0.0000 0.0000 2766.7356 6299.3188 305.5937 3532.5832 6334.0065 305.2939 PRESSURE: 1582400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1582400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1582400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1582400 0 0 0 0 0 0 0 0 0 TIMING: 1582400 CPU: 6327.93, 0.00394635/step Wall: 6327.93, 0.00394635/step, 1.00588 hours remaining, 114.367188 MB of memory in use. ENERGY: 1582400 649.6372 1883.7527 1974.5585 118.2900 1.0482 -1078.3673 0.0000 0.0000 2744.6947 6293.6140 303.1592 3548.9193 6328.9870 304.9932 PRESSURE: 1582600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1582600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1582600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1582600 0 0 0 0 0 0 0 0 0 TIMING: 1582600 CPU: 6328.72, 0.00394664/step Wall: 6328.72, 0.00394664/step, 1.00574 hours remaining, 114.367188 MB of memory in use. ENERGY: 1582600 667.5213 1922.2405 1963.4797 104.6665 1.1675 -1080.2584 0.0000 0.0000 2758.1439 6336.9611 304.6447 3578.8172 6369.0919 306.0504 PRESSURE: 1582800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1582800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1582800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1582800 0 0 0 0 0 0 0 0 0 TIMING: 1582800 CPU: 6329.51, 0.00394785/step Wall: 6329.51, 0.00394785/step, 1.00582 hours remaining, 114.367188 MB of memory in use. ENERGY: 1582800 654.7530 1917.8495 1976.4255 95.9150 2.4894 -1078.9707 0.0000 0.0000 2740.1322 6308.5939 302.6552 3568.4617 6340.3394 307.1100 PRESSURE: 1583000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1583000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1583000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1583000 0 0 0 0 0 0 0 0 0 TIMING: 1583000 CPU: 6330.3, 0.00394633/step Wall: 6330.3, 0.00394633/step, 1.00522 hours remaining, 114.367188 MB of memory in use. ENERGY: 1583000 638.2084 1899.1148 1978.2504 120.0069 1.6598 -1079.7018 0.0000 0.0000 2768.2366 6325.7750 305.7594 3557.5384 6360.3431 305.8511 PRESSURE: 1583200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1583200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1583200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1583200 0 0 0 0 0 0 0 0 0 TIMING: 1583200 CPU: 6331.09, 0.00394371/step Wall: 6331.09, 0.00394371/step, 1.00433 hours remaining, 114.367188 MB of memory in use. ENERGY: 1583200 659.2277 1865.8295 1974.7608 107.6862 0.4866 -1096.1809 0.0000 0.0000 2748.1680 6259.9780 303.5428 3511.8100 6294.9958 304.6295 PRESSURE: 1583400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1583400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1583400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1583400 0 0 0 0 0 0 0 0 0 TIMING: 1583400 CPU: 6331.88, 0.00394614/step Wall: 6331.88, 0.00394614/step, 1.00473 hours remaining, 114.367188 MB of memory in use. ENERGY: 1583400 661.1994 1820.9665 1959.6299 115.7191 -0.6249 -1068.9929 0.0000 0.0000 2786.3631 6274.2602 307.7616 3487.8972 6311.0221 304.3595 PRESSURE: 1583600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1583600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1583600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1583600 0 0 0 0 0 0 0 0 0 TIMING: 1583600 CPU: 6332.67, 0.00394868/step Wall: 6332.67, 0.00394868/step, 1.00516 hours remaining, 114.367188 MB of memory in use. ENERGY: 1583600 675.2600 1933.9091 1970.3656 104.0837 -0.3953 -1089.6313 0.0000 0.0000 2710.5454 6304.1373 299.3873 3593.5918 6335.8023 303.8702 PRESSURE: 1583800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1583800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1583800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1583800 0 0 0 0 0 0 0 0 0 TIMING: 1583800 CPU: 6333.46, 0.0039482/step Wall: 6333.46, 0.0039482/step, 1.00482 hours remaining, 114.367188 MB of memory in use. ENERGY: 1583800 679.1880 1820.3341 1993.7974 118.9798 -0.9257 -1093.5577 0.0000 0.0000 2787.0196 6304.8354 307.8341 3517.8159 6338.2077 305.5728 PRESSURE: 1584000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1584000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1584000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1584000 0 0 0 0 0 0 0 0 0 TIMING: 1584000 CPU: 6334.25, 0.00394837/step Wall: 6334.25, 0.00394837/step, 1.00464 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1584000 693.7870 1892.0421 1978.7509 112.3161 0.0672 -1077.3545 0.0000 0.0000 2713.0876 6312.6964 299.6681 3599.6088 6344.8974 303.7679 PRESSURE: 1584200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1584200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1584200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1584200 0 0 0 0 0 0 0 0 0 TIMING: 1584200 CPU: 6335.04, 0.00394418/step Wall: 6335.04, 0.00394418/step, 1.00336 hours remaining, 114.367188 MB of memory in use. ENERGY: 1584200 702.1292 1842.8752 2005.6373 106.5627 -0.1894 -1070.9421 0.0000 0.0000 2743.0270 6329.0998 302.9750 3586.0729 6367.3820 304.8339 LDB: ============= START OF LOAD BALANCING ============== 6338 LDB: ============== END OF LOAD BALANCING =============== 6338 LDB: =============== DONE WITH MIGRATION ================ 6338 LDB: ============= START OF LOAD BALANCING ============== 6338.39 LDB: ============== END OF LOAD BALANCING =============== 6338.39 LDB: =============== DONE WITH MIGRATION ================ 6338.39 PRESSURE: 1584400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1584400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1584400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1584400 0 0 0 0 0 0 0 0 0 TIMING: 1584400 CPU: 6335.83, 0.00395298/step Wall: 6335.83, 0.00395298/step, 1.00538 hours remaining, 114.367188 MB of memory in use. ENERGY: 1584400 654.2146 1857.2657 2000.5420 103.8392 -0.8550 -1102.1609 0.0000 0.0000 2762.9110 6275.7566 305.1712 3512.8456 6309.0831 303.6725 PRESSURE: 1584600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1584600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1584600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1584600 0 0 0 0 0 0 0 0 0 TIMING: 1584600 CPU: 6336.62, 0.00394804/step Wall: 6336.62, 0.00394804/step, 1.0039 hours remaining, 114.367188 MB of memory in use. ENERGY: 1584600 644.9602 1881.6704 2001.6105 107.5843 0.5149 -1088.3901 0.0000 0.0000 2729.7397 6277.6900 301.5073 3547.9503 6309.8720 303.3127 PRESSURE: 1584800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1584800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1584800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1584800 0 0 0 0 0 0 0 0 0 TIMING: 1584800 CPU: 6337.41, 0.00394728/step Wall: 6337.41, 0.00394728/step, 1.00349 hours remaining, 114.367188 MB of memory in use. ENERGY: 1584800 636.5398 1878.4525 1990.5441 110.0769 1.9645 -1062.6307 0.0000 0.0000 2703.8075 6258.7547 298.6431 3554.9471 6291.1879 302.3374 PRESSURE: 1585000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1585000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1585000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1585000 0 0 0 0 0 0 0 0 0 TIMING: 1585000 CPU: 6338.2, 0.00395639/step Wall: 6338.2, 0.00395639/step, 1.00558 hours remaining, 114.367188 MB of memory in use. ENERGY: 1585000 655.3440 1858.3487 1977.9008 110.0645 0.2549 -1094.8321 0.0000 0.0000 2742.7298 6249.8106 302.9421 3507.0809 6284.4053 301.7517 PRESSURE: 1585200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1585200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1585200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1585200 0 0 0 0 0 0 0 0 0 TIMING: 1585200 CPU: 6338.99, 0.00394365/step Wall: 6338.99, 0.00394365/step, 1.00212 hours remaining, 114.367188 MB of memory in use. ENERGY: 1585200 667.8378 1831.8329 1963.0946 109.5185 0.8658 -1060.4454 0.0000 0.0000 2731.4025 6244.1066 301.6910 3512.7041 6279.2044 302.3304 PRESSURE: 1585400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1585400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1585400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1585400 0 0 0 0 0 0 0 0 0 TIMING: 1585400 CPU: 6339.78, 0.00395115/step Wall: 6339.78, 0.00395115/step, 1.00381 hours remaining, 114.367188 MB of memory in use. ENERGY: 1585400 670.7998 1867.9414 1942.9130 103.2472 -0.3788 -1047.1642 0.0000 0.0000 2723.1844 6260.5428 300.7833 3537.3583 6295.2373 300.6514 PRESSURE: 1585600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1585600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1585600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1585600 0 0 0 0 0 0 0 0 0 TIMING: 1585600 CPU: 6340.57, 0.00394763/step Wall: 6340.57, 0.00394763/step, 1.0027 hours remaining, 114.367188 MB of memory in use. ENERGY: 1585600 679.8699 1887.7259 1946.7381 110.6659 -0.4309 -1092.4142 0.0000 0.0000 2691.6057 6223.7604 297.2953 3532.1547 6256.6564 300.0595 PRESSURE: 1585800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1585800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1585800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1585800 0 0 0 0 0 0 0 0 0 TIMING: 1585800 CPU: 6341.36, 0.00395031/step Wall: 6341.36, 0.00395031/step, 1.00316 hours remaining, 114.367188 MB of memory in use. ENERGY: 1585800 665.8098 1891.7745 1981.8230 105.1616 0.3104 -1077.2554 0.0000 0.0000 2696.4171 6264.0409 297.8268 3567.6239 6297.8473 301.0719 PRESSURE: 1586000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1586000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1586000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1586000 0 0 0 0 0 0 0 0 0 TIMING: 1586000 CPU: 6342.15, 0.00394474/step Wall: 6342.15, 0.00394474/step, 1.00153 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1586000 646.6036 1887.6716 1966.7787 112.9288 -1.0059 -1088.1739 0.0000 0.0000 2745.1464 6269.9493 303.2091 3524.8028 6302.8933 301.6056 PRESSURE: 1586200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1586200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1586200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1586200 0 0 0 0 0 0 0 0 0 TIMING: 1586200 CPU: 6342.94, 0.00394896/step Wall: 6342.94, 0.00394896/step, 1.00238 hours remaining, 114.367188 MB of memory in use. ENERGY: 1586200 668.8921 1875.4696 1981.6978 109.7301 0.2212 -1079.1266 0.0000 0.0000 2687.9808 6244.8649 296.8950 3556.8841 6277.3321 299.9161 PRESSURE: 1586400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1586400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1586400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1586400 0 0 0 0 0 0 0 0 0 TIMING: 1586400 CPU: 6343.73, 0.00395002/step Wall: 6343.73, 0.00395002/step, 1.00243 hours remaining, 114.367188 MB of memory in use. ENERGY: 1586400 640.7291 1871.7625 1972.2170 103.3449 0.1730 -1061.7573 0.0000 0.0000 2706.2452 6232.7145 298.9123 3526.4693 6262.3131 300.5819 PRESSURE: 1586600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1586600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1586600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1586600 0 0 0 0 0 0 0 0 0 TIMING: 1586600 CPU: 6344.52, 0.00395575/step Wall: 6344.52, 0.00395575/step, 1.00366 hours remaining, 114.367188 MB of memory in use. ENERGY: 1586600 642.4812 1820.5315 1965.4785 100.8166 -0.6646 -1069.8304 0.0000 0.0000 2755.6161 6214.4289 304.3655 3458.8127 6247.4946 300.0385 PRESSURE: 1586800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1586800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1586800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1586800 0 0 0 0 0 0 0 0 0 TIMING: 1586800 CPU: 6345.31, 0.0039538/step Wall: 6345.31, 0.0039538/step, 1.00295 hours remaining, 114.367188 MB of memory in use. ENERGY: 1586800 651.5389 1869.2850 1994.6202 118.0150 0.9125 -1087.7342 0.0000 0.0000 2721.1851 6267.8224 300.5625 3546.6374 6300.0626 300.1545 PRESSURE: 1587000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1587000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1587000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1587000 0 0 0 0 0 0 0 0 0 TIMING: 1587000 CPU: 6346.1, 0.00394675/step Wall: 6346.1, 0.00394675/step, 1.00094 hours remaining, 114.367188 MB of memory in use. ENERGY: 1587000 645.8582 1902.3038 1994.9123 107.0602 -1.6763 -1108.7870 0.0000 0.0000 2690.9719 6230.6430 297.2253 3539.6712 6264.8995 300.6130 PRESSURE: 1587200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1587200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1587200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1587200 0 0 0 0 0 0 0 0 0 TIMING: 1587200 CPU: 6346.89, 0.00394997/step Wall: 6346.89, 0.00394997/step, 1.00154 hours remaining, 114.367188 MB of memory in use. ENERGY: 1587200 646.3529 1876.7183 1987.1497 100.8028 -1.5727 -1092.2396 0.0000 0.0000 2708.6411 6225.8525 299.1770 3517.2114 6259.5534 300.5184 PRESSURE: 1587400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1587400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1587400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1587400 0 0 0 0 0 0 0 0 0 TIMING: 1587400 CPU: 6347.68, 0.00395043/step Wall: 6347.68, 0.00395043/step, 1.00143 hours remaining, 114.367188 MB of memory in use. ENERGY: 1587400 650.2692 1828.0375 1964.2640 100.9068 -0.7318 -1090.8793 0.0000 0.0000 2747.3125 6199.1789 303.4483 3451.8664 6234.0884 299.5186 PRESSURE: 1587600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1587600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1587600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1587600 0 0 0 0 0 0 0 0 0 TIMING: 1587600 CPU: 6348.47, 0.0039482/step Wall: 6348.47, 0.0039482/step, 1.00065 hours remaining, 114.367188 MB of memory in use. ENERGY: 1587600 652.4898 1851.3554 1999.6109 114.9817 -0.4141 -1069.8086 0.0000 0.0000 2654.7645 6202.9796 293.2261 3548.2151 6232.4362 298.6025 PRESSURE: 1587800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1587800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1587800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1587800 0 0 0 0 0 0 0 0 0 TIMING: 1587800 CPU: 6349.26, 0.0039496/step Wall: 6349.26, 0.0039496/step, 1.00078 hours remaining, 114.367188 MB of memory in use. ENERGY: 1587800 654.7692 1861.6813 1951.2335 115.5361 -0.6719 -1069.1890 0.0000 0.0000 2742.3635 6255.7227 302.9017 3513.3592 6290.1679 300.3524 PRESSURE: 1588000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1588000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1588000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1588000 0 0 0 0 0 0 0 0 0 TIMING: 1588000 CPU: 6350.05, 0.00394549/step Wall: 6350.05, 0.00394549/step, 0.999524 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1588000 680.0641 1887.7249 1979.5888 108.9879 0.3388 -1104.6944 0.0000 0.0000 2699.7015 6251.7116 298.1896 3552.0101 6283.0126 301.4291 PRESSURE: 1588200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1588200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1588200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1588200 0 0 0 0 0 0 0 0 0 TIMING: 1588200 CPU: 6350.84, 0.00394896/step Wall: 6350.84, 0.00394896/step, 1.00018 hours remaining, 114.367188 MB of memory in use. ENERGY: 1588200 680.2843 1914.5315 1974.3778 100.4160 -0.5574 -1107.4864 0.0000 0.0000 2711.7298 6273.2957 299.5181 3561.5658 6307.2662 301.5239 LDB: ============= START OF LOAD BALANCING ============== 6353.8 LDB: ============== END OF LOAD BALANCING =============== 6353.8 LDB: =============== DONE WITH MIGRATION ================ 6353.8 LDB: ============= START OF LOAD BALANCING ============== 6354.19 LDB: ============== END OF LOAD BALANCING =============== 6354.19 LDB: =============== DONE WITH MIGRATION ================ 6354.19 PRESSURE: 1588400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1588400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1588400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1588400 0 0 0 0 0 0 0 0 0 TIMING: 1588400 CPU: 6351.63, 0.00395246/step Wall: 6351.63, 0.00395246/step, 1.00085 hours remaining, 114.367188 MB of memory in use. ENERGY: 1588400 662.8912 1835.8405 1984.8984 112.8357 0.2212 -1067.8123 0.0000 0.0000 2734.8966 6263.7712 302.0769 3528.8746 6298.6273 303.8279 PRESSURE: 1588600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1588600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1588600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1588600 0 0 0 0 0 0 0 0 0 TIMING: 1588600 CPU: 6352.42, 0.00394837/step Wall: 6352.42, 0.00394837/step, 0.999597 hours remaining, 114.367188 MB of memory in use. ENERGY: 1588600 676.5483 1820.0430 1975.6655 114.8948 0.4731 -1089.8906 0.0000 0.0000 2708.9889 6206.7231 299.2154 3497.7342 6237.7920 300.1641 PRESSURE: 1588800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1588800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1588800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1588800 0 0 0 0 0 0 0 0 0 TIMING: 1588800 CPU: 6353.2, 0.00394344/step Wall: 6353.2, 0.00394344/step, 0.998128 hours remaining, 114.367188 MB of memory in use. ENERGY: 1588800 654.2304 1802.2610 1976.9478 120.0980 -0.0193 -1110.0390 0.0000 0.0000 2750.2113 6193.6901 303.7685 3443.4788 6229.8195 296.8975 PRESSURE: 1589000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1589000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1589000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1589000 0 0 0 0 0 0 0 0 0 TIMING: 1589000 CPU: 6353.99, 0.00394795/step Wall: 6353.99, 0.00394795/step, 0.999051 hours remaining, 114.367188 MB of memory in use. ENERGY: 1589000 619.3292 1860.4981 1999.5358 108.0126 1.4387 -1093.5406 0.0000 0.0000 2657.7544 6153.0282 293.5564 3495.2738 6184.2960 298.4674 PRESSURE: 1589200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1589200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1589200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1589200 0 0 0 0 0 0 0 0 0 TIMING: 1589200 CPU: 6354.78, 0.00394822/step Wall: 6354.78, 0.00394822/step, 0.998898 hours remaining, 114.367188 MB of memory in use. ENERGY: 1589200 655.1536 1864.7636 1965.5954 118.9186 0.4334 -1080.0277 0.0000 0.0000 2646.8447 6171.6815 292.3514 3524.8368 6205.4084 296.9110 PRESSURE: 1589400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1589400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1589400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1589400 0 0 0 0 0 0 0 0 0 TIMING: 1589400 CPU: 6355.57, 0.00394867/step Wall: 6355.57, 0.00394867/step, 0.998794 hours remaining, 114.367188 MB of memory in use. ENERGY: 1589400 637.5712 1792.0045 1974.1580 107.2057 -0.1664 -1071.6325 0.0000 0.0000 2732.3591 6171.4995 301.7967 3439.1404 6203.6923 297.8629 PRESSURE: 1589600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1589600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1589600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1589600 0 0 0 0 0 0 0 0 0 TIMING: 1589600 CPU: 6356.36, 0.00394852/step Wall: 6356.36, 0.00394852/step, 0.998537 hours remaining, 114.367188 MB of memory in use. ENERGY: 1589600 647.3403 1827.5923 2002.4778 103.5841 -0.8926 -1099.2491 0.0000 0.0000 2734.4095 6215.2625 302.0231 3480.8529 6247.6277 297.3067 PRESSURE: 1589800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1589800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1589800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1589800 0 0 0 0 0 0 0 0 0 TIMING: 1589800 CPU: 6357.15, 0.00394472/step Wall: 6357.15, 0.00394472/step, 0.997357 hours remaining, 114.367188 MB of memory in use. ENERGY: 1589800 657.2653 1852.4806 1996.1270 111.7417 -1.1270 -1058.0631 0.0000 0.0000 2671.1396 6229.5641 295.0348 3558.4245 6260.1673 299.1435 PRESSURE: 1590000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1590000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1590000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1590000 0 0 0 0 0 0 0 0 0 TIMING: 1590000 CPU: 6357.94, 0.0039485/step Wall: 6357.94, 0.0039485/step, 0.998093 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1590000 651.9256 1862.3609 1955.8483 99.5438 -0.0039 -1094.4519 0.0000 0.0000 2757.3776 6232.6003 304.5600 3475.2228 6264.4493 299.5616 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1590000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1590000 WRITING COORDINATES TO RESTART FILE AT STEP 1590000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1590000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1590200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1590200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1590200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1590200 0 0 0 0 0 0 0 0 0 TIMING: 1590200 CPU: 6358.78, 0.00418283/step Wall: 6358.78, 0.00418283/step, 1.05709 hours remaining, 114.367188 MB of memory in use. ENERGY: 1590200 674.3693 1795.3584 1986.3419 123.2861 0.5773 -1054.4023 0.0000 0.0000 2749.6776 6275.2083 303.7096 3525.5307 6308.5406 301.5350 PRESSURE: 1590400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1590400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1590400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1590400 0 0 0 0 0 0 0 0 0 TIMING: 1590400 CPU: 6359.57, 0.00394948/step Wall: 6359.57, 0.00394948/step, 0.997903 hours remaining, 114.367188 MB of memory in use. ENERGY: 1590400 652.0129 1881.0764 1950.6440 122.9672 0.5752 -1078.5480 0.0000 0.0000 2717.2700 6245.9976 300.1300 3528.7276 6276.2424 302.3042 PRESSURE: 1590600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1590600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1590600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1590600 0 0 0 0 0 0 0 0 0 TIMING: 1590600 CPU: 6360.36, 0.00394733/step Wall: 6360.36, 0.00394733/step, 0.997139 hours remaining, 114.367188 MB of memory in use. ENERGY: 1590600 665.8524 1823.2024 2023.5417 111.7724 -0.5247 -1072.9349 0.0000 0.0000 2710.1001 6261.0094 299.3381 3550.9093 6289.8278 301.5123 PRESSURE: 1590800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1590800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1590800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1590800 0 0 0 0 0 0 0 0 0 TIMING: 1590800 CPU: 6361.15, 0.00394428/step Wall: 6361.15, 0.00394428/step, 0.996151 hours remaining, 114.367188 MB of memory in use. ENERGY: 1590800 641.9430 1840.6202 2010.5873 97.8600 1.0264 -1120.6303 0.0000 0.0000 2789.5425 6260.9491 308.1127 3471.4066 6297.8956 303.3873 PRESSURE: 1591000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1591000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1591000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1591000 0 0 0 0 0 0 0 0 0 TIMING: 1591000 CPU: 6361.94, 0.00394708/step Wall: 6361.94, 0.00394708/step, 0.996637 hours remaining, 114.367188 MB of memory in use. ENERGY: 1591000 626.2074 1836.8356 1991.3997 106.6136 0.6643 -1065.2776 0.0000 0.0000 2731.5085 6227.9514 301.7027 3496.4429 6262.5973 300.4632 PRESSURE: 1591200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1591200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1591200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1591200 0 0 0 0 0 0 0 0 0 TIMING: 1591200 CPU: 6362.73, 0.00394742/step Wall: 6362.73, 0.00394742/step, 0.996504 hours remaining, 114.367188 MB of memory in use. ENERGY: 1591200 607.8965 1849.0622 1965.3527 116.0287 0.7112 -1074.8143 0.0000 0.0000 2759.3427 6223.5796 304.7771 3464.2369 6256.6668 298.7061 PRESSURE: 1591400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1591400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1591400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1591400 0 0 0 0 0 0 0 0 0 TIMING: 1591400 CPU: 6363.51, 0.0039467/step Wall: 6363.51, 0.0039467/step, 0.996102 hours remaining, 114.367188 MB of memory in use. ENERGY: 1591400 678.6702 1844.5427 1982.3491 100.5847 1.4081 -1106.0476 0.0000 0.0000 2754.6435 6256.1507 304.2581 3501.5072 6289.2452 302.0407 PRESSURE: 1591600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1591600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1591600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1591600 0 0 0 0 0 0 0 0 0 TIMING: 1591600 CPU: 6364.3, 0.00394529/step Wall: 6364.3, 0.00394529/step, 0.995528 hours remaining, 114.367188 MB of memory in use. ENERGY: 1591600 655.6051 1831.0308 1987.0450 109.5107 0.4803 -1087.7532 0.0000 0.0000 2758.5547 6254.4735 304.6901 3495.9187 6286.5366 299.1948 PRESSURE: 1591800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1591800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1591800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1591800 0 0 0 0 0 0 0 0 0 TIMING: 1591800 CPU: 6365.09, 0.00394456/step Wall: 6365.09, 0.00394456/step, 0.995125 hours remaining, 114.367188 MB of memory in use. ENERGY: 1591800 649.3659 1864.6269 1988.6013 86.1915 0.8074 -1048.3771 0.0000 0.0000 2692.7247 6233.9405 297.4189 3541.2158 6264.9289 301.7626 PRESSURE: 1592000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1592000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1592000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1592000 0 0 0 0 0 0 0 0 0 TIMING: 1592000 CPU: 6365.88, 0.00394581/step Wall: 6365.88, 0.00394581/step, 0.99522 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1592000 644.2225 1764.0206 2016.3354 122.0109 0.4448 -1048.6885 0.0000 0.0000 2768.7716 6267.1173 305.8185 3498.3457 6304.1761 300.8011 PRESSURE: 1592200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1592200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1592200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1592200 0 0 0 0 0 0 0 0 0 TIMING: 1592200 CPU: 6366.67, 0.00394733/step Wall: 6366.67, 0.00394733/step, 0.995386 hours remaining, 114.367188 MB of memory in use. ENERGY: 1592200 660.7794 1895.3895 1995.9414 97.3489 -0.2154 -1122.1452 0.0000 0.0000 2738.0576 6265.1562 302.4261 3527.0987 6298.4877 301.7888 LDB: ============= START OF LOAD BALANCING ============== 6369.63 LDB: ============== END OF LOAD BALANCING =============== 6369.63 LDB: =============== DONE WITH MIGRATION ================ 6369.63 LDB: ============= START OF LOAD BALANCING ============== 6370.03 LDB: ============== END OF LOAD BALANCING =============== 6370.03 LDB: =============== DONE WITH MIGRATION ================ 6370.03 PRESSURE: 1592400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1592400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1592400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1592400 0 0 0 0 0 0 0 0 0 TIMING: 1592400 CPU: 6367.46, 0.00395121/step Wall: 6367.46, 0.00395121/step, 0.996143 hours remaining, 114.367188 MB of memory in use. ENERGY: 1592400 654.1082 1903.1515 2000.6694 110.0182 -0.4634 -1088.0058 0.0000 0.0000 2681.6587 6261.1367 296.1967 3579.4780 6291.1900 303.3184 PRESSURE: 1592600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1592600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1592600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1592600 0 0 0 0 0 0 0 0 0 TIMING: 1592600 CPU: 6368.25, 0.00394567/step Wall: 6368.25, 0.00394567/step, 0.994529 hours remaining, 114.367188 MB of memory in use. ENERGY: 1592600 649.2144 1912.8391 1967.4754 104.0349 0.3787 -1071.4577 0.0000 0.0000 2696.5233 6259.0081 297.8385 3562.4848 6292.5435 303.1508 PRESSURE: 1592800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1592800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1592800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1592800 0 0 0 0 0 0 0 0 0 TIMING: 1592800 CPU: 6369.04, 0.00394314/step Wall: 6369.04, 0.00394314/step, 0.993671 hours remaining, 114.367188 MB of memory in use. ENERGY: 1592800 653.7948 1858.9871 1985.3065 107.1019 0.8524 -1081.7756 0.0000 0.0000 2747.4320 6271.6992 303.4615 3524.2671 6304.7568 303.7564 PRESSURE: 1593000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1593000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1593000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1593000 0 0 0 0 0 0 0 0 0 TIMING: 1593000 CPU: 6369.83, 0.0039456/step Wall: 6369.83, 0.0039456/step, 0.994073 hours remaining, 114.367188 MB of memory in use. ENERGY: 1593000 631.4049 1840.8937 1948.2167 87.1632 0.8816 -1093.9429 0.0000 0.0000 2814.4607 6229.0778 310.8650 3414.6171 6267.8993 303.2307 PRESSURE: 1593200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1593200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1593200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1593200 0 0 0 0 0 0 0 0 0 TIMING: 1593200 CPU: 6370.62, 0.0039461/step Wall: 6370.62, 0.0039461/step, 0.993979 hours remaining, 114.367188 MB of memory in use. ENERGY: 1593200 655.0109 1820.6482 1969.5273 111.5783 0.0826 -1094.6936 0.0000 0.0000 2743.4765 6205.6303 303.0246 3462.1538 6239.2270 299.3620 PRESSURE: 1593400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1593400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1593400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1593400 0 0 0 0 0 0 0 0 0 TIMING: 1593400 CPU: 6371.41, 0.00394679/step Wall: 6371.41, 0.00394679/step, 0.993933 hours remaining, 114.367188 MB of memory in use. ENERGY: 1593400 659.5725 1887.1542 1989.4302 98.4045 0.8387 -1128.9245 0.0000 0.0000 2696.6609 6203.1364 297.8537 3506.4755 6235.3685 300.0796 PRESSURE: 1593600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1593600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1593600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1593600 0 0 0 0 0 0 0 0 0 TIMING: 1593600 CPU: 6372.2, 0.00394262/step Wall: 6372.2, 0.00394262/step, 0.992664 hours remaining, 114.367188 MB of memory in use. ENERGY: 1593600 670.5851 1863.1204 1953.9571 116.2775 0.0931 -1084.7043 0.0000 0.0000 2727.1390 6246.4679 301.2201 3519.3289 6280.2322 301.4036 PRESSURE: 1593800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1593800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1593800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1593800 0 0 0 0 0 0 0 0 0 TIMING: 1593800 CPU: 6372.98, 0.00394573/step Wall: 6372.98, 0.00394573/step, 0.993228 hours remaining, 114.367188 MB of memory in use. ENERGY: 1593800 671.3205 1821.4997 1986.1513 103.6387 -0.4346 -1094.8174 0.0000 0.0000 2713.1364 6200.4946 299.6735 3487.3582 6236.9593 300.5840 PRESSURE: 1594000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1594000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1594000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1594000 0 0 0 0 0 0 0 0 0 TIMING: 1594000 CPU: 6373.77, 0.00394714/step Wall: 6373.77, 0.00394714/step, 0.993365 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1594000 645.1123 1849.3048 1964.9200 108.3477 0.0993 -1115.7405 0.0000 0.0000 2766.8707 6218.9145 305.6086 3452.0437 6254.2474 299.7362 PRESSURE: 1594200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1594200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1594200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1594200 0 0 0 0 0 0 0 0 0 TIMING: 1594200 CPU: 6374.56, 0.00394704/step Wall: 6374.56, 0.00394704/step, 0.99312 hours remaining, 114.367188 MB of memory in use. ENERGY: 1594200 653.2174 1862.5911 1963.8945 124.1901 0.0857 -1078.0968 0.0000 0.0000 2709.8237 6235.7057 299.3076 3525.8820 6271.6899 301.4898 PRESSURE: 1594400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1594400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1594400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1594400 0 0 0 0 0 0 0 0 0 TIMING: 1594400 CPU: 6375.35, 0.00394632/step Wall: 6375.35, 0.00394632/step, 0.992717 hours remaining, 114.367188 MB of memory in use. ENERGY: 1594400 689.2124 1851.5602 1950.8180 113.6282 0.0092 -1098.3663 0.0000 0.0000 2754.6076 6261.4694 304.2541 3506.8618 6293.2673 302.9679 PRESSURE: 1594600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1594600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1594600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1594600 0 0 0 0 0 0 0 0 0 TIMING: 1594600 CPU: 6376.14, 0.0039417/step Wall: 6376.14, 0.0039417/step, 0.991338 hours remaining, 114.367188 MB of memory in use. ENERGY: 1594600 689.0276 1851.7213 1990.7264 117.0080 0.0886 -1136.7837 0.0000 0.0000 2734.9097 6246.6980 302.0784 3511.7883 6283.3386 303.1300 PRESSURE: 1594800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1594800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1594800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1594800 0 0 0 0 0 0 0 0 0 TIMING: 1594800 CPU: 6376.93, 0.00394626/step Wall: 6376.93, 0.00394626/step, 0.992266 hours remaining, 114.367188 MB of memory in use. ENERGY: 1594800 651.3333 1822.1577 1979.5315 116.2791 -0.1659 -1061.9994 0.0000 0.0000 2723.3165 6230.4527 300.7979 3507.1362 6263.9149 301.8137 PRESSURE: 1595000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1595000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1595000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1595000 0 0 0 0 0 0 0 0 0 TIMING: 1595000 CPU: 6377.72, 0.00394832/step Wall: 6377.72, 0.00394832/step, 0.992565 hours remaining, 114.367188 MB of memory in use. ENERGY: 1595000 630.1364 1858.6096 1959.0253 121.9668 0.4542 -1061.3150 0.0000 0.0000 2736.2131 6245.0903 302.2224 3508.8772 6282.2176 300.3437 PRESSURE: 1595200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1595200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1595200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1595200 0 0 0 0 0 0 0 0 0 TIMING: 1595200 CPU: 6378.51, 0.00396266/step Wall: 6378.51, 0.00396266/step, 0.995949 hours remaining, 114.367188 MB of memory in use. ENERGY: 1595200 664.6990 1825.3215 1946.8471 105.3489 0.4991 -1087.9792 0.0000 0.0000 2716.3539 6171.0903 300.0289 3454.7364 6207.3719 300.4893 PRESSURE: 1595400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1595400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1595400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1595400 0 0 0 0 0 0 0 0 0 TIMING: 1595400 CPU: 6379.3, 0.00394701/step Wall: 6379.3, 0.00394701/step, 0.991795 hours remaining, 114.367188 MB of memory in use. ENERGY: 1595400 664.7885 1862.2922 1954.4610 99.5224 0.5954 -1101.7069 0.0000 0.0000 2752.0426 6231.9954 303.9708 3479.9527 6266.9282 300.0839 PRESSURE: 1595600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1595600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1595600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1595600 0 0 0 0 0 0 0 0 0 TIMING: 1595600 CPU: 6380.09, 0.00394647/step Wall: 6380.09, 0.00394647/step, 0.991442 hours remaining, 114.367188 MB of memory in use. ENERGY: 1595600 667.2420 1904.2692 1993.6625 107.1761 -0.1479 -1094.0639 0.0000 0.0000 2667.6180 6245.7561 294.6458 3578.1381 6275.4758 301.2326 PRESSURE: 1595800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1595800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1595800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1595800 0 0 0 0 0 0 0 0 0 TIMING: 1595800 CPU: 6380.88, 0.00394942/step Wall: 6380.88, 0.00394942/step, 0.991962 hours remaining, 114.367188 MB of memory in use. ENERGY: 1595800 654.1853 1864.3003 1975.4666 105.5953 0.3477 -1073.6879 0.0000 0.0000 2746.0225 6272.2298 303.3058 3526.2072 6303.4549 302.5399 PRESSURE: 1596000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1596000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1596000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1596000 0 0 0 0 0 0 0 0 0 TIMING: 1596000 CPU: 6381.67, 0.00394994/step Wall: 6381.67, 0.00394994/step, 0.991874 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1596000 655.5183 1842.4143 1968.3591 108.9072 -1.1941 -1077.0888 0.0000 0.0000 2795.2370 6292.1531 308.7417 3496.9160 6326.3030 301.9754 PRESSURE: 1596200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1596200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1596200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1596200 0 0 0 0 0 0 0 0 0 TIMING: 1596200 CPU: 6382.46, 0.00394863/step Wall: 6382.46, 0.00394863/step, 0.991326 hours remaining, 114.367188 MB of memory in use. ENERGY: 1596200 677.7946 1883.7023 1989.0577 106.0178 0.6804 -1088.0987 0.0000 0.0000 2687.1463 6256.3004 296.8028 3569.1541 6286.3465 304.1505 LDB: ============= START OF LOAD BALANCING ============== 6385.42 LDB: ============== END OF LOAD BALANCING =============== 6385.42 LDB: =============== DONE WITH MIGRATION ================ 6385.42 LDB: ============= START OF LOAD BALANCING ============== 6385.82 LDB: ============== END OF LOAD BALANCING =============== 6385.82 LDB: =============== DONE WITH MIGRATION ================ 6385.82 PRESSURE: 1596400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1596400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1596400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1596400 0 0 0 0 0 0 0 0 0 TIMING: 1596400 CPU: 6383.25, 0.00394914/step Wall: 6383.25, 0.00394915/step, 0.991235 hours remaining, 114.367188 MB of memory in use. ENERGY: 1596400 623.3377 1883.7890 2005.1126 103.5156 -0.0751 -1089.3195 0.0000 0.0000 2705.7093 6232.0696 298.8531 3526.3603 6267.5450 301.4151 PRESSURE: 1596600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1596600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1596600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1596600 0 0 0 0 0 0 0 0 0 TIMING: 1596600 CPU: 6384.04, 0.00394924/step Wall: 6384.04, 0.00394924/step, 0.991039 hours remaining, 114.367188 MB of memory in use. ENERGY: 1596600 657.9422 1887.1060 1968.1819 101.8398 0.4810 -1074.6981 0.0000 0.0000 2725.6813 6266.5342 301.0591 3540.8528 6301.5876 301.8739 PRESSURE: 1596800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1596800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1596800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1596800 0 0 0 0 0 0 0 0 0 TIMING: 1596800 CPU: 6384.83, 0.00394844/step Wall: 6384.83, 0.00394844/step, 0.99062 hours remaining, 114.367188 MB of memory in use. ENERGY: 1596800 667.7785 1820.4723 1984.0710 113.3385 0.6056 -1092.1990 0.0000 0.0000 2738.5893 6232.6561 302.4848 3494.0668 6265.1820 301.6891 PRESSURE: 1597000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1597000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1597000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1597000 0 0 0 0 0 0 0 0 0 TIMING: 1597000 CPU: 6385.62, 0.00394974/step Wall: 6385.62, 0.00394974/step, 0.990728 hours remaining, 114.367188 MB of memory in use. ENERGY: 1597000 653.7984 1855.8894 1971.8025 96.6256 1.4217 -1094.1975 0.0000 0.0000 2731.0363 6216.3766 301.6506 3485.3403 6249.9401 300.7975 PRESSURE: 1597200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1597200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1597200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1597200 0 0 0 0 0 0 0 0 0 TIMING: 1597200 CPU: 6386.41, 0.00394982/step Wall: 6386.41, 0.00394982/step, 0.990526 hours remaining, 114.367188 MB of memory in use. ENERGY: 1597200 653.2450 1880.7036 1992.8766 113.1316 1.2425 -1135.2161 0.0000 0.0000 2684.4645 6190.4476 296.5066 3505.9831 6223.4852 299.8496 PRESSURE: 1597400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1597400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1597400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1597400 0 0 0 0 0 0 0 0 0 TIMING: 1597400 CPU: 6387.2, 0.00394494/step Wall: 6387.2, 0.00394494/step, 0.989084 hours remaining, 114.367188 MB of memory in use. ENERGY: 1597400 635.3582 1835.3089 1960.9645 123.3833 -0.9792 -1107.3866 0.0000 0.0000 2775.1618 6221.8108 306.5243 3446.6490 6259.9452 299.7364 PRESSURE: 1597600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1597600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1597600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1597600 0 0 0 0 0 0 0 0 0 TIMING: 1597600 CPU: 6387.99, 0.00394958/step Wall: 6387.99, 0.00394958/step, 0.990028 hours remaining, 114.367188 MB of memory in use. ENERGY: 1597600 685.3043 1845.3563 1982.8592 101.6330 -0.0034 -1075.6858 0.0000 0.0000 2686.2599 6225.7234 296.7049 3539.4635 6257.6578 300.1464 PRESSURE: 1597800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1597800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1597800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1597800 0 0 0 0 0 0 0 0 0 TIMING: 1597800 CPU: 6388.78, 0.0039487/step Wall: 6388.78, 0.0039487/step, 0.989588 hours remaining, 114.367188 MB of memory in use. ENERGY: 1597800 696.4950 1885.0770 1979.8348 99.8954 0.1713 -1116.8837 0.0000 0.0000 2655.4505 6200.0401 293.3019 3544.5896 6231.3755 300.4178 PRESSURE: 1598000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1598000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1598000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1598000 0 0 0 0 0 0 0 0 0 TIMING: 1598000 CPU: 6389.57, 0.00394997/step Wall: 6389.57, 0.00394996/step, 0.989685 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1598000 669.0166 1831.0264 1972.3302 109.9661 -0.5291 -1101.0474 0.0000 0.0000 2720.9885 6201.7514 300.5408 3480.7628 6234.0390 300.3737 PRESSURE: 1598200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1598200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1598200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1598200 0 0 0 0 0 0 0 0 0 TIMING: 1598200 CPU: 6390.36, 0.00395009/step Wall: 6390.36, 0.0039501/step, 0.989499 hours remaining, 114.367188 MB of memory in use. ENERGY: 1598200 624.4526 1866.8486 1981.6440 118.8630 -0.2359 -1087.3018 0.0000 0.0000 2718.9778 6223.2483 300.3187 3504.2705 6258.4450 300.8346 PRESSURE: 1598400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1598400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1598400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1598400 0 0 0 0 0 0 0 0 0 TIMING: 1598400 CPU: 6391.15, 0.00394717/step Wall: 6391.15, 0.00394717/step, 0.988546 hours remaining, 114.367188 MB of memory in use. ENERGY: 1598400 670.2780 1876.6440 1990.0510 105.3659 0.1908 -1093.7488 0.0000 0.0000 2704.7646 6253.5455 298.7488 3548.7810 6286.3460 303.0451 PRESSURE: 1598600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1598600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1598600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1598600 0 0 0 0 0 0 0 0 0 TIMING: 1598600 CPU: 6391.94, 0.00394991/step Wall: 6391.94, 0.00394991/step, 0.989014 hours remaining, 114.367188 MB of memory in use. ENERGY: 1598600 623.1505 1902.0984 1966.9573 110.8624 1.5106 -1095.8825 0.0000 0.0000 2762.0882 6270.7850 305.0803 3508.6968 6306.1020 302.1207 PRESSURE: 1598800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1598800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1598800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1598800 0 0 0 0 0 0 0 0 0 TIMING: 1598800 CPU: 6392.73, 0.0039502/step Wall: 6392.73, 0.0039502/step, 0.988866 hours remaining, 114.367188 MB of memory in use. ENERGY: 1598800 676.9641 1868.6852 1991.8093 114.0182 0.7607 -1082.9812 0.0000 0.0000 2729.2670 6298.5232 301.4551 3569.2563 6328.7946 303.2390 PRESSURE: 1599000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1599000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1599000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1599000 0 0 0 0 0 0 0 0 0 TIMING: 1599000 CPU: 6393.52, 0.00394851/step Wall: 6393.52, 0.00394851/step, 0.988223 hours remaining, 114.367188 MB of memory in use. ENERGY: 1599000 698.3477 1838.4604 1973.1849 114.3187 0.8999 -1118.4233 0.0000 0.0000 2741.2412 6248.0294 302.7777 3506.7883 6279.7827 302.9668 PRESSURE: 1599200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1599200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1599200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1599200 0 0 0 0 0 0 0 0 0 TIMING: 1599200 CPU: 6394.31, 0.00394782/step Wall: 6394.31, 0.00394782/step, 0.987833 hours remaining, 114.367188 MB of memory in use. ENERGY: 1599200 655.4724 1845.2896 1988.2275 121.8429 1.6898 -1100.8139 0.0000 0.0000 2753.5868 6265.2950 304.1413 3511.7082 6299.9969 303.1173 PRESSURE: 1599400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1599400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1599400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1599400 0 0 0 0 0 0 0 0 0 TIMING: 1599400 CPU: 6395.1, 0.00394617/step Wall: 6395.1, 0.00394617/step, 0.9872 hours remaining, 114.367188 MB of memory in use. ENERGY: 1599400 653.5124 1905.4783 1984.4515 94.8200 1.3623 -1131.9404 0.0000 0.0000 2729.4016 6237.0857 301.4700 3507.6841 6272.0252 302.4592 PRESSURE: 1599600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1599600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1599600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1599600 0 0 0 0 0 0 0 0 0 TIMING: 1599600 CPU: 6395.89, 0.00394976/step Wall: 6395.89, 0.00394976/step, 0.987879 hours remaining, 114.367188 MB of memory in use. ENERGY: 1599600 648.7850 1885.3155 1961.4368 120.9642 0.4643 -1088.1998 0.0000 0.0000 2723.3584 6252.1244 300.8025 3528.7660 6285.0667 301.7510 PRESSURE: 1599800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1599800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1599800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1599800 0 0 0 0 0 0 0 0 0 TIMING: 1599800 CPU: 6396.68, 0.00394971/step Wall: 6396.68, 0.00394971/step, 0.987647 hours remaining, 114.367188 MB of memory in use. ENERGY: 1599800 677.5141 1862.5088 1954.5809 116.4219 0.8481 -1118.3365 0.0000 0.0000 2751.1696 6244.7069 303.8743 3493.5373 6280.0749 302.1488 PRESSURE: 1600000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1600000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1600000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1600000 0 0 0 0 0 0 0 0 0 TIMING: 1600000 CPU: 6397.47, 0.00395083/step Wall: 6397.47, 0.00395083/step, 0.987708 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1600000 639.2747 1873.0748 1967.1203 111.8670 -0.8538 -1107.5772 0.0000 0.0000 2730.7137 6213.6195 301.6149 3482.9058 6247.6738 300.6733 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1600000 WRITING COORDINATES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1600200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1600200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1600200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1600200 0 0 0 0 0 0 0 0 0 TIMING: 1600200 CPU: 6400.42, 0.0147792/step Wall: 6400.42, 0.0147792/step, 3.69397 hours remaining, 114.367188 MB of memory in use. ENERGY: 1600200 647.9083 1893.7288 1973.5841 111.5309 1.5292 -1117.6814 0.0000 0.0000 2722.8817 6233.4817 300.7499 3510.5999 6266.7902 301.2453 LDB: ============= START OF LOAD BALANCING ============== 6403.38 LDB: ============== END OF LOAD BALANCING =============== 6403.38 LDB: =============== DONE WITH MIGRATION ================ 6403.38 LDB: ============= START OF LOAD BALANCING ============== 6403.78 LDB: ============== END OF LOAD BALANCING =============== 6403.78 LDB: =============== DONE WITH MIGRATION ================ 6403.78 PRESSURE: 1600400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1600400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1600400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1600400 0 0 0 0 0 0 0 0 0 TIMING: 1600400 CPU: 6401.21, 0.00395079/step Wall: 6401.21, 0.00395079/step, 0.987259 hours remaining, 114.367188 MB of memory in use. ENERGY: 1600400 643.5356 1892.6376 1980.2129 111.2969 0.9671 -1115.0640 0.0000 0.0000 2701.8148 6215.4008 298.4230 3513.5861 6246.8843 301.9194 PRESSURE: 1600600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1600600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1600600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1600600 0 0 0 0 0 0 0 0 0 TIMING: 1600600 CPU: 6402, 0.00394757/step Wall: 6402, 0.00394757/step, 0.986235 hours remaining, 114.367188 MB of memory in use. ENERGY: 1600600 654.9064 1878.3423 1976.7696 113.7485 0.9989 -1134.5699 0.0000 0.0000 2699.4520 6189.6478 298.1620 3490.1958 6224.6534 299.8203 PRESSURE: 1600800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1600800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1600800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1600800 0 0 0 0 0 0 0 0 0 TIMING: 1600800 CPU: 6402.79, 0.00394763/step Wall: 6402.79, 0.00394763/step, 0.986029 hours remaining, 114.367188 MB of memory in use. ENERGY: 1600800 623.2201 1897.3855 1979.7633 117.2623 -0.1954 -1127.4508 0.0000 0.0000 2736.7755 6226.7605 302.2845 3489.9850 6260.3367 298.9118 PRESSURE: 1601000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1601000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1601000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1601000 0 0 0 0 0 0 0 0 0 TIMING: 1601000 CPU: 6403.58, 0.00394921/step Wall: 6403.58, 0.0039492/step, 0.986204 hours remaining, 114.367188 MB of memory in use. ENERGY: 1601000 639.0423 1805.4819 1970.0797 103.7968 -0.1607 -1075.2480 0.0000 0.0000 2789.7831 6232.7750 308.1393 3442.9919 6270.1132 300.7876 PRESSURE: 1601200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1601200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1601200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1601200 0 0 0 0 0 0 0 0 0 TIMING: 1601200 CPU: 6404.37, 0.00396479/step Wall: 6404.37, 0.00396479/step, 0.989876 hours remaining, 114.367188 MB of memory in use. ENERGY: 1601200 651.5044 1871.4364 1988.4352 116.9182 1.6069 -1086.2859 0.0000 0.0000 2717.7111 6261.3263 300.1788 3543.6153 6293.9712 302.3156 PRESSURE: 1601400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1601400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1601400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1601400 0 0 0 0 0 0 0 0 0 TIMING: 1601400 CPU: 6405.16, 0.00394734/step Wall: 6405.16, 0.00394734/step, 0.9853 hours remaining, 114.367188 MB of memory in use. ENERGY: 1601400 640.7655 1861.6850 1997.2245 115.7201 0.0035 -1091.7965 0.0000 0.0000 2769.9948 6293.5970 305.9536 3523.6023 6325.4766 302.8282 PRESSURE: 1601600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1601600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1601600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1601600 0 0 0 0 0 0 0 0 0 TIMING: 1601600 CPU: 6405.95, 0.0039514/step Wall: 6405.95, 0.0039514/step, 0.986095 hours remaining, 114.367188 MB of memory in use. ENERGY: 1601600 654.3253 1883.5112 1985.7685 102.6838 1.5721 -1089.2826 0.0000 0.0000 2729.9507 6268.5292 301.5307 3538.5785 6303.9177 303.7582 PRESSURE: 1601800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1601800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1601800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1601800 0 0 0 0 0 0 0 0 0 TIMING: 1601800 CPU: 6406.74, 0.00394912/step Wall: 6406.74, 0.00394912/step, 0.985304 hours remaining, 114.367188 MB of memory in use. ENERGY: 1601800 619.3077 1885.3345 1982.5595 121.8535 0.9004 -1103.0383 0.0000 0.0000 2741.7762 6248.6935 302.8368 3506.9174 6277.6272 302.5824 PRESSURE: 1602000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1602000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1602000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1602000 0 0 0 0 0 0 0 0 0 TIMING: 1602000 CPU: 6407.53, 0.00395005/step Wall: 6407.53, 0.00395005/step, 0.985319 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1602000 650.4042 1864.5138 1970.3532 118.5152 1.3274 -1106.5294 0.0000 0.0000 2724.3771 6222.9615 300.9150 3498.5845 6254.3367 300.8557 PRESSURE: 1602200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1602200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1602200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1602200 0 0 0 0 0 0 0 0 0 TIMING: 1602200 CPU: 6408.32, 0.00394649/step Wall: 6408.32, 0.00394649/step, 0.98421 hours remaining, 114.367188 MB of memory in use. ENERGY: 1602200 644.9287 1810.7558 1969.9320 102.1012 0.9813 -1099.4926 0.0000 0.0000 2739.2393 6168.4455 302.5566 3429.2062 6204.5247 298.9377 PRESSURE: 1602400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1602400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1602400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1602400 0 0 0 0 0 0 0 0 0 TIMING: 1602400 CPU: 6409.11, 0.00394951/step Wall: 6409.11, 0.00394951/step, 0.984743 hours remaining, 114.367188 MB of memory in use. ENERGY: 1602400 635.4064 1860.6887 1950.4934 100.6268 1.2569 -1087.9852 0.0000 0.0000 2643.7701 6104.2572 292.0118 3460.4871 6133.2884 297.3287 PRESSURE: 1602600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1602600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1602600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1602600 0 0 0 0 0 0 0 0 0 TIMING: 1602600 CPU: 6409.9, 0.00394979/step Wall: 6409.9, 0.00394979/step, 0.984596 hours remaining, 114.367188 MB of memory in use. ENERGY: 1602600 651.1884 1856.6077 1966.1587 104.9203 -0.0540 -1102.5870 0.0000 0.0000 2651.1660 6127.4000 292.8287 3476.2341 6157.5663 295.3606 PRESSURE: 1602800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1602800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1602800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1602800 0 0 0 0 0 0 0 0 0 TIMING: 1602800 CPU: 6410.69, 0.00395101/step Wall: 6410.69, 0.00395101/step, 0.98468 hours remaining, 114.367188 MB of memory in use. ENERGY: 1602800 651.5980 1805.1217 1996.7764 101.6114 0.8134 -1133.9939 0.0000 0.0000 2757.6183 6179.5453 304.5866 3421.9271 6214.6947 297.6185 PRESSURE: 1603000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1603000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1603000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1603000 0 0 0 0 0 0 0 0 0 TIMING: 1603000 CPU: 6411.48, 0.00395146/step Wall: 6411.48, 0.00395146/step, 0.984573 hours remaining, 114.367188 MB of memory in use. ENERGY: 1603000 617.9748 1898.3617 1947.0745 112.6383 0.8497 -1122.0465 0.0000 0.0000 2737.1279 6191.9804 302.3234 3454.8525 6227.3199 300.3528 PRESSURE: 1603200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1603200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1603200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1603200 0 0 0 0 0 0 0 0 0 TIMING: 1603200 CPU: 6412.27, 0.00394457/step Wall: 6412.27, 0.00394457/step, 0.982636 hours remaining, 114.367188 MB of memory in use. ENERGY: 1603200 696.1300 1838.0254 1976.5432 105.2826 0.0769 -1115.4410 0.0000 0.0000 2728.0811 6228.6981 301.3242 3500.6170 6263.0727 301.6141 PRESSURE: 1603400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1603400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1603400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1603400 0 0 0 0 0 0 0 0 0 TIMING: 1603400 CPU: 6413.06, 0.00395087/step Wall: 6413.06, 0.00395087/step, 0.983985 hours remaining, 114.367188 MB of memory in use. ENERGY: 1603400 639.8644 1855.6228 1977.4169 108.1981 -0.4886 -1124.4542 0.0000 0.0000 2694.1029 6150.2623 297.5712 3456.1595 6182.8862 299.5800 PRESSURE: 1603600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1603600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1603600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1603600 0 0 0 0 0 0 0 0 0 TIMING: 1603600 CPU: 6413.85, 0.00395032/step Wall: 6413.85, 0.00395032/step, 0.983631 hours remaining, 114.367188 MB of memory in use. ENERGY: 1603600 665.2307 1840.2994 1965.2183 99.8268 -0.3232 -1086.3880 0.0000 0.0000 2664.1163 6147.9804 294.2591 3483.8641 6178.9116 297.6709 PRESSURE: 1603800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1603800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1603800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1603800 0 0 0 0 0 0 0 0 0 TIMING: 1603800 CPU: 6414.64, 0.00395037/step Wall: 6414.64, 0.00395037/step, 0.983423 hours remaining, 114.367188 MB of memory in use. ENERGY: 1603800 682.5162 1833.9948 2014.3999 112.4321 1.4837 -1139.7730 0.0000 0.0000 2641.2969 6146.3507 291.7386 3505.0538 6179.2213 295.4015 PRESSURE: 1604000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1604000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1604000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1604000 0 0 0 0 0 0 0 0 0 TIMING: 1604000 CPU: 6415.43, 0.00395142/step Wall: 6415.43, 0.00395142/step, 0.983464 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1604000 636.6912 1810.7150 2021.2748 106.8495 0.1211 -1107.2188 0.0000 0.0000 2662.7314 6131.1643 294.1061 3468.4328 6163.3428 295.0585 PRESSURE: 1604200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1604200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1604200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1604200 0 0 0 0 0 0 0 0 0 TIMING: 1604200 CPU: 6416.22, 0.00394583/step Wall: 6416.22, 0.00394583/step, 0.981853 hours remaining, 114.367188 MB of memory in use. ENERGY: 1604200 655.3740 1820.2313 1992.7408 108.6670 0.3920 -1135.5629 0.0000 0.0000 2652.3754 6094.2176 292.9623 3441.8422 6121.7189 296.3227 LDB: ============= START OF LOAD BALANCING ============== 6419.18 LDB: ============== END OF LOAD BALANCING =============== 6419.18 LDB: =============== DONE WITH MIGRATION ================ 6419.18 LDB: ============= START OF LOAD BALANCING ============== 6419.58 LDB: ============== END OF LOAD BALANCING =============== 6419.58 LDB: =============== DONE WITH MIGRATION ================ 6419.58 PRESSURE: 1604400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1604400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1604400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1604400 0 0 0 0 0 0 0 0 0 TIMING: 1604400 CPU: 6417.01, 0.00395604/step Wall: 6417.01, 0.00395604/step, 0.984175 hours remaining, 114.367188 MB of memory in use. ENERGY: 1604400 702.4443 1806.1632 1985.0331 118.2565 0.9982 -1129.4102 0.0000 0.0000 2680.5024 6163.9875 296.0690 3483.4851 6191.5491 295.8713 PRESSURE: 1604600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1604600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1604600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1604600 0 0 0 0 0 0 0 0 0 TIMING: 1604600 CPU: 6417.8, 0.00395429/step Wall: 6417.8, 0.00395429/step, 0.983519 hours remaining, 114.367188 MB of memory in use. ENERGY: 1604600 697.4153 1816.2623 1981.9676 111.7912 0.5871 -1111.5064 0.0000 0.0000 2692.7161 6189.2332 297.4180 3496.5171 6224.3684 298.9531 PRESSURE: 1604800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1604800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1604800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1604800 0 0 0 0 0 0 0 0 0 TIMING: 1604800 CPU: 6418.6, 0.00395924/step Wall: 6418.6, 0.00395924/step, 0.984532 hours remaining, 114.367188 MB of memory in use. ENERGY: 1604800 647.3553 1877.1645 1995.5313 119.7412 1.4820 -1125.1758 0.0000 0.0000 2704.9507 6221.0493 298.7693 3516.0986 6254.2850 299.3785 PRESSURE: 1605000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1605000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1605000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1605000 0 0 0 0 0 0 0 0 0 TIMING: 1605000 CPU: 6419.39, 0.00395213/step Wall: 6419.39, 0.00395213/step, 0.982542 hours remaining, 114.367188 MB of memory in use. ENERGY: 1605000 656.2439 1845.4990 2000.3882 120.3815 0.5605 -1143.7499 0.0000 0.0000 2699.7538 6179.0770 298.1953 3479.3232 6211.3798 299.6297 PRESSURE: 1605200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1605200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1605200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1605200 0 0 0 0 0 0 0 0 0 TIMING: 1605200 CPU: 6420.18, 0.00394704/step Wall: 6420.18, 0.00394704/step, 0.981057 hours remaining, 114.367188 MB of memory in use. ENERGY: 1605200 610.0478 1895.9494 2000.3039 107.1797 0.2900 -1127.8202 0.0000 0.0000 2683.0108 6168.9613 296.3460 3485.9505 6203.0574 298.2144 PRESSURE: 1605400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1605400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1605400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1605400 0 0 0 0 0 0 0 0 0 TIMING: 1605400 CPU: 6420.97, 0.0039512/step Wall: 6420.97, 0.0039512/step, 0.981873 hours remaining, 114.367188 MB of memory in use. ENERGY: 1605400 648.7306 1826.7327 1981.8820 108.0833 0.6348 -1079.2572 0.0000 0.0000 2674.9568 6161.7629 295.4564 3486.8061 6197.0212 297.6142 PRESSURE: 1605600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1605600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1605600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1605600 0 0 0 0 0 0 0 0 0 TIMING: 1605600 CPU: 6421.76, 0.00395184/step Wall: 6421.76, 0.00395184/step, 0.981814 hours remaining, 114.367188 MB of memory in use. ENERGY: 1605600 658.8702 1842.0758 1956.8798 97.0975 1.7571 -1118.1428 0.0000 0.0000 2706.3628 6144.9003 298.9253 3438.5376 6177.4230 297.6109 PRESSURE: 1605800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1605800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1605800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1605800 0 0 0 0 0 0 0 0 0 TIMING: 1605800 CPU: 6422.55, 0.00394931/step Wall: 6422.55, 0.00394931/step, 0.980964 hours remaining, 114.367188 MB of memory in use. ENERGY: 1605800 654.7966 1840.3419 2008.2195 112.9502 0.8507 -1095.4208 0.0000 0.0000 2691.4060 6213.1441 297.2733 3521.7381 6246.7319 297.8582 PRESSURE: 1606000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1606000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1606000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1606000 0 0 0 0 0 0 0 0 0 TIMING: 1606000 CPU: 6423.34, 0.00394585/step Wall: 6423.34, 0.00394585/step, 0.979887 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1606000 677.7813 1867.1565 1979.0584 106.8519 1.2103 -1115.8179 0.0000 0.0000 2718.0795 6234.3200 300.2194 3516.2405 6267.1579 298.7053 PRESSURE: 1606200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1606200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1606200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1606200 0 0 0 0 0 0 0 0 0 TIMING: 1606200 CPU: 6424.13, 0.00395098/step Wall: 6424.13, 0.00395098/step, 0.98094 hours remaining, 114.367188 MB of memory in use. ENERGY: 1606200 629.2993 1855.8143 1980.5117 103.0066 1.9720 -1087.1886 0.0000 0.0000 2712.2845 6195.6998 299.5794 3483.4153 6227.7155 299.3555 PRESSURE: 1606400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1606400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1606400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1606400 0 0 0 0 0 0 0 0 0 TIMING: 1606400 CPU: 6424.92, 0.00395175/step Wall: 6424.92, 0.00395175/step, 0.980911 hours remaining, 114.367188 MB of memory in use. ENERGY: 1606400 682.2613 1842.2970 1963.8516 113.3072 -0.2866 -1079.8764 0.0000 0.0000 2718.6511 6240.2051 300.2826 3521.5541 6276.2635 300.1396 PRESSURE: 1606600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1606600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1606600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1606600 0 0 0 0 0 0 0 0 0 TIMING: 1606600 CPU: 6425.71, 0.0039538/step Wall: 6425.71, 0.0039538/step, 0.981201 hours remaining, 114.367188 MB of memory in use. ENERGY: 1606600 646.5407 1883.1294 1988.6788 97.5472 -0.6963 -1079.7569 0.0000 0.0000 2708.1628 6243.6057 299.1241 3535.4429 6274.2131 300.8474 PRESSURE: 1606800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1606800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1606800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1606800 0 0 0 0 0 0 0 0 0 TIMING: 1606800 CPU: 6426.5, 0.00395173/step Wall: 6426.5, 0.00395173/step, 0.980468 hours remaining, 114.367188 MB of memory in use. ENERGY: 1606800 654.3483 1856.5160 1952.6938 105.7668 0.1324 -1081.2739 0.0000 0.0000 2746.0544 6234.2376 303.3094 3488.1833 6270.4359 301.4422 PRESSURE: 1607000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1607000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1607000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1607000 0 0 0 0 0 0 0 0 0 TIMING: 1607000 CPU: 6427.29, 0.00394543/step Wall: 6427.29, 0.00394543/step, 0.978686 hours remaining, 114.367188 MB of memory in use. ENERGY: 1607000 648.6801 1859.9628 1971.8299 104.9514 0.0709 -1093.2874 0.0000 0.0000 2706.4069 6198.6147 298.9302 3492.2078 6232.9011 298.6133 PRESSURE: 1607200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1607200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1607200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1607200 0 0 0 0 0 0 0 0 0 TIMING: 1607200 CPU: 6428.08, 0.00395271/step Wall: 6428.08, 0.00395271/step, 0.980273 hours remaining, 114.367188 MB of memory in use. ENERGY: 1607200 668.5048 1811.4483 1976.5842 115.1047 0.5123 -1103.6592 0.0000 0.0000 2720.9308 6189.4258 300.5344 3468.4951 6223.5081 299.0757 PRESSURE: 1607400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1607400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1607400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1607400 0 0 0 0 0 0 0 0 0 TIMING: 1607400 CPU: 6428.87, 0.00395105/step Wall: 6428.87, 0.00395104/step, 0.979639 hours remaining, 114.367188 MB of memory in use. ENERGY: 1607400 662.3705 1828.7741 1992.9322 111.6545 1.2161 -1085.2495 0.0000 0.0000 2660.6184 6172.3163 293.8727 3511.6979 6204.4664 298.0802 PRESSURE: 1607600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1607600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1607600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1607600 0 0 0 0 0 0 0 0 0 TIMING: 1607600 CPU: 6429.66, 0.0039522/step Wall: 6429.66, 0.0039522/step, 0.979707 hours remaining, 114.367188 MB of memory in use. ENERGY: 1607600 607.5443 1842.1647 1991.6498 102.2753 -0.2829 -1075.9578 0.0000 0.0000 2746.5766 6213.9700 303.3670 3467.3935 6250.6135 298.5009 PRESSURE: 1607800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1607800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1607800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1607800 0 0 0 0 0 0 0 0 0 TIMING: 1607800 CPU: 6430.45, 0.00395061/step Wall: 6430.45, 0.00395061/step, 0.979093 hours remaining, 114.367188 MB of memory in use. ENERGY: 1607800 657.8984 1850.5057 1992.5582 114.8027 0.4226 -1081.0518 0.0000 0.0000 2658.0681 6193.2039 293.5910 3535.1358 6224.7297 298.2982 PRESSURE: 1608000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1608000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1608000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1608000 0 0 0 0 0 0 0 0 0 TIMING: 1608000 CPU: 6431.24, 0.00394632/step Wall: 6431.24, 0.00394631/step, 0.977808 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1608000 650.8693 1842.4054 1963.2904 106.1711 0.8970 -1085.1782 0.0000 0.0000 2677.1930 6155.6481 295.7034 3478.4551 6188.1142 296.8306 PRESSURE: 1608200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1608200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1608200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1608200 0 0 0 0 0 0 0 0 0 TIMING: 1608200 CPU: 6432.03, 0.00395012/step Wall: 6432.03, 0.00395012/step, 0.978534 hours remaining, 114.367188 MB of memory in use. ENERGY: 1608200 638.5906 1845.7626 1977.5988 100.4216 -0.6159 -1061.7067 0.0000 0.0000 2627.1139 6127.1649 290.1720 3500.0510 6159.4157 296.8382 LDB: ============= START OF LOAD BALANCING ============== 6434.99 LDB: ============== END OF LOAD BALANCING =============== 6434.99 LDB: =============== DONE WITH MIGRATION ================ 6434.99 LDB: ============= START OF LOAD BALANCING ============== 6435.38 LDB: ============== END OF LOAD BALANCING =============== 6435.38 LDB: =============== DONE WITH MIGRATION ================ 6435.38 PRESSURE: 1608400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1608400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1608400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1608400 0 0 0 0 0 0 0 0 0 TIMING: 1608400 CPU: 6432.82, 0.00395489/step Wall: 6432.82, 0.00395489/step, 0.979493 hours remaining, 114.367188 MB of memory in use. ENERGY: 1608400 668.1067 1826.4770 1978.6181 112.4571 0.4087 -1158.4400 0.0000 0.0000 2694.0213 6121.6489 297.5622 3427.6276 6154.3381 294.6294 PRESSURE: 1608600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1608600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1608600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1608600 0 0 0 0 0 0 0 0 0 TIMING: 1608600 CPU: 6433.61, 0.00395017/step Wall: 6433.61, 0.00395017/step, 0.978106 hours remaining, 114.367188 MB of memory in use. ENERGY: 1608600 679.3776 1818.8653 1972.8014 105.6989 1.2888 -1083.7645 0.0000 0.0000 2768.8962 6263.1636 305.8323 3494.2674 6297.6656 299.0867 PRESSURE: 1608800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1608800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1608800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1608800 0 0 0 0 0 0 0 0 0 TIMING: 1608800 CPU: 6434.4, 0.00395034/step Wall: 6434.4, 0.00395034/step, 0.977929 hours remaining, 114.367188 MB of memory in use. ENERGY: 1608800 662.1812 1863.9418 1956.9204 104.2075 2.2669 -1082.7375 0.0000 0.0000 2786.4571 6293.2374 307.7719 3506.7803 6325.1529 302.9922 PRESSURE: 1609000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1609000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1609000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1609000 0 0 0 0 0 0 0 0 0 TIMING: 1609000 CPU: 6435.19, 0.0039444/step Wall: 6435.19, 0.0039444/step, 0.976238 hours remaining, 114.367188 MB of memory in use. ENERGY: 1609000 633.7939 1853.1693 1973.9592 120.1860 -0.1162 -1113.3313 0.0000 0.0000 2776.1552 6243.8161 306.6341 3467.6609 6279.0731 301.7365 PRESSURE: 1609200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1609200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1609200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1609200 0 0 0 0 0 0 0 0 0 TIMING: 1609200 CPU: 6435.98, 0.00394929/step Wall: 6435.98, 0.00394929/step, 0.977231 hours remaining, 114.367188 MB of memory in use. ENERGY: 1609200 685.2167 1875.9217 1979.0707 126.0093 0.7188 -1116.5259 0.0000 0.0000 2682.9295 6233.3409 296.3370 3550.4113 6266.3857 300.6442 PRESSURE: 1609400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1609400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1609400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1609400 0 0 0 0 0 0 0 0 0 TIMING: 1609400 CPU: 6436.77, 0.00395185/step Wall: 6436.77, 0.00395185/step, 0.977643 hours remaining, 114.367188 MB of memory in use. ENERGY: 1609400 635.0913 1861.2368 1970.3084 115.4269 0.8264 -1077.4714 0.0000 0.0000 2698.5938 6204.0121 298.0672 3505.4183 6238.0318 300.6837 PRESSURE: 1609600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1609600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1609600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1609600 0 0 0 0 0 0 0 0 0 TIMING: 1609600 CPU: 6437.56, 0.00395177/step Wall: 6437.56, 0.00395177/step, 0.977403 hours remaining, 114.367188 MB of memory in use. ENERGY: 1609600 644.2962 1822.7071 1935.9215 115.2663 1.2380 -1081.8392 0.0000 0.0000 2759.1351 6196.7249 304.7542 3437.5899 6232.4008 299.3841 PRESSURE: 1609800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1609800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1609800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1609800 0 0 0 0 0 0 0 0 0 TIMING: 1609800 CPU: 6438.35, 0.00394531/step Wall: 6438.35, 0.00394531/step, 0.975586 hours remaining, 114.367188 MB of memory in use. ENERGY: 1609800 681.2458 1879.9492 2007.8657 108.9436 1.5410 -1133.2392 0.0000 0.0000 2698.3708 6244.6769 298.0426 3546.3061 6277.4290 300.9244 PRESSURE: 1610000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1610000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1610000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1610000 0 0 0 0 0 0 0 0 0 TIMING: 1610000 CPU: 6439.14, 0.00395364/step Wall: 6439.14, 0.00395364/step, 0.977427 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1610000 647.5480 1816.4769 1999.1068 109.8598 1.5331 -1117.7166 0.0000 0.0000 2763.2951 6220.1032 305.2136 3456.8081 6255.5031 302.3210 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1610000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1610000 WRITING COORDINATES TO RESTART FILE AT STEP 1610000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1610000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1610200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1610200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1610200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1610200 0 0 0 0 0 0 0 0 0 TIMING: 1610200 CPU: 6439.96, 0.00412182/step Wall: 6439.96, 0.00412182/step, 1.01878 hours remaining, 114.367188 MB of memory in use. ENERGY: 1610200 715.0129 1885.8341 1961.3040 104.0961 0.1878 -1080.9479 0.0000 0.0000 2681.1576 6266.6446 296.1413 3585.4870 6293.5235 301.2662 PRESSURE: 1610400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1610400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1610400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1610400 0 0 0 0 0 0 0 0 0 TIMING: 1610400 CPU: 6440.75, 0.00395298/step Wall: 6440.75, 0.00395298/step, 0.976826 hours remaining, 114.367188 MB of memory in use. ENERGY: 1610400 636.7953 1847.2512 1986.5674 112.3732 0.1737 -1074.7640 0.0000 0.0000 2727.6868 6236.0836 301.2806 3508.3968 6270.0054 302.7761 PRESSURE: 1610600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1610600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1610600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1610600 0 0 0 0 0 0 0 0 0 TIMING: 1610600 CPU: 6441.54, 0.00395298/step Wall: 6441.54, 0.00395298/step, 0.976606 hours remaining, 114.367188 MB of memory in use. ENERGY: 1610600 653.9212 1836.8548 1954.2367 110.2953 3.1396 -1104.7007 0.0000 0.0000 2722.3148 6176.0616 300.6873 3453.7468 6206.8603 299.2284 PRESSURE: 1610800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1610800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1610800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1610800 0 0 0 0 0 0 0 0 0 TIMING: 1610800 CPU: 6442.33, 0.00394623/step Wall: 6442.33, 0.00394623/step, 0.974719 hours remaining, 114.367188 MB of memory in use. ENERGY: 1610800 684.2461 1870.5274 1980.8505 110.6572 0.2436 -1121.8645 0.0000 0.0000 2682.8141 6207.4746 296.3243 3524.6604 6238.1621 297.9960 PRESSURE: 1611000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1611000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1611000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1611000 0 0 0 0 0 0 0 0 0 TIMING: 1611000 CPU: 6443.12, 0.00395331/step Wall: 6443.12, 0.00395331/step, 0.976248 hours remaining, 114.367188 MB of memory in use. ENERGY: 1611000 638.3424 1838.7641 1952.3214 98.6863 0.7996 -1075.3036 0.0000 0.0000 2725.6329 6179.2430 301.0537 3453.6101 6212.9276 299.4796 PRESSURE: 1611200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1611200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1611200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1611200 0 0 0 0 0 0 0 0 0 TIMING: 1611200 CPU: 6443.91, 0.00395253/step Wall: 6443.91, 0.00395253/step, 0.975836 hours remaining, 114.367188 MB of memory in use. ENERGY: 1611200 657.9305 1845.5393 1948.8590 114.2769 1.4152 -1075.1015 0.0000 0.0000 2682.9388 6175.8582 296.3381 3492.9194 6208.4433 297.6622 PRESSURE: 1611400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1611400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1611400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1611400 0 0 0 0 0 0 0 0 0 TIMING: 1611400 CPU: 6444.7, 0.0039533/step Wall: 6444.7, 0.0039533/step, 0.975807 hours remaining, 114.367188 MB of memory in use. ENERGY: 1611400 634.8663 1905.2109 1934.3090 111.3774 1.5804 -1093.7103 0.0000 0.0000 2689.2516 6182.8853 297.0353 3493.6336 6218.8436 297.1923 PRESSURE: 1611600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1611600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1611600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1611600 0 0 0 0 0 0 0 0 0 TIMING: 1611600 CPU: 6445.5, 0.00395266/step Wall: 6445.5, 0.00395266/step, 0.975428 hours remaining, 114.367188 MB of memory in use. ENERGY: 1611600 641.8346 1821.5187 1973.7846 107.9597 0.7583 -1096.1469 0.0000 0.0000 2651.4648 6101.1738 292.8617 3449.7090 6133.6522 296.9556 PRESSURE: 1611800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1611800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1611800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1611800 0 0 0 0 0 0 0 0 0 TIMING: 1611800 CPU: 6446.28, 0.00394593/step Wall: 6446.28, 0.00394593/step, 0.973549 hours remaining, 114.367188 MB of memory in use. ENERGY: 1611800 631.8045 1834.1584 1945.2320 107.1142 1.4632 -1088.4675 0.0000 0.0000 2677.7478 6109.0525 295.7647 3431.3047 6139.6353 294.9453 PRESSURE: 1612000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1612000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1612000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1612000 0 0 0 0 0 0 0 0 0 TIMING: 1612000 CPU: 6447.07, 0.00395222/step Wall: 6447.07, 0.00395222/step, 0.974881 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1612000 653.0684 1832.7819 1938.2496 99.1033 -0.8877 -1120.0967 0.0000 0.0000 2723.5500 6125.7688 300.8237 3402.2188 6162.8521 294.4360 PRESSURE: 1612200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1612200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1612200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1612200 0 0 0 0 0 0 0 0 0 TIMING: 1612200 CPU: 6447.87, 0.00395265/step Wall: 6447.87, 0.00395265/step, 0.974766 hours remaining, 114.367188 MB of memory in use. ENERGY: 1612200 657.7681 1847.2633 1964.8045 98.0158 0.9443 -1104.1689 0.0000 0.0000 2661.1324 6125.7595 293.9295 3464.6271 6155.6907 295.6708 LDB: ============= START OF LOAD BALANCING ============== 6450.82 LDB: ============== END OF LOAD BALANCING =============== 6450.82 LDB: =============== DONE WITH MIGRATION ================ 6450.82 LDB: ============= START OF LOAD BALANCING ============== 6451.22 LDB: ============== END OF LOAD BALANCING =============== 6451.22 LDB: =============== DONE WITH MIGRATION ================ 6451.22 PRESSURE: 1612400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1612400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1612400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1612400 0 0 0 0 0 0 0 0 0 TIMING: 1612400 CPU: 6448.66, 0.0039577/step Wall: 6448.66, 0.0039577/step, 0.975793 hours remaining, 114.367188 MB of memory in use. ENERGY: 1612400 630.4919 1876.0667 1950.5709 112.3780 0.8866 -1105.7957 0.0000 0.0000 2678.8097 6143.4081 295.8820 3464.5984 6177.3467 295.2488 PRESSURE: 1612600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1612600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1612600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1612600 0 0 0 0 0 0 0 0 0 TIMING: 1612600 CPU: 6449.45, 0.00395514/step Wall: 6449.45, 0.00395514/step, 0.974942 hours remaining, 114.367188 MB of memory in use. ENERGY: 1612600 649.3981 1899.8701 1952.7343 86.1406 0.4857 -1119.6389 0.0000 0.0000 2681.2293 6150.2193 296.1492 3468.9900 6181.7223 297.9243 PRESSURE: 1612800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1612800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1612800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1612800 0 0 0 0 0 0 0 0 0 TIMING: 1612800 CPU: 6450.24, 0.00394727/step Wall: 6450.24, 0.00394727/step, 0.972784 hours remaining, 114.367188 MB of memory in use. ENERGY: 1612800 636.6868 1856.1862 1936.3930 117.9847 1.4854 -1090.0440 0.0000 0.0000 2691.7485 6150.4406 297.3111 3458.6921 6182.6658 298.7692 PRESSURE: 1613000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1613000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1613000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1613000 0 0 0 0 0 0 0 0 0 TIMING: 1613000 CPU: 6451.03, 0.0039541/step Wall: 6451.03, 0.0039541/step, 0.974246 hours remaining, 114.367188 MB of memory in use. ENERGY: 1613000 651.7749 1844.1848 1928.4483 106.3288 1.6399 -1089.2733 0.0000 0.0000 2717.9940 6161.0975 300.2100 3443.1035 6193.9709 297.8730 PRESSURE: 1613200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1613200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1613200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1613200 0 0 0 0 0 0 0 0 0 TIMING: 1613200 CPU: 6451.82, 0.00395254/step Wall: 6451.82, 0.00395254/step, 0.973642 hours remaining, 114.367188 MB of memory in use. ENERGY: 1613200 656.7592 1883.8402 1953.4996 106.2985 1.0971 -1110.4020 0.0000 0.0000 2685.2756 6176.3681 296.5962 3491.0925 6208.4336 299.3552 PRESSURE: 1613400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1613400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1613400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1613400 0 0 0 0 0 0 0 0 0 TIMING: 1613400 CPU: 6452.61, 0.00395315/step Wall: 6452.61, 0.00395315/step, 0.973573 hours remaining, 114.367188 MB of memory in use. ENERGY: 1613400 642.0291 1896.4743 1967.0106 108.6182 0.3592 -1092.5467 0.0000 0.0000 2677.8871 6199.8319 295.7801 3521.9448 6229.9992 301.0893 PRESSURE: 1613600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1613600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1613600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1613600 0 0 0 0 0 0 0 0 0 TIMING: 1613600 CPU: 6453.4, 0.00394779/step Wall: 6453.4, 0.00394779/step, 0.972033 hours remaining, 114.367188 MB of memory in use. ENERGY: 1613600 671.0071 1818.2813 1975.8939 121.6394 1.2258 -1078.0107 0.0000 0.0000 2677.2544 6187.2912 295.7102 3510.0368 6217.6085 297.3981 PRESSURE: 1613800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1613800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1613800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1613800 0 0 0 0 0 0 0 0 0 TIMING: 1613800 CPU: 6454.19, 0.00395397/step Wall: 6454.19, 0.00395397/step, 0.973335 hours remaining, 114.367188 MB of memory in use. ENERGY: 1613800 660.2871 1843.4846 1940.0852 120.9129 1.8816 -1074.1459 0.0000 0.0000 2666.9731 6159.4787 294.5746 3492.5056 6193.3674 298.0031 PRESSURE: 1614000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1614000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1614000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1614000 0 0 0 0 0 0 0 0 0 TIMING: 1614000 CPU: 6454.98, 0.00395262/step Wall: 6454.98, 0.00395262/step, 0.972784 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1614000 654.4656 1882.5414 1936.6765 108.4536 1.1603 -1098.4960 0.0000 0.0000 2658.1493 6142.9507 293.6000 3484.8014 6172.3391 297.6434 PRESSURE: 1614200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1614200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1614200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1614200 0 0 0 0 0 0 0 0 0 TIMING: 1614200 CPU: 6455.77, 0.00395329/step Wall: 6455.77, 0.0039533/step, 0.972731 hours remaining, 114.367188 MB of memory in use. ENERGY: 1614200 645.8112 1840.7213 1976.3561 106.3184 0.9220 -1101.9921 0.0000 0.0000 2676.6160 6144.7530 295.6397 3468.1370 6176.5792 296.3975 PRESSURE: 1614400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1614400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1614400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1614400 0 0 0 0 0 0 0 0 0 TIMING: 1614400 CPU: 6456.56, 0.00395303/step Wall: 6456.56, 0.00395303/step, 0.972445 hours remaining, 114.367188 MB of memory in use. ENERGY: 1614400 680.0349 1814.2576 1974.3508 106.8746 0.2970 -1123.5106 0.0000 0.0000 2704.5934 6156.8977 298.7299 3452.3043 6189.7474 297.7938 PRESSURE: 1614600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1614600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1614600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1614600 0 0 0 0 0 0 0 0 0 TIMING: 1614600 CPU: 6457.35, 0.00394765/step Wall: 6457.35, 0.00394765/step, 0.970904 hours remaining, 114.367188 MB of memory in use. ENERGY: 1614600 658.1792 1814.2295 2010.2102 109.2899 1.0892 -1126.4075 0.0000 0.0000 2715.7365 6182.3271 299.9607 3466.5906 6212.5868 297.8152 PRESSURE: 1614800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1614800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1614800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1614800 0 0 0 0 0 0 0 0 0 TIMING: 1614800 CPU: 6458.14, 0.00395303/step Wall: 6458.14, 0.00395303/step, 0.972007 hours remaining, 114.367188 MB of memory in use. ENERGY: 1614800 672.6892 1812.6048 1965.9765 100.0703 0.5542 -1126.1299 0.0000 0.0000 2679.8959 6105.6611 296.0020 3425.7652 6135.3077 297.2306 PRESSURE: 1615000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1615000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1615000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1615000 0 0 0 0 0 0 0 0 0 TIMING: 1615000 CPU: 6458.93, 0.00395945/step Wall: 6458.93, 0.00395945/step, 0.973365 hours remaining, 114.367188 MB of memory in use. ENERGY: 1615000 661.8395 1844.3870 1972.8120 101.3905 1.9623 -1080.4514 0.0000 0.0000 2637.1852 6139.1252 291.2845 3501.9399 6169.4119 296.9583 PRESSURE: 1615200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1615200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1615200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1615200 0 0 0 0 0 0 0 0 0 TIMING: 1615200 CPU: 6459.72, 0.00395184/step Wall: 6459.72, 0.00395184/step, 0.971274 hours remaining, 114.367188 MB of memory in use. ENERGY: 1615200 628.9421 1851.0872 1992.0363 118.0710 1.9485 -1139.9311 0.0000 0.0000 2698.1316 6150.2854 298.0161 3452.1539 6185.5921 297.3691 PRESSURE: 1615400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1615400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1615400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1615400 0 0 0 0 0 0 0 0 0 TIMING: 1615400 CPU: 6460.51, 0.00395091/step Wall: 6460.51, 0.00395091/step, 0.970827 hours remaining, 114.367188 MB of memory in use. ENERGY: 1615400 640.4794 1816.4927 1970.0011 107.8333 2.1859 -1090.6378 0.0000 0.0000 2731.0438 6177.3984 301.6514 3446.3546 6211.5720 297.3548 PRESSURE: 1615600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1615600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1615600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1615600 0 0 0 0 0 0 0 0 0 TIMING: 1615600 CPU: 6461.3, 0.00394587/step Wall: 6461.3, 0.00394587/step, 0.969369 hours remaining, 114.367188 MB of memory in use. ENERGY: 1615600 654.2174 1855.2430 1978.9176 115.7588 2.3139 -1090.1759 0.0000 0.0000 2677.0636 6193.3384 295.6891 3516.2748 6222.7207 297.8312 PRESSURE: 1615800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1615800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1615800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1615800 0 0 0 0 0 0 0 0 0 TIMING: 1615800 CPU: 6462.09, 0.00395077/step Wall: 6462.09, 0.00395077/step, 0.970352 hours remaining, 114.367188 MB of memory in use. ENERGY: 1615800 660.5029 1849.7605 1959.0775 105.7951 0.9263 -1107.1999 0.0000 0.0000 2720.3538 6189.2162 300.4707 3468.8624 6221.8139 299.3723 PRESSURE: 1616000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1616000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1616000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1616000 0 0 0 0 0 0 0 0 0 TIMING: 1616000 CPU: 6462.88, 0.00395025/step Wall: 6462.88, 0.00395025/step, 0.970007 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1616000 628.4932 1856.2317 1998.8863 113.0515 0.6615 -1079.2578 0.0000 0.0000 2658.3916 6176.4580 293.6268 3518.0664 6207.6879 299.2684 PRESSURE: 1616200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1616200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1616200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1616200 0 0 0 0 0 0 0 0 0 TIMING: 1616200 CPU: 6463.68, 0.00396238/step Wall: 6463.68, 0.00396238/step, 0.972765 hours remaining, 114.367188 MB of memory in use. ENERGY: 1616200 628.4301 1828.1796 1958.0361 101.2046 0.2257 -1099.0569 0.0000 0.0000 2673.3313 6090.3507 295.2769 3417.0193 6121.3657 296.8857 LDB: ============= START OF LOAD BALANCING ============== 6466.64 LDB: ============== END OF LOAD BALANCING =============== 6466.64 LDB: =============== DONE WITH MIGRATION ================ 6466.64 LDB: ============= START OF LOAD BALANCING ============== 6467.04 LDB: ============== END OF LOAD BALANCING =============== 6467.04 LDB: =============== DONE WITH MIGRATION ================ 6467.04 PRESSURE: 1616400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1616400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1616400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1616400 0 0 0 0 0 0 0 0 0 TIMING: 1616400 CPU: 6464.47, 0.00397939/step Wall: 6464.47, 0.00397939/step, 0.976719 hours remaining, 114.367188 MB of memory in use. ENERGY: 1616400 633.3593 1809.4155 1965.6218 104.0143 0.4666 -1108.4106 0.0000 0.0000 2711.7205 6116.1874 299.5171 3404.4669 6150.5015 295.8320 PRESSURE: 1616600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1616600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1616600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1616600 0 0 0 0 0 0 0 0 0 TIMING: 1616600 CPU: 6465.26, 0.00395488/step Wall: 6465.26, 0.00395488/step, 0.970482 hours remaining, 114.367188 MB of memory in use. ENERGY: 1616600 628.0829 1882.6656 1981.4645 106.3984 1.0402 -1102.7779 0.0000 0.0000 2635.7535 6132.6272 291.1263 3496.8736 6166.2879 294.9431 PRESSURE: 1616800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1616800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1616800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1616800 0 0 0 0 0 0 0 0 0 TIMING: 1616800 CPU: 6466.05, 0.00395323/step Wall: 6466.05, 0.00395323/step, 0.969859 hours remaining, 114.367188 MB of memory in use. ENERGY: 1616800 609.3263 1862.3223 1971.8229 109.0636 0.2873 -1111.9469 0.0000 0.0000 2700.5208 6141.3962 298.2800 3440.8754 6177.6549 297.1314 PRESSURE: 1617000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1617000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1617000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1617000 0 0 0 0 0 0 0 0 0 TIMING: 1617000 CPU: 6466.84, 0.00395194/step Wall: 6466.84, 0.00395194/step, 0.969324 hours remaining, 114.367188 MB of memory in use. ENERGY: 1617000 651.2158 1869.2256 1972.4055 136.9505 0.5012 -1139.7922 0.0000 0.0000 2678.6668 6169.1731 295.8662 3490.5063 6201.1897 297.9532 PRESSURE: 1617200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1617200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1617200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1617200 0 0 0 0 0 0 0 0 0 TIMING: 1617200 CPU: 6467.64, 0.00396097/step Wall: 6467.64, 0.00396097/step, 0.971318 hours remaining, 114.367188 MB of memory in use. ENERGY: 1617200 613.6639 1838.7578 2024.1030 110.3120 1.1638 -1096.8957 0.0000 0.0000 2660.8170 6151.9219 293.8947 3491.1049 6186.3478 298.2586 PRESSURE: 1617400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1617400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1617400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1617400 0 0 0 0 0 0 0 0 0 TIMING: 1617400 CPU: 6468.43, 0.00394703/step Wall: 6468.43, 0.00394703/step, 0.96768 hours remaining, 114.367188 MB of memory in use. ENERGY: 1617400 649.2221 1788.0263 2012.8391 109.3269 0.9306 -1116.6675 0.0000 0.0000 2742.1790 6185.8565 302.8813 3443.6775 6222.5790 297.0157 PRESSURE: 1617600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1617600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1617600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1617600 0 0 0 0 0 0 0 0 0 TIMING: 1617600 CPU: 6469.22, 0.00395187/step Wall: 6469.22, 0.00395187/step, 0.968648 hours remaining, 114.367188 MB of memory in use. ENERGY: 1617600 639.6044 1896.1630 1972.8853 100.2204 1.5278 -1114.2625 0.0000 0.0000 2762.3451 6258.4836 305.1087 3496.1384 6293.1224 302.1901 PRESSURE: 1617800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1617800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1617800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1617800 0 0 0 0 0 0 0 0 0 TIMING: 1617800 CPU: 6470.01, 0.00395155/step Wall: 6470.01, 0.00395155/step, 0.96835 hours remaining, 114.367188 MB of memory in use. ENERGY: 1617800 716.3741 1856.7341 1986.9988 117.7563 1.3420 -1107.9066 0.0000 0.0000 2706.8887 6278.1874 298.9834 3571.2987 6308.4721 302.6853 PRESSURE: 1618000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1618000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1618000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1618000 0 0 0 0 0 0 0 0 0 TIMING: 1618000 CPU: 6470.8, 0.00395267/step Wall: 6470.8, 0.00395267/step, 0.968405 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1618000 686.3460 1840.7148 1971.3410 110.4159 2.5948 -1101.3466 0.0000 0.0000 2724.1000 6234.1659 300.8844 3510.0659 6265.5647 302.8708 PRESSURE: 1618200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1618200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1618200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1618200 0 0 0 0 0 0 0 0 0 TIMING: 1618200 CPU: 6471.59, 0.00395287/step Wall: 6471.59, 0.00395287/step, 0.968232 hours remaining, 114.367188 MB of memory in use. ENERGY: 1618200 689.2689 1816.0178 1950.1201 116.2685 1.8954 -1094.3631 0.0000 0.0000 2673.8937 6153.1013 295.3390 3479.2076 6185.1807 299.5943 PRESSURE: 1618400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1618400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1618400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1618400 0 0 0 0 0 0 0 0 0 TIMING: 1618400 CPU: 6472.38, 0.00394634/step Wall: 6472.38, 0.00394634/step, 0.966415 hours remaining, 114.367188 MB of memory in use. ENERGY: 1618400 653.8775 1830.6861 1935.3950 106.6056 3.1046 -1090.4092 0.0000 0.0000 2704.1585 6143.4180 298.6818 3439.2595 6178.0704 297.3634 PRESSURE: 1618600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1618600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1618600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1618600 0 0 0 0 0 0 0 0 0 TIMING: 1618600 CPU: 6473.17, 0.00395276/step Wall: 6473.17, 0.00395276/step, 0.967767 hours remaining, 114.367188 MB of memory in use. ENERGY: 1618600 649.3525 1851.4667 1963.6634 103.1317 1.6909 -1097.8579 0.0000 0.0000 2725.3309 6196.7782 301.0204 3471.4474 6230.5329 297.8578 PRESSURE: 1618800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1618800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1618800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1618800 0 0 0 0 0 0 0 0 0 TIMING: 1618800 CPU: 6473.96, 0.00395098/step Wall: 6473.96, 0.00395098/step, 0.967112 hours remaining, 114.367188 MB of memory in use. ENERGY: 1618800 710.9683 1822.4623 1963.2844 113.8332 2.6606 -1082.3948 0.0000 0.0000 2723.3876 6254.2015 300.8057 3530.8140 6286.2881 300.6178 PRESSURE: 1619000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1619000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1619000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1619000 0 0 0 0 0 0 0 0 0 TIMING: 1619000 CPU: 6474.75, 0.00395225/step Wall: 6474.75, 0.00395225/step, 0.967204 hours remaining, 114.367188 MB of memory in use. ENERGY: 1619000 648.2792 1835.5288 1968.7537 106.0714 2.6069 -1084.2821 0.0000 0.0000 2748.5904 6225.5484 303.5895 3476.9580 6258.0639 301.9461 PRESSURE: 1619200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1619200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1619200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1619200 0 0 0 0 0 0 0 0 0 TIMING: 1619200 CPU: 6475.54, 0.00395279/step Wall: 6475.54, 0.00395279/step, 0.967116 hours remaining, 114.367188 MB of memory in use. ENERGY: 1619200 670.5950 1904.9443 1956.3884 107.2382 2.2802 -1105.3667 0.0000 0.0000 2703.4400 6239.5193 298.6025 3536.0794 6269.9102 301.9335 PRESSURE: 1619400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1619400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1619400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1619400 0 0 0 0 0 0 0 0 0 TIMING: 1619400 CPU: 6476.33, 0.00394709/step Wall: 6476.33, 0.00394709/step, 0.965502 hours remaining, 114.367188 MB of memory in use. ENERGY: 1619400 664.5302 1836.1099 1946.6158 114.3417 0.8967 -1077.7730 0.0000 0.0000 2705.8135 6190.5348 298.8646 3484.7213 6224.8263 299.2909 PRESSURE: 1619600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1619600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1619600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1619600 0 0 0 0 0 0 0 0 0 TIMING: 1619600 CPU: 6477.12, 0.00395079/step Wall: 6477.12, 0.00395079/step, 0.966187 hours remaining, 114.367188 MB of memory in use. ENERGY: 1619600 676.4762 1832.0305 1978.1233 104.7153 -0.0137 -1121.3225 0.0000 0.0000 2728.4247 6198.4338 301.3621 3470.0091 6235.3052 300.5151 PRESSURE: 1619800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1619800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1619800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1619800 0 0 0 0 0 0 0 0 0 TIMING: 1619800 CPU: 6477.91, 0.00395178/step Wall: 6477.91, 0.00395178/step, 0.966209 hours remaining, 114.367188 MB of memory in use. ENERGY: 1619800 692.3405 1902.1182 1957.1771 99.8378 1.1291 -1128.1528 0.0000 0.0000 2781.2152 6305.6652 307.1930 3524.4500 6339.7874 302.7933 PRESSURE: 1620000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1620000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1620000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1620000 0 0 0 0 0 0 0 0 0 TIMING: 1620000 CPU: 6478.7, 0.00395209/step Wall: 6478.7, 0.00395209/step, 0.966067 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1620000 658.4475 1884.0502 1941.2128 113.6082 -0.0572 -1068.5279 0.0000 0.0000 2758.6638 6287.3974 304.7021 3528.7336 6318.5821 304.1611 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1620000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1620000 WRITING COORDINATES TO RESTART FILE AT STEP 1620000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1620000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1620200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1620200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1620200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1620200 0 0 0 0 0 0 0 0 0 TIMING: 1620200 CPU: 6479.52, 0.00411548/step Wall: 6479.52, 0.00411548/step, 1.00578 hours remaining, 114.367188 MB of memory in use. ENERGY: 1620200 682.1011 1869.9186 1967.0773 108.8207 0.5144 -1042.0193 0.0000 0.0000 2723.8660 6310.2789 300.8586 3586.4129 6343.5598 304.3419 LDB: ============= START OF LOAD BALANCING ============== 6482.48 LDB: ============== END OF LOAD BALANCING =============== 6482.48 LDB: =============== DONE WITH MIGRATION ================ 6482.48 LDB: ============= START OF LOAD BALANCING ============== 6482.88 LDB: ============== END OF LOAD BALANCING =============== 6482.88 LDB: =============== DONE WITH MIGRATION ================ 6482.88 PRESSURE: 1620400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1620400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1620400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1620400 0 0 0 0 0 0 0 0 0 TIMING: 1620400 CPU: 6480.31, 0.00395087/step Wall: 6480.31, 0.00395087/step, 0.965329 hours remaining, 114.367188 MB of memory in use. ENERGY: 1620400 686.2636 1878.9945 1956.0521 116.6280 -0.6389 -1044.6810 0.0000 0.0000 2731.5918 6324.2101 301.7119 3592.6183 6358.1555 303.9348 PRESSURE: 1620600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1620600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1620600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1620600 0 0 0 0 0 0 0 0 0 TIMING: 1620600 CPU: 6481.1, 0.00395203/step Wall: 6481.1, 0.00395203/step, 0.965392 hours remaining, 114.367188 MB of memory in use. ENERGY: 1620600 649.1576 1873.9160 1956.0081 109.4046 0.0742 -1058.3059 0.0000 0.0000 2741.7647 6272.0192 302.8355 3530.2546 6304.3942 304.2077 PRESSURE: 1620800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1620800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1620800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1620800 0 0 0 0 0 0 0 0 0 TIMING: 1620800 CPU: 6481.89, 0.00395159/step Wall: 6481.89, 0.00395159/step, 0.965067 hours remaining, 114.367188 MB of memory in use. ENERGY: 1620800 655.4509 1873.8853 1929.9123 112.3215 1.6414 -1104.4260 0.0000 0.0000 2751.6580 6220.4434 303.9283 3468.7854 6259.0400 302.3905 PRESSURE: 1621000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1621000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1621000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1621000 0 0 0 0 0 0 0 0 0 TIMING: 1621000 CPU: 6482.68, 0.00395185/step Wall: 6482.68, 0.00395185/step, 0.964911 hours remaining, 114.367188 MB of memory in use. ENERGY: 1621000 660.4139 1847.5943 1991.9572 96.4810 1.5209 -1099.9535 0.0000 0.0000 2727.7410 6225.7547 301.2866 3498.0136 6260.4989 299.6243 PRESSURE: 1621200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1621200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1621200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1621200 0 0 0 0 0 0 0 0 0 TIMING: 1621200 CPU: 6483.47, 0.00394745/step Wall: 6483.47, 0.00394745/step, 0.963615 hours remaining, 114.367188 MB of memory in use. ENERGY: 1621200 675.3616 1864.4501 1948.3374 115.0143 2.2020 -1083.5655 0.0000 0.0000 2709.1365 6230.9365 299.2317 3521.7999 6265.3681 301.7209 PRESSURE: 1621400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1621400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1621400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1621400 0 0 0 0 0 0 0 0 0 TIMING: 1621400 CPU: 6484.26, 0.00395213/step Wall: 6484.26, 0.00395213/step, 0.96454 hours remaining, 114.367188 MB of memory in use. ENERGY: 1621400 648.4984 1888.0694 1967.4850 107.2976 3.6424 -1096.6391 0.0000 0.0000 2775.4859 6293.8396 306.5602 3518.3537 6325.8648 302.6679 PRESSURE: 1621600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1621600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1621600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1621600 0 0 0 0 0 0 0 0 0 TIMING: 1621600 CPU: 6485.05, 0.00395069/step Wall: 6485.05, 0.00395069/step, 0.963967 hours remaining, 114.367188 MB of memory in use. ENERGY: 1621600 661.7093 1827.8093 2006.3721 112.5676 4.2519 -1091.0082 0.0000 0.0000 2724.0948 6245.7967 300.8839 3521.7019 6279.9706 302.6194 PRESSURE: 1621800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1621800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1621800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1621800 0 0 0 0 0 0 0 0 0 TIMING: 1621800 CPU: 6485.84, 0.00394806/step Wall: 6485.84, 0.00394806/step, 0.963106 hours remaining, 114.367188 MB of memory in use. ENERGY: 1621800 685.4380 1876.2236 1995.7399 124.0104 2.8501 -1113.8870 0.0000 0.0000 2740.9573 6311.3324 302.7464 3570.3751 6347.1867 303.4244 PRESSURE: 1622000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1622000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1622000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1622000 0 0 0 0 0 0 0 0 0 TIMING: 1622000 CPU: 6486.63, 0.00395075/step Wall: 6486.63, 0.00395075/step, 0.963545 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1622000 676.7400 1863.4079 2007.4840 114.0251 1.6331 -1132.9847 0.0000 0.0000 2755.5518 6285.8572 304.3584 3530.3054 6320.3143 303.1118 PRESSURE: 1622200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1622200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1622200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1622200 0 0 0 0 0 0 0 0 0 TIMING: 1622200 CPU: 6487.42, 0.00394619/step Wall: 6487.42, 0.00394619/step, 0.962211 hours remaining, 114.367188 MB of memory in use. ENERGY: 1622200 628.9130 1857.0877 1946.2647 112.0201 2.8561 -1087.2534 0.0000 0.0000 2800.1290 6260.0172 309.2821 3459.8882 6296.2260 303.8737 PRESSURE: 1622400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1622400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1622400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1622400 0 0 0 0 0 0 0 0 0 TIMING: 1622400 CPU: 6488.21, 0.00395074/step Wall: 6488.21, 0.00395074/step, 0.963101 hours remaining, 114.367188 MB of memory in use. ENERGY: 1622400 646.5185 1855.2723 1987.4586 102.4292 2.9392 -1112.4950 0.0000 0.0000 2750.9292 6233.0518 303.8478 3482.1226 6269.5128 301.5707 PRESSURE: 1622600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1622600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1622600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1622600 0 0 0 0 0 0 0 0 0 TIMING: 1622600 CPU: 6489, 0.00394974/step Wall: 6489, 0.00394974/step, 0.962641 hours remaining, 114.367188 MB of memory in use. ENERGY: 1622600 646.7269 1848.7409 1989.4124 115.5602 2.0574 -1081.2398 0.0000 0.0000 2716.8284 6238.0863 300.0813 3521.2580 6273.7366 301.1558 PRESSURE: 1622800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1622800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1622800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1622800 0 0 0 0 0 0 0 0 0 TIMING: 1622800 CPU: 6489.79, 0.00395087/step Wall: 6489.79, 0.00395087/step, 0.962696 hours remaining, 114.367188 MB of memory in use. ENERGY: 1622800 690.3192 1849.6836 1987.3005 107.9494 2.5295 -1089.1530 0.0000 0.0000 2675.6631 6224.2924 295.5344 3548.6292 6257.5456 301.2958 PRESSURE: 1623000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1623000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1623000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1623000 0 0 0 0 0 0 0 0 0 TIMING: 1623000 CPU: 6490.58, 0.0039494/step Wall: 6490.58, 0.0039494/step, 0.962118 hours remaining, 114.367188 MB of memory in use. ENERGY: 1623000 671.7444 1864.0387 1926.2610 97.3500 2.6120 -1111.7573 0.0000 0.0000 2703.4771 6153.7258 298.6066 3450.2487 6187.3221 298.6538 PRESSURE: 1623200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1623200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1623200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1623200 0 0 0 0 0 0 0 0 0 TIMING: 1623200 CPU: 6491.37, 0.00394582/step Wall: 6491.37, 0.00394582/step, 0.961026 hours remaining, 114.367188 MB of memory in use. ENERGY: 1623200 619.9830 1821.0012 1954.9064 104.8123 1.9711 -1106.1358 0.0000 0.0000 2742.5624 6139.1006 302.9237 3396.5381 6173.2206 295.7116 PRESSURE: 1623400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1623400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1623400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1623400 0 0 0 0 0 0 0 0 0 TIMING: 1623400 CPU: 6492.16, 0.00395085/step Wall: 6492.16, 0.00395085/step, 0.962033 hours remaining, 114.367188 MB of memory in use. ENERGY: 1623400 642.3006 1869.6124 1933.6009 118.3474 1.0384 -1109.5029 0.0000 0.0000 2688.7777 6144.1745 296.9830 3455.3968 6177.1407 298.1064 PRESSURE: 1623600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1623600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1623600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1623600 0 0 0 0 0 0 0 0 0 TIMING: 1623600 CPU: 6492.95, 0.00394925/step Wall: 6492.95, 0.00394925/step, 0.961423 hours remaining, 114.367188 MB of memory in use. ENERGY: 1623600 674.9815 1873.3216 1960.6792 94.6858 1.2070 -1121.9220 0.0000 0.0000 2664.6668 6147.6199 294.3199 3482.9532 6180.7455 296.2207 PRESSURE: 1623800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1623800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1623800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1623800 0 0 0 0 0 0 0 0 0 TIMING: 1623800 CPU: 6493.74, 0.00395145/step Wall: 6493.74, 0.00395145/step, 0.961739 hours remaining, 114.367188 MB of memory in use. ENERGY: 1623800 643.4339 1834.2345 1949.0547 108.8291 1.6262 -1115.9288 0.0000 0.0000 2672.3032 6093.5528 295.1633 3421.2496 6126.9482 295.7726 PRESSURE: 1624000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1624000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1624000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1624000 0 0 0 0 0 0 0 0 0 TIMING: 1624000 CPU: 6494.53, 0.00395016/step Wall: 6494.53, 0.00395016/step, 0.961207 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1624000 672.3355 1811.3055 1949.8321 101.1108 0.9352 -1099.0112 0.0000 0.0000 2669.7503 6106.2583 294.8814 3436.5079 6139.7062 293.6524 PRESSURE: 1624200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1624200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1624200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1624200 0 0 0 0 0 0 0 0 0 TIMING: 1624200 CPU: 6495.32, 0.00394489/step Wall: 6495.32, 0.00394489/step, 0.959703 hours remaining, 114.367188 MB of memory in use. ENERGY: 1624200 648.1399 1849.4881 1946.6899 98.4939 1.6876 -1083.3177 0.0000 0.0000 2643.2009 6104.3825 291.9489 3461.1816 6136.7512 295.3964 LDB: ============= START OF LOAD BALANCING ============== 6498.28 LDB: ============== END OF LOAD BALANCING =============== 6498.28 LDB: =============== DONE WITH MIGRATION ================ 6498.28 LDB: ============= START OF LOAD BALANCING ============== 6498.68 LDB: ============== END OF LOAD BALANCING =============== 6498.68 LDB: =============== DONE WITH MIGRATION ================ 6498.68 PRESSURE: 1624400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1624400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1624400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1624400 0 0 0 0 0 0 0 0 0 TIMING: 1624400 CPU: 6496.11, 0.00395405/step Wall: 6496.11, 0.00395405/step, 0.961713 hours remaining, 114.367188 MB of memory in use. ENERGY: 1624400 621.9739 1788.0503 1959.8772 111.4374 1.3295 -1066.9813 0.0000 0.0000 2736.4664 6152.1533 302.2503 3415.6869 6185.7206 294.6066 PRESSURE: 1624600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1624600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1624600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1624600 0 0 0 0 0 0 0 0 0 TIMING: 1624600 CPU: 6496.9, 0.00395087/step Wall: 6496.9, 0.00395087/step, 0.96072 hours remaining, 114.367188 MB of memory in use. ENERGY: 1624600 638.1932 1831.6286 1973.6691 107.3689 1.5713 -1060.3611 0.0000 0.0000 2658.2229 6150.2929 293.6081 3492.0700 6180.6040 296.9179 PRESSURE: 1624800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1624800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1624800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1624800 0 0 0 0 0 0 0 0 0 TIMING: 1624800 CPU: 6497.69, 0.00395293/step Wall: 6497.69, 0.00395293/step, 0.961001 hours remaining, 114.367188 MB of memory in use. ENERGY: 1624800 669.3268 1850.5129 1945.2166 113.9636 1.0887 -1095.8907 0.0000 0.0000 2698.2557 6182.4735 298.0299 3484.2178 6218.7565 297.2942 PRESSURE: 1625000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1625000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1625000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1625000 0 0 0 0 0 0 0 0 0 TIMING: 1625000 CPU: 6498.48, 0.00394575/step Wall: 6498.48, 0.00394575/step, 0.959038 hours remaining, 114.367188 MB of memory in use. ENERGY: 1625000 643.8134 1844.6413 1958.9667 106.0280 0.2093 -1084.3937 0.0000 0.0000 2657.8062 6127.0712 293.5621 3469.2650 6158.4776 296.2588 PRESSURE: 1625200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1625200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1625200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1625200 0 0 0 0 0 0 0 0 0 TIMING: 1625200 CPU: 6499.27, 0.00395757/step Wall: 6499.27, 0.00395757/step, 0.961689 hours remaining, 114.367188 MB of memory in use. ENERGY: 1625200 632.2566 1903.6167 1972.1940 114.8058 0.6318 -1121.3007 0.0000 0.0000 2603.2644 6105.4686 287.5378 3502.2042 6136.2988 295.4801 PRESSURE: 1625400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1625400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1625400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1625400 0 0 0 0 0 0 0 0 0 TIMING: 1625400 CPU: 6500.06, 0.00395187/step Wall: 6500.06, 0.00395187/step, 0.960085 hours remaining, 114.367188 MB of memory in use. ENERGY: 1625400 636.3069 1879.5963 1963.8825 115.9628 -0.3667 -1122.1196 0.0000 0.0000 2680.5563 6153.8185 296.0749 3473.2622 6185.6515 295.9468 PRESSURE: 1625600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1625600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1625600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1625600 0 0 0 0 0 0 0 0 0 TIMING: 1625600 CPU: 6500.85, 0.00395262/step Wall: 6500.85, 0.00395262/step, 0.960046 hours remaining, 114.367188 MB of memory in use. ENERGY: 1625600 664.9511 1861.5070 1961.9466 111.8085 0.7057 -1108.9102 0.0000 0.0000 2687.7267 6179.7354 296.8669 3492.0087 6210.5849 296.3728 PRESSURE: 1625800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1625800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1625800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1625800 0 0 0 0 0 0 0 0 0 TIMING: 1625800 CPU: 6501.64, 0.00395532/step Wall: 6501.64, 0.00395532/step, 0.960485 hours remaining, 114.367188 MB of memory in use. ENERGY: 1625800 655.6268 1910.3335 1960.0179 114.0030 1.3489 -1110.4717 0.0000 0.0000 2696.9807 6227.8391 297.8890 3530.8584 6260.7300 297.2351 PRESSURE: 1626000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1626000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1626000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1626000 0 0 0 0 0 0 0 0 0 TIMING: 1626000 CPU: 6502.43, 0.00394654/step Wall: 6502.43, 0.00394654/step, 0.958132 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1626000 672.4308 1849.8374 1950.9641 113.9236 -0.3153 -1097.8062 0.0000 0.0000 2717.6160 6206.6505 300.1683 3489.0345 6239.2477 300.0774 PRESSURE: 1626200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1626200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1626200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1626200 0 0 0 0 0 0 0 0 0 TIMING: 1626200 CPU: 6503.22, 0.00395359/step Wall: 6503.22, 0.00395359/step, 0.959624 hours remaining, 114.367188 MB of memory in use. ENERGY: 1626200 635.2613 1873.2652 1966.8603 100.4943 1.5844 -1086.4664 0.0000 0.0000 2685.7423 6176.7412 296.6477 3490.9990 6207.0310 300.4881 PRESSURE: 1626400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1626400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1626400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1626400 0 0 0 0 0 0 0 0 0 TIMING: 1626400 CPU: 6504.02, 0.00395329/step Wall: 6504.02, 0.00395329/step, 0.959331 hours remaining, 114.367188 MB of memory in use. ENERGY: 1626400 668.8856 1854.9163 1958.2818 109.4376 1.4914 -1092.4039 0.0000 0.0000 2678.1321 6178.7410 295.8072 3500.6088 6211.3495 297.8163 PRESSURE: 1626600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1626600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1626600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1626600 0 0 0 0 0 0 0 0 0 TIMING: 1626600 CPU: 6504.81, 0.00395394/step Wall: 6504.81, 0.00395394/step, 0.959271 hours remaining, 114.367188 MB of memory in use. ENERGY: 1626600 659.0370 1859.7655 1990.5133 113.3093 1.5919 -1116.9191 0.0000 0.0000 2713.7965 6221.0945 299.7464 3507.2980 6256.1336 300.8978 PRESSURE: 1626800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1626800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1626800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1626800 0 0 0 0 0 0 0 0 0 TIMING: 1626800 CPU: 6505.6, 0.0039542/step Wall: 6505.6, 0.0039542/step, 0.959113 hours remaining, 114.367188 MB of memory in use. ENERGY: 1626800 641.4972 1858.7524 1968.9518 112.5955 1.7608 -1099.0515 0.0000 0.0000 2718.0967 6202.6030 300.2214 3484.5062 6235.5425 299.3692 PRESSURE: 1627000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1627000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1627000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1627000 0 0 0 0 0 0 0 0 0 TIMING: 1627000 CPU: 6506.39, 0.00394781/step Wall: 6506.39, 0.00394781/step, 0.957344 hours remaining, 114.367188 MB of memory in use. ENERGY: 1627000 644.9351 1865.5479 1932.5247 107.8208 2.0803 -1092.8382 0.0000 0.0000 2739.6159 6199.6866 302.5982 3460.0706 6235.4058 299.0023 PRESSURE: 1627200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1627200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1627200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1627200 0 0 0 0 0 0 0 0 0 TIMING: 1627200 CPU: 6507.18, 0.00395536/step Wall: 6507.18, 0.00395536/step, 0.958955 hours remaining, 114.367188 MB of memory in use. ENERGY: 1627200 656.6356 1885.7016 1972.0514 113.8242 1.5147 -1091.4190 0.0000 0.0000 2681.0006 6219.3090 296.1240 3538.3084 6250.9099 299.9499 PRESSURE: 1627400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1627400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1627400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1627400 0 0 0 0 0 0 0 0 0 TIMING: 1627400 CPU: 6507.97, 0.00395212/step Wall: 6507.97, 0.00395212/step, 0.95795 hours remaining, 114.367188 MB of memory in use. ENERGY: 1627400 688.9719 1837.1103 1973.1942 97.1309 2.2504 -1105.7882 0.0000 0.0000 2698.1901 6191.0595 298.0226 3492.8694 6225.2326 299.6169 PRESSURE: 1627600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1627600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1627600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1627600 0 0 0 0 0 0 0 0 0 TIMING: 1627600 CPU: 6508.76, 0.00395353/step Wall: 6508.76, 0.00395353/step, 0.958071 hours remaining, 114.367188 MB of memory in use. ENERGY: 1627600 649.8614 1855.2545 1956.6557 104.1355 1.6852 -1093.6298 0.0000 0.0000 2757.5490 6231.5116 304.5790 3473.9626 6265.0016 301.8356 PRESSURE: 1627800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1627800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1627800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1627800 0 0 0 0 0 0 0 0 0 TIMING: 1627800 CPU: 6509.55, 0.00395393/step Wall: 6509.55, 0.00395393/step, 0.957949 hours remaining, 114.367188 MB of memory in use. ENERGY: 1627800 664.3517 1867.3956 1960.9684 99.6186 2.5909 -1072.4089 0.0000 0.0000 2663.8444 6186.3607 294.2290 3522.5164 6218.6456 301.2723 PRESSURE: 1628000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1628000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1628000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1628000 0 0 0 0 0 0 0 0 0 TIMING: 1628000 CPU: 6510.34, 0.00394655/step Wall: 6510.34, 0.00394655/step, 0.955941 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1628000 633.8004 1829.6378 1976.5048 111.6020 1.6635 -1070.9828 0.0000 0.0000 2751.5529 6233.7787 303.9167 3482.2258 6266.2297 298.5816 PRESSURE: 1628200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1628200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1628200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1628200 0 0 0 0 0 0 0 0 0 TIMING: 1628200 CPU: 6511.13, 0.0039566/step Wall: 6511.13, 0.0039566/step, 0.958157 hours remaining, 114.367188 MB of memory in use. ENERGY: 1628200 670.0822 1867.8938 1979.2754 103.7493 0.0628 -1101.3772 0.0000 0.0000 2728.7308 6248.4171 301.3959 3519.6862 6281.6207 301.4969 LDB: ============= START OF LOAD BALANCING ============== 6514.09 LDB: ============== END OF LOAD BALANCING =============== 6514.09 LDB: =============== DONE WITH MIGRATION ================ 6514.09 LDB: ============= START OF LOAD BALANCING ============== 6514.49 LDB: ============== END OF LOAD BALANCING =============== 6514.49 LDB: =============== DONE WITH MIGRATION ================ 6514.49 PRESSURE: 1628400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1628400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1628400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1628400 0 0 0 0 0 0 0 0 0 TIMING: 1628400 CPU: 6511.92, 0.00395635/step Wall: 6511.92, 0.00395635/step, 0.957877 hours remaining, 114.367188 MB of memory in use. ENERGY: 1628400 671.4247 1798.5462 1976.8117 100.0641 1.2013 -1055.0664 0.0000 0.0000 2721.3887 6214.3703 300.5850 3492.9816 6248.0378 301.0329 PRESSURE: 1628600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1628600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1628600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1628600 0 0 0 0 0 0 0 0 0 TIMING: 1628600 CPU: 6512.71, 0.00395363/step Wall: 6512.71, 0.00395363/step, 0.956998 hours remaining, 114.367188 MB of memory in use. ENERGY: 1628600 675.0943 1826.8224 1963.7840 112.8379 2.2052 -1053.4458 0.0000 0.0000 2646.1618 6173.4599 292.2759 3527.2981 6203.2101 297.8760 PRESSURE: 1628800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1628800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1628800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1628800 0 0 0 0 0 0 0 0 0 TIMING: 1628800 CPU: 6513.5, 0.00394752/step Wall: 6513.5, 0.00394752/step, 0.9553 hours remaining, 114.367188 MB of memory in use. ENERGY: 1628800 650.3586 1875.2741 1977.8618 96.4709 3.1080 -1104.4895 0.0000 0.0000 2649.2067 6147.7906 292.6123 3498.5839 6181.2950 296.0368 PRESSURE: 1629000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1629000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1629000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1629000 0 0 0 0 0 0 0 0 0 TIMING: 1629000 CPU: 6514.29, 0.00395347/step Wall: 6514.29, 0.00395347/step, 0.956521 hours remaining, 114.367188 MB of memory in use. ENERGY: 1629000 649.0109 1824.6479 1969.9899 108.4362 2.4155 -1081.1608 0.0000 0.0000 2629.0176 6102.3572 290.3823 3473.3396 6132.7826 294.6033 PRESSURE: 1629200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1629200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1629200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1629200 0 0 0 0 0 0 0 0 0 TIMING: 1629200 CPU: 6515.08, 0.00395236/step Wall: 6515.08, 0.00395236/step, 0.956033 hours remaining, 114.367188 MB of memory in use. ENERGY: 1629200 635.3971 1852.2898 1978.8060 104.0454 0.7967 -1095.6617 0.0000 0.0000 2621.3284 6097.0017 289.5330 3475.6733 6127.4842 292.5061 PRESSURE: 1629400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1629400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1629400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1629400 0 0 0 0 0 0 0 0 0 TIMING: 1629400 CPU: 6515.87, 0.00395236/step Wall: 6515.87, 0.00395236/step, 0.955812 hours remaining, 114.367188 MB of memory in use. ENERGY: 1629400 643.8013 1855.9828 1966.6202 101.4464 1.5567 -1083.0502 0.0000 0.0000 2645.2427 6131.5999 292.1744 3486.3572 6163.4140 294.3512 PRESSURE: 1629600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1629600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1629600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1629600 0 0 0 0 0 0 0 0 0 TIMING: 1629600 CPU: 6516.66, 0.00395298/step Wall: 6516.66, 0.00395298/step, 0.955744 hours remaining, 114.367188 MB of memory in use. ENERGY: 1629600 653.4096 1873.3194 1999.3198 119.4782 3.3353 -1115.0652 0.0000 0.0000 2618.9336 6152.7308 289.2685 3533.7972 6184.2872 294.5339 PRESSURE: 1629800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1629800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1629800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1629800 0 0 0 0 0 0 0 0 0 TIMING: 1629800 CPU: 6517.45, 0.00394832/step Wall: 6517.45, 0.00394832/step, 0.954397 hours remaining, 114.367188 MB of memory in use. ENERGY: 1629800 609.0455 1871.2882 1988.2727 113.9643 3.2515 -1104.8458 0.0000 0.0000 2692.8844 6173.8609 297.4366 3480.9764 6206.5851 295.6924 PRESSURE: 1630000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1630000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1630000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1630000 0 0 0 0 0 0 0 0 0 TIMING: 1630000 CPU: 6518.24, 0.0039552/step Wall: 6518.24, 0.0039552/step, 0.95584 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1630000 663.6249 1869.8855 2006.1384 103.1197 0.5573 -1114.8639 0.0000 0.0000 2749.6660 6278.1280 303.7083 3528.4620 6309.4519 300.9481 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1630000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1630000 WRITING COORDINATES TO RESTART FILE AT STEP 1630000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1630000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1630200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1630200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1630200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1630200 0 0 0 0 0 0 0 0 0 TIMING: 1630200 CPU: 6519.07, 0.00412769/step Wall: 6519.07, 0.00412769/step, 0.997297 hours remaining, 114.367188 MB of memory in use. ENERGY: 1630200 667.0401 1840.1292 1974.3955 107.8778 2.5440 -1100.7792 0.0000 0.0000 2786.3064 6277.5137 307.7553 3491.2073 6313.1965 303.6824 PRESSURE: 1630400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1630400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1630400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1630400 0 0 0 0 0 0 0 0 0 TIMING: 1630400 CPU: 6519.86, 0.0039535/step Wall: 6519.86, 0.0039535/step, 0.954989 hours remaining, 114.367188 MB of memory in use. ENERGY: 1630400 620.4311 1834.2038 1962.5405 115.3307 2.0105 -1080.4708 0.0000 0.0000 2790.4964 6244.5422 308.2181 3454.0458 6280.1757 302.1542 PRESSURE: 1630600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1630600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1630600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1630600 0 0 0 0 0 0 0 0 0 TIMING: 1630600 CPU: 6520.65, 0.00395363/step Wall: 6520.65, 0.00395363/step, 0.954803 hours remaining, 114.367188 MB of memory in use. ENERGY: 1630600 630.9322 1853.4367 1971.5516 101.1721 2.6321 -1059.5347 0.0000 0.0000 2649.9230 6150.1129 292.6914 3500.1900 6181.6614 299.7346 PRESSURE: 1630800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1630800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1630800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1630800 0 0 0 0 0 0 0 0 0 TIMING: 1630800 CPU: 6521.44, 0.00394805/step Wall: 6521.44, 0.00394805/step, 0.953235 hours remaining, 114.367188 MB of memory in use. ENERGY: 1630800 712.6429 1858.5064 1990.6332 113.6181 1.8343 -1127.1337 0.0000 0.0000 2613.6482 6163.7495 288.6847 3550.1013 6195.2042 296.7668 PRESSURE: 1631000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1631000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1631000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1631000 0 0 0 0 0 0 0 0 0 TIMING: 1631000 CPU: 6522.23, 0.00395262/step Wall: 6522.23, 0.00395262/step, 0.954119 hours remaining, 114.367188 MB of memory in use. ENERGY: 1631000 652.2276 1854.0182 1987.5796 111.5662 3.1657 -1063.2088 0.0000 0.0000 2641.5685 6186.9168 291.7686 3545.3483 6217.1784 298.3758 PRESSURE: 1631200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1631200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1631200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1631200 0 0 0 0 0 0 0 0 0 TIMING: 1631200 CPU: 6523.02, 0.0039528/step Wall: 6523.02, 0.0039528/step, 0.953942 hours remaining, 114.367188 MB of memory in use. ENERGY: 1631200 642.3214 1829.1464 1965.4895 112.6319 2.9378 -1061.5385 0.0000 0.0000 2673.4743 6164.4627 295.2927 3490.9885 6195.5999 296.4142 PRESSURE: 1631400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1631400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1631400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1631400 0 0 0 0 0 0 0 0 0 TIMING: 1631400 CPU: 6523.81, 0.00395366/step Wall: 6523.81, 0.00395366/step, 0.95393 hours remaining, 114.367188 MB of memory in use. ENERGY: 1631400 647.0448 1815.0561 1985.4956 100.7829 3.0984 -1101.5473 0.0000 0.0000 2683.7373 6133.6676 296.4263 3449.9303 6165.2179 296.6511 PRESSURE: 1631600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1631600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1631600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1631600 0 0 0 0 0 0 0 0 0 TIMING: 1631600 CPU: 6524.61, 0.003963/step Wall: 6524.61, 0.003963/step, 0.955964 hours remaining, 114.367188 MB of memory in use. ENERGY: 1631600 653.9914 1814.9049 1999.1783 98.8862 2.0686 -1112.2632 0.0000 0.0000 2677.8375 6134.6037 295.7746 3456.7661 6167.1369 295.3908 PRESSURE: 1631800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1631800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1631800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1631800 0 0 0 0 0 0 0 0 0 TIMING: 1631800 CPU: 6525.4, 0.00395185/step Wall: 6525.4, 0.00395185/step, 0.953054 hours remaining, 114.367188 MB of memory in use. ENERGY: 1631800 631.9006 1868.6089 1986.0402 105.8511 2.2506 -1092.2829 0.0000 0.0000 2686.1186 6188.4870 296.6893 3502.3684 6222.8842 296.5657 PRESSURE: 1632000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1632000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1632000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1632000 0 0 0 0 0 0 0 0 0 TIMING: 1632000 CPU: 6526.19, 0.00395523/step Wall: 6526.19, 0.00395523/step, 0.95365 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1632000 656.6208 1840.1996 1980.0572 102.5708 2.2590 -1086.3754 0.0000 0.0000 2723.3915 6218.7234 300.8062 3495.3319 6251.4797 297.2358 PRESSURE: 1632200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1632200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1632200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1632200 0 0 0 0 0 0 0 0 0 TIMING: 1632200 CPU: 6526.98, 0.00395219/step Wall: 6526.98, 0.00395219/step, 0.952698 hours remaining, 114.367188 MB of memory in use. ENERGY: 1632200 648.6291 1880.9953 1992.6059 103.0666 3.6082 -1073.9119 0.0000 0.0000 2743.4369 6298.4301 303.0202 3554.9932 6330.4406 300.7019 LDB: ============= START OF LOAD BALANCING ============== 6529.94 LDB: ============== END OF LOAD BALANCING =============== 6529.94 LDB: =============== DONE WITH MIGRATION ================ 6529.94 LDB: ============= START OF LOAD BALANCING ============== 6530.33 LDB: ============== END OF LOAD BALANCING =============== 6530.33 LDB: =============== DONE WITH MIGRATION ================ 6530.33 PRESSURE: 1632400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1632400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1632400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1632400 0 0 0 0 0 0 0 0 0 TIMING: 1632400 CPU: 6527.77, 0.00395823/step Wall: 6527.77, 0.00395823/step, 0.953932 hours remaining, 114.367188 MB of memory in use. ENERGY: 1632400 692.0181 1843.4596 1963.8812 107.3394 3.2114 -1071.6975 0.0000 0.0000 2690.1064 6228.3186 297.1297 3538.2122 6261.2428 302.5039 PRESSURE: 1632600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1632600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1632600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1632600 0 0 0 0 0 0 0 0 0 TIMING: 1632600 CPU: 6528.56, 0.00394796/step Wall: 6528.56, 0.00394796/step, 0.95124 hours remaining, 114.367188 MB of memory in use. ENERGY: 1632600 634.4684 1830.4829 2020.8731 113.0206 2.7798 -1075.5793 0.0000 0.0000 2728.6530 6254.6985 301.3873 3526.0455 6287.6327 298.6929 PRESSURE: 1632800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1632800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1632800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1632800 0 0 0 0 0 0 0 0 0 TIMING: 1632800 CPU: 6529.35, 0.00395241/step Wall: 6529.35, 0.00395241/step, 0.952091 hours remaining, 114.367188 MB of memory in use. ENERGY: 1632800 645.4761 1900.3714 1977.6662 117.9553 1.6900 -1071.7724 0.0000 0.0000 2673.6378 6245.0244 295.3107 3571.3866 6273.0391 300.1495 PRESSURE: 1633000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1633000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1633000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1633000 0 0 0 0 0 0 0 0 0 TIMING: 1633000 CPU: 6530.14, 0.00395332/step Wall: 6530.14, 0.00395332/step, 0.952092 hours remaining, 114.367188 MB of memory in use. ENERGY: 1633000 683.8953 1851.5246 1986.5108 106.8576 0.1028 -1083.6111 0.0000 0.0000 2709.7929 6255.0730 299.3042 3545.2800 6288.3396 301.1560 PRESSURE: 1633200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1633200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1633200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1633200 0 0 0 0 0 0 0 0 0 TIMING: 1633200 CPU: 6530.93, 0.00395018/step Wall: 6530.93, 0.00395018/step, 0.951116 hours remaining, 114.367188 MB of memory in use. ENERGY: 1633200 636.6544 1809.5170 1967.9155 99.8639 1.1965 -1085.9303 0.0000 0.0000 2795.2398 6224.4567 308.7420 3429.2169 6261.1424 302.1381 PRESSURE: 1633400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1633400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1633400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1633400 0 0 0 0 0 0 0 0 0 TIMING: 1633400 CPU: 6531.72, 0.00395149/step Wall: 6531.72, 0.00395149/step, 0.95121 hours remaining, 114.367188 MB of memory in use. ENERGY: 1633400 654.2562 1831.8407 1972.7830 100.9460 1.7231 -1085.4281 0.0000 0.0000 2719.9729 6196.0938 300.4286 3476.1210 6229.6765 300.4650 PRESSURE: 1633600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1633600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1633600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1633600 0 0 0 0 0 0 0 0 0 TIMING: 1633600 CPU: 6532.51, 0.00394636/step Wall: 6532.51, 0.00394636/step, 0.949757 hours remaining, 114.367188 MB of memory in use. ENERGY: 1633600 662.2849 1844.8609 1964.8930 117.3787 0.6252 -1068.9684 0.0000 0.0000 2728.1244 6249.1986 301.3289 3521.0743 6285.3912 299.1494 PRESSURE: 1633800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1633800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1633800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1633800 0 0 0 0 0 0 0 0 0 TIMING: 1633800 CPU: 6533.3, 0.00395102/step Wall: 6533.3, 0.00395102/step, 0.950658 hours remaining, 114.367188 MB of memory in use. ENERGY: 1633800 675.6757 1848.4941 1971.8705 96.8497 0.4465 -1087.6652 0.0000 0.0000 2770.2340 6275.9052 305.9801 3505.6712 6312.4755 301.4520 PRESSURE: 1634000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1634000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1634000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1634000 0 0 0 0 0 0 0 0 0 TIMING: 1634000 CPU: 6534.09, 0.00395237/step Wall: 6534.09, 0.00395237/step, 0.950766 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1634000 646.4466 1888.2273 1981.2915 114.1428 1.1139 -1064.6797 0.0000 0.0000 2708.7430 6275.2854 299.1882 3566.5424 6308.5956 302.6045 PRESSURE: 1634200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1634200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1634200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1634200 0 0 0 0 0 0 0 0 0 TIMING: 1634200 CPU: 6534.88, 0.00395247/step Wall: 6534.88, 0.00395247/step, 0.95057 hours remaining, 114.367188 MB of memory in use. ENERGY: 1634200 663.9611 1857.3384 1983.3212 118.9277 1.1902 -1082.3050 0.0000 0.0000 2757.4091 6299.8427 304.5635 3542.4336 6331.6219 303.3085 PRESSURE: 1634400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1634400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1634400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1634400 0 0 0 0 0 0 0 0 0 TIMING: 1634400 CPU: 6535.67, 0.00395321/step Wall: 6535.67, 0.00395321/step, 0.950526 hours remaining, 114.367188 MB of memory in use. ENERGY: 1634400 667.1085 1866.8340 2013.4591 110.4800 -1.1901 -1116.4268 0.0000 0.0000 2745.6302 6285.8949 303.2625 3540.2647 6323.4007 303.2090 PRESSURE: 1634600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1634600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1634600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1634600 0 0 0 0 0 0 0 0 0 TIMING: 1634600 CPU: 6536.46, 0.00394752/step Wall: 6536.46, 0.00394752/step, 0.948939 hours remaining, 114.367188 MB of memory in use. ENERGY: 1634600 668.7027 1855.7200 1956.5882 110.6074 -0.2499 -1081.6908 0.0000 0.0000 2797.1661 6306.8437 308.9548 3509.6776 6340.1334 303.8522 PRESSURE: 1634800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1634800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1634800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1634800 0 0 0 0 0 0 0 0 0 TIMING: 1634800 CPU: 6537.25, 0.00395337/step Wall: 6537.25, 0.00395337/step, 0.950125 hours remaining, 114.367188 MB of memory in use. ENERGY: 1634800 622.7569 1875.7737 2006.4932 115.5467 -0.7652 -1114.2805 0.0000 0.0000 2726.2076 6231.7324 301.1172 3505.5248 6266.6163 304.0120 PRESSURE: 1635000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1635000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1635000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1635000 0 0 0 0 0 0 0 0 0 TIMING: 1635000 CPU: 6538.04, 0.00395334/step Wall: 6538.04, 0.00395334/step, 0.949901 hours remaining, 114.367188 MB of memory in use. ENERGY: 1635000 654.0380 1881.7197 1973.2217 108.0325 0.2759 -1077.6820 0.0000 0.0000 2669.7129 6209.3187 294.8772 3539.6058 6240.8251 299.3110 PRESSURE: 1635200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1635200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1635200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1635200 0 0 0 0 0 0 0 0 0 TIMING: 1635200 CPU: 6538.83, 0.00396438/step Wall: 6538.83, 0.00396438/step, 0.952333 hours remaining, 114.367188 MB of memory in use. ENERGY: 1635200 659.7455 1836.9311 1967.2103 102.7229 2.0608 -1047.1584 0.0000 0.0000 2657.8712 6179.3834 293.5693 3521.5122 6212.6952 298.3195 PRESSURE: 1635400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1635400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1635400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1635400 0 0 0 0 0 0 0 0 0 TIMING: 1635400 CPU: 6539.63, 0.00395329/step Wall: 6539.63, 0.00395329/step, 0.949447 hours remaining, 114.367188 MB of memory in use. ENERGY: 1635400 626.8903 1843.0784 1994.9376 109.8592 0.1304 -1044.6818 0.0000 0.0000 2664.6568 6194.8709 294.3188 3530.2141 6227.3464 296.2065 PRESSURE: 1635600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1635600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1635600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1635600 0 0 0 0 0 0 0 0 0 TIMING: 1635600 CPU: 6540.42, 0.00394758/step Wall: 6540.42, 0.00394758/step, 0.947859 hours remaining, 114.367188 MB of memory in use. ENERGY: 1635600 699.4678 1845.4319 1983.1900 117.8643 -0.0386 -1107.1122 0.0000 0.0000 2669.3573 6208.1604 294.8379 3538.8031 6238.7013 298.4769 PRESSURE: 1635800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1635800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1635800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1635800 0 0 0 0 0 0 0 0 0 TIMING: 1635800 CPU: 6541.21, 0.00395388/step Wall: 6541.21, 0.00395388/step, 0.949152 hours remaining, 114.367188 MB of memory in use. ENERGY: 1635800 658.4094 1869.2938 1971.8657 109.2902 0.2778 -1116.3831 0.0000 0.0000 2678.2909 6171.0447 295.8247 3492.7538 6203.1692 299.7582 PRESSURE: 1636000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1636000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1636000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1636000 0 0 0 0 0 0 0 0 0 TIMING: 1636000 CPU: 6542, 0.00395393/step Wall: 6542, 0.00395393/step, 0.948942 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1636000 648.4518 1842.1928 1977.3989 110.9111 1.1632 -1052.0223 0.0000 0.0000 2696.5637 6224.6592 297.8430 3528.0955 6256.4633 299.3080 PRESSURE: 1636200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1636200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1636200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1636200 0 0 0 0 0 0 0 0 0 TIMING: 1636200 CPU: 6542.79, 0.00395479/step Wall: 6542.79, 0.00395479/step, 0.948931 hours remaining, 114.367188 MB of memory in use. ENERGY: 1636200 645.6774 1907.7621 1945.2837 92.6346 0.6314 -1096.1294 0.0000 0.0000 2711.4469 6207.3067 299.4869 3495.8598 6241.3879 298.8434 LDB: ============= START OF LOAD BALANCING ============== 6545.75 LDB: ============== END OF LOAD BALANCING =============== 6545.75 LDB: =============== DONE WITH MIGRATION ================ 6545.75 LDB: ============= START OF LOAD BALANCING ============== 6546.14 LDB: ============== END OF LOAD BALANCING =============== 6546.14 LDB: =============== DONE WITH MIGRATION ================ 6546.14 PRESSURE: 1636400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1636400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1636400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1636400 0 0 0 0 0 0 0 0 0 TIMING: 1636400 CPU: 6543.58, 0.00395468/step Wall: 6543.58, 0.00395468/step, 0.948683 hours remaining, 114.367188 MB of memory in use. ENERGY: 1636400 653.4955 1831.9386 1973.5421 121.3681 2.2717 -1104.9547 0.0000 0.0000 2742.8630 6220.5243 302.9569 3477.6613 6254.7277 300.9488 PRESSURE: 1636600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1636600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1636600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1636600 0 0 0 0 0 0 0 0 0 TIMING: 1636600 CPU: 6544.37, 0.00395413/step Wall: 6544.37, 0.00395413/step, 0.948331 hours remaining, 114.367188 MB of memory in use. ENERGY: 1636600 633.9719 1889.8792 1956.5766 108.7550 0.3782 -1077.2233 0.0000 0.0000 2678.0888 6190.4265 295.8024 3512.3377 6221.6636 299.2912 PRESSURE: 1636800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1636800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1636800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1636800 0 0 0 0 0 0 0 0 0 TIMING: 1636800 CPU: 6545.16, 0.00395376/step Wall: 6545.16, 0.00395376/step, 0.948025 hours remaining, 114.367188 MB of memory in use. ENERGY: 1636800 656.7948 1803.7493 1960.7710 109.1975 -0.8159 -1060.9165 0.0000 0.0000 2733.8720 6202.6523 301.9638 3468.7802 6238.7681 298.4832 PRESSURE: 1637000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1637000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1637000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1637000 0 0 0 0 0 0 0 0 0 TIMING: 1637000 CPU: 6545.95, 0.00395362/step Wall: 6545.95, 0.00395362/step, 0.947771 hours remaining, 114.367188 MB of memory in use. ENERGY: 1637000 664.5349 1806.3892 1963.3015 116.7679 0.7903 -1070.3345 0.0000 0.0000 2754.4613 6235.9104 304.2379 3481.4492 6269.8603 299.4948 PRESSURE: 1637200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1637200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1637200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1637200 0 0 0 0 0 0 0 0 0 TIMING: 1637200 CPU: 6546.74, 0.00395384/step Wall: 6546.74, 0.00395384/step, 0.947604 hours remaining, 114.367188 MB of memory in use. ENERGY: 1637200 690.6855 1846.9298 1987.0427 119.9030 1.7169 -1106.3314 0.0000 0.0000 2738.1787 6278.1252 302.4395 3539.9465 6311.7206 302.6854 PRESSURE: 1637400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1637400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1637400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1637400 0 0 0 0 0 0 0 0 0 TIMING: 1637400 CPU: 6547.53, 0.00394883/step Wall: 6547.53, 0.00394882/step, 0.946181 hours remaining, 114.367188 MB of memory in use. ENERGY: 1637400 624.8658 1908.1000 1990.2750 109.2612 3.0870 -1059.2717 0.0000 0.0000 2735.1022 6311.4194 302.0997 3576.3172 6341.9174 304.6637 PRESSURE: 1637600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1637600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1637600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1637600 0 0 0 0 0 0 0 0 0 TIMING: 1637600 CPU: 6548.32, 0.00395404/step Wall: 6548.32, 0.00395404/step, 0.947213 hours remaining, 114.367188 MB of memory in use. ENERGY: 1637600 666.5447 1849.5616 2001.9194 101.5024 1.4965 -1082.0872 0.0000 0.0000 2724.9012 6263.8386 300.9729 3538.9375 6297.2640 303.3938 PRESSURE: 1637800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1637800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1637800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1637800 0 0 0 0 0 0 0 0 0 TIMING: 1637800 CPU: 6549.11, 0.00395414/step Wall: 6549.11, 0.00395414/step, 0.947018 hours remaining, 114.367188 MB of memory in use. ENERGY: 1637800 651.1537 1773.4396 1986.9201 99.0876 0.7237 -1059.7812 0.0000 0.0000 2796.1894 6247.7330 308.8469 3451.5436 6284.1709 301.4448 PRESSURE: 1638000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1638000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1638000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1638000 0 0 0 0 0 0 0 0 0 TIMING: 1638000 CPU: 6549.9, 0.00395286/step Wall: 6549.9, 0.00395286/step, 0.946491 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1638000 639.4591 1858.8166 1986.8623 105.8000 2.1763 -1088.9317 0.0000 0.0000 2745.5269 6249.7095 303.2511 3504.1826 6280.7611 302.4830 PRESSURE: 1638200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1638200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1638200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1638200 0 0 0 0 0 0 0 0 0 TIMING: 1638200 CPU: 6550.69, 0.00395446/step Wall: 6550.69, 0.00395446/step, 0.946655 hours remaining, 114.367188 MB of memory in use. ENERGY: 1638200 643.6685 1853.2962 1963.1373 112.0632 1.6210 -1096.0819 0.0000 0.0000 2765.3885 6243.0928 305.4449 3477.7044 6275.8817 301.9605 PRESSURE: 1638400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1638400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1638400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1638400 0 0 0 0 0 0 0 0 0 TIMING: 1638400 CPU: 6551.49, 0.00395274/step Wall: 6551.49, 0.00395274/step, 0.946021 hours remaining, 114.367188 MB of memory in use. ENERGY: 1638400 641.2652 1815.3626 1962.5975 96.0616 1.1051 -1055.1824 0.0000 0.0000 2739.4853 6200.6949 302.5838 3461.2097 6237.2544 299.0907 PRESSURE: 1638600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1638600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1638600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1638600 0 0 0 0 0 0 0 0 0 TIMING: 1638600 CPU: 6552.28, 0.00395208/step Wall: 6552.28, 0.00395208/step, 0.945645 hours remaining, 114.367188 MB of memory in use. ENERGY: 1638600 639.9193 1893.0901 1972.0436 116.3367 1.0360 -1064.8083 0.0000 0.0000 2714.9389 6272.5563 299.8726 3557.6174 6304.4422 300.4104 PRESSURE: 1638800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1638800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1638800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1638800 0 0 0 0 0 0 0 0 0 TIMING: 1638800 CPU: 6553.07, 0.00395451/step Wall: 6553.07, 0.00395451/step, 0.946008 hours remaining, 114.367188 MB of memory in use. ENERGY: 1638800 670.7983 1869.2829 1969.2585 105.9196 1.7892 -1072.5728 0.0000 0.0000 2784.1026 6328.5783 307.5119 3544.4757 6362.1742 303.2376 PRESSURE: 1639000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1639000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1639000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1639000 0 0 0 0 0 0 0 0 0 TIMING: 1639000 CPU: 6553.86, 0.00395203/step Wall: 6553.86, 0.00395203/step, 0.945194 hours remaining, 114.367188 MB of memory in use. ENERGY: 1639000 641.9293 1903.9175 1974.4197 116.1155 2.5937 -1097.6314 0.0000 0.0000 2792.8181 6334.1624 308.4745 3541.3443 6367.5010 306.1576 PRESSURE: 1639200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1639200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1639200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1639200 0 0 0 0 0 0 0 0 0 TIMING: 1639200 CPU: 6554.65, 0.0039538/step Wall: 6554.65, 0.0039538/step, 0.945396 hours remaining, 114.367188 MB of memory in use. ENERGY: 1639200 694.2862 1886.2981 1985.3226 108.0204 0.8671 -1091.5391 0.0000 0.0000 2756.3619 6339.6172 304.4478 3583.2554 6372.8004 307.4409 PRESSURE: 1639400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1639400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1639400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1639400 0 0 0 0 0 0 0 0 0 TIMING: 1639400 CPU: 6555.44, 0.00394863/step Wall: 6555.44, 0.00394863/step, 0.943941 hours remaining, 114.367188 MB of memory in use. ENERGY: 1639400 688.2604 1886.5611 1969.0449 111.7331 0.5506 -1099.3796 0.0000 0.0000 2697.7270 6254.4974 297.9715 3556.7704 6287.6801 303.2498 PRESSURE: 1639600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1639600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1639600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1639600 0 0 0 0 0 0 0 0 0 TIMING: 1639600 CPU: 6556.23, 0.00395309/step Wall: 6556.23, 0.0039531/step, 0.944791 hours remaining, 114.367188 MB of memory in use. ENERGY: 1639600 661.4847 1899.5394 1985.5629 103.6751 0.2050 -1109.6361 0.0000 0.0000 2687.9664 6228.7974 296.8934 3540.8310 6260.7861 301.2671 PRESSURE: 1639800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1639800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1639800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1639800 0 0 0 0 0 0 0 0 0 TIMING: 1639800 CPU: 6557.02, 0.00395374/step Wall: 6557.02, 0.00395374/step, 0.944723 hours remaining, 114.367188 MB of memory in use. ENERGY: 1639800 654.8660 1867.8325 1949.5259 98.9958 1.4955 -1069.5979 0.0000 0.0000 2708.3306 6211.4485 299.1427 3503.1179 6243.9371 300.2859 PRESSURE: 1640000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1640000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1640000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1640000 0 0 0 0 0 0 0 0 0 TIMING: 1640000 CPU: 6557.81, 0.00395564/step Wall: 6557.81, 0.00395564/step, 0.944958 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1640000 675.0647 1814.1935 1995.5325 108.9935 0.8059 -1063.5722 0.0000 0.0000 2680.4795 6211.4973 296.0664 3531.0178 6243.6873 300.5150 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1640000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1640000 WRITING COORDINATES TO RESTART FILE AT STEP 1640000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1640000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1640200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1640200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1640200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1640200 0 0 0 0 0 0 0 0 0 TIMING: 1640200 CPU: 6558.64, 0.00416808/step Wall: 6558.64, 0.00416808/step, 0.995478 hours remaining, 114.367188 MB of memory in use. ENERGY: 1640200 645.9450 1845.5300 1973.0742 100.2747 2.5578 -1076.8324 0.0000 0.0000 2765.0489 6255.5982 305.4073 3490.5494 6293.0994 300.0832 LDB: ============= START OF LOAD BALANCING ============== 6561.6 LDB: ============== END OF LOAD BALANCING =============== 6561.6 LDB: =============== DONE WITH MIGRATION ================ 6561.6 LDB: ============= START OF LOAD BALANCING ============== 6562 LDB: ============== END OF LOAD BALANCING =============== 6562 LDB: =============== DONE WITH MIGRATION ================ 6562 PRESSURE: 1640400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1640400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1640400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1640400 0 0 0 0 0 0 0 0 0 TIMING: 1640400 CPU: 6559.43, 0.00395474/step Wall: 6559.43, 0.00395474/step, 0.944304 hours remaining, 114.367188 MB of memory in use. ENERGY: 1640400 645.8741 1803.4311 1967.6060 102.5992 0.9042 -1057.9315 0.0000 0.0000 2713.1973 6175.6805 299.6802 3462.4832 6210.5966 300.5865 PRESSURE: 1640600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1640600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1640600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1640600 0 0 0 0 0 0 0 0 0 TIMING: 1640600 CPU: 6560.23, 0.00395651/step Wall: 6560.23, 0.00395651/step, 0.944506 hours remaining, 114.367188 MB of memory in use. ENERGY: 1640600 633.5666 1839.3060 1979.3564 98.6129 1.2145 -1088.7386 0.0000 0.0000 2693.5977 6156.9154 297.5154 3463.3178 6188.8506 297.9960 PRESSURE: 1640800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1640800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1640800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1640800 0 0 0 0 0 0 0 0 0 TIMING: 1640800 CPU: 6561.02, 0.00395634/step Wall: 6561.02, 0.00395634/step, 0.944245 hours remaining, 114.367188 MB of memory in use. ENERGY: 1640800 621.2549 1824.4195 1962.4985 95.8961 0.9000 -1061.7988 0.0000 0.0000 2708.3268 6151.4969 299.1422 3443.1701 6183.4345 295.9979 PRESSURE: 1641000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1641000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1641000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1641000 0 0 0 0 0 0 0 0 0 TIMING: 1641000 CPU: 6561.81, 0.00395603/step Wall: 6561.81, 0.00395603/step, 0.943953 hours remaining, 114.367188 MB of memory in use. ENERGY: 1641000 670.4031 1797.0533 1973.0840 98.1964 2.3133 -1056.0738 0.0000 0.0000 2668.4873 6153.4636 294.7419 3484.9763 6186.1016 295.1962 PRESSURE: 1641200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1641200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1641200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1641200 0 0 0 0 0 0 0 0 0 TIMING: 1641200 CPU: 6562.6, 0.00395078/step Wall: 6562.6, 0.00395077/step, 0.942478 hours remaining, 114.367188 MB of memory in use. ENERGY: 1641200 660.5434 1839.5474 2003.5917 111.0009 0.7396 -1072.4329 0.0000 0.0000 2674.4999 6217.4900 295.4060 3542.9901 6250.4573 300.0382 PRESSURE: 1641400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1641400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1641400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1641400 0 0 0 0 0 0 0 0 0 TIMING: 1641400 CPU: 6563.39, 0.00395538/step Wall: 6563.39, 0.00395539/step, 0.943359 hours remaining, 114.367188 MB of memory in use. ENERGY: 1641400 678.4206 1860.1159 1958.3146 111.3732 1.7465 -1100.0717 0.0000 0.0000 2753.1032 6263.0024 304.0879 3509.8991 6293.9973 301.6917 PRESSURE: 1641600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1641600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1641600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1641600 0 0 0 0 0 0 0 0 0 TIMING: 1641600 CPU: 6564.18, 0.00395567/step Wall: 6564.18, 0.00395567/step, 0.943207 hours remaining, 114.367188 MB of memory in use. ENERGY: 1641600 663.1152 1862.7431 1970.4126 96.0550 -0.1698 -1128.3067 0.0000 0.0000 2778.7669 6242.6164 306.9225 3463.8495 6278.2749 302.9593 PRESSURE: 1641800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1641800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1641800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1641800 0 0 0 0 0 0 0 0 0 TIMING: 1641800 CPU: 6564.97, 0.00395616/step Wall: 6564.97, 0.00395616/step, 0.943104 hours remaining, 114.367188 MB of memory in use. ENERGY: 1641800 682.5928 1862.9196 1973.3811 93.3256 1.3633 -1061.1867 0.0000 0.0000 2706.5229 6258.9187 298.9430 3552.3958 6292.0062 302.3423 PRESSURE: 1642000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1642000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1642000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1642000 0 0 0 0 0 0 0 0 0 TIMING: 1642000 CPU: 6565.76, 0.00395491/step Wall: 6565.76, 0.00395491/step, 0.942588 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1642000 689.1028 1871.9131 1962.5119 99.4688 1.7963 -1074.0422 0.0000 0.0000 2778.9831 6329.7337 306.9464 3550.7507 6364.0871 303.4723 PRESSURE: 1642200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1642200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1642200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1642200 0 0 0 0 0 0 0 0 0 TIMING: 1642200 CPU: 6566.55, 0.00394783/step Wall: 6566.55, 0.00394782/step, 0.940679 hours remaining, 114.367188 MB of memory in use. ENERGY: 1642200 678.2214 1870.8434 1996.5932 104.7673 1.7645 -1078.3193 0.0000 0.0000 2707.7794 6281.6498 299.0818 3573.8704 6315.5876 305.3272 PRESSURE: 1642400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1642400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1642400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1642400 0 0 0 0 0 0 0 0 0 TIMING: 1642400 CPU: 6567.34, 0.00395333/step Wall: 6567.34, 0.00395334/step, 0.941772 hours remaining, 114.367188 MB of memory in use. ENERGY: 1642400 656.1766 1851.2679 1978.2543 115.4062 0.1238 -1090.2140 0.0000 0.0000 2774.6742 6285.6890 306.4705 3511.0148 6316.8330 304.1627 PRESSURE: 1642600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1642600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1642600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1642600 0 0 0 0 0 0 0 0 0 TIMING: 1642600 CPU: 6568.13, 0.00395312/step Wall: 6568.13, 0.00395312/step, 0.941502 hours remaining, 114.367188 MB of memory in use. ENERGY: 1642600 683.8834 1813.5396 1965.7384 94.1707 0.8152 -1056.6171 0.0000 0.0000 2715.0656 6216.5959 299.8866 3501.5303 6249.3984 303.6379 PRESSURE: 1642800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1642800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1642800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1642800 0 0 0 0 0 0 0 0 0 TIMING: 1642800 CPU: 6568.92, 0.00395257/step Wall: 6568.92, 0.00395257/step, 0.941151 hours remaining, 114.367188 MB of memory in use. ENERGY: 1642800 692.3665 1821.2527 1988.1682 116.6923 0.9336 -1106.3314 0.0000 0.0000 2696.5330 6209.6149 297.8396 3513.0818 6242.0444 300.2111 PRESSURE: 1643000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1643000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1643000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1643000 0 0 0 0 0 0 0 0 0 TIMING: 1643000 CPU: 6569.71, 0.00395294/step Wall: 6569.71, 0.00395293/step, 0.941018 hours remaining, 114.367188 MB of memory in use. ENERGY: 1643000 673.9774 1824.0079 1999.0618 98.8390 2.0033 -1076.9168 0.0000 0.0000 2713.0443 6234.0168 299.6633 3520.9726 6269.4351 299.9613 PRESSURE: 1643200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1643200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1643200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1643200 0 0 0 0 0 0 0 0 0 TIMING: 1643200 CPU: 6570.5, 0.00394667/step Wall: 6570.5, 0.00394668/step, 0.939309 hours remaining, 114.367188 MB of memory in use. ENERGY: 1643200 646.8449 1817.6642 1951.4007 108.4852 0.2676 -1070.2597 0.0000 0.0000 2779.9614 6234.3644 307.0545 3454.4029 6270.3436 300.1204 PRESSURE: 1643400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1643400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1643400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1643400 0 0 0 0 0 0 0 0 0 TIMING: 1643400 CPU: 6571.29, 0.00395339/step Wall: 6571.29, 0.00395339/step, 0.940687 hours remaining, 114.367188 MB of memory in use. ENERGY: 1643400 653.4651 1816.0543 1953.3413 99.8210 0.6579 -1053.1566 0.0000 0.0000 2778.1283 6248.3114 306.8520 3470.1831 6284.1023 301.9559 PRESSURE: 1643600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1643600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1643600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1643600 0 0 0 0 0 0 0 0 0 TIMING: 1643600 CPU: 6572.09, 0.00395362/step Wall: 6572.09, 0.00395362/step, 0.940523 hours remaining, 114.367188 MB of memory in use. ENERGY: 1643600 663.6619 1829.0215 1969.7271 106.7140 1.5860 -1048.1065 0.0000 0.0000 2707.5701 6230.1742 299.0587 3522.6041 6264.3136 300.0315 PRESSURE: 1643800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1643800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1643800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1643800 0 0 0 0 0 0 0 0 0 TIMING: 1643800 CPU: 6572.88, 0.00395235/step Wall: 6572.88, 0.00395235/step, 0.940002 hours remaining, 114.367188 MB of memory in use. ENERGY: 1643800 620.5914 1821.3025 1962.3488 110.7824 -0.2939 -1051.3257 0.0000 0.0000 2768.5963 6232.0017 305.7992 3463.4053 6268.5745 302.5066 PRESSURE: 1644000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1644000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1644000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1644000 0 0 0 0 0 0 0 0 0 TIMING: 1644000 CPU: 6573.67, 0.00395269/step Wall: 6573.67, 0.00395269/step, 0.939862 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1644000 687.1994 1840.8753 1958.2604 107.8358 -0.0214 -1071.6886 0.0000 0.0000 2750.5525 6273.0134 303.8062 3522.4609 6307.2463 301.6797 PRESSURE: 1644200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1644200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1644200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1644200 0 0 0 0 0 0 0 0 0 TIMING: 1644200 CPU: 6574.46, 0.00394528/step Wall: 6574.46, 0.00394528/step, 0.93788 hours remaining, 114.367188 MB of memory in use. ENERGY: 1644200 629.1528 1882.3358 1974.0279 105.7668 0.3474 -1072.8541 0.0000 0.0000 2705.1766 6223.9532 298.7943 3518.7766 6257.8493 301.8740 LDB: ============= START OF LOAD BALANCING ============== 6577.42 LDB: ============== END OF LOAD BALANCING =============== 6577.42 LDB: =============== DONE WITH MIGRATION ================ 6577.42 LDB: ============= START OF LOAD BALANCING ============== 6577.81 LDB: ============== END OF LOAD BALANCING =============== 6577.81 LDB: =============== DONE WITH MIGRATION ================ 6577.81 PRESSURE: 1644400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1644400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1644400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1644400 0 0 0 0 0 0 0 0 0 TIMING: 1644400 CPU: 6575.25, 0.00395731/step Wall: 6575.25, 0.00395731/step, 0.940521 hours remaining, 114.367188 MB of memory in use. ENERGY: 1644400 647.4773 1803.3876 1965.6576 112.0224 -0.1821 -1050.5600 0.0000 0.0000 2711.2168 6189.0196 299.4614 3477.8028 6221.3906 299.4605 PRESSURE: 1644600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1644600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1644600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1644600 0 0 0 0 0 0 0 0 0 TIMING: 1644600 CPU: 6576.04, 0.00395294/step Wall: 6576.04, 0.00395294/step, 0.939263 hours remaining, 114.367188 MB of memory in use. ENERGY: 1644600 669.0481 1772.5340 1982.6275 111.2313 -1.0147 -1055.2410 0.0000 0.0000 2688.5700 6167.7551 296.9600 3479.1851 6202.2793 297.7854 PRESSURE: 1644800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1644800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1644800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1644800 0 0 0 0 0 0 0 0 0 TIMING: 1644800 CPU: 6576.83, 0.00395045/step Wall: 6576.83, 0.00395045/step, 0.938451 hours remaining, 114.367188 MB of memory in use. ENERGY: 1644800 610.1146 1841.2107 1981.3729 112.8705 -0.1657 -1125.5483 0.0000 0.0000 2776.2499 6196.1046 306.6445 3419.8547 6232.7874 298.6353 PRESSURE: 1645000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1645000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1645000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1645000 0 0 0 0 0 0 0 0 0 TIMING: 1645000 CPU: 6577.62, 0.00394619/step Wall: 6577.62, 0.00394619/step, 0.937219 hours remaining, 114.367188 MB of memory in use. ENERGY: 1645000 683.9359 1795.6732 1973.9178 107.5172 1.2298 -1083.5986 0.0000 0.0000 2780.4526 6259.1280 307.1087 3478.6754 6292.9150 302.5008 PRESSURE: 1645200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1645200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1645200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1645200 0 0 0 0 0 0 0 0 0 TIMING: 1645200 CPU: 6578.41, 0.00395239/step Wall: 6578.41, 0.00395239/step, 0.938472 hours remaining, 114.367188 MB of memory in use. ENERGY: 1645200 661.7709 1792.5508 2009.9538 101.7274 0.0533 -1101.8898 0.0000 0.0000 2720.3046 6184.4709 300.4652 3464.1664 6217.3973 300.9272 PRESSURE: 1645400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1645400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1645400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1645400 0 0 0 0 0 0 0 0 0 TIMING: 1645400 CPU: 6579.2, 0.00395661/step Wall: 6579.2, 0.00395661/step, 0.939255 hours remaining, 114.367188 MB of memory in use. ENERGY: 1645400 645.8222 1839.0271 1985.7427 109.6109 0.9640 -1090.8807 0.0000 0.0000 2696.8362 6187.1224 297.8731 3490.2862 6220.1171 297.7568 PRESSURE: 1645600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1645600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1645600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1645600 0 0 0 0 0 0 0 0 0 TIMING: 1645600 CPU: 6579.99, 0.00395216/step Wall: 6579.99, 0.00395216/step, 0.937978 hours remaining, 114.367188 MB of memory in use. ENERGY: 1645600 632.1855 1813.4023 1957.6445 97.1339 1.2547 -1084.1677 0.0000 0.0000 2762.9864 6180.4395 305.1795 3417.4532 6214.5408 297.5058 PRESSURE: 1645800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1645800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1645800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1645800 0 0 0 0 0 0 0 0 0 TIMING: 1645800 CPU: 6580.78, 0.00395264/step Wall: 6580.78, 0.00395264/step, 0.937874 hours remaining, 114.367188 MB of memory in use. ENERGY: 1645800 652.3025 1809.3202 1975.3877 107.2981 1.3733 -1087.6929 0.0000 0.0000 2668.1021 6126.0911 294.6993 3457.9890 6156.4510 297.0297 PRESSURE: 1646000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1646000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1646000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1646000 0 0 0 0 0 0 0 0 0 TIMING: 1646000 CPU: 6581.57, 0.00394637/step Wall: 6581.57, 0.00394637/step, 0.936167 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1646000 643.2495 1821.6530 1995.1536 113.1182 -0.0739 -1065.9348 0.0000 0.0000 2665.1354 6172.3010 294.3716 3507.1655 6203.6910 297.4613 PRESSURE: 1646200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1646200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1646200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1646200 0 0 0 0 0 0 0 0 0 TIMING: 1646200 CPU: 6582.36, 0.00395154/step Wall: 6582.36, 0.00395154/step, 0.937175 hours remaining, 114.367188 MB of memory in use. ENERGY: 1646200 654.0868 1852.7160 1929.5997 114.7300 1.4870 -1115.0546 0.0000 0.0000 2695.4133 6132.9781 297.7159 3437.5648 6165.8545 297.2672 PRESSURE: 1646400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1646400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1646400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1646400 0 0 0 0 0 0 0 0 0 TIMING: 1646400 CPU: 6583.15, 0.00395229/step Wall: 6583.15, 0.00395229/step, 0.937133 hours remaining, 114.367188 MB of memory in use. ENERGY: 1646400 662.4887 1817.0034 1946.4220 104.6182 2.1654 -1094.1216 0.0000 0.0000 2736.5496 6175.1258 302.2595 3438.5762 6208.0233 298.5883 PRESSURE: 1646600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1646600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1646600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1646600 0 0 0 0 0 0 0 0 0 TIMING: 1646600 CPU: 6583.94, 0.00395195/step Wall: 6583.94, 0.00395195/step, 0.936833 hours remaining, 114.367188 MB of memory in use. ENERGY: 1646600 699.4103 1867.2871 1969.1637 115.8928 1.7313 -1135.5565 0.0000 0.0000 2651.5092 6169.4378 292.8666 3517.9287 6199.9069 296.0778 PRESSURE: 1646800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1646800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1646800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1646800 0 0 0 0 0 0 0 0 0 TIMING: 1646800 CPU: 6584.73, 0.00396177/step Wall: 6584.73, 0.00396177/step, 0.938938 hours remaining, 114.367188 MB of memory in use. ENERGY: 1646800 685.5193 1810.6816 1954.1630 102.2695 1.4366 -1065.2877 0.0000 0.0000 2717.7975 6206.5797 300.1883 3488.7823 6239.7119 298.2477 PRESSURE: 1647000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1647000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1647000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1647000 0 0 0 0 0 0 0 0 0 TIMING: 1647000 CPU: 6585.52, 0.00395051/step Wall: 6585.52, 0.00395051/step, 0.936053 hours remaining, 114.367188 MB of memory in use. ENERGY: 1647000 621.2053 1862.6946 1967.6172 119.7411 2.7965 -1051.2431 0.0000 0.0000 2659.6218 6182.4333 293.7626 3522.8116 6215.3202 299.3194 PRESSURE: 1647200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1647200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1647200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1647200 0 0 0 0 0 0 0 0 0 TIMING: 1647200 CPU: 6586.31, 0.00395348/step Wall: 6586.31, 0.00395348/step, 0.936537 hours remaining, 114.367188 MB of memory in use. ENERGY: 1647200 620.4200 1816.0562 1973.6523 110.0583 0.7768 -1042.1968 0.0000 0.0000 2679.4605 6158.2273 295.9539 3478.7668 6190.0078 296.9114 PRESSURE: 1647400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1647400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1647400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1647400 0 0 0 0 0 0 0 0 0 TIMING: 1647400 CPU: 6587.1, 0.00395371/step Wall: 6587.1, 0.00395371/step, 0.936371 hours remaining, 114.367188 MB of memory in use. ENERGY: 1647400 641.0456 1828.8754 1988.9739 102.6242 0.0116 -1083.4723 0.0000 0.0000 2656.2498 6134.3082 293.3902 3478.0584 6165.9662 297.0474 PRESSURE: 1647600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1647600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1647600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1647600 0 0 0 0 0 0 0 0 0 TIMING: 1647600 CPU: 6587.89, 0.00395123/step Wall: 6587.89, 0.00395123/step, 0.935563 hours remaining, 114.367188 MB of memory in use. ENERGY: 1647600 666.9346 1808.4051 1932.6294 97.5984 1.2236 -1077.9659 0.0000 0.0000 2707.8889 6136.7141 299.0939 3428.8252 6166.4692 294.7373 PRESSURE: 1647800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1647800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1647800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1647800 0 0 0 0 0 0 0 0 0 TIMING: 1647800 CPU: 6588.68, 0.0039465/step Wall: 6588.68, 0.0039465/step, 0.934225 hours remaining, 114.367188 MB of memory in use. ENERGY: 1647800 666.8657 1872.8668 1952.4612 103.4404 1.6618 -1143.6844 0.0000 0.0000 2694.1727 6147.7842 297.5789 3453.6115 6181.4760 297.8421 PRESSURE: 1648000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1648000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1648000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1648000 0 0 0 0 0 0 0 0 0 TIMING: 1648000 CPU: 6589.47, 0.00395046/step Wall: 6589.47, 0.00395046/step, 0.934943 hours remaining, 114.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1648000 651.3339 1854.8868 1954.6360 118.3256 0.5189 -1083.0932 0.0000 0.0000 2716.1849 6212.7929 300.0102 3496.6079 6241.7065 299.3352 PRESSURE: 1648200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1648200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1648200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1648200 0 0 0 0 0 0 0 0 0 TIMING: 1648200 CPU: 6590.26, 0.00395132/step Wall: 6590.26, 0.00395132/step, 0.934926 hours remaining, 114.367188 MB of memory in use. ENERGY: 1648200 637.1938 1800.3561 1960.5458 94.7183 2.1722 -1067.8486 0.0000 0.0000 2687.8427 6114.9803 296.8797 3427.1376 6150.4644 297.6871 LDB: ============= START OF LOAD BALANCING ============== 6593.22 LDB: ============== END OF LOAD BALANCING =============== 6593.22 LDB: =============== DONE WITH MIGRATION ================ 6593.22 LDB: ============= START OF LOAD BALANCING ============== 6593.62 LDB: ============== END OF LOAD BALANCING =============== 6593.62 LDB: =============== DONE WITH MIGRATION ================ 6593.62 PRESSURE: 1648400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1648400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1648400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1648400 0 0 0 0 0 0 0 0 0 TIMING: 1648400 CPU: 6591.05, 0.0039555/step Wall: 6591.05, 0.0039555/step, 0.935697 hours remaining, 114.367188 MB of memory in use. ENERGY: 1648400 660.7210 1844.9230 1975.7522 118.3468 1.5523 -1101.8121 0.0000 0.0000 2694.7004 6194.1836 297.6372 3499.4832 6228.4314 295.1862 PRESSURE: 1648600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1648600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1648600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1648600 0 0 0 0 0 0 0 0 0 TIMING: 1648600 CPU: 6591.84, 0.00394878/step Wall: 6591.84, 0.00394878/step, 0.933887 hours remaining, 114.367188 MB of memory in use. ENERGY: 1648600 633.2000 1889.1787 1970.4873 92.9682 -0.5403 -1110.3160 0.0000 0.0000 2725.3582 6200.3362 301.0234 3474.9779 6233.7493 299.8427 PRESSURE: 1648800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1648800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1648800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1648800 0 0 0 0 0 0 0 0 0 TIMING: 1648800 CPU: 6592.63, 0.00394664/step Wall: 6592.63, 0.00394664/step, 0.933162 hours remaining, 114.367188 MB of memory in use. ENERGY: 1648800 650.6310 1866.2711 1957.4826 114.7063 0.4690 -1092.2096 0.0000 0.0000 2659.9697 6157.3200 293.8011 3497.3504 6191.4276 298.8850 PRESSURE: 1649000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1649000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1649000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1649000 0 0 0 0 0 0 0 0 0 TIMING: 1649000 CPU: 6593.42, 0.00395039/step Wall: 6593.42, 0.00395039/step, 0.933827 hours remaining, 114.367188 MB of memory in use. ENERGY: 1649000 664.2072 1853.3706 1961.8523 109.3892 1.1768 -1074.5466 0.0000 0.0000 2676.3118 6191.7613 295.6061 3515.4495 6222.3498 297.4865 PRESSURE: 1649200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1649200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1649200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1649200 0 0 0 0 0 0 0 0 0 TIMING: 1649200 CPU: 6594.21, 0.00394931/step Wall: 6594.21, 0.00394931/step, 0.933355 hours remaining, 114.367188 MB of memory in use. ENERGY: 1649200 671.0926 1842.3818 1974.8969 100.5388 0.5416 -1057.8194 0.0000 0.0000 2661.8243 6193.4567 294.0059 3531.6324 6226.0019 298.4329 PRESSURE: 1649400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1649400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1649400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1649400 0 0 0 0 0 0 0 0 0 TIMING: 1649400 CPU: 6595, 0.00394886/step Wall: 6595, 0.00394886/step, 0.933028 hours remaining, 114.367188 MB of memory in use. ENERGY: 1649400 663.3867 1836.7812 1992.3400 106.8003 1.6676 -1078.5414 0.0000 0.0000 2700.6119 6223.0464 298.2901 3522.4345 6256.1256 299.5874 PRESSURE: 1649600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1649600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1649600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1649600 0 0 0 0 0 0 0 0 0 TIMING: 1649600 CPU: 6595.79, 0.00394907/step Wall: 6595.79, 0.00394907/step, 0.932858 hours remaining, 114.367188 MB of memory in use. ENERGY: 1649600 656.2086 1851.4260 1981.0175 99.9186 1.3871 -1104.7696 0.0000 0.0000 2771.5305 6256.7188 306.1233 3485.1883 6292.4370 301.7638 PRESSURE: 1649800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1649800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1649800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1649800 0 0 0 0 0 0 0 0 0 TIMING: 1649800 CPU: 6596.58, 0.00394644/step Wall: 6596.58, 0.00394644/step, 0.932019 hours remaining, 114.367188 MB of memory in use. ENERGY: 1649800 646.2532 1880.3477 1989.5991 116.2915 2.0639 -1087.7128 0.0000 0.0000 2742.7891 6289.6317 302.9487 3546.8426 6324.1222 302.6215 PRESSURE: 1650000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1650000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1650000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1650000 0 0 0 0 0 0 0 0 0 TIMING: 1650000 CPU: 6597.37, 0.00394958/step Wall: 6597.37, 0.00394958/step, 0.932539 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1650000 639.0769 1844.9743 1986.5645 117.1086 0.9648 -1068.5513 0.0000 0.0000 2783.1651 6303.3029 307.4083 3520.1378 6340.1452 303.7397 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1650000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1650000 WRITING COORDINATES TO RESTART FILE AT STEP 1650000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1650000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1650200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1650200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1650200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1650200 0 0 0 0 0 0 0 0 0 TIMING: 1650200 CPU: 6598.2, 0.00413953/step Wall: 6598.2, 0.00413954/step, 0.977161 hours remaining, 114.394531 MB of memory in use. ENERGY: 1650200 640.1749 1837.2198 1982.0347 105.9661 2.3145 -1094.8974 0.0000 0.0000 2809.2126 6282.0251 310.2854 3472.8125 6318.2106 304.2316 PRESSURE: 1650400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1650400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1650400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1650400 0 0 0 0 0 0 0 0 0 TIMING: 1650400 CPU: 6598.99, 0.00394933/step Wall: 6598.99, 0.00394933/step, 0.932042 hours remaining, 114.394531 MB of memory in use. ENERGY: 1650400 624.1306 1863.1544 1972.9200 112.2545 1.4720 -1105.7433 0.0000 0.0000 2784.7732 6252.9614 307.5860 3468.1882 6282.1016 302.8070 PRESSURE: 1650600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1650600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1650600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1650600 0 0 0 0 0 0 0 0 0 TIMING: 1650600 CPU: 6599.78, 0.00395197/step Wall: 6599.78, 0.00395197/step, 0.932445 hours remaining, 114.394531 MB of memory in use. ENERGY: 1650600 664.5516 1828.2986 1983.6502 115.0110 0.7775 -1071.8633 0.0000 0.0000 2718.4599 6238.8855 300.2615 3520.4256 6270.4319 301.5391 PRESSURE: 1650800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1650800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1650800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1650800 0 0 0 0 0 0 0 0 0 TIMING: 1650800 CPU: 6600.57, 0.00394676/step Wall: 6600.57, 0.00394676/step, 0.930997 hours remaining, 114.394531 MB of memory in use. ENERGY: 1650800 666.2686 1889.8247 1956.4390 101.7693 1.4068 -1091.6415 0.0000 0.0000 2643.4314 6167.4983 291.9744 3524.0669 6197.2054 298.6852 PRESSURE: 1651000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1651000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1651000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1651000 0 0 0 0 0 0 0 0 0 TIMING: 1651000 CPU: 6601.36, 0.003951/step Wall: 6601.36, 0.003951/step, 0.931777 hours remaining, 114.394531 MB of memory in use. ENERGY: 1651000 632.0980 1901.0569 1966.7159 106.8295 1.0892 -1079.0701 0.0000 0.0000 2684.4019 6213.1213 296.4997 3528.7194 6243.8395 297.4798 PRESSURE: 1651200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1651200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1651200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1651200 0 0 0 0 0 0 0 0 0 TIMING: 1651200 CPU: 6602.15, 0.0039517/step Wall: 6602.15, 0.0039517/step, 0.931724 hours remaining, 114.394531 MB of memory in use. ENERGY: 1651200 677.2335 1838.2349 1984.6803 107.3239 -0.5419 -1101.5915 0.0000 0.0000 2665.0923 6170.4314 294.3669 3505.3391 6204.0653 299.2139 PRESSURE: 1651400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1651400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1651400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1651400 0 0 0 0 0 0 0 0 0 TIMING: 1651400 CPU: 6602.94, 0.00394946/step Wall: 6602.94, 0.00394946/step, 0.930977 hours remaining, 114.394531 MB of memory in use. ENERGY: 1651400 647.3317 1858.4514 1982.7458 123.8405 0.6134 -1101.7699 0.0000 0.0000 2673.6078 6184.8206 295.3074 3511.2128 6216.0085 298.0162 PRESSURE: 1651600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1651600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1651600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1651600 0 0 0 0 0 0 0 0 0 TIMING: 1651600 CPU: 6603.73, 0.00394986/step Wall: 6603.73, 0.00394986/step, 0.930849 hours remaining, 114.394531 MB of memory in use. ENERGY: 1651600 654.2854 1875.0431 1971.1357 111.2492 0.1468 -1069.2323 0.0000 0.0000 2678.2395 6220.8673 295.8190 3542.6278 6253.6449 299.0140 PRESSURE: 1651800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1651800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1651800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1651800 0 0 0 0 0 0 0 0 0 TIMING: 1651800 CPU: 6604.52, 0.00394369/step Wall: 6604.52, 0.00394369/step, 0.929178 hours remaining, 114.394531 MB of memory in use. ENERGY: 1651800 659.3490 1892.2672 1979.6914 99.2795 0.6338 -1114.1583 0.0000 0.0000 2714.3225 6231.3850 299.8045 3517.0625 6267.4073 299.7567 PRESSURE: 1652000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1652000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1652000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1652000 0 0 0 0 0 0 0 0 0 TIMING: 1652000 CPU: 6605.31, 0.00395129/step Wall: 6605.31, 0.00395129/step, 0.930748 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1652000 649.6529 1840.9868 1962.9101 96.5312 -0.1240 -1050.7498 0.0000 0.0000 2732.6482 6231.8554 301.8286 3499.2072 6266.1366 300.3155 PRESSURE: 1652200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1652200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1652200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1652200 0 0 0 0 0 0 0 0 0 TIMING: 1652200 CPU: 6606.1, 0.00395119/step Wall: 6606.1, 0.00395119/step, 0.930505 hours remaining, 114.394531 MB of memory in use. ENERGY: 1652200 619.3542 1926.7731 1966.6721 109.3525 0.1890 -1131.1770 0.0000 0.0000 2727.8117 6218.9755 301.2944 3491.1638 6250.0339 300.6327 LDB: ============= START OF LOAD BALANCING ============== 6609.06 LDB: ============== END OF LOAD BALANCING =============== 6609.06 LDB: =============== DONE WITH MIGRATION ================ 6609.06 LDB: ============= START OF LOAD BALANCING ============== 6609.46 LDB: ============== END OF LOAD BALANCING =============== 6609.46 LDB: =============== DONE WITH MIGRATION ================ 6609.46 PRESSURE: 1652400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1652400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1652400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1652400 0 0 0 0 0 0 0 0 0 TIMING: 1652400 CPU: 6606.89, 0.00395622/step Wall: 6606.89, 0.00395622/step, 0.931471 hours remaining, 114.394531 MB of memory in use. ENERGY: 1652400 637.7347 1891.0066 1983.7890 107.1999 1.4844 -1098.9222 0.0000 0.0000 2704.7291 6227.0215 298.7449 3522.2924 6262.9832 302.2255 PRESSURE: 1652600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1652600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1652600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1652600 0 0 0 0 0 0 0 0 0 TIMING: 1652600 CPU: 6607.68, 0.00394576/step Wall: 6607.68, 0.00394576/step, 0.928788 hours remaining, 114.394531 MB of memory in use. ENERGY: 1652600 655.8761 1860.0389 1978.6173 110.8610 1.2358 -1098.3094 0.0000 0.0000 2721.0920 6229.4117 300.5522 3508.3196 6260.6125 300.6275 PRESSURE: 1652800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1652800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1652800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1652800 0 0 0 0 0 0 0 0 0 TIMING: 1652800 CPU: 6608.47, 0.00395192/step Wall: 6608.47, 0.00395192/step, 0.930017 hours remaining, 114.394531 MB of memory in use. ENERGY: 1652800 670.0022 1865.6576 1966.7420 112.4874 0.2465 -1088.7039 0.0000 0.0000 2719.0500 6245.4819 300.3266 3526.4319 6276.7012 301.7941 PRESSURE: 1653000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1653000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1653000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1653000 0 0 0 0 0 0 0 0 0 TIMING: 1653000 CPU: 6609.26, 0.00395185/step Wall: 6609.26, 0.00395185/step, 0.929781 hours remaining, 114.394531 MB of memory in use. ENERGY: 1653000 655.2725 1851.6664 1987.1910 91.2146 -0.0886 -1082.0448 0.0000 0.0000 2726.2776 6229.4887 301.1250 3503.2111 6265.2319 300.3098 PRESSURE: 1653200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1653200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1653200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1653200 0 0 0 0 0 0 0 0 0 TIMING: 1653200 CPU: 6610.05, 0.00395164/step Wall: 6610.05, 0.00395164/step, 0.929515 hours remaining, 114.394531 MB of memory in use. ENERGY: 1653200 654.6694 1850.9619 1946.0459 109.6267 0.2038 -1066.3153 0.0000 0.0000 2737.7540 6232.9463 302.3926 3495.1923 6267.1430 298.7319 PRESSURE: 1653400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1653400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1653400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1653400 0 0 0 0 0 0 0 0 0 TIMING: 1653400 CPU: 6610.84, 0.00395085/step Wall: 6610.84, 0.00395085/step, 0.929108 hours remaining, 114.394531 MB of memory in use. ENERGY: 1653400 641.0783 1867.7110 1965.4275 110.5452 0.5749 -1089.9971 0.0000 0.0000 2746.0550 6241.3948 303.3094 3495.3398 6273.4568 300.6945 PRESSURE: 1653600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1653600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1653600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1653600 0 0 0 0 0 0 0 0 0 TIMING: 1653600 CPU: 6611.63, 0.00394647/step Wall: 6611.63, 0.00394647/step, 0.927859 hours remaining, 114.394531 MB of memory in use. ENERGY: 1653600 678.4875 1828.3791 1971.6359 124.0968 0.3814 -1119.8680 0.0000 0.0000 2738.6642 6221.7769 302.4931 3483.1127 6256.2363 300.4181 PRESSURE: 1653800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1653800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1653800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1653800 0 0 0 0 0 0 0 0 0 TIMING: 1653800 CPU: 6612.42, 0.00395061/step Wall: 6612.42, 0.00395061/step, 0.928613 hours remaining, 114.394531 MB of memory in use. ENERGY: 1653800 616.1835 1874.7781 1975.0596 117.1495 0.8195 -1064.3780 0.0000 0.0000 2786.5404 6306.1526 307.7811 3519.6122 6341.8328 302.6196 PRESSURE: 1654000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1654000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1654000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1654000 0 0 0 0 0 0 0 0 0 TIMING: 1654000 CPU: 6613.21, 0.00394994/step Wall: 6613.21, 0.00394994/step, 0.928237 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1654000 639.8306 1842.7514 1980.0496 111.1539 -0.0838 -1072.2459 0.0000 0.0000 2747.9442 6249.3999 303.5181 3501.4557 6284.1963 304.7286 PRESSURE: 1654200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1654200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1654200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1654200 0 0 0 0 0 0 0 0 0 TIMING: 1654200 CPU: 6614, 0.00395095/step Wall: 6614, 0.00395095/step, 0.928255 hours remaining, 114.394531 MB of memory in use. ENERGY: 1654200 637.3340 1851.4294 1964.3908 111.6059 -0.2468 -1078.0266 0.0000 0.0000 2741.4376 6227.9244 302.7994 3486.4867 6262.2309 300.7206 PRESSURE: 1654400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1654400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1654400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1654400 0 0 0 0 0 0 0 0 0 TIMING: 1654400 CPU: 6614.79, 0.00395128/step Wall: 6614.79, 0.00395128/step, 0.928111 hours remaining, 114.394531 MB of memory in use. ENERGY: 1654400 657.8942 1906.9174 1972.6446 96.0163 -0.1107 -1092.1808 0.0000 0.0000 2705.0100 6246.1910 298.7759 3541.1810 6277.8393 301.3065 PRESSURE: 1654600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1654600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1654600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1654600 0 0 0 0 0 0 0 0 0 TIMING: 1654600 CPU: 6615.58, 0.00394637/step Wall: 6615.58, 0.00394637/step, 0.926738 hours remaining, 114.394531 MB of memory in use. ENERGY: 1654600 693.4649 1930.8961 1971.2313 112.7287 -0.2670 -1127.2501 0.0000 0.0000 2668.0586 6248.8624 294.6945 3580.8038 6281.5089 299.7546 PRESSURE: 1654800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1654800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1654800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1654800 0 0 0 0 0 0 0 0 0 TIMING: 1654800 CPU: 6616.37, 0.00395042/step Wall: 6616.37, 0.00395042/step, 0.927471 hours remaining, 114.394531 MB of memory in use. ENERGY: 1654800 665.8889 1834.7360 1951.3484 114.3202 0.7840 -1087.5234 0.0000 0.0000 2737.5858 6217.1399 302.3740 3479.5541 6252.2115 299.9719 PRESSURE: 1655000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1655000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1655000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1655000 0 0 0 0 0 0 0 0 0 TIMING: 1655000 CPU: 6617.16, 0.00395166/step Wall: 6617.16, 0.00395166/step, 0.927543 hours remaining, 114.394531 MB of memory in use. ENERGY: 1655000 678.3733 1859.0657 2009.3773 102.7906 -0.0489 -1091.5690 0.0000 0.0000 2667.3665 6225.3556 294.6181 3557.9891 6259.7533 298.6890 PRESSURE: 1655200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1655200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1655200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1655200 0 0 0 0 0 0 0 0 0 TIMING: 1655200 CPU: 6617.95, 0.00395073/step Wall: 6617.95, 0.00395073/step, 0.927104 hours remaining, 114.394531 MB of memory in use. ENERGY: 1655200 677.1061 1816.7337 1971.8996 107.6724 1.2097 -1098.3907 0.0000 0.0000 2714.7467 6190.9775 299.8513 3476.2308 6224.7715 298.8281 PRESSURE: 1655400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1655400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1655400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1655400 0 0 0 0 0 0 0 0 0 TIMING: 1655400 CPU: 6618.74, 0.00394846/step Wall: 6618.74, 0.00394846/step, 0.926353 hours remaining, 114.394531 MB of memory in use. ENERGY: 1655400 676.3166 1794.1524 1993.0345 103.3109 0.8581 -1085.5618 0.0000 0.0000 2750.6828 6232.7935 303.8206 3482.1107 6267.8658 299.2297 PRESSURE: 1655600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1655600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1655600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1655600 0 0 0 0 0 0 0 0 0 TIMING: 1655600 CPU: 6619.53, 0.00396315/step Wall: 6619.53, 0.00396315/step, 0.929578 hours remaining, 114.394531 MB of memory in use. ENERGY: 1655600 665.9794 1875.9038 1981.7184 114.1732 1.4018 -1066.5080 0.0000 0.0000 2699.5030 6272.1717 298.1676 3572.6687 6303.9458 302.0686 PRESSURE: 1655800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1655800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1655800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1655800 0 0 0 0 0 0 0 0 0 TIMING: 1655800 CPU: 6620.32, 0.00395155/step Wall: 6620.32, 0.00395155/step, 0.926639 hours remaining, 114.394531 MB of memory in use. ENERGY: 1655800 696.4071 1827.7150 2005.4896 119.9383 2.4584 -1082.5669 0.0000 0.0000 2693.5195 6262.9609 297.5067 3569.4413 6292.8386 301.3169 PRESSURE: 1656000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1656000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1656000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1656000 0 0 0 0 0 0 0 0 0 TIMING: 1656000 CPU: 6621.11, 0.00395253/step Wall: 6621.11, 0.00395253/step, 0.926649 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1656000 657.1214 1879.6768 1984.4397 111.1340 1.6893 -1114.9002 0.0000 0.0000 2700.7884 6219.9494 298.3096 3519.1609 6254.5013 301.6724 PRESSURE: 1656200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1656200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1656200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1656200 0 0 0 0 0 0 0 0 0 TIMING: 1656200 CPU: 6621.9, 0.00395187/step Wall: 6621.9, 0.00395187/step, 0.926276 hours remaining, 114.394531 MB of memory in use. ENERGY: 1656200 654.4461 1880.0454 1961.7117 112.4671 1.7746 -1082.6580 0.0000 0.0000 2671.2478 6199.0348 295.0468 3527.7870 6229.0124 300.3041 LDB: ============= START OF LOAD BALANCING ============== 6624.86 LDB: ============== END OF LOAD BALANCING =============== 6624.86 LDB: =============== DONE WITH MIGRATION ================ 6624.86 LDB: ============= START OF LOAD BALANCING ============== 6625.26 LDB: ============== END OF LOAD BALANCING =============== 6625.26 LDB: =============== DONE WITH MIGRATION ================ 6625.26 PRESSURE: 1656400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1656400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1656400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1656400 0 0 0 0 0 0 0 0 0 TIMING: 1656400 CPU: 6622.69, 0.00395091/step Wall: 6622.69, 0.00395091/step, 0.925831 hours remaining, 114.394531 MB of memory in use. ENERGY: 1656400 642.3472 1854.2731 1988.7410 107.3224 0.4847 -1111.3323 0.0000 0.0000 2708.7175 6190.5536 299.1854 3481.8361 6224.7859 297.0858 PRESSURE: 1656600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1656600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1656600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1656600 0 0 0 0 0 0 0 0 0 TIMING: 1656600 CPU: 6623.49, 0.0039519/step Wall: 6623.49, 0.0039519/step, 0.925842 hours remaining, 114.394531 MB of memory in use. ENERGY: 1656600 673.0909 1859.5307 2018.5238 107.0950 0.3619 -1135.7236 0.0000 0.0000 2701.8443 6224.7230 298.4262 3522.8787 6255.4239 299.0137 PRESSURE: 1656800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1656800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1656800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1656800 0 0 0 0 0 0 0 0 0 TIMING: 1656800 CPU: 6624.28, 0.00395194/step Wall: 6624.28, 0.00395194/step, 0.925631 hours remaining, 114.394531 MB of memory in use. ENERGY: 1656800 656.9772 1856.3399 1979.6829 117.0459 -0.4186 -1096.5972 0.0000 0.0000 2731.9525 6244.9827 301.7518 3513.0301 6279.6246 300.0388 PRESSURE: 1657000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1657000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1657000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1657000 0 0 0 0 0 0 0 0 0 TIMING: 1657000 CPU: 6625.07, 0.00395242/step Wall: 6625.07, 0.00395242/step, 0.925525 hours remaining, 114.394531 MB of memory in use. ENERGY: 1657000 584.5052 1856.6818 1969.1349 103.9318 1.8405 -1045.7325 0.0000 0.0000 2743.4389 6213.8006 303.0205 3470.3617 6251.5874 303.2190 PRESSURE: 1657200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1657200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1657200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1657200 0 0 0 0 0 0 0 0 0 TIMING: 1657200 CPU: 6625.86, 0.00395055/step Wall: 6625.86, 0.00395055/step, 0.924868 hours remaining, 114.394531 MB of memory in use. ENERGY: 1657200 662.0335 1884.4663 1966.6690 105.6147 1.2094 -1098.9005 0.0000 0.0000 2666.5006 6187.5931 294.5224 3521.0925 6219.2496 299.3385 PRESSURE: 1657400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1657400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1657400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1657400 0 0 0 0 0 0 0 0 0 TIMING: 1657400 CPU: 6626.65, 0.00394597/step Wall: 6626.65, 0.00394597/step, 0.923575 hours remaining, 114.394531 MB of memory in use. ENERGY: 1657400 624.0227 1863.1264 2009.8797 113.9337 -0.6772 -1110.2388 0.0000 0.0000 2709.7445 6209.7910 299.2988 3500.0465 6245.7860 298.7332 PRESSURE: 1657600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1657600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1657600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1657600 0 0 0 0 0 0 0 0 0 TIMING: 1657600 CPU: 6627.44, 0.00395109/step Wall: 6627.44, 0.0039511/step, 0.924556 hours remaining, 114.394531 MB of memory in use. ENERGY: 1657600 658.8390 1831.3343 1964.3451 102.7406 0.8546 -1085.7014 0.0000 0.0000 2685.7269 6158.1391 296.6460 3472.4122 6190.8605 298.3866 PRESSURE: 1657800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1657800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1657800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1657800 0 0 0 0 0 0 0 0 0 TIMING: 1657800 CPU: 6628.23, 0.0039505/step Wall: 6628.23, 0.0039505/step, 0.924198 hours remaining, 114.394531 MB of memory in use. ENERGY: 1657800 649.5022 1825.9353 1963.1011 94.4274 0.6013 -1121.9785 0.0000 0.0000 2744.4123 6156.0010 303.1280 3411.5887 6192.2726 296.6450 PRESSURE: 1658000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1658000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1658000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1658000 0 0 0 0 0 0 0 0 0 TIMING: 1658000 CPU: 6629.02, 0.00395085/step Wall: 6629.02, 0.00395085/step, 0.924059 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1658000 632.5519 1815.6524 1977.4156 116.5781 0.2855 -1084.4317 0.0000 0.0000 2700.4004 6158.4523 298.2668 3458.0518 6192.7703 297.3691 PRESSURE: 1658200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1658200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1658200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1658200 0 0 0 0 0 0 0 0 0 TIMING: 1658200 CPU: 6629.81, 0.00395229/step Wall: 6629.81, 0.00395228/step, 0.924175 hours remaining, 114.394531 MB of memory in use. ENERGY: 1658200 660.2026 1803.4235 1969.0583 111.9917 -0.2225 -1082.3447 0.0000 0.0000 2681.2563 6143.3651 296.1522 3462.1088 6177.2411 295.9195 PRESSURE: 1658400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1658400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1658400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1658400 0 0 0 0 0 0 0 0 0 TIMING: 1658400 CPU: 6630.6, 0.00394663/step Wall: 6630.6, 0.00394663/step, 0.922635 hours remaining, 114.394531 MB of memory in use. ENERGY: 1658400 633.5580 1835.4204 2005.3739 84.3713 0.0323 -1124.3348 0.0000 0.0000 2656.8952 6091.3164 293.4615 3434.4212 6119.5393 295.3819 PRESSURE: 1658600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1658600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1658600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1658600 0 0 0 0 0 0 0 0 0 TIMING: 1658600 CPU: 6631.39, 0.00396421/step Wall: 6631.39, 0.00396421/step, 0.926523 hours remaining, 114.394531 MB of memory in use. ENERGY: 1658600 631.9145 1782.9060 1994.0378 110.8456 2.5102 -1084.5096 0.0000 0.0000 2706.9446 6144.6492 298.9896 3437.7046 6175.5938 296.0211 PRESSURE: 1658800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1658800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1658800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1658800 0 0 0 0 0 0 0 0 0 TIMING: 1658800 CPU: 6632.18, 0.00395273/step Wall: 6632.18, 0.00395273/step, 0.923622 hours remaining, 114.394531 MB of memory in use. ENERGY: 1658800 664.3477 1794.2558 1967.1487 104.3508 0.7366 -1072.3515 0.0000 0.0000 2678.2503 6136.7384 295.8202 3458.4882 6169.2954 295.5547 PRESSURE: 1659000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1659000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1659000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1659000 0 0 0 0 0 0 0 0 0 TIMING: 1659000 CPU: 6632.97, 0.00395121/step Wall: 6632.97, 0.00395121/step, 0.923047 hours remaining, 114.394531 MB of memory in use. ENERGY: 1659000 606.3081 1832.5054 1954.6448 100.8116 0.1327 -1086.0801 0.0000 0.0000 2694.2911 6102.6135 297.5920 3408.3224 6137.7383 294.2297 PRESSURE: 1659200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1659200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1659200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1659200 0 0 0 0 0 0 0 0 0 TIMING: 1659200 CPU: 6633.76, 0.00394723/step Wall: 6633.76, 0.00394723/step, 0.921898 hours remaining, 114.394531 MB of memory in use. ENERGY: 1659200 652.0105 1850.3515 1986.1214 105.7859 0.8264 -1084.4332 0.0000 0.0000 2651.8874 6162.5498 292.9083 3510.6624 6191.7631 296.0280 PRESSURE: 1659400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1659400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1659400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1659400 0 0 0 0 0 0 0 0 0 TIMING: 1659400 CPU: 6634.55, 0.00395116/step Wall: 6634.55, 0.00395116/step, 0.922597 hours remaining, 114.394531 MB of memory in use. ENERGY: 1659400 630.4838 1822.8293 1986.3737 111.1271 1.3394 -1110.6631 0.0000 0.0000 2706.2452 6147.7353 298.9123 3441.4901 6180.7802 296.6405 PRESSURE: 1659600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1659600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1659600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1659600 0 0 0 0 0 0 0 0 0 TIMING: 1659600 CPU: 6635.34, 0.0039527/step Wall: 6635.34, 0.0039527/step, 0.922735 hours remaining, 114.394531 MB of memory in use. ENERGY: 1659600 653.8124 1864.4249 1963.7112 114.2405 0.3895 -1075.0618 0.0000 0.0000 2683.1769 6204.6936 296.3644 3521.5166 6235.1266 296.6123 PRESSURE: 1659800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1659800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1659800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1659800 0 0 0 0 0 0 0 0 0 TIMING: 1659800 CPU: 6636.13, 0.00395211/step Wall: 6636.13, 0.00395211/step, 0.922377 hours remaining, 114.394531 MB of memory in use. ENERGY: 1659800 672.9948 1801.5575 2000.9856 119.4845 0.1749 -1094.6962 0.0000 0.0000 2712.7144 6213.2154 299.6269 3500.5010 6245.4787 296.3888 PRESSURE: 1660000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1660000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1660000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1660000 0 0 0 0 0 0 0 0 0 TIMING: 1660000 CPU: 6636.92, 0.00395264/step Wall: 6636.92, 0.00395264/step, 0.922283 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1660000 636.4763 1856.6399 1996.2095 120.4554 0.2104 -1129.0650 0.0000 0.0000 2758.0441 6238.9706 304.6337 3480.9265 6273.7399 299.8167 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1660000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1660000 WRITING COORDINATES TO RESTART FILE AT STEP 1660000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1660000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1660200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1660200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1660200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1660200 0 0 0 0 0 0 0 0 0 TIMING: 1660200 CPU: 6638.17, 0.00624054/step Wall: 6638.17, 0.00624054/step, 1.45578 hours remaining, 114.394531 MB of memory in use. ENERGY: 1660200 630.1555 1893.9159 1991.6368 112.0330 1.0866 -1104.2927 0.0000 0.0000 2672.1721 6196.7071 295.1488 3524.5351 6228.2715 299.2422 LDB: ============= START OF LOAD BALANCING ============== 6641.13 LDB: ============== END OF LOAD BALANCING =============== 6641.13 LDB: =============== DONE WITH MIGRATION ================ 6641.13 LDB: ============= START OF LOAD BALANCING ============== 6641.52 LDB: ============== END OF LOAD BALANCING =============== 6641.52 LDB: =============== DONE WITH MIGRATION ================ 6641.52 PRESSURE: 1660400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1660400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1660400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1660400 0 0 0 0 0 0 0 0 0 TIMING: 1660400 CPU: 6638.96, 0.00395635/step Wall: 6638.96, 0.00395635/step, 0.922709 hours remaining, 114.394531 MB of memory in use. ENERGY: 1660400 633.9086 1856.3946 1961.7825 112.7425 0.4330 -1108.6670 0.0000 0.0000 2707.6515 6164.2456 299.0676 3456.5942 6197.4709 299.2250 PRESSURE: 1660600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1660600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1660600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1660600 0 0 0 0 0 0 0 0 0 TIMING: 1660600 CPU: 6639.75, 0.00394868/step Wall: 6639.75, 0.00394868/step, 0.920702 hours remaining, 114.394531 MB of memory in use. ENERGY: 1660600 652.6673 1901.0581 1976.2391 101.7906 0.9895 -1189.8374 0.0000 0.0000 2694.7152 6137.6224 297.6388 3442.9072 6170.3646 298.0726 PRESSURE: 1660800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1660800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1660800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1660800 0 0 0 0 0 0 0 0 0 TIMING: 1660800 CPU: 6640.54, 0.00395326/step Wall: 6640.54, 0.00395326/step, 0.92155 hours remaining, 114.394531 MB of memory in use. ENERGY: 1660800 680.9017 1874.4032 1961.2070 110.8961 -0.2752 -1108.6648 0.0000 0.0000 2658.9653 6177.4334 293.6901 3518.4681 6206.5059 298.2095 PRESSURE: 1661000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1661000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1661000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1661000 0 0 0 0 0 0 0 0 0 TIMING: 1661000 CPU: 6641.33, 0.00395234/step Wall: 6641.33, 0.00395234/step, 0.921114 hours remaining, 114.394531 MB of memory in use. ENERGY: 1661000 650.0646 1858.7570 1972.1610 106.5462 0.5318 -1117.0189 0.0000 0.0000 2683.7017 6154.7434 296.4223 3471.0417 6186.2243 298.3736 PRESSURE: 1661200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1661200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1661200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1661200 0 0 0 0 0 0 0 0 0 TIMING: 1661200 CPU: 6642.12, 0.00395215/step Wall: 6642.12, 0.00395216/step, 0.920853 hours remaining, 114.394531 MB of memory in use. ENERGY: 1661200 631.2580 1874.1658 1959.0211 115.3124 1.3887 -1115.3975 0.0000 0.0000 2702.6760 6168.4244 298.5181 3465.7485 6202.5021 298.4132 PRESSURE: 1661400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1661400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1661400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1661400 0 0 0 0 0 0 0 0 0 TIMING: 1661400 CPU: 6642.91, 0.0039498/step Wall: 6642.91, 0.0039498/step, 0.920083 hours remaining, 114.394531 MB of memory in use. ENERGY: 1661400 677.1466 1840.9948 1961.0347 106.4828 1.4405 -1088.3081 0.0000 0.0000 2717.5479 6216.3393 300.1607 3498.7914 6249.4346 301.0765 PRESSURE: 1661600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1661600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1661600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1661600 0 0 0 0 0 0 0 0 0 TIMING: 1661600 CPU: 6643.7, 0.00394912/step Wall: 6643.7, 0.00394912/step, 0.919706 hours remaining, 114.394531 MB of memory in use. ENERGY: 1661600 656.7139 1833.2696 1967.3309 96.7486 0.5544 -1074.2481 0.0000 0.0000 2749.7748 6230.1440 303.7203 3480.3692 6265.9389 302.5548 PRESSURE: 1661800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1661800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1661800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1661800 0 0 0 0 0 0 0 0 0 TIMING: 1661800 CPU: 6644.49, 0.00395856/step Wall: 6644.49, 0.00395856/step, 0.921684 hours remaining, 114.394531 MB of memory in use. ENERGY: 1661800 672.9989 1836.4999 1957.8291 111.2904 1.4013 -1090.4397 0.0000 0.0000 2712.2563 6201.8362 299.5763 3489.5799 6237.5401 300.2165 PRESSURE: 1662000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1662000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1662000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1662000 0 0 0 0 0 0 0 0 0 TIMING: 1662000 CPU: 6645.28, 0.00395582/step Wall: 6645.28, 0.00395582/step, 0.920827 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1662000 643.9255 1813.2912 1955.8520 114.8253 1.1111 -1091.0620 0.0000 0.0000 2713.2859 6151.2290 299.6900 3437.9430 6186.1488 298.1713 PRESSURE: 1662200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1662200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1662200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1662200 0 0 0 0 0 0 0 0 0 TIMING: 1662200 CPU: 6646.07, 0.00395462/step Wall: 6646.07, 0.00395462/step, 0.920328 hours remaining, 114.394531 MB of memory in use. ENERGY: 1662200 658.5978 1792.1077 1975.4608 104.7999 2.0377 -1086.0252 0.0000 0.0000 2681.5341 6128.5129 296.1829 3446.9787 6160.5543 294.4120 PRESSURE: 1662400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1662400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1662400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1662400 0 0 0 0 0 0 0 0 0 TIMING: 1662400 CPU: 6646.87, 0.00395328/step Wall: 6646.87, 0.00395328/step, 0.919797 hours remaining, 114.394531 MB of memory in use. ENERGY: 1662400 646.7698 1838.6462 1955.2100 100.5056 1.4892 -1091.6838 0.0000 0.0000 2662.2893 6113.2262 294.0573 3450.9369 6146.3996 294.6112 PRESSURE: 1662600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1662600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1662600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1662600 0 0 0 0 0 0 0 0 0 TIMING: 1662600 CPU: 6647.66, 0.00394889/step Wall: 6647.66, 0.00394889/step, 0.918557 hours remaining, 114.394531 MB of memory in use. ENERGY: 1662600 636.7346 1827.3604 1977.0967 108.7275 0.9578 -1089.8687 0.0000 0.0000 2684.0391 6145.0474 296.4596 3461.0083 6177.5670 295.1441 PRESSURE: 1662800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1662800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1662800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1662800 0 0 0 0 0 0 0 0 0 TIMING: 1662800 CPU: 6648.45, 0.00395169/step Wall: 6648.45, 0.00395169/step, 0.918988 hours remaining, 114.394531 MB of memory in use. ENERGY: 1662800 669.6224 1823.8631 1966.8406 96.2664 0.2151 -1045.9822 0.0000 0.0000 2710.7692 6221.5947 299.4120 3510.8254 6254.5294 298.0281 PRESSURE: 1663000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1663000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1663000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1663000 0 0 0 0 0 0 0 0 0 TIMING: 1663000 CPU: 6649.24, 0.00395167/step Wall: 6649.24, 0.00395167/step, 0.918764 hours remaining, 114.394531 MB of memory in use. ENERGY: 1663000 649.4008 1792.0742 1992.0017 113.0546 -0.2006 -1048.1443 0.0000 0.0000 2739.9261 6238.1125 302.6325 3498.1864 6272.8575 299.2151 PRESSURE: 1663200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1663200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1663200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1663200 0 0 0 0 0 0 0 0 0 TIMING: 1663200 CPU: 6650.03, 0.00395196/step Wall: 6650.03, 0.00395196/step, 0.918611 hours remaining, 114.394531 MB of memory in use. ENERGY: 1663200 615.5139 1801.7324 1981.6578 104.4930 0.7113 -1045.4318 0.0000 0.0000 2750.6881 6209.3647 303.8212 3458.6766 6245.1759 300.3032 PRESSURE: 1663400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1663400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1663400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1663400 0 0 0 0 0 0 0 0 0 TIMING: 1663400 CPU: 6651.54, 0.00758751/step Wall: 6651.54, 0.0075875/step, 1.76325 hours remaining, 114.394531 MB of memory in use. ENERGY: 1663400 684.7235 1823.0613 1940.2698 108.4088 0.7371 -1083.0787 0.0000 0.0000 2776.1499 6250.2717 306.6335 3474.1217 6283.0696 301.5636 PRESSURE: 1663600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1663600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1663600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1663600 0 0 0 0 0 0 0 0 0 TIMING: 1663600 CPU: 6652.34, 0.00397537/step Wall: 6652.34, 0.00397537/step, 0.923612 hours remaining, 114.394531 MB of memory in use. ENERGY: 1663600 637.4712 1881.1512 1950.1105 109.6054 0.2855 -1116.7597 0.0000 0.0000 2751.8741 6213.7381 303.9522 3461.8640 6251.6781 300.8893 PRESSURE: 1663800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1663800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1663800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1663800 0 0 0 0 0 0 0 0 0 TIMING: 1663800 CPU: 6653.13, 0.00395181/step Wall: 6653.13, 0.00395181/step, 0.917918 hours remaining, 114.394531 MB of memory in use. ENERGY: 1663800 674.4811 1856.3657 1923.0245 100.0088 0.6201 -1102.9571 0.0000 0.0000 2751.5928 6203.1359 303.9211 3451.5432 6239.5548 299.2667 PRESSURE: 1664000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1664000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1664000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1664000 0 0 0 0 0 0 0 0 0 TIMING: 1664000 CPU: 6653.92, 0.00394912/step Wall: 6653.92, 0.00394912/step, 0.917072 hours remaining, 114.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1664000 681.1825 1811.6807 1958.5803 107.1570 0.1003 -1102.1498 0.0000 0.0000 2722.7467 6179.2978 300.7350 3456.5511 6212.0848 299.5199 PRESSURE: 1664200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1664200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1664200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1664200 0 0 0 0 0 0 0 0 0 TIMING: 1664200 CPU: 6654.71, 0.00394616/step Wall: 6654.71, 0.00394616/step, 0.916168 hours remaining, 114.394531 MB of memory in use. ENERGY: 1664200 658.6751 1880.2937 1977.5833 106.7040 0.3835 -1098.6087 0.0000 0.0000 2723.2410 6248.2719 300.7896 3525.0309 6280.9118 300.4545 LDB: ============= START OF LOAD BALANCING ============== 6657.67 LDB: ============== END OF LOAD BALANCING =============== 6657.67 LDB: =============== DONE WITH MIGRATION ================ 6657.67 LDB: ============= START OF LOAD BALANCING ============== 6658.06 LDB: ============== END OF LOAD BALANCING =============== 6658.06 LDB: =============== DONE WITH MIGRATION ================ 6658.06 PRESSURE: 1664400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1664400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1664400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1664400 0 0 0 0 0 0 0 0 0 TIMING: 1664400 CPU: 6655.5, 0.00395677/step Wall: 6655.5, 0.00395677/step, 0.918411 hours remaining, 114.394531 MB of memory in use. ENERGY: 1664400 656.8975 1824.0127 1977.0740 114.1885 0.0647 -1116.8247 0.0000 0.0000 2762.2562 6217.6690 305.0989 3455.4128 6250.7623 302.1472 PRESSURE: 1664600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1664600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1664600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1664600 0 0 0 0 0 0 0 0 0 TIMING: 1664600 CPU: 6656.29, 0.00395163/step Wall: 6656.29, 0.00395163/step, 0.916998 hours remaining, 114.394531 MB of memory in use. ENERGY: 1664600 661.5462 1872.4174 1983.8955 106.4040 1.5955 -1084.3415 0.0000 0.0000 2718.6056 6260.1226 300.2776 3541.5171 6292.2339 300.5599 PRESSURE: 1664800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1664800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1664800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1664800 0 0 0 0 0 0 0 0 0 TIMING: 1664800 CPU: 6657.08, 0.00395281/step Wall: 6657.08, 0.00395281/step, 0.917053 hours remaining, 114.417969 MB of memory in use. ENERGY: 1664800 648.3560 1858.5266 1986.4620 109.2856 1.4720 -1082.4726 0.0000 0.0000 2716.9647 6238.5942 300.0963 3521.6296 6271.5492 301.3167 PRESSURE: 1665000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1665000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1665000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1665000 0 0 0 0 0 0 0 0 0 TIMING: 1665000 CPU: 6657.87, 0.00395125/step Wall: 6657.87, 0.00395125/step, 0.916469 hours remaining, 114.417969 MB of memory in use. ENERGY: 1665000 629.5298 1820.1704 1988.1173 106.7315 -0.0204 -1069.3664 0.0000 0.0000 2695.2818 6170.4440 297.7014 3475.1622 6202.9441 301.2736 PRESSURE: 1665200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1665200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1665200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1665200 0 0 0 0 0 0 0 0 0 TIMING: 1665200 CPU: 6658.66, 0.00394837/step Wall: 6658.66, 0.00394837/step, 0.915583 hours remaining, 114.417969 MB of memory in use. ENERGY: 1665200 646.4594 1855.1815 1946.3081 93.5140 0.5972 -1085.7842 0.0000 0.0000 2749.9774 6206.2534 303.7427 3456.2759 6239.5432 298.4882 PRESSURE: 1665400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1665400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1665400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1665400 0 0 0 0 0 0 0 0 0 TIMING: 1665400 CPU: 6659.45, 0.00395885/step Wall: 6659.45, 0.00395885/step, 0.917794 hours remaining, 114.417969 MB of memory in use. ENERGY: 1665400 684.5518 1848.9835 1954.5002 108.8676 0.9228 -1095.2158 0.0000 0.0000 2719.7043 6222.3144 300.3989 3502.6101 6255.5944 301.0047 PRESSURE: 1665600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1665600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1665600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1665600 0 0 0 0 0 0 0 0 0 TIMING: 1665600 CPU: 6660.24, 0.00395129/step Wall: 6660.24, 0.00395129/step, 0.915821 hours remaining, 114.421875 MB of memory in use. ENERGY: 1665600 694.5010 1834.7800 1999.9806 99.7611 -1.3043 -1087.6438 0.0000 0.0000 2702.0923 6242.1669 298.4536 3540.0746 6278.1255 301.2511 PRESSURE: 1665800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1665800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1665800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1665800 0 0 0 0 0 0 0 0 0 TIMING: 1665800 CPU: 6661.03, 0.0039505/step Wall: 6661.03, 0.0039505/step, 0.915419 hours remaining, 114.421875 MB of memory in use. ENERGY: 1665800 644.0219 1878.2807 1987.0067 89.0048 -0.9026 -1106.8884 0.0000 0.0000 2716.6575 6207.1808 300.0624 3490.5232 6240.1726 301.1694 PRESSURE: 1666000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1666000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1666000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1666000 0 0 0 0 0 0 0 0 0 TIMING: 1666000 CPU: 6661.82, 0.00394446/step Wall: 6661.82, 0.00394446/step, 0.9138 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1666000 704.4083 1805.8092 1970.2384 104.6013 -0.7208 -1099.1843 0.0000 0.0000 2735.6824 6220.8347 302.1637 3485.1522 6254.4952 300.6842 PRESSURE: 1666200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1666200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1666200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1666200 0 0 0 0 0 0 0 0 0 TIMING: 1666200 CPU: 6662.61, 0.00394998/step Wall: 6662.61, 0.00394998/step, 0.91486 hours remaining, 114.421875 MB of memory in use. ENERGY: 1666200 631.5574 1881.9590 1968.4583 106.8267 -1.3542 -1100.3336 0.0000 0.0000 2741.4663 6228.5798 302.8026 3487.1135 6263.4576 300.7355 PRESSURE: 1666400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1666400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1666400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1666400 0 0 0 0 0 0 0 0 0 TIMING: 1666400 CPU: 6663.4, 0.00395141/step Wall: 6663.4, 0.00395141/step, 0.914971 hours remaining, 114.421875 MB of memory in use. ENERGY: 1666400 634.7865 1846.8247 1964.7418 109.0433 0.1544 -1074.5111 0.0000 0.0000 2724.2263 6205.2658 300.8984 3481.0395 6238.2931 301.1952 PRESSURE: 1666600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1666600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1666600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1666600 0 0 0 0 0 0 0 0 0 TIMING: 1666600 CPU: 6664.19, 0.00395092/step Wall: 6664.19, 0.00395092/step, 0.914639 hours remaining, 114.421875 MB of memory in use. ENERGY: 1666600 632.1524 1890.4216 1944.6791 95.7712 1.8037 -1096.0964 0.0000 0.0000 2745.5968 6214.3283 303.2588 3468.7316 6248.2725 300.6727 PRESSURE: 1666800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1666800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1666800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1666800 0 0 0 0 0 0 0 0 0 TIMING: 1666800 CPU: 6664.98, 0.00394765/step Wall: 6664.98, 0.00394765/step, 0.913661 hours remaining, 114.421875 MB of memory in use. ENERGY: 1666800 674.4652 1864.1529 1945.2967 105.3362 1.4622 -1116.3040 0.0000 0.0000 2723.8361 6198.2452 300.8553 3474.4092 6232.7846 298.7759 PRESSURE: 1667000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1667000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1667000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1667000 0 0 0 0 0 0 0 0 0 TIMING: 1667000 CPU: 6665.77, 0.00394495/step Wall: 6665.77, 0.00394495/step, 0.912818 hours remaining, 114.421875 MB of memory in use. ENERGY: 1667000 657.2389 1862.6118 1973.9865 123.3293 0.7544 -1116.6629 0.0000 0.0000 2756.9124 6258.1704 304.5086 3501.2580 6291.9632 302.3041 PRESSURE: 1667200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1667200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1667200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1667200 0 0 0 0 0 0 0 0 0 TIMING: 1667200 CPU: 6666.56, 0.00394873/step Wall: 6666.56, 0.00394873/step, 0.913472 hours remaining, 114.421875 MB of memory in use. ENERGY: 1667200 648.3934 1841.8515 1954.0563 116.5190 2.0437 -1065.1767 0.0000 0.0000 2717.5192 6215.2065 300.1576 3497.6872 6247.2216 300.8879 PRESSURE: 1667400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1667400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1667400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1667400 0 0 0 0 0 0 0 0 0 TIMING: 1667400 CPU: 6667.35, 0.00394985/step Wall: 6667.35, 0.00394985/step, 0.913512 hours remaining, 114.421875 MB of memory in use. ENERGY: 1667400 641.6359 1931.1904 1979.6260 105.4322 1.3184 -1056.7284 0.0000 0.0000 2651.3098 6253.7844 292.8446 3602.4745 6281.2462 302.0280 PRESSURE: 1667600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1667600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1667600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1667600 0 0 0 0 0 0 0 0 0 TIMING: 1667600 CPU: 6668.14, 0.00394897/step Wall: 6668.14, 0.00394897/step, 0.91309 hours remaining, 114.421875 MB of memory in use. ENERGY: 1667600 712.7427 1837.1219 1960.8034 109.4122 1.3805 -1063.3101 0.0000 0.0000 2704.2347 6262.3854 298.6903 3558.1507 6293.3666 301.9237 PRESSURE: 1667800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1667800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1667800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1667800 0 0 0 0 0 0 0 0 0 TIMING: 1667800 CPU: 6668.93, 0.00394849/step Wall: 6668.93, 0.00394849/step, 0.912759 hours remaining, 114.421875 MB of memory in use. ENERGY: 1667800 651.4925 1851.9185 1971.1114 114.0596 0.7449 -1115.8421 0.0000 0.0000 2784.9186 6258.4034 307.6020 3473.4848 6293.9201 302.3527 PRESSURE: 1668000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1668000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1668000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1668000 0 0 0 0 0 0 0 0 0 TIMING: 1668000 CPU: 6669.72, 0.00394508/step Wall: 6669.72, 0.00394508/step, 0.911751 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1668000 673.9775 1884.8739 1990.5349 111.6412 1.7542 -1119.1714 0.0000 0.0000 2743.4203 6287.0307 303.0184 3543.6104 6320.0160 304.1897 PRESSURE: 1668200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1668200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1668200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1668200 0 0 0 0 0 0 0 0 0 TIMING: 1668200 CPU: 6670.51, 0.00394943/step Wall: 6670.51, 0.00394943/step, 0.912539 hours remaining, 114.421875 MB of memory in use. ENERGY: 1668200 682.7186 1913.6994 1937.5426 112.4515 1.9981 -1064.5000 0.0000 0.0000 2803.8357 6387.7459 309.6915 3583.9102 6419.1353 307.5567 LDB: ============= START OF LOAD BALANCING ============== 6673.47 LDB: ============== END OF LOAD BALANCING =============== 6673.47 LDB: =============== DONE WITH MIGRATION ================ 6673.47 LDB: ============= START OF LOAD BALANCING ============== 6673.86 LDB: ============== END OF LOAD BALANCING =============== 6673.86 LDB: =============== DONE WITH MIGRATION ================ 6673.86 PRESSURE: 1668400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1668400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1668400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1668400 0 0 0 0 0 0 0 0 0 TIMING: 1668400 CPU: 6671.3, 0.003957/step Wall: 6671.3, 0.003957/step, 0.914066 hours remaining, 114.421875 MB of memory in use. ENERGY: 1668400 717.8302 1862.3261 1987.7286 119.1125 1.0596 -1089.5299 0.0000 0.0000 2749.5922 6348.1193 303.7001 3598.5270 6380.5170 308.5876 PRESSURE: 1668600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1668600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1668600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1668600 0 0 0 0 0 0 0 0 0 TIMING: 1668600 CPU: 6672.09, 0.00394993/step Wall: 6672.09, 0.00394993/step, 0.912213 hours remaining, 114.421875 MB of memory in use. ENERGY: 1668600 668.1515 1873.8332 2002.3580 108.4660 1.4393 -1058.1356 0.0000 0.0000 2783.3974 6379.5098 307.4340 3596.1124 6413.0336 307.8655 PRESSURE: 1668800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1668800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1668800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1668800 0 0 0 0 0 0 0 0 0 TIMING: 1668800 CPU: 6672.88, 0.00395126/step Wall: 6672.88, 0.00395126/step, 0.912302 hours remaining, 114.421875 MB of memory in use. ENERGY: 1668800 678.3459 1844.2892 1996.4243 114.0908 0.2049 -1106.3690 0.0000 0.0000 2824.4971 6351.4832 311.9736 3526.9861 6386.9653 308.4597 PRESSURE: 1669000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1669000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1669000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1669000 0 0 0 0 0 0 0 0 0 TIMING: 1669000 CPU: 6673.67, 0.00394614/step Wall: 6673.67, 0.00394613/step, 0.910898 hours remaining, 114.421875 MB of memory in use. ENERGY: 1669000 662.1304 1857.3958 1991.8659 96.3688 -0.6858 -1076.8571 0.0000 0.0000 2734.4606 6264.6787 302.0288 3530.2181 6301.1779 303.7774 PRESSURE: 1669200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1669200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1669200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1669200 0 0 0 0 0 0 0 0 0 TIMING: 1669200 CPU: 6674.46, 0.00395003/step Wall: 6674.46, 0.00395004/step, 0.911581 hours remaining, 114.421875 MB of memory in use. ENERGY: 1669200 664.4883 1828.2164 1985.8572 104.0124 1.1011 -1074.6195 0.0000 0.0000 2718.4046 6227.4605 300.2554 3509.0559 6261.9587 302.2706 PRESSURE: 1669400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1669400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1669400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1669400 0 0 0 0 0 0 0 0 0 TIMING: 1669400 CPU: 6675.25, 0.0039486/step Wall: 6675.25, 0.0039486/step, 0.91103 hours remaining, 114.421875 MB of memory in use. ENERGY: 1669400 649.2057 1824.8905 1960.7322 111.0592 0.8394 -1081.2256 0.0000 0.0000 2738.9796 6204.4809 302.5279 3465.5014 6236.7100 299.6441 PRESSURE: 1669600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1669600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1669600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1669600 0 0 0 0 0 0 0 0 0 TIMING: 1669600 CPU: 6676.04, 0.00394946/step Wall: 6676.04, 0.00394946/step, 0.911009 hours remaining, 114.421875 MB of memory in use. ENERGY: 1669600 636.7643 1824.8209 1965.8871 103.4954 -0.4175 -1090.5494 0.0000 0.0000 2734.5190 6174.5200 302.0352 3440.0010 6210.3065 299.2352 PRESSURE: 1669800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1669800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1669800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1669800 0 0 0 0 0 0 0 0 0 TIMING: 1669800 CPU: 6676.83, 0.00394659/step Wall: 6676.83, 0.00394659/step, 0.910128 hours remaining, 114.421875 MB of memory in use. ENERGY: 1669800 655.0162 1875.0595 1964.5147 105.9859 1.9725 -1094.5998 0.0000 0.0000 2683.8411 6191.7900 296.4377 3507.9489 6222.9542 298.5877 PRESSURE: 1670000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1670000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1670000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1670000 0 0 0 0 0 0 0 0 0 TIMING: 1670000 CPU: 6677.62, 0.00394964/step Wall: 6677.62, 0.00394964/step, 0.910612 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1670000 665.1678 1847.4138 1958.9093 111.1792 0.4217 -1111.0848 0.0000 0.0000 2720.7127 6192.7197 300.5103 3472.0070 6227.7771 299.3014 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1670000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1670000 WRITING COORDINATES TO RESTART FILE AT STEP 1670000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1670000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1670200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1670200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1670200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1670200 0 0 0 0 0 0 0 0 0 TIMING: 1670200 CPU: 6678.47, 0.0042673/step Wall: 6678.47, 0.0042673/step, 0.983612 hours remaining, 114.421875 MB of memory in use. ENERGY: 1670200 688.9420 1814.0122 1955.4532 111.2755 2.1057 -1101.4553 0.0000 0.0000 2711.6721 6182.0055 299.5117 3470.3334 6216.4045 300.0850 PRESSURE: 1670400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1670400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1670400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1670400 0 0 0 0 0 0 0 0 0 TIMING: 1670400 CPU: 6679.26, 0.0039501/step Wall: 6679.26, 0.0039501/step, 0.910279 hours remaining, 114.421875 MB of memory in use. ENERGY: 1670400 671.5321 1796.1052 1972.6128 106.4372 1.3587 -1108.4601 0.0000 0.0000 2758.0462 6197.6322 304.6339 3439.5860 6230.4237 300.3210 PRESSURE: 1670600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1670600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1670600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1670600 0 0 0 0 0 0 0 0 0 TIMING: 1670600 CPU: 6680.05, 0.00395082/step Wall: 6680.05, 0.00395082/step, 0.910226 hours remaining, 114.421875 MB of memory in use. ENERGY: 1670600 680.0680 1873.1590 1973.5070 104.3906 0.8455 -1070.5329 0.0000 0.0000 2619.0797 6180.5169 289.2846 3561.4372 6209.8145 298.4401 PRESSURE: 1670800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1670800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1670800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1670800 0 0 0 0 0 0 0 0 0 TIMING: 1670800 CPU: 6680.84, 0.0039455/step Wall: 6680.84, 0.0039455/step, 0.908781 hours remaining, 114.421875 MB of memory in use. ENERGY: 1670800 685.4350 1852.2378 1945.2689 107.4205 0.5322 -1130.3319 0.0000 0.0000 2748.8699 6209.4324 303.6203 3460.5625 6242.0487 298.2582 PRESSURE: 1671000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1671000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1671000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1671000 0 0 0 0 0 0 0 0 0 TIMING: 1671000 CPU: 6681.63, 0.00395195/step Wall: 6681.63, 0.00395195/step, 0.910046 hours remaining, 114.421875 MB of memory in use. ENERGY: 1671000 633.7567 1841.8446 1942.8202 112.2008 -0.6043 -1123.0932 0.0000 0.0000 2730.3177 6137.2425 301.5712 3406.9248 6171.4110 299.3684 PRESSURE: 1671200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1671200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1671200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1671200 0 0 0 0 0 0 0 0 0 TIMING: 1671200 CPU: 6682.42, 0.00395139/step Wall: 6682.42, 0.00395139/step, 0.909697 hours remaining, 114.421875 MB of memory in use. ENERGY: 1671200 626.6637 1821.2718 1993.1226 116.7547 0.2664 -1134.9959 0.0000 0.0000 2659.0744 6082.1577 293.7022 3423.0833 6113.0686 293.9837 PRESSURE: 1671400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1671400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1671400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1671400 0 0 0 0 0 0 0 0 0 TIMING: 1671400 CPU: 6683.21, 0.00395106/step Wall: 6683.21, 0.00395106/step, 0.909401 hours remaining, 114.421875 MB of memory in use. ENERGY: 1671400 623.7095 1799.3296 1961.0669 105.1982 0.2846 -1142.5421 0.0000 0.0000 2750.2621 6097.3089 303.7741 3347.0467 6133.2410 294.2543 PRESSURE: 1671600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1671600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1671600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1671600 0 0 0 0 0 0 0 0 0 TIMING: 1671600 CPU: 6684, 0.00394902/step Wall: 6684, 0.00394902/step, 0.908713 hours remaining, 114.421875 MB of memory in use. ENERGY: 1671600 672.0133 1852.8841 1985.7737 118.2030 1.4013 -1145.1893 0.0000 0.0000 2631.0489 6116.1350 290.6067 3485.0861 6147.0517 295.5618 PRESSURE: 1671800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1671800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1671800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1671800 0 0 0 0 0 0 0 0 0 TIMING: 1671800 CPU: 6684.79, 0.00394545/step Wall: 6684.79, 0.00394545/step, 0.907673 hours remaining, 114.421875 MB of memory in use. ENERGY: 1671800 699.5419 1812.0826 1934.5467 108.4357 1.0161 -1145.4357 0.0000 0.0000 2642.5197 6052.7070 291.8737 3410.1872 6085.5024 294.9583 PRESSURE: 1672000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1672000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1672000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1672000 0 0 0 0 0 0 0 0 0 TIMING: 1672000 CPU: 6685.58, 0.00394951/step Wall: 6685.58, 0.00394951/step, 0.908387 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1672000 627.9761 1835.3807 1958.6059 105.3655 0.9501 -1106.4750 0.0000 0.0000 2683.4191 6105.2225 296.3911 3421.8033 6141.2411 295.1083 PRESSURE: 1672200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1672200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1672200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1672200 0 0 0 0 0 0 0 0 0 TIMING: 1672200 CPU: 6686.37, 0.00395061/step Wall: 6686.37, 0.00395061/step, 0.90842 hours remaining, 114.421875 MB of memory in use. ENERGY: 1672200 656.2997 1846.9799 1964.2626 103.1321 -0.4615 -1139.2956 0.0000 0.0000 2651.4056 6082.3230 292.8551 3430.9173 6115.4638 294.8169 LDB: ============= START OF LOAD BALANCING ============== 6689.33 LDB: ============== END OF LOAD BALANCING =============== 6689.33 LDB: =============== DONE WITH MIGRATION ================ 6689.33 LDB: ============= START OF LOAD BALANCING ============== 6689.73 LDB: ============== END OF LOAD BALANCING =============== 6689.73 LDB: =============== DONE WITH MIGRATION ================ 6689.73 PRESSURE: 1672400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1672400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1672400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1672400 0 0 0 0 0 0 0 0 0 TIMING: 1672400 CPU: 6687.16, 0.00395622/step Wall: 6687.16, 0.00395622/step, 0.909491 hours remaining, 114.421875 MB of memory in use. ENERGY: 1672400 649.3233 1823.9476 1942.8470 90.5588 2.9719 -1107.2161 0.0000 0.0000 2667.7877 6070.2201 294.6646 3402.4324 6102.8478 293.2644 PRESSURE: 1672600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1672600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1672600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1672600 0 0 0 0 0 0 0 0 0 TIMING: 1672600 CPU: 6687.95, 0.00395016/step Wall: 6687.95, 0.00395016/step, 0.907878 hours remaining, 114.421875 MB of memory in use. ENERGY: 1672600 647.8295 1853.9728 1978.0689 105.9685 0.8665 -1117.2797 0.0000 0.0000 2670.9603 6140.3868 295.0150 3469.4265 6172.1844 295.0972 PRESSURE: 1672800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1672800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1672800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1672800 0 0 0 0 0 0 0 0 0 TIMING: 1672800 CPU: 6688.74, 0.00394535/step Wall: 6688.74, 0.00394535/step, 0.906554 hours remaining, 114.421875 MB of memory in use. ENERGY: 1672800 676.6282 1838.2468 1952.7796 103.8264 0.9792 -1060.6275 0.0000 0.0000 2665.9550 6177.7877 294.4622 3511.8327 6208.5854 297.9121 PRESSURE: 1673000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1673000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1673000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1673000 0 0 0 0 0 0 0 0 0 TIMING: 1673000 CPU: 6689.53, 0.00394932/step Wall: 6689.53, 0.00394932/step, 0.907247 hours remaining, 114.421875 MB of memory in use. ENERGY: 1673000 673.2548 1852.3744 1975.0818 105.7690 -0.1527 -1075.6005 0.0000 0.0000 2664.8258 6195.5525 294.3374 3530.7267 6228.4320 299.6653 PRESSURE: 1673200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1673200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1673200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1673200 0 0 0 0 0 0 0 0 0 TIMING: 1673200 CPU: 6690.32, 0.0039503/step Wall: 6690.32, 0.0039503/step, 0.907253 hours remaining, 114.421875 MB of memory in use. ENERGY: 1673200 663.9629 1840.3021 1964.7944 130.5431 1.1778 -1111.4425 0.0000 0.0000 2726.1037 6215.4415 301.1057 3489.3378 6249.8448 300.0446 PRESSURE: 1673400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1673400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1673400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1673400 0 0 0 0 0 0 0 0 0 TIMING: 1673400 CPU: 6691.11, 0.0039512/step Wall: 6691.11, 0.0039512/step, 0.907238 hours remaining, 114.421875 MB of memory in use. ENERGY: 1673400 650.3480 1856.9186 1973.7439 109.9383 0.4210 -1104.1282 0.0000 0.0000 2718.7213 6205.9629 300.2903 3487.2416 6238.0009 300.5938 PRESSURE: 1673600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1673600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1673600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1673600 0 0 0 0 0 0 0 0 0 TIMING: 1673600 CPU: 6691.9, 0.00394927/step Wall: 6691.9, 0.00394927/step, 0.906577 hours remaining, 114.421875 MB of memory in use. ENERGY: 1673600 635.4039 1889.4967 1983.4876 107.8477 0.3668 -1093.1561 0.0000 0.0000 2723.4022 6246.8489 300.8074 3523.4467 6278.6615 300.6708 PRESSURE: 1673800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1673800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1673800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1673800 0 0 0 0 0 0 0 0 0 TIMING: 1673800 CPU: 6692.69, 0.00394584/step Wall: 6692.69, 0.00394584/step, 0.905571 hours remaining, 114.421875 MB of memory in use. ENERGY: 1673800 630.1176 1897.1764 1970.4645 107.2765 1.1903 -1071.1677 0.0000 0.0000 2775.1669 6310.2244 306.5249 3535.0575 6342.6629 303.8383 PRESSURE: 1674000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1674000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1674000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1674000 0 0 0 0 0 0 0 0 0 TIMING: 1674000 CPU: 6693.48, 0.00395058/step Wall: 6693.48, 0.00395058/step, 0.906439 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1674000 637.6192 1880.3196 1983.8480 109.6751 0.5669 -1102.7614 0.0000 0.0000 2771.1996 6280.4670 306.0867 3509.2674 6312.1485 303.4152 PRESSURE: 1674200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1674200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1674200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1674200 0 0 0 0 0 0 0 0 0 TIMING: 1674200 CPU: 6694.27, 0.00394807/step Wall: 6694.27, 0.00394807/step, 0.905643 hours remaining, 114.421875 MB of memory in use. ENERGY: 1674200 649.8544 1853.3716 1990.2224 108.5978 0.2786 -1109.7749 0.0000 0.0000 2782.3813 6274.9312 307.3218 3492.5499 6311.1947 304.3131 PRESSURE: 1674400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1674400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1674400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1674400 0 0 0 0 0 0 0 0 0 TIMING: 1674400 CPU: 6695.06, 0.00394981/step Wall: 6695.06, 0.00394981/step, 0.905822 hours remaining, 114.421875 MB of memory in use. ENERGY: 1674400 633.1384 1854.8612 1979.4589 115.7851 -0.2401 -1070.6124 0.0000 0.0000 2755.9676 6268.3587 304.4043 3512.3910 6301.8934 303.9757 PRESSURE: 1674600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1674600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1674600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1674600 0 0 0 0 0 0 0 0 0 TIMING: 1674600 CPU: 6695.85, 0.003944/step Wall: 6695.85, 0.003944/step, 0.904273 hours remaining, 114.421875 MB of memory in use. ENERGY: 1674600 649.6937 1903.5524 1940.1896 105.5600 0.4888 -1125.5771 0.0000 0.0000 2756.0936 6230.0009 304.4182 3473.9073 6264.8776 302.4235 PRESSURE: 1674800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1674800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1674800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1674800 0 0 0 0 0 0 0 0 0 TIMING: 1674800 CPU: 6696.64, 0.00394737/step Wall: 6696.64, 0.00394737/step, 0.904825 hours remaining, 114.421875 MB of memory in use. ENERGY: 1674800 677.0225 1872.8438 1960.1364 109.0816 0.6611 -1088.3207 0.0000 0.0000 2767.7438 6299.1683 305.7050 3531.4245 6335.8938 303.1877 PRESSURE: 1675000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1675000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1675000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1675000 0 0 0 0 0 0 0 0 0 TIMING: 1675000 CPU: 6697.43, 0.00394729/step Wall: 6697.43, 0.00394729/step, 0.904588 hours remaining, 114.421875 MB of memory in use. ENERGY: 1675000 635.9082 1863.5455 1977.4336 105.4947 0.9240 -1061.3363 0.0000 0.0000 2707.3823 6229.3519 299.0379 3521.9696 6259.9212 303.9129 PRESSURE: 1675200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1675200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1675200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1675200 0 0 0 0 0 0 0 0 0 TIMING: 1675200 CPU: 6698.22, 0.00394819/step Wall: 6698.22, 0.00394819/step, 0.904573 hours remaining, 114.421875 MB of memory in use. ENERGY: 1675200 648.8047 1811.8647 1948.7850 114.4119 0.1456 -1101.2966 0.0000 0.0000 2786.9755 6209.6907 307.8292 3422.7152 6246.5919 302.0784 PRESSURE: 1675400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1675400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1675400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1675400 0 0 0 0 0 0 0 0 0 TIMING: 1675400 CPU: 6699.01, 0.00395205/step Wall: 6699.01, 0.00395205/step, 0.905239 hours remaining, 114.421875 MB of memory in use. ENERGY: 1675400 665.5453 1857.2232 1981.5694 98.5622 -0.1923 -1105.5791 0.0000 0.0000 2730.1081 6227.2368 301.5480 3497.1288 6259.0568 300.5836 PRESSURE: 1675600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1675600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1675600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1675600 0 0 0 0 0 0 0 0 0 TIMING: 1675600 CPU: 6699.8, 0.0039467/step Wall: 6699.8, 0.0039467/step, 0.903793 hours remaining, 114.421875 MB of memory in use. ENERGY: 1675600 638.1680 1843.2813 1949.2641 118.9918 1.5619 -1074.3460 0.0000 0.0000 2740.8088 6217.7300 302.7300 3476.9211 6254.4886 302.1489 PRESSURE: 1675800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1675800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1675800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1675800 0 0 0 0 0 0 0 0 0 TIMING: 1675800 CPU: 6700.59, 0.00395002/step Wall: 6700.59, 0.00395002/step, 0.904335 hours remaining, 114.421875 MB of memory in use. ENERGY: 1675800 639.1206 1866.8043 1963.7066 115.9422 1.1480 -1123.9745 0.0000 0.0000 2709.2087 6171.9557 299.2396 3462.7471 6205.5995 300.1851 PRESSURE: 1676000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1676000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1676000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1676000 0 0 0 0 0 0 0 0 0 TIMING: 1676000 CPU: 6701.38, 0.00394984/step Wall: 6701.38, 0.00394984/step, 0.904075 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1676000 690.2198 1848.5049 1961.6062 105.2914 1.6198 -1133.4225 0.0000 0.0000 2732.4787 6206.2983 301.8099 3473.8196 6239.3724 299.8394 PRESSURE: 1676200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1676200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1676200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1676200 0 0 0 0 0 0 0 0 0 TIMING: 1676200 CPU: 6702.17, 0.00394885/step Wall: 6702.17, 0.00394885/step, 0.903628 hours remaining, 114.421875 MB of memory in use. ENERGY: 1676200 691.6233 1838.3599 1997.1244 118.4685 2.0115 -1132.8193 0.0000 0.0000 2671.2598 6186.0281 295.0481 3514.7683 6217.5848 300.5360 LDB: ============= START OF LOAD BALANCING ============== 6705.13 LDB: ============== END OF LOAD BALANCING =============== 6705.13 LDB: =============== DONE WITH MIGRATION ================ 6705.13 LDB: ============= START OF LOAD BALANCING ============== 6705.52 LDB: ============== END OF LOAD BALANCING =============== 6705.52 LDB: =============== DONE WITH MIGRATION ================ 6705.52 PRESSURE: 1676400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1676400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1676400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1676400 0 0 0 0 0 0 0 0 0 TIMING: 1676400 CPU: 6702.96, 0.00395377/step Wall: 6702.96, 0.00395377/step, 0.904535 hours remaining, 114.421875 MB of memory in use. ENERGY: 1676400 687.3702 1878.1360 1946.2525 106.9020 1.2368 -1138.8008 0.0000 0.0000 2704.2643 6185.3610 298.6935 3481.0967 6216.1939 297.7272 PRESSURE: 1676600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1676600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1676600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1676600 0 0 0 0 0 0 0 0 0 TIMING: 1676600 CPU: 6703.75, 0.00394677/step Wall: 6703.75, 0.00394677/step, 0.902713 hours remaining, 114.421875 MB of memory in use. ENERGY: 1676600 678.9654 1785.3452 1979.3816 99.4614 1.7153 -1119.9881 0.0000 0.0000 2755.5937 6180.4746 304.3630 3424.8809 6217.6249 300.2056 PRESSURE: 1676800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1676800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1676800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1676800 0 0 0 0 0 0 0 0 0 TIMING: 1676800 CPU: 6704.54, 0.00396027/step Wall: 6704.54, 0.00396027/step, 0.905583 hours remaining, 114.421875 MB of memory in use. ENERGY: 1676800 647.5563 1844.0765 1994.3006 104.9828 1.5497 -1114.8917 0.0000 0.0000 2682.4508 6160.0250 296.2842 3477.5742 6194.0391 298.0379 PRESSURE: 1677000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1677000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1677000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1677000 0 0 0 0 0 0 0 0 0 TIMING: 1677000 CPU: 6705.33, 0.00395493/step Wall: 6705.33, 0.00395493/step, 0.904141 hours remaining, 114.421875 MB of memory in use. ENERGY: 1677000 637.6366 1806.0685 1962.0098 107.8606 0.8886 -1080.0015 0.0000 0.0000 2756.1543 6190.6168 304.4249 3434.4625 6225.4946 298.4581 PRESSURE: 1677200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1677200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1677200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1677200 0 0 0 0 0 0 0 0 0 TIMING: 1677200 CPU: 6706.12, 0.00395483/step Wall: 6706.12, 0.00395483/step, 0.903898 hours remaining, 114.421875 MB of memory in use. ENERGY: 1677200 667.4508 1795.4695 1962.2765 115.2569 0.7459 -1116.9460 0.0000 0.0000 2703.3086 6127.5623 298.5880 3424.2536 6163.2041 298.4597 PRESSURE: 1677400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1677400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1677400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1677400 0 0 0 0 0 0 0 0 0 TIMING: 1677400 CPU: 6706.91, 0.00394547/step Wall: 6706.91, 0.00394547/step, 0.901541 hours remaining, 114.421875 MB of memory in use. ENERGY: 1677400 655.9909 1770.3518 1982.9872 106.9433 1.1350 -1106.6626 0.0000 0.0000 2704.5430 6115.2887 298.7243 3410.7457 6150.4586 294.8223 PRESSURE: 1677600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1677600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1677600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1677600 0 0 0 0 0 0 0 0 0 TIMING: 1677600 CPU: 6707.7, 0.00395229/step Wall: 6707.7, 0.00395229/step, 0.902878 hours remaining, 114.421875 MB of memory in use. ENERGY: 1677600 628.0561 1797.0543 1974.6662 96.5055 1.8635 -1069.7631 0.0000 0.0000 2660.0450 6088.4276 293.8094 3428.3826 6120.7423 292.9765 PRESSURE: 1677800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1677800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1677800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1677800 0 0 0 0 0 0 0 0 0 TIMING: 1677800 CPU: 6708.49, 0.00395041/step Wall: 6708.49, 0.00395041/step, 0.902231 hours remaining, 114.421875 MB of memory in use. ENERGY: 1677800 671.8072 1862.6090 1961.5753 109.7487 1.2874 -1069.0121 0.0000 0.0000 2587.5617 6125.5770 285.8034 3538.0154 6156.4970 293.5519 PRESSURE: 1678000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1678000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1678000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1678000 0 0 0 0 0 0 0 0 0 TIMING: 1678000 CPU: 6709.28, 0.00395103/step Wall: 6709.28, 0.00395103/step, 0.902151 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1678000 649.1090 1809.8933 1959.5041 98.6874 3.1133 -1076.2233 0.0000 0.0000 2679.7803 6123.8641 295.9892 3444.0838 6155.9132 295.8336 PRESSURE: 1678200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1678200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1678200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1678200 0 0 0 0 0 0 0 0 0 TIMING: 1678200 CPU: 6710.07, 0.00394917/step Wall: 6710.07, 0.00394917/step, 0.901507 hours remaining, 114.421875 MB of memory in use. ENERGY: 1678200 612.1420 1806.9478 1964.1412 110.3172 2.4409 -1094.5665 0.0000 0.0000 2716.8752 6118.2978 300.0864 3401.4227 6152.8859 297.5357 PRESSURE: 1678400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1678400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1678400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1678400 0 0 0 0 0 0 0 0 0 TIMING: 1678400 CPU: 6710.86, 0.00394473/step Wall: 6710.86, 0.00394473/step, 0.900276 hours remaining, 114.421875 MB of memory in use. ENERGY: 1678400 625.3096 1798.7833 1989.4611 109.4647 1.2308 -1111.4956 0.0000 0.0000 2720.6182 6133.3720 300.4999 3412.7539 6166.2704 297.1440 PRESSURE: 1678600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1678600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1678600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1678600 0 0 0 0 0 0 0 0 0 TIMING: 1678600 CPU: 6711.65, 0.00395071/step Wall: 6711.65, 0.00395071/step, 0.901419 hours remaining, 114.421875 MB of memory in use. ENERGY: 1678600 691.0541 1803.7755 1980.4306 116.0222 1.3060 -1160.1611 0.0000 0.0000 2692.2046 6124.6319 297.3615 3432.4272 6154.9437 296.7676 PRESSURE: 1678800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1678800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1678800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1678800 0 0 0 0 0 0 0 0 0 TIMING: 1678800 CPU: 6712.44, 0.00395015/step Wall: 6712.44, 0.00395015/step, 0.901072 hours remaining, 114.421875 MB of memory in use. ENERGY: 1678800 646.5768 1819.2590 1960.5609 95.5302 0.9673 -1056.8635 0.0000 0.0000 2690.1005 6156.1311 297.1291 3466.0306 6189.8193 296.7718 PRESSURE: 1679000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1679000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1679000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1679000 0 0 0 0 0 0 0 0 0 TIMING: 1679000 CPU: 6713.23, 0.00395178/step Wall: 6713.23, 0.00395178/step, 0.901226 hours remaining, 114.421875 MB of memory in use. ENERGY: 1679000 669.6257 1855.6499 1966.2076 120.5369 2.1613 -1092.8134 0.0000 0.0000 2635.7276 6157.0956 291.1235 3521.3680 6184.0928 296.8870 PRESSURE: 1679200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1679200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1679200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1679200 0 0 0 0 0 0 0 0 0 TIMING: 1679200 CPU: 6714.02, 0.00395216/step Wall: 6714.02, 0.00395215/step, 0.90109 hours remaining, 114.421875 MB of memory in use. ENERGY: 1679200 654.1097 1881.8165 1966.2793 107.3763 1.0778 -1071.9058 0.0000 0.0000 2668.5614 6207.3150 294.7500 3538.7537 6238.1857 298.1564 PRESSURE: 1679400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1679400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1679400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1679400 0 0 0 0 0 0 0 0 0 TIMING: 1679400 CPU: 6714.81, 0.00394493/step Wall: 6714.81, 0.00394493/step, 0.899226 hours remaining, 114.421875 MB of memory in use. ENERGY: 1679400 681.8851 1807.2203 1996.9895 105.5076 3.4774 -1080.7816 0.0000 0.0000 2731.1841 6245.4824 301.6669 3514.2983 6278.3357 301.1838 PRESSURE: 1679600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1679600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1679600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1679600 0 0 0 0 0 0 0 0 0 TIMING: 1679600 CPU: 6715.6, 0.00395258/step Wall: 6715.6, 0.00395257/step, 0.900747 hours remaining, 114.421875 MB of memory in use. ENERGY: 1679600 643.7832 1835.4551 2009.4449 121.1869 1.9667 -1085.4920 0.0000 0.0000 2743.3848 6269.7297 303.0145 3526.3449 6301.7672 301.9181 PRESSURE: 1679800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1679800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1679800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1679800 0 0 0 0 0 0 0 0 0 TIMING: 1679800 CPU: 6716.39, 0.00395238/step Wall: 6716.39, 0.00395239/step, 0.900486 hours remaining, 114.421875 MB of memory in use. ENERGY: 1679800 656.7051 1884.6737 2007.8841 115.7936 2.3207 -1135.6762 0.0000 0.0000 2705.5556 6237.2565 298.8361 3531.7010 6268.8385 303.2032 PRESSURE: 1680000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1680000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1680000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1680000 0 0 0 0 0 0 0 0 0 TIMING: 1680000 CPU: 6717.18, 0.00395423/step Wall: 6717.18, 0.00395423/step, 0.900685 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1680000 668.6431 1819.9431 1943.8572 108.0768 1.4089 -1103.2670 0.0000 0.0000 2811.0272 6249.6893 310.4858 3438.6621 6286.1218 302.2971 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1680000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1680000 WRITING COORDINATES TO RESTART FILE AT STEP 1680000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1680000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1680200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1680200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1680200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1680200 0 0 0 0 0 0 0 0 0 TIMING: 1680200 CPU: 6718.01, 0.00414619/step Wall: 6718.01, 0.00414619/step, 0.94418 hours remaining, 114.421875 MB of memory in use. ENERGY: 1680200 700.2602 1877.9593 1968.7966 110.5573 1.2228 -1137.7005 0.0000 0.0000 2736.2198 6257.3155 302.2231 3521.0956 6293.3421 302.9681 LDB: ============= START OF LOAD BALANCING ============== 6720.97 LDB: ============== END OF LOAD BALANCING =============== 6720.97 LDB: =============== DONE WITH MIGRATION ================ 6720.97 LDB: ============= START OF LOAD BALANCING ============== 6721.37 LDB: ============== END OF LOAD BALANCING =============== 6721.37 LDB: =============== DONE WITH MIGRATION ================ 6721.37 PRESSURE: 1680400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1680400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1680400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1680400 0 0 0 0 0 0 0 0 0 TIMING: 1680400 CPU: 6718.8, 0.00395126/step Wall: 6718.8, 0.00395126/step, 0.89957 hours remaining, 114.421875 MB of memory in use. ENERGY: 1680400 690.3058 1876.9705 1958.2083 111.8836 1.4860 -1122.1973 0.0000 0.0000 2710.9439 6227.6007 299.4313 3516.6568 6259.4462 301.7776 PRESSURE: 1680600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1680600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1680600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1680600 0 0 0 0 0 0 0 0 0 TIMING: 1680600 CPU: 6719.59, 0.00395334/step Wall: 6719.59, 0.00395334/step, 0.899823 hours remaining, 114.421875 MB of memory in use. ENERGY: 1680600 677.2259 1877.2633 1950.9662 112.7832 1.3352 -1096.2041 0.0000 0.0000 2633.5126 6156.8823 290.8788 3523.3697 6187.0584 299.8732 PRESSURE: 1680800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1680800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1680800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1680800 0 0 0 0 0 0 0 0 0 TIMING: 1680800 CPU: 6720.38, 0.00395208/step Wall: 6720.38, 0.00395208/step, 0.899318 hours remaining, 114.421875 MB of memory in use. ENERGY: 1680800 644.1582 1838.3800 1962.2232 115.7639 -0.0157 -1093.9723 0.0000 0.0000 2674.8339 6141.3711 295.4429 3466.5372 6175.1331 297.3679 PRESSURE: 1681000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1681000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1681000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1681000 0 0 0 0 0 0 0 0 0 TIMING: 1681000 CPU: 6721.17, 0.00395392/step Wall: 6721.17, 0.00395392/step, 0.899517 hours remaining, 114.421875 MB of memory in use. ENERGY: 1681000 653.8921 1835.9091 1957.8575 111.7946 -0.1684 -1094.3102 0.0000 0.0000 2689.4709 6154.4456 297.0596 3464.9747 6187.5439 296.6291 PRESSURE: 1681200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1681200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1681200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1681200 0 0 0 0 0 0 0 0 0 TIMING: 1681200 CPU: 6721.96, 0.00395112/step Wall: 6721.96, 0.00395112/step, 0.89866 hours remaining, 114.421875 MB of memory in use. ENERGY: 1681200 653.4076 1839.3445 1958.8286 108.0397 0.9362 -1100.3121 0.0000 0.0000 2676.3361 6136.5805 295.6088 3460.2444 6168.6518 296.1419 PRESSURE: 1681400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1681400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1681400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1681400 0 0 0 0 0 0 0 0 0 TIMING: 1681400 CPU: 6722.75, 0.00394727/step Wall: 6722.75, 0.00394727/step, 0.897564 hours remaining, 114.421875 MB of memory in use. ENERGY: 1681400 629.0051 1870.1653 1951.9648 99.4289 1.7325 -1102.5977 0.0000 0.0000 2723.4437 6173.1427 300.8119 3449.6989 6206.9479 297.5372 PRESSURE: 1681600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1681600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1681600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1681600 0 0 0 0 0 0 0 0 0 TIMING: 1681600 CPU: 6723.54, 0.00395391/step Wall: 6723.54, 0.00395391/step, 0.898857 hours remaining, 114.421875 MB of memory in use. ENERGY: 1681600 636.3950 1844.2495 1957.7443 96.1904 1.5166 -1097.1531 0.0000 0.0000 2718.3079 6157.2506 300.2447 3438.9428 6190.2285 297.4321 PRESSURE: 1681800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1681800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1681800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1681800 0 0 0 0 0 0 0 0 0 TIMING: 1681800 CPU: 6724.33, 0.00395198/step Wall: 6724.33, 0.00395198/step, 0.898197 hours remaining, 114.421875 MB of memory in use. ENERGY: 1681800 643.6401 1871.4159 1970.9906 98.0525 2.0923 -1100.7024 0.0000 0.0000 2690.0861 6175.5750 297.1275 3485.4890 6209.6454 296.8644 PRESSURE: 1682000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1682000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1682000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1682000 0 0 0 0 0 0 0 0 0 TIMING: 1682000 CPU: 6725.12, 0.00395233/step Wall: 6725.12, 0.00395233/step, 0.898056 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1682000 648.2654 1845.8731 1947.3885 100.9407 1.0620 -1098.9418 0.0000 0.0000 2677.0457 6121.6336 295.6872 3444.5879 6154.7248 296.2658 PRESSURE: 1682200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1682200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1682200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1682200 0 0 0 0 0 0 0 0 0 TIMING: 1682200 CPU: 6725.91, 0.0039457/step Wall: 6725.91, 0.0039457/step, 0.896332 hours remaining, 114.421875 MB of memory in use. ENERGY: 1682200 635.0360 1797.9803 1968.6638 111.6989 2.2997 -1075.5390 0.0000 0.0000 2667.5523 6107.6921 294.6386 3440.1398 6140.3610 293.6187 PRESSURE: 1682400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1682400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1682400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1682400 0 0 0 0 0 0 0 0 0 TIMING: 1682400 CPU: 6726.7, 0.00395163/step Wall: 6726.7, 0.00395163/step, 0.897459 hours remaining, 114.421875 MB of memory in use. ENERGY: 1682400 640.0646 1820.6010 1985.1638 105.0091 3.5933 -1097.0771 0.0000 0.0000 2632.2230 6089.5776 290.7364 3457.3546 6121.0845 293.1582 PRESSURE: 1682600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1682600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1682600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1682600 0 0 0 0 0 0 0 0 0 TIMING: 1682600 CPU: 6727.49, 0.00395128/step Wall: 6727.49, 0.00395128/step, 0.89716 hours remaining, 114.421875 MB of memory in use. ENERGY: 1682600 639.7472 1759.5262 1945.9951 104.0035 2.0208 -1055.3462 0.0000 0.0000 2691.7223 6087.6691 297.3082 3395.9468 6120.6045 294.0996 PRESSURE: 1682800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1682800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1682800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1682800 0 0 0 0 0 0 0 0 0 TIMING: 1682800 CPU: 6728.28, 0.00395138/step Wall: 6728.28, 0.00395138/step, 0.896962 hours remaining, 114.421875 MB of memory in use. ENERGY: 1682800 633.3840 1828.8626 1961.9352 112.1422 1.6085 -1088.0870 0.0000 0.0000 2667.8160 6117.6615 294.6677 3449.8455 6148.2306 295.8596 PRESSURE: 1683000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1683000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1683000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1683000 0 0 0 0 0 0 0 0 0 TIMING: 1683000 CPU: 6729.07, 0.00395103/step Wall: 6729.07, 0.00395103/step, 0.896663 hours remaining, 114.421875 MB of memory in use. ENERGY: 1683000 635.5364 1858.3458 1976.1484 120.8832 1.2683 -1091.3021 0.0000 0.0000 2658.8132 6159.6934 293.6733 3500.8801 6191.6041 295.5534 PRESSURE: 1683200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1683200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1683200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1683200 0 0 0 0 0 0 0 0 0 TIMING: 1683200 CPU: 6729.86, 0.00394793/step Wall: 6729.86, 0.00394793/step, 0.895742 hours remaining, 114.421875 MB of memory in use. ENERGY: 1683200 638.1322 1844.1058 1969.2136 98.5094 1.6018 -1102.8816 0.0000 0.0000 2673.2484 6121.9296 295.2677 3448.6812 6155.4279 296.9439 PRESSURE: 1683400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1683400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1683400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1683400 0 0 0 0 0 0 0 0 0 TIMING: 1683400 CPU: 6730.65, 0.00395242/step Wall: 6730.65, 0.00395242/step, 0.896542 hours remaining, 114.421875 MB of memory in use. ENERGY: 1683400 627.0255 1838.6375 1963.9825 108.4413 2.0563 -1079.2757 0.0000 0.0000 2681.7930 6142.6604 296.2115 3460.8673 6177.5335 295.2817 PRESSURE: 1683600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1683600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1683600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1683600 0 0 0 0 0 0 0 0 0 TIMING: 1683600 CPU: 6731.44, 0.00395296/step Wall: 6731.44, 0.00395296/step, 0.896443 hours remaining, 114.421875 MB of memory in use. ENERGY: 1683600 632.2129 1762.4575 1957.1648 111.0342 1.6362 -1048.4458 0.0000 0.0000 2692.2843 6108.3441 297.3703 3416.0598 6142.1846 294.8033 PRESSURE: 1683800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1683800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1683800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1683800 0 0 0 0 0 0 0 0 0 TIMING: 1683800 CPU: 6732.24, 0.00395151/step Wall: 6732.24, 0.00395151/step, 0.895895 hours remaining, 114.421875 MB of memory in use. ENERGY: 1683800 666.4331 1808.6366 1939.1455 106.3185 2.2802 -1067.2142 0.0000 0.0000 2659.9347 6115.5343 293.7972 3455.5997 6147.7308 294.0324 PRESSURE: 1684000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1684000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1684000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1684000 0 0 0 0 0 0 0 0 0 TIMING: 1684000 CPU: 6733.03, 0.00394982/step Wall: 6733.03, 0.00394982/step, 0.895292 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1684000 665.9171 1834.4624 1958.0322 108.5866 2.0302 -1079.6447 0.0000 0.0000 2633.1466 6122.5305 290.8384 3489.3839 6156.1529 294.7704 PRESSURE: 1684200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1684200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1684200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1684200 0 0 0 0 0 0 0 0 0 TIMING: 1684200 CPU: 6733.81, 0.00394722/step Wall: 6733.81, 0.00394722/step, 0.894484 hours remaining, 114.421875 MB of memory in use. ENERGY: 1684200 626.2537 1845.3720 1944.0591 112.0109 1.9711 -1094.7907 0.0000 0.0000 2669.4497 6104.3257 294.8481 3434.8761 6136.3928 293.4170 LDB: ============= START OF LOAD BALANCING ============== 6736.77 LDB: ============== END OF LOAD BALANCING =============== 6736.77 LDB: =============== DONE WITH MIGRATION ================ 6736.77 LDB: ============= START OF LOAD BALANCING ============== 6737.17 LDB: ============== END OF LOAD BALANCING =============== 6737.17 LDB: =============== DONE WITH MIGRATION ================ 6737.17 PRESSURE: 1684400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1684400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1684400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1684400 0 0 0 0 0 0 0 0 0 TIMING: 1684400 CPU: 6734.61, 0.00395492/step Wall: 6734.61, 0.00395492/step, 0.896008 hours remaining, 114.421875 MB of memory in use. ENERGY: 1684400 698.9736 1781.5930 1964.8939 107.2330 2.0641 -1093.9640 0.0000 0.0000 2687.9466 6148.7401 296.8912 3460.7936 6181.0834 293.1263 PRESSURE: 1684600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1684600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1684600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1684600 0 0 0 0 0 0 0 0 0 TIMING: 1684600 CPU: 6735.4, 0.00394963/step Wall: 6735.4, 0.00394963/step, 0.894591 hours remaining, 114.421875 MB of memory in use. ENERGY: 1684600 630.6512 1844.5006 1974.6499 120.3999 1.1916 -1059.6830 0.0000 0.0000 2708.0779 6219.7882 299.1147 3511.7103 6251.3266 297.0456 PRESSURE: 1684800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1684800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1684800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1684800 0 0 0 0 0 0 0 0 0 TIMING: 1684800 CPU: 6736.19, 0.0039509/step Wall: 6736.19, 0.0039509/step, 0.894658 hours remaining, 114.421875 MB of memory in use. ENERGY: 1684800 680.3945 1868.3293 1975.0727 113.4847 1.7754 -1106.3584 0.0000 0.0000 2728.4109 6261.1092 301.3606 3532.6983 6293.8035 301.2724 PRESSURE: 1685000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1685000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1685000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1685000 0 0 0 0 0 0 0 0 0 TIMING: 1685000 CPU: 6736.98, 0.00394741/step Wall: 6736.98, 0.00394741/step, 0.89365 hours remaining, 114.421875 MB of memory in use. ENERGY: 1685000 665.0973 1856.4445 1952.5890 102.0619 1.7974 -1076.1014 0.0000 0.0000 2760.5006 6262.3894 304.9050 3501.8888 6295.2920 304.2883 PRESSURE: 1685200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1685200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1685200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1685200 0 0 0 0 0 0 0 0 0 TIMING: 1685200 CPU: 6737.77, 0.00395087/step Wall: 6737.77, 0.00395087/step, 0.894215 hours remaining, 114.421875 MB of memory in use. ENERGY: 1685200 692.2179 1840.6567 1958.2132 113.0116 1.9773 -1106.3137 0.0000 0.0000 2732.8034 6232.5664 301.8458 3499.7630 6266.2074 303.3151 PRESSURE: 1685400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1685400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1685400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1685400 0 0 0 0 0 0 0 0 0 TIMING: 1685400 CPU: 6738.56, 0.00395766/step Wall: 6738.56, 0.00395766/step, 0.895531 hours remaining, 114.421875 MB of memory in use. ENERGY: 1685400 666.1898 1827.7092 1975.2286 104.6560 3.4410 -1078.8021 0.0000 0.0000 2703.9221 6202.3445 298.6557 3498.4224 6236.0009 301.1595 PRESSURE: 1685600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1685600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1685600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1685600 0 0 0 0 0 0 0 0 0 TIMING: 1685600 CPU: 6739.35, 0.00395001/step Wall: 6739.35, 0.00395001/step, 0.89358 hours remaining, 114.421875 MB of memory in use. ENERGY: 1685600 663.2692 1911.6483 1941.6648 95.6085 2.5157 -1115.7361 0.0000 0.0000 2692.6214 6191.5918 297.4075 3498.9704 6225.7103 300.4653 PRESSURE: 1685800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1685800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1685800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1685800 0 0 0 0 0 0 0 0 0 TIMING: 1685800 CPU: 6740.14, 0.00394976/step Wall: 6740.14, 0.00394976/step, 0.893304 hours remaining, 114.421875 MB of memory in use. ENERGY: 1685800 637.9951 1768.5572 1975.9983 110.3684 0.1102 -1043.0109 0.0000 0.0000 2703.1815 6153.1997 298.5739 3450.0181 6187.7090 297.9188 PRESSURE: 1686000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1686000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1686000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1686000 0 0 0 0 0 0 0 0 0 TIMING: 1686000 CPU: 6740.93, 0.00394504/step Wall: 6740.93, 0.00394504/step, 0.892018 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1686000 605.5689 1821.2792 1968.1587 102.1804 1.7835 -1088.8714 0.0000 0.0000 2728.8755 6138.9748 301.4119 3410.0993 6175.1960 295.7686 PRESSURE: 1686200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1686200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1686200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1686200 0 0 0 0 0 0 0 0 0 TIMING: 1686200 CPU: 6741.72, 0.00395072/step Wall: 6741.72, 0.00395072/step, 0.893083 hours remaining, 114.421875 MB of memory in use. ENERGY: 1686200 667.0556 1827.7906 1971.6433 103.5164 2.5473 -1097.3344 0.0000 0.0000 2698.0569 6173.2757 298.0079 3475.2188 6204.4908 296.7751 PRESSURE: 1686400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1686400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1686400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1686400 0 0 0 0 0 0 0 0 0 TIMING: 1686400 CPU: 6742.51, 0.00394854/step Wall: 6742.51, 0.00394854/step, 0.89237 hours remaining, 114.421875 MB of memory in use. ENERGY: 1686400 619.7926 1812.6638 1948.9280 106.0926 2.7522 -1088.9766 0.0000 0.0000 2754.9778 6156.2305 304.2950 3401.2526 6188.6211 298.0752 PRESSURE: 1686600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1686600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1686600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1686600 0 0 0 0 0 0 0 0 0 TIMING: 1686600 CPU: 6743.3, 0.0039537/step Wall: 6743.3, 0.0039537/step, 0.893315 hours remaining, 114.421875 MB of memory in use. ENERGY: 1686600 639.0214 1827.8240 1948.4849 90.6480 1.5639 -1061.3052 0.0000 0.0000 2681.6184 6127.8555 296.1922 3446.2371 6161.1107 296.6857 PRESSURE: 1686800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1686800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1686800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1686800 0 0 0 0 0 0 0 0 0 TIMING: 1686800 CPU: 6744.09, 0.00395172/step Wall: 6744.09, 0.00395172/step, 0.89265 hours remaining, 114.421875 MB of memory in use. ENERGY: 1686800 651.6448 1772.6430 1929.9098 107.0634 2.4865 -1093.5742 0.0000 0.0000 2738.0427 6108.2161 302.4244 3370.1733 6144.3832 293.9871 PRESSURE: 1687000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1687000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1687000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1687000 0 0 0 0 0 0 0 0 0 TIMING: 1687000 CPU: 6744.88, 0.00394727/step Wall: 6744.88, 0.00394727/step, 0.891424 hours remaining, 114.421875 MB of memory in use. ENERGY: 1687000 655.0126 1850.7855 1976.2354 100.1253 2.2167 -1113.0672 0.0000 0.0000 2671.4217 6142.7302 295.0660 3471.3085 6175.8003 296.5088 PRESSURE: 1687200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1687200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1687200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1687200 0 0 0 0 0 0 0 0 0 TIMING: 1687200 CPU: 6745.67, 0.00395318/step Wall: 6745.67, 0.00395318/step, 0.89254 hours remaining, 114.421875 MB of memory in use. ENERGY: 1687200 671.3399 1815.4964 1981.5226 113.5553 1.8060 -1111.2105 0.0000 0.0000 2720.7608 6193.2706 300.5156 3472.5098 6228.0823 298.1748 PRESSURE: 1687400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1687400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1687400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1687400 0 0 0 0 0 0 0 0 0 TIMING: 1687400 CPU: 6746.46, 0.00395146/step Wall: 6746.46, 0.00395146/step, 0.891933 hours remaining, 114.421875 MB of memory in use. ENERGY: 1687400 649.1750 1847.4113 1973.8057 105.8181 2.7909 -1114.7393 0.0000 0.0000 2753.9880 6218.2497 304.1856 3464.2617 6252.7303 300.5524 PRESSURE: 1687600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1687600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1687600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1687600 0 0 0 0 0 0 0 0 0 TIMING: 1687600 CPU: 6747.25, 0.0039535/step Wall: 6747.25, 0.0039535/step, 0.892173 hours remaining, 114.421875 MB of memory in use. ENERGY: 1687600 665.9544 1913.5315 1949.1942 114.3348 2.8368 -1113.4294 0.0000 0.0000 2693.3903 6225.8126 297.4925 3532.4223 6256.3056 301.2551 PRESSURE: 1687800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1687800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1687800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1687800 0 0 0 0 0 0 0 0 0 TIMING: 1687800 CPU: 6748.04, 0.00395087/step Wall: 6748.04, 0.00395087/step, 0.891359 hours remaining, 114.421875 MB of memory in use. ENERGY: 1687800 635.5794 1910.5174 1951.4443 105.4268 2.5504 -1106.8183 0.0000 0.0000 2781.4468 6280.1468 307.2186 3498.7000 6314.4851 304.1641 PRESSURE: 1688000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1688000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1688000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1688000 0 0 0 0 0 0 0 0 0 TIMING: 1688000 CPU: 6748.83, 0.00394701/step Wall: 6748.83, 0.00394701/step, 0.89027 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1688000 664.1069 1827.4170 1956.8781 100.0899 1.5531 -1109.2757 0.0000 0.0000 2808.5711 6249.3405 310.2145 3440.7694 6285.6473 305.2343 PRESSURE: 1688200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1688200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1688200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1688200 0 0 0 0 0 0 0 0 0 TIMING: 1688200 CPU: 6749.62, 0.00395284/step Wall: 6749.62, 0.00395284/step, 0.891366 hours remaining, 114.421875 MB of memory in use. ENERGY: 1688200 643.9670 1858.7199 1960.0585 97.9635 2.7644 -1095.2258 0.0000 0.0000 2759.3932 6227.6407 304.7827 3468.2475 6262.9364 302.5558 LDB: ============= START OF LOAD BALANCING ============== 6752.58 LDB: ============== END OF LOAD BALANCING =============== 6752.58 LDB: =============== DONE WITH MIGRATION ================ 6752.58 LDB: ============= START OF LOAD BALANCING ============== 6752.97 LDB: ============== END OF LOAD BALANCING =============== 6752.97 LDB: =============== DONE WITH MIGRATION ================ 6752.97 PRESSURE: 1688400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1688400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1688400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1688400 0 0 0 0 0 0 0 0 0 TIMING: 1688400 CPU: 6750.41, 0.00395462/step Wall: 6750.41, 0.00395462/step, 0.891547 hours remaining, 114.421875 MB of memory in use. ENERGY: 1688400 669.8413 1828.7170 1972.0029 113.7347 2.9490 -1101.7335 0.0000 0.0000 2723.1470 6208.6584 300.7792 3485.5114 6240.8452 301.7139 PRESSURE: 1688600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1688600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1688600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1688600 0 0 0 0 0 0 0 0 0 TIMING: 1688600 CPU: 6751.2, 0.00395284/step Wall: 6751.2, 0.00395284/step, 0.890926 hours remaining, 114.421875 MB of memory in use. ENERGY: 1688600 696.8046 1819.3161 1979.9952 119.8874 1.4834 -1079.3026 0.0000 0.0000 2701.6295 6239.8136 298.4025 3538.1842 6268.6360 302.1883 PRESSURE: 1688800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1688800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1688800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1688800 0 0 0 0 0 0 0 0 0 TIMING: 1688800 CPU: 6751.99, 0.00394843/step Wall: 6751.99, 0.00394843/step, 0.889714 hours remaining, 114.421875 MB of memory in use. ENERGY: 1688800 637.2754 1866.4061 1952.8089 113.0995 3.2236 -1083.6140 0.0000 0.0000 2735.6356 6224.8350 302.1586 3489.1994 6258.3548 301.4414 PRESSURE: 1689000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1689000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1689000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1689000 0 0 0 0 0 0 0 0 0 TIMING: 1689000 CPU: 6752.78, 0.00395097/step Wall: 6752.78, 0.00395097/step, 0.890067 hours remaining, 114.421875 MB of memory in use. ENERGY: 1689000 684.5670 1858.3281 1966.0710 127.7395 1.4973 -1119.8068 0.0000 0.0000 2773.8864 6292.2825 306.3835 3518.3961 6327.9044 304.1805 PRESSURE: 1689200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1689200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1689200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1689200 0 0 0 0 0 0 0 0 0 TIMING: 1689200 CPU: 6753.57, 0.00395254/step Wall: 6753.57, 0.00395254/step, 0.8902 hours remaining, 114.421875 MB of memory in use. ENERGY: 1689200 648.5788 1826.4434 1966.3440 108.9546 1.6685 -1059.1853 0.0000 0.0000 2760.5411 6253.3450 304.9095 3492.8039 6289.0155 304.0942 PRESSURE: 1689400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1689400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1689400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1689400 0 0 0 0 0 0 0 0 0 TIMING: 1689400 CPU: 6754.36, 0.0039503/step Wall: 6754.36, 0.0039503/step, 0.889476 hours remaining, 114.421875 MB of memory in use. ENERGY: 1689400 694.0595 1828.1226 1958.4463 105.3530 1.8358 -1097.4955 0.0000 0.0000 2743.0569 6233.3787 302.9783 3490.3217 6267.2061 302.1970 PRESSURE: 1689600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1689600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1689600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1689600 0 0 0 0 0 0 0 0 0 TIMING: 1689600 CPU: 6755.15, 0.00395213/step Wall: 6755.15, 0.00395213/step, 0.889669 hours remaining, 114.421875 MB of memory in use. ENERGY: 1689600 663.7673 1816.8774 1951.9719 119.0324 1.8768 -1095.8896 0.0000 0.0000 2685.7130 6143.3493 296.6445 3457.6363 6176.1770 298.6489 PRESSURE: 1689800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1689800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1689800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1689800 0 0 0 0 0 0 0 0 0 TIMING: 1689800 CPU: 6755.94, 0.00394739/step Wall: 6755.94, 0.00394739/step, 0.888382 hours remaining, 114.421875 MB of memory in use. ENERGY: 1689800 617.4194 1837.5905 1968.0797 108.1449 0.8639 -1074.5325 0.0000 0.0000 2704.1069 6161.6728 298.6761 3457.5658 6196.0209 296.7162 PRESSURE: 1690000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1690000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1690000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1690000 0 0 0 0 0 0 0 0 0 TIMING: 1690000 CPU: 6756.73, 0.00395094/step Wall: 6756.73, 0.00395094/step, 0.888962 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1690000 635.3495 1822.9489 1971.2858 117.5682 0.4016 -1060.1203 0.0000 0.0000 2714.7504 6202.1840 299.8517 3487.4336 6234.0017 297.3872 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1690000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1690000 WRITING COORDINATES TO RESTART FILE AT STEP 1690000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1690000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1690200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1690200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1690200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1690200 0 0 0 0 0 0 0 0 0 TIMING: 1690200 CPU: 6757.56, 0.00415776/step Wall: 6757.56, 0.00415776/step, 0.935264 hours remaining, 114.421875 MB of memory in use. ENERGY: 1690200 664.7796 1824.4009 1985.4057 121.0839 1.5150 -1081.4338 0.0000 0.0000 2694.6073 6210.3588 297.6269 3515.7515 6239.6660 298.1622 PRESSURE: 1690400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1690400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1690400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1690400 0 0 0 0 0 0 0 0 0 TIMING: 1690400 CPU: 6758.35, 0.00395063/step Wall: 6758.35, 0.00395063/step, 0.888453 hours remaining, 114.421875 MB of memory in use. ENERGY: 1690400 671.2108 1823.2017 1995.8977 109.7720 0.1669 -1106.9166 0.0000 0.0000 2731.3040 6224.6364 301.6801 3493.3324 6257.0883 299.1300 PRESSURE: 1690600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1690600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1690600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1690600 0 0 0 0 0 0 0 0 0 TIMING: 1690600 CPU: 6759.14, 0.00395169/step Wall: 6759.14, 0.00395169/step, 0.888472 hours remaining, 114.421875 MB of memory in use. ENERGY: 1690600 667.8755 1822.3216 1977.9051 112.4215 1.1228 -1067.1855 0.0000 0.0000 2769.5705 6284.0315 305.9068 3514.4610 6318.9056 301.9494 PRESSURE: 1690800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1690800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1690800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1690800 0 0 0 0 0 0 0 0 0 TIMING: 1690800 CPU: 6759.93, 0.00394631/step Wall: 6759.93, 0.00394631/step, 0.887043 hours remaining, 114.421875 MB of memory in use. ENERGY: 1690800 664.4749 1832.5490 2005.9884 104.4738 1.0399 -1082.9514 0.0000 0.0000 2731.2434 6256.8182 301.6734 3525.5747 6288.2636 303.3716 PRESSURE: 1691000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1691000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1691000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1691000 0 0 0 0 0 0 0 0 0 TIMING: 1691000 CPU: 6760.72, 0.0039496/step Wall: 6760.72, 0.0039496/step, 0.887563 hours remaining, 114.421875 MB of memory in use. ENERGY: 1691000 681.0120 1805.8861 1999.1237 101.8667 1.0449 -1069.0724 0.0000 0.0000 2687.1465 6207.0075 296.8028 3519.8610 6238.6472 301.8449 PRESSURE: 1691200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1691200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1691200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1691200 0 0 0 0 0 0 0 0 0 TIMING: 1691200 CPU: 6761.51, 0.00395097/step Wall: 6761.51, 0.00395097/step, 0.887652 hours remaining, 114.421875 MB of memory in use. ENERGY: 1691200 678.3572 1855.2011 1955.9565 116.0312 0.7575 -1073.0949 0.0000 0.0000 2659.5977 6192.8062 293.7600 3533.2086 6223.0956 299.4503 PRESSURE: 1691400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1691400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1691400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1691400 0 0 0 0 0 0 0 0 0 TIMING: 1691400 CPU: 6762.3, 0.00395004/step Wall: 6762.3, 0.00395004/step, 0.887222 hours remaining, 114.421875 MB of memory in use. ENERGY: 1691400 639.6202 1835.0635 1986.4881 108.8897 0.4237 -1108.9388 0.0000 0.0000 2724.4337 6185.9800 300.9213 3461.5463 6216.5708 299.7005 PRESSURE: 1691600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1691600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1691600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1691600 0 0 0 0 0 0 0 0 0 TIMING: 1691600 CPU: 6763.09, 0.0039511/step Wall: 6763.09, 0.0039511/step, 0.887241 hours remaining, 114.421875 MB of memory in use. ENERGY: 1691600 648.8554 1853.6517 2009.2829 98.9713 2.1953 -1086.8750 0.0000 0.0000 2728.7068 6254.7883 301.3933 3526.0815 6287.3110 300.9017 PRESSURE: 1691800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1691800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1691800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1691800 0 0 0 0 0 0 0 0 0 TIMING: 1691800 CPU: 6763.88, 0.00394956/step Wall: 6763.88, 0.00394956/step, 0.886675 hours remaining, 114.421875 MB of memory in use. ENERGY: 1691800 669.4507 1843.4852 1983.9803 116.2392 0.9891 -1082.4659 0.0000 0.0000 2726.6108 6258.2895 301.1618 3531.6787 6290.0478 302.6071 PRESSURE: 1692000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1692000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1692000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1692000 0 0 0 0 0 0 0 0 0 TIMING: 1692000 CPU: 6764.68, 0.00398241/step Wall: 6764.68, 0.00398241/step, 0.89383 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1692000 635.3482 1885.4225 1997.8852 124.2472 1.5904 -1053.7283 0.0000 0.0000 2648.4356 6239.2008 292.5271 3590.7652 6269.9111 300.6261 PRESSURE: 1692200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1692200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1692200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1692200 0 0 0 0 0 0 0 0 0 TIMING: 1692200 CPU: 6765.47, 0.00395571/step Wall: 6765.47, 0.00395571/step, 0.887617 hours remaining, 114.421875 MB of memory in use. ENERGY: 1692200 711.6025 1849.2387 1953.9142 101.7307 1.5500 -1060.2110 0.0000 0.0000 2725.4496 6283.2749 301.0335 3557.8252 6317.4811 299.8012 LDB: ============= START OF LOAD BALANCING ============== 6768.43 LDB: ============== END OF LOAD BALANCING =============== 6768.43 LDB: =============== DONE WITH MIGRATION ================ 6768.43 LDB: ============= START OF LOAD BALANCING ============== 6768.83 LDB: ============== END OF LOAD BALANCING =============== 6768.83 LDB: =============== DONE WITH MIGRATION ================ 6768.83 PRESSURE: 1692400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1692400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1692400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1692400 0 0 0 0 0 0 0 0 0 TIMING: 1692400 CPU: 6766.26, 0.00395915/step Wall: 6766.26, 0.00395915/step, 0.888168 hours remaining, 114.421875 MB of memory in use. ENERGY: 1692400 668.2173 1811.7490 1991.2655 105.5772 2.6303 -1062.2067 0.0000 0.0000 2765.5301 6282.7627 305.4605 3517.2326 6319.7362 303.2529 PRESSURE: 1692600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1692600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1692600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1692600 0 0 0 0 0 0 0 0 0 TIMING: 1692600 CPU: 6767.05, 0.00395204/step Wall: 6767.05, 0.00395204/step, 0.886356 hours remaining, 114.421875 MB of memory in use. ENERGY: 1692600 683.3667 1872.8334 1973.7734 113.3763 0.9135 -1069.7107 0.0000 0.0000 2713.1655 6287.7180 299.6767 3574.5525 6316.7660 303.2866 PRESSURE: 1692800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1692800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1692800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1692800 0 0 0 0 0 0 0 0 0 TIMING: 1692800 CPU: 6767.84, 0.00394905/step Wall: 6767.84, 0.00394905/step, 0.885465 hours remaining, 114.421875 MB of memory in use. ENERGY: 1692800 693.9821 1861.3910 1962.2917 105.2527 1.9178 -1079.6051 0.0000 0.0000 2698.3040 6243.5342 298.0352 3545.2303 6276.9913 302.5540 PRESSURE: 1693000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1693000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1693000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1693000 0 0 0 0 0 0 0 0 0 TIMING: 1693000 CPU: 6768.63, 0.0039529/step Wall: 6768.63, 0.0039529/step, 0.88611 hours remaining, 114.421875 MB of memory in use. ENERGY: 1693000 672.8308 1832.8421 1940.6546 125.0079 0.7425 -1085.7363 0.0000 0.0000 2747.2607 6233.6022 303.4426 3486.3416 6270.2543 302.1668 PRESSURE: 1693200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1693200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1693200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1693200 0 0 0 0 0 0 0 0 0 TIMING: 1693200 CPU: 6769.42, 0.00395303/step Wall: 6769.42, 0.00395303/step, 0.885918 hours remaining, 114.421875 MB of memory in use. ENERGY: 1693200 707.4430 1811.1175 1948.1494 102.3039 1.6018 -1115.9277 0.0000 0.0000 2728.4205 6183.1085 301.3616 3454.6880 6217.8440 299.6273 PRESSURE: 1693400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1693400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1693400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1693400 0 0 0 0 0 0 0 0 0 TIMING: 1693400 CPU: 6770.21, 0.00395023/step Wall: 6770.21, 0.00395023/step, 0.885071 hours remaining, 114.421875 MB of memory in use. ENERGY: 1693400 686.9144 1857.7676 1966.3239 99.5129 0.6230 -1068.4528 0.0000 0.0000 2674.6279 6217.3168 295.4201 3542.6889 6249.1924 298.6277 PRESSURE: 1693600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1693600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1693600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1693600 0 0 0 0 0 0 0 0 0 TIMING: 1693600 CPU: 6771, 0.00394863/step Wall: 6771, 0.00394863/step, 0.884492 hours remaining, 114.421875 MB of memory in use. ENERGY: 1693600 630.0489 1808.5391 1949.8479 111.8422 1.7255 -1076.9426 0.0000 0.0000 2724.8780 6149.9391 300.9704 3425.0611 6184.0799 299.9295 PRESSURE: 1693800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1693800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1693800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1693800 0 0 0 0 0 0 0 0 0 TIMING: 1693800 CPU: 6771.79, 0.00394897/step Wall: 6771.79, 0.00394897/step, 0.884349 hours remaining, 114.421875 MB of memory in use. ENERGY: 1693800 666.5175 1879.0374 1955.0528 105.1215 0.7197 -1103.3704 0.0000 0.0000 2668.8726 6171.9511 294.7844 3503.0785 6203.0612 296.6959 PRESSURE: 1694000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1694000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1694000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1694000 0 0 0 0 0 0 0 0 0 TIMING: 1694000 CPU: 6772.58, 0.00394818/step Wall: 6772.58, 0.00394818/step, 0.883954 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1694000 624.7284 1869.2644 1964.3395 110.8415 1.1648 -1043.6129 0.0000 0.0000 2726.0619 6252.7875 301.1011 3526.7256 6287.7996 296.2926 PRESSURE: 1694200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1694200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1694200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1694200 0 0 0 0 0 0 0 0 0 TIMING: 1694200 CPU: 6773.37, 0.00394998/step Wall: 6773.37, 0.00394998/step, 0.884137 hours remaining, 114.421875 MB of memory in use. ENERGY: 1694200 714.4793 1825.8012 1983.3508 107.6353 1.5823 -1105.7658 0.0000 0.0000 2688.2374 6215.3205 296.9233 3527.0831 6247.1412 299.1362 PRESSURE: 1694400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1694400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1694400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1694400 0 0 0 0 0 0 0 0 0 TIMING: 1694400 CPU: 6774.16, 0.00394863/step Wall: 6774.16, 0.00394863/step, 0.883616 hours remaining, 114.421875 MB of memory in use. ENERGY: 1694400 705.9394 1795.5402 1966.5546 112.7894 2.6982 -1071.8734 0.0000 0.0000 2690.9829 6202.6315 297.2266 3511.6485 6233.6024 299.0254 PRESSURE: 1694600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1694600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1694600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1694600 0 0 0 0 0 0 0 0 0 TIMING: 1694600 CPU: 6774.95, 0.00394776/step Wall: 6774.95, 0.00394776/step, 0.883203 hours remaining, 114.421875 MB of memory in use. ENERGY: 1694600 671.5301 1855.4328 1952.3976 116.5966 2.0505 -1068.0716 0.0000 0.0000 2646.3736 6176.3094 292.2993 3529.9358 6206.4475 299.7033 PRESSURE: 1694800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1694800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1694800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1694800 0 0 0 0 0 0 0 0 0 TIMING: 1694800 CPU: 6775.74, 0.00395002/step Wall: 6775.74, 0.00395002/step, 0.883487 hours remaining, 114.421875 MB of memory in use. ENERGY: 1694800 621.9040 1853.8673 1951.2165 109.2596 -0.1549 -1055.5930 0.0000 0.0000 2691.7471 6172.2466 297.3110 3480.4995 6206.5603 298.2561 PRESSURE: 1695000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1695000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1695000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1695000 0 0 0 0 0 0 0 0 0 TIMING: 1695000 CPU: 6776.53, 0.00394969/step Wall: 6776.53, 0.00394969/step, 0.883196 hours remaining, 114.421875 MB of memory in use. ENERGY: 1695000 689.3552 1835.2791 1947.6419 116.1066 2.1208 -1090.6478 0.0000 0.0000 2652.6237 6152.4796 292.9897 3499.8559 6184.7974 296.9491 PRESSURE: 1695200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1695200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1695200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1695200 0 0 0 0 0 0 0 0 0 TIMING: 1695200 CPU: 6777.32, 0.00394907/step Wall: 6777.32, 0.00394907/step, 0.882838 hours remaining, 114.421875 MB of memory in use. ENERGY: 1695200 635.3817 1805.9400 2000.5936 118.6569 0.1313 -1046.9030 0.0000 0.0000 2668.1027 6181.9031 294.6994 3513.8004 6212.4745 298.0051 PRESSURE: 1695400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1695400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1695400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1695400 0 0 0 0 0 0 0 0 0 TIMING: 1695400 CPU: 6778.11, 0.00395083/step Wall: 6778.11, 0.00395083/step, 0.883011 hours remaining, 114.421875 MB of memory in use. ENERGY: 1695400 626.5835 1827.4872 1975.9968 110.1630 1.8137 -1083.8354 0.0000 0.0000 2717.8372 6176.0461 300.1927 3458.2089 6207.3488 297.4092 PRESSURE: 1695600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1695600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1695600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1695600 0 0 0 0 0 0 0 0 0 TIMING: 1695600 CPU: 6778.9, 0.00394601/step Wall: 6778.9, 0.00394601/step, 0.881713 hours remaining, 114.421875 MB of memory in use. ENERGY: 1695600 650.5921 1853.9791 1998.7331 90.3078 1.1780 -1081.8178 0.0000 0.0000 2745.4725 6258.4448 303.2451 3512.9723 6292.0018 301.5758 PRESSURE: 1695800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1695800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1695800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1695800 0 0 0 0 0 0 0 0 0 TIMING: 1695800 CPU: 6779.69, 0.00394978/step Wall: 6779.69, 0.00394979/step, 0.882338 hours remaining, 114.421875 MB of memory in use. ENERGY: 1695800 645.8950 1846.8503 1989.9135 118.2188 1.4504 -1108.7463 0.0000 0.0000 2728.1971 6221.7787 301.3370 3493.5817 6254.5402 301.2476 PRESSURE: 1696000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1696000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1696000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1696000 0 0 0 0 0 0 0 0 0 TIMING: 1696000 CPU: 6780.48, 0.00394861/step Wall: 6780.48, 0.00394861/step, 0.881856 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1696000 669.9141 1847.4766 1958.2361 105.1675 0.1928 -1061.5032 0.0000 0.0000 2666.8310 6186.3149 294.5589 3519.4839 6219.3171 298.2258 PRESSURE: 1696200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1696200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1696200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1696200 0 0 0 0 0 0 0 0 0 TIMING: 1696200 CPU: 6781.27, 0.00394951/step Wall: 6781.27, 0.00394951/step, 0.881838 hours remaining, 114.421875 MB of memory in use. ENERGY: 1696200 635.2938 1835.4914 1964.3680 100.5731 0.9075 -1071.3553 0.0000 0.0000 2732.3623 6197.6407 301.7970 3465.2785 6234.1017 295.8040 LDB: ============= START OF LOAD BALANCING ============== 6784.23 LDB: ============== END OF LOAD BALANCING =============== 6784.23 LDB: =============== DONE WITH MIGRATION ================ 6784.23 LDB: ============= START OF LOAD BALANCING ============== 6784.62 LDB: ============== END OF LOAD BALANCING =============== 6784.62 LDB: =============== DONE WITH MIGRATION ================ 6784.62 PRESSURE: 1696400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1696400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1696400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1696400 0 0 0 0 0 0 0 0 0 TIMING: 1696400 CPU: 6782.06, 0.00395206/step Wall: 6782.06, 0.00395206/step, 0.882188 hours remaining, 114.421875 MB of memory in use. ENERGY: 1696400 621.2835 1849.3797 1966.8344 104.7004 1.8487 -1088.9079 0.0000 0.0000 2719.9558 6175.0945 300.4267 3455.1387 6208.6489 297.6025 PRESSURE: 1696600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1696600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1696600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1696600 0 0 0 0 0 0 0 0 0 TIMING: 1696600 CPU: 6782.85, 0.00394697/step Wall: 6782.85, 0.00394697/step, 0.880832 hours remaining, 114.421875 MB of memory in use. ENERGY: 1696600 686.3255 1786.2405 1965.8083 114.7754 1.4666 -1055.9992 0.0000 0.0000 2724.4154 6223.0325 300.9193 3498.6171 6258.2012 300.3689 PRESSURE: 1696800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1696800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1696800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1696800 0 0 0 0 0 0 0 0 0 TIMING: 1696800 CPU: 6783.64, 0.00394784/step Wall: 6783.64, 0.00394784/step, 0.880806 hours remaining, 114.421875 MB of memory in use. ENERGY: 1696800 658.3088 1885.2317 1944.7423 126.0375 1.3545 -1028.9443 0.0000 0.0000 2634.7315 6221.4619 291.0134 3586.7305 6252.6292 300.8035 PRESSURE: 1697000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1697000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1697000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1697000 0 0 0 0 0 0 0 0 0 TIMING: 1697000 CPU: 6784.43, 0.00394876/step Wall: 6784.43, 0.00394875/step, 0.880792 hours remaining, 114.421875 MB of memory in use. ENERGY: 1697000 659.0647 1848.0355 1978.7458 116.8693 3.1332 -1082.2357 0.0000 0.0000 2711.5625 6235.1754 299.4996 3523.6129 6269.4918 300.0708 PRESSURE: 1697200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1697200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1697200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1697200 0 0 0 0 0 0 0 0 0 TIMING: 1697200 CPU: 6785.22, 0.00394882/step Wall: 6785.22, 0.00394881/step, 0.880586 hours remaining, 114.421875 MB of memory in use. ENERGY: 1697200 650.1250 1875.0346 1964.3024 103.2565 1.4267 -1088.6309 0.0000 0.0000 2742.0939 6247.6082 302.8719 3505.5144 6283.7554 302.8674 PRESSURE: 1697400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1697400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1697400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1697400 0 0 0 0 0 0 0 0 0 TIMING: 1697400 CPU: 6786.01, 0.00394511/step Wall: 6786.01, 0.00394512/step, 0.879542 hours remaining, 114.421875 MB of memory in use. ENERGY: 1697400 686.0040 1861.9244 1949.8556 111.5004 1.0705 -1044.9457 0.0000 0.0000 2702.6179 6268.0271 298.5117 3565.4091 6296.7022 303.5016 PRESSURE: 1697600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1697600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1697600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1697600 0 0 0 0 0 0 0 0 0 TIMING: 1697600 CPU: 6786.8, 0.00394822/step Wall: 6786.8, 0.00394822/step, 0.880015 hours remaining, 114.421875 MB of memory in use. ENERGY: 1697600 643.2387 1880.5097 1973.2046 104.5931 1.5784 -1077.4671 0.0000 0.0000 2729.1207 6254.7782 301.4390 3525.6575 6290.2503 301.9061 PRESSURE: 1697800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1697800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1697800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1697800 0 0 0 0 0 0 0 0 0 TIMING: 1697800 CPU: 6787.59, 0.00394848/step Wall: 6787.59, 0.00394848/step, 0.879853 hours remaining, 114.421875 MB of memory in use. ENERGY: 1697800 693.5648 1797.0706 1954.5313 110.7107 1.4726 -1085.5295 0.0000 0.0000 2808.7495 6280.5700 310.2342 3471.8205 6315.0814 302.5851 PRESSURE: 1698000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1698000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1698000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1698000 0 0 0 0 0 0 0 0 0 TIMING: 1698000 CPU: 6788.38, 0.00394819/step Wall: 6788.38, 0.00394819/step, 0.879569 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1698000 652.8750 1869.9703 1965.1942 108.1531 1.9562 -1079.6615 0.0000 0.0000 2733.5783 6252.0657 301.9313 3518.4874 6284.5817 303.5328 PRESSURE: 1698200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1698200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1698200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1698200 0 0 0 0 0 0 0 0 0 TIMING: 1698200 CPU: 6789.17, 0.00394763/step Wall: 6789.17, 0.00394763/step, 0.879225 hours remaining, 114.421875 MB of memory in use. ENERGY: 1698200 678.3707 1866.6042 1952.0437 100.0710 1.4872 -1097.7704 0.0000 0.0000 2753.0808 6253.8872 304.0854 3500.8064 6287.3001 302.4179 PRESSURE: 1698400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1698400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1698400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1698400 0 0 0 0 0 0 0 0 0 TIMING: 1698400 CPU: 6789.96, 0.00394632/step Wall: 6789.96, 0.00394632/step, 0.878713 hours remaining, 114.421875 MB of memory in use. ENERGY: 1698400 669.4857 1898.9498 1964.6659 123.8969 1.7440 -1110.3728 0.0000 0.0000 2715.5060 6263.8757 299.9352 3548.3697 6296.1657 302.5790 PRESSURE: 1698600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1698600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1698600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1698600 0 0 0 0 0 0 0 0 0 TIMING: 1698600 CPU: 6790.75, 0.00394828/step Wall: 6790.75, 0.00394828/step, 0.878931 hours remaining, 114.421875 MB of memory in use. ENERGY: 1698600 655.6333 1855.2820 1961.7774 114.7781 1.5478 -1105.6077 0.0000 0.0000 2749.0302 6232.4410 303.6380 3483.4109 6265.3262 301.7018 PRESSURE: 1698800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1698800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1698800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1698800 0 0 0 0 0 0 0 0 0 TIMING: 1698800 CPU: 6791.54, 0.00395235/step Wall: 6791.54, 0.00395235/step, 0.879618 hours remaining, 114.421875 MB of memory in use. ENERGY: 1698800 643.1403 1810.5061 2005.2540 113.8875 1.3027 -1085.1781 0.0000 0.0000 2701.5307 6190.4431 298.3916 3488.9124 6227.7496 299.5466 PRESSURE: 1699000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1699000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1699000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1699000 0 0 0 0 0 0 0 0 0 TIMING: 1699000 CPU: 6792.33, 0.00394839/step Wall: 6792.33, 0.00394839/step, 0.878518 hours remaining, 114.421875 MB of memory in use. ENERGY: 1699000 660.1804 1884.1667 1955.5317 96.2406 2.0017 -1152.0581 0.0000 0.0000 2781.8895 6227.9524 307.2674 3446.0630 6262.3908 298.0692 PRESSURE: 1699200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1699200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1699200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1699200 0 0 0 0 0 0 0 0 0 TIMING: 1699200 CPU: 6793.11, 0.00394781/step Wall: 6793.11, 0.00394781/step, 0.878168 hours remaining, 114.421875 MB of memory in use. ENERGY: 1699200 670.7169 1845.3181 1943.3433 92.5223 0.4384 -1099.1841 0.0000 0.0000 2666.0124 6119.1673 294.4685 3453.1548 6148.4825 298.0952 PRESSURE: 1699400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1699400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1699400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1699400 0 0 0 0 0 0 0 0 0 TIMING: 1699400 CPU: 6793.9, 0.00394549/step Wall: 6793.9, 0.00394549/step, 0.877432 hours remaining, 114.421875 MB of memory in use. ENERGY: 1699400 659.6532 1840.4036 1935.2163 105.3881 1.4313 -1107.9113 0.0000 0.0000 2663.9116 6098.0927 294.2365 3434.1811 6130.6230 293.8227 PRESSURE: 1699600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1699600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1699600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1699600 0 0 0 0 0 0 0 0 0 TIMING: 1699600 CPU: 6794.69, 0.00394817/step Wall: 6794.69, 0.00394817/step, 0.877809 hours remaining, 114.421875 MB of memory in use. ENERGY: 1699600 628.7039 1836.8340 1954.3858 100.4526 1.0480 -1095.1679 0.0000 0.0000 2707.9705 6134.2270 299.1029 3426.2564 6168.4622 294.8596 PRESSURE: 1699800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1699800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1699800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1699800 0 0 0 0 0 0 0 0 0 TIMING: 1699800 CPU: 6795.48, 0.00394884/step Wall: 6795.48, 0.00394884/step, 0.87774 hours remaining, 114.421875 MB of memory in use. ENERGY: 1699800 631.2752 1853.4329 1953.8973 109.7016 1.5182 -1107.1797 0.0000 0.0000 2693.7876 6136.4330 297.5363 3442.6455 6168.3772 296.0094 PRESSURE: 1700000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1700000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1700000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1700000 0 0 0 0 0 0 0 0 0 TIMING: 1700000 CPU: 6796.27, 0.0039481/step Wall: 6796.27, 0.0039481/step, 0.877356 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1700000 654.9367 1880.5438 1938.0310 111.2207 1.1398 -1090.8077 0.0000 0.0000 2659.9634 6155.0278 293.8004 3495.0643 6187.7890 296.1858 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1700200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1700200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1700200 0 0 0 0 0 0 0 0 0 TIMING: 1700200 CPU: 6797.16, 0.00443082/step Wall: 6797.16, 0.00443082/step, 0.98438 hours remaining, 114.421875 MB of memory in use. ENERGY: 1700200 630.9807 1903.0947 1944.3718 117.0474 0.5315 -1076.4975 0.0000 0.0000 2698.6793 6218.2079 298.0766 3519.5286 6250.8590 298.3161 LDB: ============= START OF LOAD BALANCING ============== 6800.12 LDB: ============== END OF LOAD BALANCING =============== 6800.12 LDB: =============== DONE WITH MIGRATION ================ 6800.12 LDB: ============= START OF LOAD BALANCING ============== 6800.52 LDB: ============== END OF LOAD BALANCING =============== 6800.52 LDB: =============== DONE WITH MIGRATION ================ 6800.52 PRESSURE: 1700400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1700400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1700400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1700400 0 0 0 0 0 0 0 0 0 TIMING: 1700400 CPU: 6797.95, 0.00397406/step Wall: 6797.95, 0.00397406/step, 0.882682 hours remaining, 114.421875 MB of memory in use. ENERGY: 1700400 670.5651 1842.3865 1961.7430 106.4054 0.9365 -1114.2955 0.0000 0.0000 2734.6818 6202.4229 302.0532 3467.7411 6235.0830 299.6147 PRESSURE: 1700600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1700600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1700600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1700600 0 0 0 0 0 0 0 0 0 TIMING: 1700600 CPU: 6798.75, 0.00396218/step Wall: 6798.75, 0.00396218/step, 0.879824 hours remaining, 114.421875 MB of memory in use. ENERGY: 1700600 652.7327 1866.0952 1943.8604 101.2210 1.1876 -1071.7383 0.0000 0.0000 2660.3585 6153.7170 293.8440 3493.3585 6183.4571 296.8617 PRESSURE: 1700800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1700800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1700800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1700800 0 0 0 0 0 0 0 0 0 TIMING: 1700800 CPU: 6799.54, 0.0039636/step Wall: 6799.54, 0.0039636/step, 0.879919 hours remaining, 114.421875 MB of memory in use. ENERGY: 1700800 621.9695 1844.6004 1929.7167 106.1170 2.1225 -1055.2678 0.0000 0.0000 2691.3170 6140.5753 297.2635 3449.2583 6171.1356 297.3120 PRESSURE: 1701000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1701000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1701000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1701000 0 0 0 0 0 0 0 0 0 TIMING: 1701000 CPU: 6800.33, 0.00396343/step Wall: 6800.33, 0.00396343/step, 0.87966 hours remaining, 114.421875 MB of memory in use. ENERGY: 1701000 670.2234 1818.2498 1929.6441 104.6158 0.0760 -1070.7774 0.0000 0.0000 2720.2489 6172.2806 300.4591 3452.0317 6205.6031 297.0083 PRESSURE: 1701200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1701200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1701200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1701200 0 0 0 0 0 0 0 0 0 TIMING: 1701200 CPU: 6801.12, 0.0039651/step Wall: 6801.12, 0.0039651/step, 0.879812 hours remaining, 114.421875 MB of memory in use. ENERGY: 1701200 670.8346 1841.7639 1947.0621 100.6041 2.2024 -1100.0974 0.0000 0.0000 2726.2661 6188.6359 301.1237 3462.3698 6226.3980 297.5615 PRESSURE: 1701400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1701400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1701400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1701400 0 0 0 0 0 0 0 0 0 TIMING: 1701400 CPU: 6801.92, 0.00396156/step Wall: 6801.92, 0.00396156/step, 0.878807 hours remaining, 114.421875 MB of memory in use. ENERGY: 1701400 668.6037 1868.1904 1963.6870 105.9990 0.4332 -1121.4723 0.0000 0.0000 2740.0653 6225.5064 302.6478 3485.4410 6258.0714 300.4058 PRESSURE: 1701600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1701600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1701600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1701600 0 0 0 0 0 0 0 0 0 TIMING: 1701600 CPU: 6802.71, 0.00396363/step Wall: 6802.71, 0.00396363/step, 0.879045 hours remaining, 114.421875 MB of memory in use. ENERGY: 1701600 613.4129 1818.6947 1968.1994 106.7170 1.8984 -1067.4450 0.0000 0.0000 2755.7801 6197.2575 304.3836 3441.4773 6233.9170 300.0348 PRESSURE: 1701800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1701800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1701800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1701800 0 0 0 0 0 0 0 0 0 TIMING: 1701800 CPU: 6803.5, 0.00396327/step Wall: 6803.5, 0.00396327/step, 0.878744 hours remaining, 114.421875 MB of memory in use. ENERGY: 1701800 633.7074 1851.0112 1978.6954 96.6496 0.3560 -1108.8102 0.0000 0.0000 2738.5661 6190.1755 302.4823 3451.6094 6223.5641 298.1643 PRESSURE: 1702000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1702000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1702000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1702000 0 0 0 0 0 0 0 0 0 TIMING: 1702000 CPU: 6804.29, 0.00396206/step Wall: 6804.29, 0.00396206/step, 0.878257 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1702000 659.8030 1830.8337 1948.7812 119.7445 2.0774 -1065.3583 0.0000 0.0000 2713.1259 6209.0075 299.6723 3495.8815 6240.8017 300.6094 PRESSURE: 1702200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1702200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1702200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1702200 0 0 0 0 0 0 0 0 0 TIMING: 1702200 CPU: 6805.09, 0.00396274/step Wall: 6805.09, 0.00396274/step, 0.878187 hours remaining, 114.421875 MB of memory in use. ENERGY: 1702200 607.1617 1780.9043 1956.6443 109.7839 2.9278 -1066.5904 0.0000 0.0000 2776.1782 6167.0098 306.6366 3390.8316 6201.2666 299.2950 PRESSURE: 1702400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1702400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1702400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1702400 0 0 0 0 0 0 0 0 0 TIMING: 1702400 CPU: 6805.88, 0.00396384/step Wall: 6805.88, 0.00396384/step, 0.878212 hours remaining, 114.421875 MB of memory in use. ENERGY: 1702400 674.3335 1817.3891 1976.7647 99.3478 2.4127 -1061.9211 0.0000 0.0000 2675.3349 6183.6616 295.4982 3508.3267 6216.5387 296.1521 PRESSURE: 1702600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1702600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1702600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1702600 0 0 0 0 0 0 0 0 0 TIMING: 1702600 CPU: 6806.67, 0.00396317/step Wall: 6806.67, 0.00396317/step, 0.877843 hours remaining, 114.421875 MB of memory in use. ENERGY: 1702600 619.9456 1807.6604 1977.4889 113.1796 2.0599 -1070.1195 0.0000 0.0000 2735.6154 6185.8304 302.1563 3450.2150 6218.0950 298.3535 PRESSURE: 1702800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1702800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1702800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1702800 0 0 0 0 0 0 0 0 0 TIMING: 1702800 CPU: 6807.47, 0.00396363/step Wall: 6807.47, 0.00396363/step, 0.877725 hours remaining, 114.421875 MB of memory in use. ENERGY: 1702800 663.0862 1868.7642 1973.4794 110.5530 1.0419 -1063.7288 0.0000 0.0000 2660.1474 6213.3433 293.8207 3553.1958 6242.0746 298.0840 PRESSURE: 1703000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1703000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1703000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1703000 0 0 0 0 0 0 0 0 0 TIMING: 1703000 CPU: 6808.26, 0.00396363/step Wall: 6808.26, 0.00396363/step, 0.877505 hours remaining, 114.421875 MB of memory in use. ENERGY: 1703000 649.7348 1854.8940 1967.7478 100.2210 1.9920 -1093.3254 0.0000 0.0000 2692.8550 6174.1192 297.4333 3481.2642 6206.0752 299.2344 PRESSURE: 1703200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1703200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1703200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1703200 0 0 0 0 0 0 0 0 0 TIMING: 1703200 CPU: 6809.05, 0.00396309/step Wall: 6809.05, 0.00396309/step, 0.877164 hours remaining, 114.421875 MB of memory in use. ENERGY: 1703200 663.5465 1795.8376 1991.1279 105.2878 1.2215 -1098.4473 0.0000 0.0000 2703.1572 6161.7311 298.5712 3458.5739 6198.9600 298.0357 PRESSURE: 1703400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1703400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1703400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1703400 0 0 0 0 0 0 0 0 0 TIMING: 1703400 CPU: 6809.84, 0.00396302/step Wall: 6809.84, 0.00396302/step, 0.876929 hours remaining, 114.421875 MB of memory in use. ENERGY: 1703400 657.4069 1863.4096 1984.2368 102.7912 1.7503 -1116.1310 0.0000 0.0000 2689.4183 6182.8821 297.0537 3493.4638 6213.9606 299.0503 PRESSURE: 1703600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1703600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1703600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1703600 0 0 0 0 0 0 0 0 0 TIMING: 1703600 CPU: 6810.64, 0.00396302/step Wall: 6810.64, 0.00396302/step, 0.876707 hours remaining, 114.421875 MB of memory in use. ENERGY: 1703600 639.0307 1844.3413 1968.7486 106.5003 1.7515 -1075.0149 0.0000 0.0000 2683.6774 6169.0349 296.4196 3485.3575 6201.0904 298.2256 PRESSURE: 1703800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1703800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1703800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1703800 0 0 0 0 0 0 0 0 0 TIMING: 1703800 CPU: 6811.43, 0.00396338/step Wall: 6811.43, 0.00396338/step, 0.876566 hours remaining, 114.421875 MB of memory in use. ENERGY: 1703800 632.7694 1832.3064 1964.9262 107.1749 1.5327 -1071.6959 0.0000 0.0000 2671.6049 6138.6185 295.0862 3467.0137 6172.0031 297.7428 PRESSURE: 1704000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1704000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1704000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1704000 0 0 0 0 0 0 0 0 0 TIMING: 1704000 CPU: 6812.22, 0.00396326/step Wall: 6812.22, 0.00396326/step, 0.876321 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1704000 646.1089 1835.2610 1954.4517 101.7294 0.8593 -1063.4752 0.0000 0.0000 2676.1471 6151.0822 295.5879 3474.9351 6183.9256 296.3839 PRESSURE: 1704200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1704200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1704200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1704200 0 0 0 0 0 0 0 0 0 TIMING: 1704200 CPU: 6813.01, 0.00396108/step Wall: 6813.01, 0.00396108/step, 0.875619 hours remaining, 114.421875 MB of memory in use. ENERGY: 1704200 633.8379 1841.8293 1984.9147 97.4374 0.8772 -1036.2044 0.0000 0.0000 2675.6213 6198.3135 295.5298 3522.6922 6231.3888 298.1771 LDB: ============= START OF LOAD BALANCING ============== 6815.97 LDB: ============== END OF LOAD BALANCING =============== 6815.97 LDB: =============== DONE WITH MIGRATION ================ 6815.97 LDB: ============= START OF LOAD BALANCING ============== 6816.37 LDB: ============== END OF LOAD BALANCING =============== 6816.37 LDB: =============== DONE WITH MIGRATION ================ 6816.37 PRESSURE: 1704400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1704400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1704400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1704400 0 0 0 0 0 0 0 0 0 TIMING: 1704400 CPU: 6813.81, 0.00396612/step Wall: 6813.81, 0.00396612/step, 0.876512 hours remaining, 114.421875 MB of memory in use. ENERGY: 1704400 647.8269 1853.0272 1974.2557 125.1981 2.2305 -1055.4415 0.0000 0.0000 2675.7872 6222.8840 295.5481 3547.0969 6253.4316 298.4405 PRESSURE: 1704600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1704600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1704600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1704600 0 0 0 0 0 0 0 0 0 TIMING: 1704600 CPU: 6814.6, 0.00396111/step Wall: 6814.6, 0.00396111/step, 0.875186 hours remaining, 114.421875 MB of memory in use. ENERGY: 1704600 664.7571 1812.6021 1965.0178 115.8440 2.3480 -1084.5364 0.0000 0.0000 2724.6340 6200.6666 300.9434 3476.0326 6235.8813 300.2452 PRESSURE: 1704800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1704800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1704800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1704800 0 0 0 0 0 0 0 0 0 TIMING: 1704800 CPU: 6815.39, 0.00396294/step Wall: 6815.39, 0.00396294/step, 0.87537 hours remaining, 114.421875 MB of memory in use. ENERGY: 1704800 698.3888 1834.2728 1926.5436 119.6026 1.6620 -1058.9001 0.0000 0.0000 2655.0086 6176.5785 293.2531 3521.5698 6206.5605 298.7493 PRESSURE: 1705000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1705000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1705000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1705000 0 0 0 0 0 0 0 0 0 TIMING: 1705000 CPU: 6816.18, 0.00396655/step Wall: 6816.18, 0.00396655/step, 0.875947 hours remaining, 114.421875 MB of memory in use. ENERGY: 1705000 658.9349 1827.8553 1966.8921 117.3245 1.9810 -1068.5540 0.0000 0.0000 2679.9485 6184.3823 296.0078 3504.4338 6218.2340 297.8536 PRESSURE: 1705200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1705200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1705200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1705200 0 0 0 0 0 0 0 0 0 TIMING: 1705200 CPU: 6816.98, 0.00396325/step Wall: 6816.98, 0.00396325/step, 0.874999 hours remaining, 114.421875 MB of memory in use. ENERGY: 1705200 645.7104 1876.8535 1974.2641 108.6425 2.2116 -1080.2127 0.0000 0.0000 2699.0459 6226.5153 298.1171 3527.4695 6257.8634 299.8191 PRESSURE: 1705400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1705400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1705400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1705400 0 0 0 0 0 0 0 0 0 TIMING: 1705400 CPU: 6817.77, 0.0039648/step Wall: 6817.77, 0.0039648/step, 0.87512 hours remaining, 114.421875 MB of memory in use. ENERGY: 1705400 648.9226 1820.8767 1969.6565 92.8127 3.5207 -1068.1076 0.0000 0.0000 2686.7546 6154.4362 296.7595 3467.6815 6184.7596 299.4140 PRESSURE: 1705600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1705600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1705600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1705600 0 0 0 0 0 0 0 0 0 TIMING: 1705600 CPU: 6818.57, 0.00397454/step Wall: 6818.57, 0.00397454/step, 0.877047 hours remaining, 114.421875 MB of memory in use. ENERGY: 1705600 639.6126 1902.0190 1978.0223 92.9891 4.1386 -1097.8219 0.0000 0.0000 2658.7340 6177.6938 293.6646 3518.9598 6208.8459 297.7126 PRESSURE: 1705800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1705800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1705800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1705800 0 0 0 0 0 0 0 0 0 TIMING: 1705800 CPU: 6819.36, 0.00396297/step Wall: 6819.36, 0.00396297/step, 0.874274 hours remaining, 114.421875 MB of memory in use. ENERGY: 1705800 667.5513 1848.8020 1988.6894 109.8054 2.2790 -1094.3186 0.0000 0.0000 2729.3001 6252.1087 301.4588 3522.8086 6284.0951 301.1201 PRESSURE: 1706000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1706000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1706000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1706000 0 0 0 0 0 0 0 0 0 TIMING: 1706000 CPU: 6820.15, 0.00396188/step Wall: 6820.15, 0.00396188/step, 0.873816 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1706000 657.5310 1825.1458 1969.1792 107.1583 2.1714 -1058.8161 0.0000 0.0000 2724.7114 6227.0810 300.9520 3502.3696 6260.8394 301.2525 PRESSURE: 1706200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1706200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1706200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1706200 0 0 0 0 0 0 0 0 0 TIMING: 1706200 CPU: 6820.94, 0.00396132/step Wall: 6820.94, 0.00396132/step, 0.873471 hours remaining, 114.421875 MB of memory in use. ENERGY: 1706200 674.3930 1801.6545 1985.3089 115.3381 1.9386 -1048.3893 0.0000 0.0000 2657.1446 6187.3884 293.4890 3530.2437 6219.0616 298.0795 PRESSURE: 1706400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1706400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1706400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1706400 0 0 0 0 0 0 0 0 0 TIMING: 1706400 CPU: 6821.74, 0.00396376/step Wall: 6821.74, 0.00396376/step, 0.873789 hours remaining, 114.421875 MB of memory in use. ENERGY: 1706400 647.2094 1814.8894 1968.3123 116.6693 1.4448 -1065.5610 0.0000 0.0000 2724.6481 6207.6124 300.9450 3482.9643 6240.9457 298.9135 PRESSURE: 1706600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1706600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1706600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1706600 0 0 0 0 0 0 0 0 0 TIMING: 1706600 CPU: 6822.53, 0.00396322/step Wall: 6822.53, 0.00396322/step, 0.873449 hours remaining, 114.421875 MB of memory in use. ENERGY: 1706600 644.4172 1839.8411 1984.6368 96.9295 2.4157 -1088.7214 0.0000 0.0000 2679.7492 6159.2682 295.9858 3479.5189 6193.9580 297.6691 PRESSURE: 1706800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1706800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1706800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1706800 0 0 0 0 0 0 0 0 0 TIMING: 1706800 CPU: 6823.32, 0.00396358/step Wall: 6823.32, 0.00396358/step, 0.87331 hours remaining, 114.421875 MB of memory in use. ENERGY: 1706800 677.2357 1768.7376 1975.0972 96.2571 1.9657 -1055.1532 0.0000 0.0000 2699.9704 6164.1105 298.2192 3464.1401 6194.9938 297.0592 PRESSURE: 1707000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1707000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1707000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1707000 0 0 0 0 0 0 0 0 0 TIMING: 1707000 CPU: 6824.11, 0.00395936/step Wall: 6824.11, 0.00395936/step, 0.872158 hours remaining, 114.421875 MB of memory in use. ENERGY: 1707000 664.5440 1791.1191 1985.8049 124.6205 1.7802 -1093.9942 0.0000 0.0000 2698.1595 6172.0341 298.0192 3473.8745 6202.7169 297.7610 PRESSURE: 1707200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1707200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1707200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1707200 0 0 0 0 0 0 0 0 0 TIMING: 1707200 CPU: 6824.91, 0.00396714/step Wall: 6824.91, 0.00396714/step, 0.873653 hours remaining, 114.421875 MB of memory in use. ENERGY: 1707200 675.8403 1817.7081 1990.4444 118.1031 1.6329 -1077.9897 0.0000 0.0000 2698.7222 6224.4612 298.0814 3525.7390 6256.3459 299.4245 PRESSURE: 1707400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1707400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1707400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1707400 0 0 0 0 0 0 0 0 0 TIMING: 1707400 CPU: 6825.7, 0.00395486/step Wall: 6825.7, 0.00395486/step, 0.870729 hours remaining, 114.421875 MB of memory in use. ENERGY: 1707400 658.7833 1796.9479 1958.8142 134.1196 1.1222 -1051.8751 0.0000 0.0000 2766.7141 6264.6263 305.5913 3497.9122 6301.3900 302.1999 PRESSURE: 1707600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1707600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1707600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1707600 0 0 0 0 0 0 0 0 0 TIMING: 1707600 CPU: 6826.49, 0.00395493/step Wall: 6826.49, 0.00395493/step, 0.870523 hours remaining, 114.421875 MB of memory in use. ENERGY: 1707600 657.7467 1881.1600 1952.0238 111.6342 0.6394 -1078.9021 0.0000 0.0000 2735.3808 6259.6828 302.1304 3524.3020 6292.1395 302.4147 PRESSURE: 1707800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1707800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1707800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1707800 0 0 0 0 0 0 0 0 0 TIMING: 1707800 CPU: 6827.28, 0.00395286/step Wall: 6827.28, 0.00395286/step, 0.86985 hours remaining, 114.421875 MB of memory in use. ENERGY: 1707800 666.0613 1846.5021 1959.8516 103.6710 0.8589 -1053.0844 0.0000 0.0000 2774.9066 6298.7672 306.4962 3523.8605 6332.6189 303.8811 PRESSURE: 1708000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1708000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1708000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1708000 0 0 0 0 0 0 0 0 0 TIMING: 1708000 CPU: 6828.07, 0.00395128/step Wall: 6828.07, 0.00395128/step, 0.869281 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1708000 670.9263 1854.9052 1982.7019 112.0206 2.1536 -1063.2980 0.0000 0.0000 2765.4928 6324.9024 305.4564 3559.4096 6360.3730 306.3367 PRESSURE: 1708200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1708200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1708200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1708200 0 0 0 0 0 0 0 0 0 TIMING: 1708200 CPU: 6828.86, 0.003952/step Wall: 6828.86, 0.003952/step, 0.869219 hours remaining, 114.421875 MB of memory in use. ENERGY: 1708200 693.7907 1857.2146 1949.7909 121.5246 2.2982 -1071.9882 0.0000 0.0000 2736.9352 6289.5660 302.3021 3552.6308 6323.3501 305.1913 LDB: ============= START OF LOAD BALANCING ============== 6831.82 LDB: ============== END OF LOAD BALANCING =============== 6831.82 LDB: =============== DONE WITH MIGRATION ================ 6831.82 LDB: ============= START OF LOAD BALANCING ============== 6832.21 LDB: ============== END OF LOAD BALANCING =============== 6832.21 LDB: =============== DONE WITH MIGRATION ================ 6832.22 PRESSURE: 1708400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1708400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1708400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1708400 0 0 0 0 0 0 0 0 0 TIMING: 1708400 CPU: 6829.65, 0.00395753/step Wall: 6829.65, 0.00395753/step, 0.870217 hours remaining, 114.421875 MB of memory in use. ENERGY: 1708400 620.1790 1878.7474 1982.8147 111.4725 1.5963 -1072.6111 0.0000 0.0000 2735.7047 6257.9035 302.1662 3522.1988 6292.9204 304.5070 PRESSURE: 1708600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1708600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1708600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1708600 0 0 0 0 0 0 0 0 0 TIMING: 1708600 CPU: 6830.44, 0.003951/step Wall: 6830.44, 0.003951/step, 0.86856 hours remaining, 114.421875 MB of memory in use. ENERGY: 1708600 627.3951 1867.6323 1973.6830 110.5926 2.1802 -1086.2525 0.0000 0.0000 2757.6876 6252.9184 304.5943 3495.2308 6284.9277 301.7858 PRESSURE: 1708800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1708800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1708800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1708800 0 0 0 0 0 0 0 0 0 TIMING: 1708800 CPU: 6831.23, 0.00395527/step Wall: 6831.23, 0.00395527/step, 0.869282 hours remaining, 114.421875 MB of memory in use. ENERGY: 1708800 653.6523 1941.7447 1947.9908 101.9991 2.4205 -1072.9909 0.0000 0.0000 2703.4164 6278.2329 298.5999 3574.8165 6308.5068 301.3150 PRESSURE: 1709000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1709000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1709000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1709000 0 0 0 0 0 0 0 0 0 TIMING: 1709000 CPU: 6832.02, 0.00394903/step Wall: 6832.02, 0.00394903/step, 0.867689 hours remaining, 114.421875 MB of memory in use. ENERGY: 1709000 620.7089 1868.2640 1983.4271 103.4000 1.4905 -1037.9721 0.0000 0.0000 2695.7061 6235.0246 297.7483 3539.3185 6268.3787 302.4643 PRESSURE: 1709200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1709200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1709200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1709200 0 0 0 0 0 0 0 0 0 TIMING: 1709200 CPU: 6832.81, 0.00395004/step Wall: 6832.81, 0.00395004/step, 0.867692 hours remaining, 114.421875 MB of memory in use. ENERGY: 1709200 686.5369 1837.0365 1966.4592 112.7822 1.2296 -1104.3428 0.0000 0.0000 2724.3181 6224.0195 300.9085 3499.7015 6256.6174 301.2858 PRESSURE: 1709400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1709400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1709400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1709400 0 0 0 0 0 0 0 0 0 TIMING: 1709400 CPU: 6833.6, 0.00395055/step Wall: 6833.6, 0.00395055/step, 0.867584 hours remaining, 114.421875 MB of memory in use. ENERGY: 1709400 683.9244 1889.6122 1961.8303 101.8895 1.6968 -1089.1731 0.0000 0.0000 2660.1854 6209.9656 293.8249 3549.7802 6239.4271 300.2203 PRESSURE: 1709600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1709600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1709600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1709600 0 0 0 0 0 0 0 0 0 TIMING: 1709600 CPU: 6834.39, 0.00395109/step Wall: 6834.39, 0.00395109/step, 0.867485 hours remaining, 114.421875 MB of memory in use. ENERGY: 1709600 646.0789 1791.4386 1972.2032 102.1204 1.4253 -1090.2356 0.0000 0.0000 2738.0770 6161.1079 302.4282 3423.0309 6195.7774 300.9692 PRESSURE: 1709800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1709800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1709800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1709800 0 0 0 0 0 0 0 0 0 TIMING: 1709800 CPU: 6835.18, 0.00395085/step Wall: 6835.18, 0.00395084/step, 0.867209 hours remaining, 114.421875 MB of memory in use. ENERGY: 1709800 621.7831 1778.9929 1986.6554 110.8741 1.3069 -1036.1254 0.0000 0.0000 2729.0584 6192.5455 301.4321 3463.4871 6226.0218 299.8564 PRESSURE: 1710000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1710000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1710000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1710000 0 0 0 0 0 0 0 0 0 TIMING: 1710000 CPU: 6835.97, 0.00396174/step Wall: 6835.97, 0.00396174/step, 0.869382 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1710000 640.4091 1874.6310 1955.9093 103.4714 1.5823 -1088.9500 0.0000 0.0000 2690.9639 6178.0171 297.2245 3487.0532 6210.0744 299.3663 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1710000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1710000 WRITING COORDINATES TO RESTART FILE AT STEP 1710000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1710000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1710200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1710200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1710200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1710200 0 0 0 0 0 0 0 0 0 TIMING: 1710200 CPU: 6836.88, 0.0045197/step Wall: 6836.88, 0.0045197/step, 0.991573 hours remaining, 114.421875 MB of memory in use. ENERGY: 1710200 672.2652 1826.6907 1944.5517 108.4884 1.6544 -1068.5648 0.0000 0.0000 2668.3549 6153.4406 294.7272 3485.0857 6186.5777 296.7581 PRESSURE: 1710400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1710400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1710400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1710400 0 0 0 0 0 0 0 0 0 TIMING: 1710400 CPU: 6837.67, 0.00395811/step Wall: 6837.67, 0.00395811/step, 0.868146 hours remaining, 114.421875 MB of memory in use. ENERGY: 1710400 632.5306 1827.0947 1986.0945 109.2916 2.5116 -1129.5177 0.0000 0.0000 2755.4658 6183.4711 304.3489 3428.0053 6218.1011 297.7280 PRESSURE: 1710600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1710600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1710600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1710600 0 0 0 0 0 0 0 0 0 TIMING: 1710600 CPU: 6838.46, 0.00394933/step Wall: 6838.46, 0.00394933/step, 0.865999 hours remaining, 114.421875 MB of memory in use. ENERGY: 1710600 635.1945 1773.3995 1950.0055 110.9812 2.7415 -1038.1274 0.0000 0.0000 2734.8080 6169.0030 302.0672 3434.1949 6199.1158 296.9195 PRESSURE: 1710800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1710800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1710800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1710800 0 0 0 0 0 0 0 0 0 TIMING: 1710800 CPU: 6839.25, 0.00394967/step Wall: 6839.25, 0.00394967/step, 0.865855 hours remaining, 114.421875 MB of memory in use. ENERGY: 1710800 645.7031 1811.0712 1957.1906 114.2955 2.8290 -1054.2695 0.0000 0.0000 2723.2526 6200.0724 300.7908 3476.8198 6232.5704 297.9017 PRESSURE: 1711000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1711000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1711000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1711000 0 0 0 0 0 0 0 0 0 TIMING: 1711000 CPU: 6840.04, 0.00394764/step Wall: 6840.04, 0.00394764/step, 0.865192 hours remaining, 114.421875 MB of memory in use. ENERGY: 1711000 646.0322 1872.3159 1948.3612 114.8003 1.8148 -1087.6969 0.0000 0.0000 2766.0416 6261.6694 305.5170 3495.6277 6294.7856 301.5816 PRESSURE: 1711200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1711200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1711200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1711200 0 0 0 0 0 0 0 0 0 TIMING: 1711200 CPU: 6840.83, 0.00394989/step Wall: 6840.83, 0.00394989/step, 0.865465 hours remaining, 114.421875 MB of memory in use. ENERGY: 1711200 675.5700 1847.2556 1991.9111 108.9493 3.2502 -1108.8592 0.0000 0.0000 2739.6207 6257.6978 302.5987 3518.0771 6292.7468 302.9834 PRESSURE: 1711400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1711400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1711400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1711400 0 0 0 0 0 0 0 0 0 TIMING: 1711400 CPU: 6841.62, 0.0039516/step Wall: 6841.62, 0.0039516/step, 0.86562 hours remaining, 114.421875 MB of memory in use. ENERGY: 1711400 642.4624 1831.5938 1987.5807 105.6769 2.0495 -1081.9521 0.0000 0.0000 2772.6755 6260.0868 306.2497 3487.4113 6295.8270 301.8420 PRESSURE: 1711600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1711600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1711600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1711600 0 0 0 0 0 0 0 0 0 TIMING: 1711600 CPU: 6842.41, 0.00395058/step Wall: 6842.41, 0.00395058/step, 0.865177 hours remaining, 114.421875 MB of memory in use. ENERGY: 1711600 651.3023 1866.0781 1982.2441 106.9854 3.3212 -1070.4447 0.0000 0.0000 2605.7579 6145.2442 287.8132 3539.4864 6175.8626 299.8292 PRESSURE: 1711800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1711800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1711800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1711800 0 0 0 0 0 0 0 0 0 TIMING: 1711800 CPU: 6843.2, 0.00394866/step Wall: 6843.2, 0.00394866/step, 0.864536 hours remaining, 114.421875 MB of memory in use. ENERGY: 1711800 650.9284 1883.7795 1942.3324 105.3039 1.6944 -1081.9278 0.0000 0.0000 2684.4816 6186.5925 296.5085 3502.1109 6214.5531 296.8707 PRESSURE: 1712000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1712000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1712000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1712000 0 0 0 0 0 0 0 0 0 TIMING: 1712000 CPU: 6843.99, 0.00395057/step Wall: 6843.99, 0.00395057/step, 0.864736 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1712000 664.8296 1853.1713 1975.8727 104.4603 1.1546 -1099.9188 0.0000 0.0000 2715.8422 6215.4119 299.9723 3499.5698 6246.9566 299.1681 PRESSURE: 1712200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1712200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1712200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1712200 0 0 0 0 0 0 0 0 0 TIMING: 1712200 CPU: 6844.78, 0.00395033/step Wall: 6844.78, 0.00395033/step, 0.864464 hours remaining, 114.421875 MB of memory in use. ENERGY: 1712200 619.3550 1847.1800 1948.5812 119.3438 0.5340 -1016.8840 0.0000 0.0000 2699.4375 6217.5474 298.1604 3518.1100 6248.4372 297.5137 LDB: ============= START OF LOAD BALANCING ============== 6847.74 LDB: ============== END OF LOAD BALANCING =============== 6847.74 LDB: =============== DONE WITH MIGRATION ================ 6847.74 LDB: ============= START OF LOAD BALANCING ============== 6848.14 LDB: ============== END OF LOAD BALANCING =============== 6848.14 LDB: =============== DONE WITH MIGRATION ================ 6848.14 PRESSURE: 1712400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1712400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1712400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1712400 0 0 0 0 0 0 0 0 0 TIMING: 1712400 CPU: 6845.57, 0.00395501/step Wall: 6845.57, 0.00395501/step, 0.865269 hours remaining, 114.421875 MB of memory in use. ENERGY: 1712400 628.3804 1854.6948 1959.0065 104.8876 2.3886 -1088.0815 0.0000 0.0000 2740.1476 6201.4239 302.6569 3461.2763 6237.2717 298.9162 PRESSURE: 1712600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1712600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1712600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1712600 0 0 0 0 0 0 0 0 0 TIMING: 1712600 CPU: 6846.36, 0.00395164/step Wall: 6846.36, 0.00395164/step, 0.864312 hours remaining, 114.421875 MB of memory in use. ENERGY: 1712600 648.2422 1892.7109 1969.6368 98.8757 2.2708 -1029.8326 0.0000 0.0000 2690.0562 6271.9602 297.1242 3581.9040 6303.1521 300.0502 PRESSURE: 1712800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1712800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1712800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1712800 0 0 0 0 0 0 0 0 0 TIMING: 1712800 CPU: 6847.15, 0.00394936/step Wall: 6847.15, 0.00394936/step, 0.863594 hours remaining, 114.421875 MB of memory in use. ENERGY: 1712800 697.3248 1872.6736 1989.2655 116.1352 2.1056 -1068.9158 0.0000 0.0000 2718.3725 6326.9614 300.2518 3608.5889 6357.8376 303.9784 PRESSURE: 1713000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1713000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1713000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1713000 0 0 0 0 0 0 0 0 0 TIMING: 1713000 CPU: 6847.94, 0.00395024/step Wall: 6847.94, 0.00395024/step, 0.863567 hours remaining, 114.421875 MB of memory in use. ENERGY: 1713000 643.4419 1872.8975 1993.4553 108.6620 3.0463 -1064.6506 0.0000 0.0000 2723.4676 6280.3199 300.8146 3556.8524 6309.1041 303.7003 PRESSURE: 1713200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1713200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1713200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1713200 0 0 0 0 0 0 0 0 0 TIMING: 1713200 CPU: 6848.73, 0.00395012/step Wall: 6848.73, 0.00395012/step, 0.863322 hours remaining, 114.421875 MB of memory in use. ENERGY: 1713200 645.2681 1832.2151 2000.4062 107.5976 1.9944 -1109.4037 0.0000 0.0000 2773.3762 6251.4540 306.3271 3478.0777 6286.4106 301.0496 PRESSURE: 1713400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1713400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1713400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1713400 0 0 0 0 0 0 0 0 0 TIMING: 1713400 CPU: 6849.52, 0.00395116/step Wall: 6849.52, 0.00395116/step, 0.863328 hours remaining, 114.421875 MB of memory in use. ENERGY: 1713400 667.3873 1809.2734 1968.9652 135.4124 1.7584 -1064.5757 0.0000 0.0000 2685.8940 6204.1148 296.6645 3518.2209 6236.0841 301.7972 PRESSURE: 1713600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1713600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1713600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1713600 0 0 0 0 0 0 0 0 0 TIMING: 1713600 CPU: 6850.31, 0.00395017/step Wall: 6850.31, 0.00395017/step, 0.862892 hours remaining, 114.421875 MB of memory in use. ENERGY: 1713600 710.5891 1835.3571 1930.5851 106.5358 1.9241 -1074.2830 0.0000 0.0000 2689.3595 6200.0676 297.0472 3510.7081 6229.5747 299.7664 PRESSURE: 1713800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1713800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1713800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1713800 0 0 0 0 0 0 0 0 0 TIMING: 1713800 CPU: 6851.1, 0.00394799/step Wall: 6851.1, 0.00394799/step, 0.862196 hours remaining, 114.421875 MB of memory in use. ENERGY: 1713800 672.3499 1845.4047 1959.1096 99.5722 2.9194 -1096.2542 0.0000 0.0000 2738.8993 6222.0010 302.5191 3483.1017 6256.1247 300.9578 PRESSURE: 1714000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1714000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1714000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1714000 0 0 0 0 0 0 0 0 0 TIMING: 1714000 CPU: 6851.89, 0.00394965/step Wall: 6851.89, 0.00394965/step, 0.86234 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1714000 651.7721 1848.6232 1998.1045 114.3515 2.3881 -1095.5365 0.0000 0.0000 2681.0586 6200.7614 296.1304 3519.7028 6235.6333 302.1869 PRESSURE: 1714200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1714200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1714200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1714200 0 0 0 0 0 0 0 0 0 TIMING: 1714200 CPU: 6852.68, 0.00394934/step Wall: 6852.68, 0.00394934/step, 0.862052 hours remaining, 114.421875 MB of memory in use. ENERGY: 1714200 664.0132 1836.8906 1945.4964 96.8429 2.6787 -1071.4235 0.0000 0.0000 2736.1459 6210.6441 302.2149 3474.4983 6246.2842 298.9923 PRESSURE: 1714400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1714400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1714400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1714400 0 0 0 0 0 0 0 0 0 TIMING: 1714400 CPU: 6853.47, 0.00395062/step Wall: 6853.47, 0.00395062/step, 0.862114 hours remaining, 114.421875 MB of memory in use. ENERGY: 1714400 660.2060 1879.5259 1948.7619 113.8905 3.4003 -1102.9220 0.0000 0.0000 2739.1567 6242.0194 302.5475 3502.8627 6273.3825 300.8576 PRESSURE: 1714600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1714600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1714600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1714600 0 0 0 0 0 0 0 0 0 TIMING: 1714600 CPU: 6854.26, 0.00395085/step Wall: 6854.26, 0.00395085/step, 0.861943 hours remaining, 114.421875 MB of memory in use. ENERGY: 1714600 644.0887 1854.1705 1952.5708 112.9878 1.8560 -1096.6815 0.0000 0.0000 2753.3466 6222.3388 304.1148 3468.9922 6257.2984 301.7447 PRESSURE: 1714800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1714800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1714800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1714800 0 0 0 0 0 0 0 0 0 TIMING: 1714800 CPU: 6855.05, 0.00394763/step Wall: 6855.05, 0.00394763/step, 0.861022 hours remaining, 114.421875 MB of memory in use. ENERGY: 1714800 682.9429 1837.4654 1952.6508 100.9089 3.0387 -1104.9876 0.0000 0.0000 2760.5287 6232.5479 304.9081 3472.0192 6265.2982 300.8721 PRESSURE: 1715000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1715000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1715000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1715000 0 0 0 0 0 0 0 0 0 TIMING: 1715000 CPU: 6855.84, 0.0039481/step Wall: 6855.84, 0.0039481/step, 0.860905 hours remaining, 114.421875 MB of memory in use. ENERGY: 1715000 636.3116 1853.5020 1963.0142 104.5589 1.8611 -1075.4825 0.0000 0.0000 2738.0575 6221.8228 302.4261 3483.7652 6258.2853 300.4421 PRESSURE: 1715200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1715200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1715200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1715200 0 0 0 0 0 0 0 0 0 TIMING: 1715200 CPU: 6856.63, 0.00394954/step Wall: 6856.63, 0.00394954/step, 0.861001 hours remaining, 114.421875 MB of memory in use. ENERGY: 1715200 673.7012 1878.1166 1975.0793 101.6344 2.5586 -1079.8033 0.0000 0.0000 2727.3856 6278.6725 301.2473 3551.2870 6312.2115 302.0769 PRESSURE: 1715400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1715400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1715400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1715400 0 0 0 0 0 0 0 0 0 TIMING: 1715400 CPU: 6857.42, 0.00395012/step Wall: 6857.42, 0.00395012/step, 0.860908 hours remaining, 114.421875 MB of memory in use. ENERGY: 1715400 677.0913 1863.2677 1968.2555 103.8799 1.4529 -1067.3407 0.0000 0.0000 2721.5757 6268.1822 300.6056 3546.6066 6300.7713 303.5398 PRESSURE: 1715600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1715600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1715600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1715600 0 0 0 0 0 0 0 0 0 TIMING: 1715600 CPU: 6858.21, 0.00394748/step Wall: 6858.21, 0.00394748/step, 0.860112 hours remaining, 114.421875 MB of memory in use. ENERGY: 1715600 647.5946 1835.4978 2006.9046 112.6591 3.0108 -1053.1769 0.0000 0.0000 2734.3617 6286.8517 302.0179 3552.4900 6322.3830 303.4874 PRESSURE: 1715800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1715800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1715800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1715800 0 0 0 0 0 0 0 0 0 TIMING: 1715800 CPU: 6859, 0.00395568/step Wall: 6859, 0.00395568/step, 0.86168 hours remaining, 114.421875 MB of memory in use. ENERGY: 1715800 650.9173 1850.7752 1944.9586 107.6975 2.5531 -1045.4573 0.0000 0.0000 2838.2412 6349.6856 313.4916 3511.4444 6385.4655 305.8052 PRESSURE: 1716000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1716000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1716000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1716000 0 0 0 0 0 0 0 0 0 TIMING: 1716000 CPU: 6859.79, 0.00394854/step Wall: 6859.79, 0.00394854/step, 0.859904 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1716000 703.7457 1807.5572 1973.1948 114.9980 1.6716 -1059.5849 0.0000 0.0000 2789.3902 6330.9726 308.0959 3541.5824 6362.9949 305.0736 PRESSURE: 1716200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1716200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1716200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1716200 0 0 0 0 0 0 0 0 0 TIMING: 1716200 CPU: 6860.58, 0.0039482/step Wall: 6860.58, 0.0039482/step, 0.859612 hours remaining, 114.421875 MB of memory in use. ENERGY: 1716200 665.9036 1799.5982 1983.5390 106.9887 2.1741 -1097.3207 0.0000 0.0000 2814.8221 6275.7050 310.9049 3460.8829 6309.9553 304.9542 LDB: ============= START OF LOAD BALANCING ============== 6863.54 LDB: ============== END OF LOAD BALANCING =============== 6863.54 LDB: =============== DONE WITH MIGRATION ================ 6863.54 LDB: ============= START OF LOAD BALANCING ============== 6863.94 LDB: ============== END OF LOAD BALANCING =============== 6863.94 LDB: =============== DONE WITH MIGRATION ================ 6863.94 PRESSURE: 1716400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1716400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1716400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1716400 0 0 0 0 0 0 0 0 0 TIMING: 1716400 CPU: 6861.37, 0.00395421/step Wall: 6861.37, 0.00395421/step, 0.8607 hours remaining, 114.421875 MB of memory in use. ENERGY: 1716400 640.5178 1887.4099 2000.2750 102.7600 2.2555 -1083.3446 0.0000 0.0000 2712.3435 6262.2172 299.5859 3549.8737 6295.2515 302.3937 PRESSURE: 1716600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1716600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1716600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1716600 0 0 0 0 0 0 0 0 0 TIMING: 1716600 CPU: 6862.16, 0.00394691/step Wall: 6862.16, 0.00394691/step, 0.858892 hours remaining, 114.421875 MB of memory in use. ENERGY: 1716600 626.1822 1917.0539 1979.9922 97.2802 0.6847 -1087.3713 0.0000 0.0000 2730.3877 6264.2096 301.5789 3533.8219 6300.0832 303.3668 PRESSURE: 1716800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1716800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1716800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1716800 0 0 0 0 0 0 0 0 0 TIMING: 1716800 CPU: 6862.95, 0.00394772/step Wall: 6862.95, 0.00394772/step, 0.858847 hours remaining, 114.421875 MB of memory in use. ENERGY: 1716800 668.2112 1884.7035 1963.1125 109.9081 2.8911 -1068.3687 0.0000 0.0000 2754.5203 6314.9779 304.2444 3560.4576 6346.9348 303.6208 PRESSURE: 1717000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1717000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1717000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1717000 0 0 0 0 0 0 0 0 0 TIMING: 1717000 CPU: 6863.74, 0.00394959/step Wall: 6863.74, 0.00394959/step, 0.859036 hours remaining, 114.421875 MB of memory in use. ENERGY: 1717000 653.7002 1860.7361 1974.4727 112.0246 2.3943 -1062.7083 0.0000 0.0000 2732.8528 6273.4724 301.8512 3540.6196 6308.4791 304.0710 PRESSURE: 1717200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1717200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1717200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1717200 0 0 0 0 0 0 0 0 0 TIMING: 1717200 CPU: 6864.53, 0.00394872/step Wall: 6864.53, 0.00394872/step, 0.858628 hours remaining, 114.421875 MB of memory in use. ENERGY: 1717200 657.8286 1824.3237 1974.7948 119.8278 1.7897 -1079.3617 0.0000 0.0000 2761.8730 6261.0759 305.0566 3499.2029 6295.1990 302.2699 PRESSURE: 1717400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1717400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1717400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1717400 0 0 0 0 0 0 0 0 0 TIMING: 1717400 CPU: 6865.32, 0.00394799/step Wall: 6865.32, 0.00394799/step, 0.858249 hours remaining, 114.421875 MB of memory in use. ENERGY: 1717400 658.7462 1810.0099 1953.9360 110.7754 0.8884 -1051.8834 0.0000 0.0000 2736.7541 6219.2266 302.2821 3482.4725 6254.1067 301.6751 PRESSURE: 1717600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1717600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1717600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1717600 0 0 0 0 0 0 0 0 0 TIMING: 1717600 CPU: 6866.11, 0.00394789/step Wall: 6866.11, 0.00394789/step, 0.858008 hours remaining, 114.421875 MB of memory in use. ENERGY: 1717600 645.1246 1852.0041 1949.2584 114.1274 2.0273 -1067.5319 0.0000 0.0000 2711.9091 6206.9189 299.5379 3495.0098 6239.9083 300.7846 PRESSURE: 1717800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1717800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1717800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1717800 0 0 0 0 0 0 0 0 0 TIMING: 1717800 CPU: 6866.9, 0.00394803/step Wall: 6866.9, 0.00394803/step, 0.85782 hours remaining, 114.421875 MB of memory in use. ENERGY: 1717800 610.5960 1838.3471 1941.9183 102.1718 2.0471 -1043.0324 0.0000 0.0000 2718.8598 6170.9076 300.3056 3452.0478 6201.7737 297.6210 PRESSURE: 1718000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1718000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1718000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1718000 0 0 0 0 0 0 0 0 0 TIMING: 1718000 CPU: 6867.69, 0.0039496/step Wall: 6867.69, 0.0039496/step, 0.85794 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1718000 630.7792 1809.0792 1962.3183 117.5505 0.8401 -1053.2976 0.0000 0.0000 2717.5540 6184.8237 300.1614 3467.2697 6219.2644 298.2549 PRESSURE: 1718200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1718200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1718200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1718200 0 0 0 0 0 0 0 0 0 TIMING: 1718200 CPU: 6868.48, 0.00394949/step Wall: 6868.48, 0.00394949/step, 0.857697 hours remaining, 114.421875 MB of memory in use. ENERGY: 1718200 641.8763 1830.8754 1973.9960 104.9321 2.7162 -1050.0330 0.0000 0.0000 2691.3456 6195.7086 297.2666 3504.3630 6228.4843 298.6862 PRESSURE: 1718400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1718400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1718400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1718400 0 0 0 0 0 0 0 0 0 TIMING: 1718400 CPU: 6869.27, 0.00394905/step Wall: 6869.27, 0.00394905/step, 0.857383 hours remaining, 114.421875 MB of memory in use. ENERGY: 1718400 633.0179 1881.0832 1943.3897 108.9914 2.4837 -1112.1150 0.0000 0.0000 2695.7337 6152.5846 297.7513 3456.8510 6185.4562 298.0163 PRESSURE: 1718600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1718600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1718600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1718600 0 0 0 0 0 0 0 0 0 TIMING: 1718600 CPU: 6870.06, 0.00394761/step Wall: 6870.06, 0.00394761/step, 0.856851 hours remaining, 114.421875 MB of memory in use. ENERGY: 1718600 667.8268 1826.4345 1954.3764 95.4579 3.4412 -1112.4440 0.0000 0.0000 2593.2025 6028.2953 286.4264 3435.0928 6060.2488 293.4526 PRESSURE: 1718800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1718800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1718800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1718800 0 0 0 0 0 0 0 0 0 TIMING: 1718800 CPU: 6870.85, 0.00394919/step Wall: 6870.85, 0.00394919/step, 0.856974 hours remaining, 114.421875 MB of memory in use. ENERGY: 1718800 634.0092 1796.4009 1980.8303 120.7738 1.7985 -1063.5617 0.0000 0.0000 2618.1133 6088.3643 289.1779 3470.2510 6121.2806 290.2972 PRESSURE: 1719000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1719000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1719000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1719000 0 0 0 0 0 0 0 0 0 TIMING: 1719000 CPU: 6871.64, 0.00394951/step Wall: 6871.64, 0.00394951/step, 0.856824 hours remaining, 114.421875 MB of memory in use. ENERGY: 1719000 623.9164 1830.2769 1968.5314 108.5180 1.8062 -1094.4482 0.0000 0.0000 2672.5825 6111.1831 295.1942 3438.6006 6142.8078 295.0094 PRESSURE: 1719200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1719200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1719200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1719200 0 0 0 0 0 0 0 0 0 TIMING: 1719200 CPU: 6872.43, 0.00394705/step Wall: 6872.43, 0.00394705/step, 0.856071 hours remaining, 114.421875 MB of memory in use. ENERGY: 1719200 660.6350 1797.5591 1936.6063 100.8072 2.0236 -1106.0817 0.0000 0.0000 2669.1641 6060.7135 294.8166 3391.5494 6090.2665 293.8705 PRESSURE: 1719400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1719400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1719400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1719400 0 0 0 0 0 0 0 0 0 TIMING: 1719400 CPU: 6873.22, 0.00394744/step Wall: 6873.22, 0.00394744/step, 0.855937 hours remaining, 114.421875 MB of memory in use. ENERGY: 1719400 666.2628 1816.7173 1937.6551 111.7492 1.6854 -1070.1334 0.0000 0.0000 2630.1665 6094.1029 290.5092 3463.9363 6124.2195 291.4808 PRESSURE: 1719600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1719600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1719600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1719600 0 0 0 0 0 0 0 0 0 TIMING: 1719600 CPU: 6874.01, 0.00394652/step Wall: 6874.01, 0.00394652/step, 0.855519 hours remaining, 114.421875 MB of memory in use. ENERGY: 1719600 675.8651 1824.6260 1976.6542 103.8904 0.7903 -1133.3972 0.0000 0.0000 2620.8210 6069.2498 289.4770 3448.4287 6099.8306 292.7420 PRESSURE: 1719800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1719800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1719800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1719800 0 0 0 0 0 0 0 0 0 TIMING: 1719800 CPU: 6874.79, 0.00394687/step Wall: 6874.79, 0.00394687/step, 0.855374 hours remaining, 114.421875 MB of memory in use. ENERGY: 1719800 635.4542 1806.2182 1982.2310 108.2391 0.6877 -1075.4085 0.0000 0.0000 2688.5800 6146.0017 296.9611 3457.4217 6176.6440 294.4251 PRESSURE: 1720000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1720000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1720000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1720000 0 0 0 0 0 0 0 0 0 TIMING: 1720000 CPU: 6875.58, 0.00395025/step Wall: 6875.58, 0.00395025/step, 0.855889 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1720000 651.6622 1843.5389 1996.6264 91.4183 0.3330 -1101.7502 0.0000 0.0000 2702.9174 6184.7459 298.5448 3481.8285 6216.0319 297.5151 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1720000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1720000 WRITING COORDINATES TO RESTART FILE AT STEP 1720000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1720000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1720200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1720200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1720200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1720200 0 0 0 0 0 0 0 0 0 TIMING: 1720200 CPU: 6876.42, 0.00418353/step Wall: 6876.42, 0.00418353/step, 0.906198 hours remaining, 114.421875 MB of memory in use. ENERGY: 1720200 661.0471 1832.6292 1964.5146 111.3872 2.2834 -1079.5598 0.0000 0.0000 2744.9331 6237.2349 303.1855 3492.3018 6271.3191 300.6310 LDB: ============= START OF LOAD BALANCING ============== 6879.38 LDB: ============== END OF LOAD BALANCING =============== 6879.38 LDB: =============== DONE WITH MIGRATION ================ 6879.38 LDB: ============= START OF LOAD BALANCING ============== 6879.78 LDB: ============== END OF LOAD BALANCING =============== 6879.78 LDB: =============== DONE WITH MIGRATION ================ 6879.78 PRESSURE: 1720400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1720400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1720400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1720400 0 0 0 0 0 0 0 0 0 TIMING: 1720400 CPU: 6877.21, 0.00395317/step Wall: 6877.21, 0.00395317/step, 0.856082 hours remaining, 114.421875 MB of memory in use. ENERGY: 1720400 666.6926 1885.8702 1957.6044 113.3667 1.7494 -1124.2931 0.0000 0.0000 2706.2809 6207.2711 298.9163 3500.9903 6238.2105 300.5345 PRESSURE: 1720600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1720600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1720600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1720600 0 0 0 0 0 0 0 0 0 TIMING: 1720600 CPU: 6878, 0.00395015/step Wall: 6878, 0.00395015/step, 0.855209 hours remaining, 114.421875 MB of memory in use. ENERGY: 1720600 653.7583 1837.8566 1965.9477 108.2115 2.5861 -1096.3451 0.0000 0.0000 2759.0446 6231.0597 304.7442 3472.0151 6267.0307 300.7021 PRESSURE: 1720800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1720800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1720800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1720800 0 0 0 0 0 0 0 0 0 TIMING: 1720800 CPU: 6878.79, 0.00395349/step Wall: 6878.79, 0.00395349/step, 0.85571 hours remaining, 114.421875 MB of memory in use. ENERGY: 1720800 657.7559 1869.7509 1965.8455 111.4476 2.3970 -1076.3320 0.0000 0.0000 2695.9713 6226.8362 297.7775 3530.8649 6260.3910 300.1538 PRESSURE: 1721000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1721000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1721000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1721000 0 0 0 0 0 0 0 0 0 TIMING: 1721000 CPU: 6879.58, 0.00395342/step Wall: 6879.58, 0.00395342/step, 0.855476 hours remaining, 114.421875 MB of memory in use. ENERGY: 1721000 645.2011 1866.2462 1987.0713 106.6033 2.0840 -1083.3971 0.0000 0.0000 2676.5517 6200.3604 295.6326 3523.8087 6235.3954 298.3776 PRESSURE: 1721200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1721200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1721200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1721200 0 0 0 0 0 0 0 0 0 TIMING: 1721200 CPU: 6880.37, 0.00395334/step Wall: 6880.37, 0.00395334/step, 0.855238 hours remaining, 114.421875 MB of memory in use. ENERGY: 1721200 627.5249 1869.7871 1944.5408 116.0774 1.9005 -1048.2330 0.0000 0.0000 2713.3271 6224.9247 299.6945 3511.5977 6256.7840 300.2786 PRESSURE: 1721400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1721400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1721400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1721400 0 0 0 0 0 0 0 0 0 TIMING: 1721400 CPU: 6881.16, 0.00394992/step Wall: 6881.16, 0.00394992/step, 0.854279 hours remaining, 114.421875 MB of memory in use. ENERGY: 1721400 673.5749 1824.9224 1946.4401 92.7398 3.1005 -1050.1461 0.0000 0.0000 2728.4016 6219.0332 301.3596 3490.6316 6249.3011 300.5550 PRESSURE: 1721600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1721600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1721600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1721600 0 0 0 0 0 0 0 0 0 TIMING: 1721600 CPU: 6881.95, 0.00395286/step Wall: 6881.95, 0.00395286/step, 0.854697 hours remaining, 114.421875 MB of memory in use. ENERGY: 1721600 656.8017 1820.1683 1977.3248 105.9317 1.4865 -1034.1931 0.0000 0.0000 2694.2562 6221.7761 297.5881 3527.5198 6254.3457 300.8118 PRESSURE: 1721800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1721800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1721800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1721800 0 0 0 0 0 0 0 0 0 TIMING: 1721800 CPU: 6882.75, 0.00395406/step Wall: 6882.75, 0.00395406/step, 0.854736 hours remaining, 114.421875 MB of memory in use. ENERGY: 1721800 653.9469 1895.2209 1975.1103 111.5992 1.2047 -1083.0497 0.0000 0.0000 2710.7286 6264.7610 299.4075 3554.0324 6297.5028 300.0764 PRESSURE: 1722000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1722000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1722000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1722000 0 0 0 0 0 0 0 0 0 TIMING: 1722000 CPU: 6883.54, 0.00395283/step Wall: 6883.54, 0.00395283/step, 0.854249 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1722000 674.5997 1864.8351 1952.1829 107.8047 2.3223 -1100.2879 0.0000 0.0000 2733.6387 6235.0954 301.9380 3501.4567 6267.2424 302.2973 PRESSURE: 1722200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1722200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1722200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1722200 0 0 0 0 0 0 0 0 0 TIMING: 1722200 CPU: 6884.33, 0.00396011/step Wall: 6884.33, 0.00396011/step, 0.855603 hours remaining, 114.421875 MB of memory in use. ENERGY: 1722200 713.5118 1852.6460 1994.9723 119.2403 1.3399 -1125.2195 0.0000 0.0000 2710.2272 6266.7180 299.3521 3556.4908 6299.0369 301.5359 PRESSURE: 1722400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1722400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1722400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1722400 0 0 0 0 0 0 0 0 0 TIMING: 1722400 CPU: 6885.12, 0.00395803/step Wall: 6885.12, 0.00395803/step, 0.854934 hours remaining, 114.421875 MB of memory in use. ENERGY: 1722400 668.9813 1823.2401 1976.9254 109.1175 2.2080 -1098.5474 0.0000 0.0000 2812.0369 6293.9617 310.5973 3481.9248 6327.5536 303.3486 PRESSURE: 1722600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1722600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1722600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1722600 0 0 0 0 0 0 0 0 0 TIMING: 1722600 CPU: 6885.91, 0.00395487/step Wall: 6885.91, 0.00395487/step, 0.854032 hours remaining, 114.421875 MB of memory in use. ENERGY: 1722600 658.6658 1885.8554 1976.5914 110.4390 1.5631 -1093.6074 0.0000 0.0000 2672.0502 6211.5576 295.1354 3539.5074 6243.0877 301.4214 PRESSURE: 1722800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1722800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1722800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1722800 0 0 0 0 0 0 0 0 0 TIMING: 1722800 CPU: 6886.7, 0.00395462/step Wall: 6886.7, 0.00395462/step, 0.853759 hours remaining, 114.421875 MB of memory in use. ENERGY: 1722800 634.0970 1845.2350 1934.2009 101.4049 1.8267 -1075.7005 0.0000 0.0000 2748.7850 6189.8489 303.6110 3441.0639 6225.3480 300.3161 PRESSURE: 1723000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1723000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1723000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1723000 0 0 0 0 0 0 0 0 0 TIMING: 1723000 CPU: 6887.49, 0.00395229/step Wall: 6887.49, 0.00395229/step, 0.853035 hours remaining, 114.421875 MB of memory in use. ENERGY: 1723000 628.2489 1817.5436 1956.4733 100.2329 1.5372 -1065.0577 0.0000 0.0000 2705.2534 6144.2314 298.8028 3438.9780 6176.7101 298.1178 PRESSURE: 1723200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1723200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1723200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1723200 0 0 0 0 0 0 0 0 0 TIMING: 1723200 CPU: 6888.28, 0.00394651/step Wall: 6888.28, 0.00394651/step, 0.851569 hours remaining, 114.421875 MB of memory in use. ENERGY: 1723200 668.6874 1857.7423 1947.5975 101.0107 0.4540 -1087.7238 0.0000 0.0000 2684.7235 6172.4916 296.5352 3487.7680 6202.7004 297.9174 PRESSURE: 1723400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1723400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1723400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1723400 0 0 0 0 0 0 0 0 0 TIMING: 1723400 CPU: 6889.07, 0.00395079/step Wall: 6889.07, 0.00395079/step, 0.852273 hours remaining, 114.421875 MB of memory in use. ENERGY: 1723400 678.4771 1845.5516 1939.3839 106.0102 2.8226 -1075.8017 0.0000 0.0000 2648.8636 6145.3072 292.5744 3496.4437 6177.0857 297.4120 PRESSURE: 1723600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1723600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1723600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1723600 0 0 0 0 0 0 0 0 0 TIMING: 1723600 CPU: 6889.86, 0.00395176/step Wall: 6889.86, 0.00395176/step, 0.852263 hours remaining, 114.421875 MB of memory in use. ENERGY: 1723600 653.0720 1824.9923 1960.2439 110.7841 3.1287 -1122.5737 0.0000 0.0000 2731.9834 6161.6307 301.7552 3429.6473 6194.4847 296.7606 PRESSURE: 1723800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1723800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1723800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1723800 0 0 0 0 0 0 0 0 0 TIMING: 1723800 CPU: 6890.65, 0.00395264/step Wall: 6890.65, 0.00395264/step, 0.852233 hours remaining, 114.421875 MB of memory in use. ENERGY: 1723800 654.1691 1855.2571 1953.3467 99.4665 1.9607 -1102.5489 0.0000 0.0000 2684.8571 6146.5082 296.5499 3461.6512 6179.3681 297.1723 PRESSURE: 1724000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1724000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1724000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1724000 0 0 0 0 0 0 0 0 0 TIMING: 1724000 CPU: 6891.44, 0.00395352/step Wall: 6891.44, 0.00395352/step, 0.852204 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1724000 642.1369 1825.0911 1970.8144 101.7560 0.9880 -1113.7893 0.0000 0.0000 2719.9178 6146.9149 300.4225 3426.9971 6182.1556 298.2051 PRESSURE: 1724200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1724200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1724200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1724200 0 0 0 0 0 0 0 0 0 TIMING: 1724200 CPU: 6892.23, 0.00394794/step Wall: 6892.23, 0.00394794/step, 0.850782 hours remaining, 114.421875 MB of memory in use. ENERGY: 1724200 636.4958 1837.0316 1977.0661 109.4329 2.1796 -1072.1327 0.0000 0.0000 2642.6355 6132.7088 291.8865 3490.0733 6164.3156 296.7844 LDB: ============= START OF LOAD BALANCING ============== 6895.19 LDB: ============== END OF LOAD BALANCING =============== 6895.19 LDB: =============== DONE WITH MIGRATION ================ 6895.19 LDB: ============= START OF LOAD BALANCING ============== 6895.59 LDB: ============== END OF LOAD BALANCING =============== 6895.59 LDB: =============== DONE WITH MIGRATION ================ 6895.59 PRESSURE: 1724400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1724400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1724400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1724400 0 0 0 0 0 0 0 0 0 TIMING: 1724400 CPU: 6893.02, 0.00395697/step Wall: 6893.02, 0.00395697/step, 0.852507 hours remaining, 114.421875 MB of memory in use. ENERGY: 1724400 641.2922 1836.9301 1937.1434 116.7085 2.3405 -1059.0098 0.0000 0.0000 2656.9019 6132.3068 293.4622 3475.4049 6163.6398 295.4074 PRESSURE: 1724600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1724600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1724600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1724600 0 0 0 0 0 0 0 0 0 TIMING: 1724600 CPU: 6893.81, 0.003952/step Wall: 6893.81, 0.003952/step, 0.851216 hours remaining, 114.421875 MB of memory in use. ENERGY: 1724600 654.8979 1780.6560 1939.7147 98.3145 3.3645 -1094.7758 0.0000 0.0000 2722.1809 6104.3526 300.6725 3382.1717 6137.6179 294.3651 PRESSURE: 1724800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1724800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1724800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1724800 0 0 0 0 0 0 0 0 0 TIMING: 1724800 CPU: 6894.61, 0.00395333/step Wall: 6894.61, 0.00395333/step, 0.851284 hours remaining, 114.421875 MB of memory in use. ENERGY: 1724800 653.7606 1832.3787 1973.8161 118.9452 2.3887 -1086.9202 0.0000 0.0000 2697.9564 6192.3254 297.9968 3494.3691 6224.6202 295.6717 PRESSURE: 1725000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1725000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1725000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1725000 0 0 0 0 0 0 0 0 0 TIMING: 1725000 CPU: 6895.4, 0.00395263/step Wall: 6895.4, 0.00395263/step, 0.850913 hours remaining, 114.421875 MB of memory in use. ENERGY: 1725000 633.2562 1808.5653 1965.0089 113.2000 3.0424 -1098.2659 0.0000 0.0000 2760.9305 6185.7375 304.9525 3424.8069 6222.2664 299.3628 PRESSURE: 1725200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1725200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1725200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1725200 0 0 0 0 0 0 0 0 0 TIMING: 1725200 CPU: 6896.19, 0.00394905/step Wall: 6896.19, 0.00394905/step, 0.849923 hours remaining, 114.421875 MB of memory in use. ENERGY: 1725200 666.1341 1861.1340 1980.3311 110.9283 2.9560 -1096.8213 0.0000 0.0000 2680.0762 6204.7385 296.0219 3524.6623 6239.5062 299.9174 PRESSURE: 1725400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1725400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1725400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1725400 0 0 0 0 0 0 0 0 0 TIMING: 1725400 CPU: 6896.98, 0.00395197/step Wall: 6896.98, 0.00395197/step, 0.850332 hours remaining, 114.421875 MB of memory in use. ENERGY: 1725400 635.1447 1861.7935 1978.9938 111.9160 2.3127 -1082.7655 0.0000 0.0000 2713.6089 6221.0042 299.7257 3507.3952 6255.0989 301.0465 PRESSURE: 1725600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1725600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1725600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1725600 0 0 0 0 0 0 0 0 0 TIMING: 1725600 CPU: 6897.77, 0.00395323/step Wall: 6897.77, 0.00395323/step, 0.850384 hours remaining, 114.421875 MB of memory in use. ENERGY: 1725600 638.2692 1854.6665 1975.4923 114.9357 4.6007 -1083.5356 0.0000 0.0000 2699.8229 6204.2516 298.2030 3504.4287 6238.7242 297.0169 PRESSURE: 1725800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1725800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1725800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1725800 0 0 0 0 0 0 0 0 0 TIMING: 1725800 CPU: 6898.56, 0.00396347/step Wall: 6898.56, 0.00396347/step, 0.852367 hours remaining, 114.421875 MB of memory in use. ENERGY: 1725800 627.1602 1845.1708 1970.6652 109.8287 2.8859 -1057.4318 0.0000 0.0000 2649.4981 6147.7772 292.6444 3498.2791 6181.9846 298.1114 PRESSURE: 1726000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1726000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1726000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1726000 0 0 0 0 0 0 0 0 0 TIMING: 1726000 CPU: 6899.35, 0.0039504/step Wall: 6899.35, 0.0039504/step, 0.849335 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1726000 665.7013 1865.6571 1928.2839 100.8162 1.8022 -1055.6957 0.0000 0.0000 2670.3159 6176.8809 294.9438 3506.5649 6207.1054 297.6488 PRESSURE: 1726200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1726200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1726200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1726200 0 0 0 0 0 0 0 0 0 TIMING: 1726200 CPU: 6900.14, 0.00394779/step Wall: 6900.14, 0.00394779/step, 0.848556 hours remaining, 114.421875 MB of memory in use. ENERGY: 1726200 651.1267 1884.6368 1969.0675 115.0439 1.5972 -1093.7386 0.0000 0.0000 2670.3042 6198.0377 294.9425 3527.7335 6228.9303 299.3433 PRESSURE: 1726400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1726400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1726400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1726400 0 0 0 0 0 0 0 0 0 TIMING: 1726400 CPU: 6900.93, 0.00394877/step Wall: 6900.93, 0.00394877/step, 0.848547 hours remaining, 114.421875 MB of memory in use. ENERGY: 1726400 694.4433 1873.5778 1931.3912 96.9737 3.4595 -1110.7425 0.0000 0.0000 2704.1768 6193.2798 298.6839 3489.1030 6226.6044 299.7976 PRESSURE: 1726600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1726600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1726600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1726600 0 0 0 0 0 0 0 0 0 TIMING: 1726600 CPU: 6901.72, 0.00395065/step Wall: 6901.72, 0.00395065/step, 0.848731 hours remaining, 114.421875 MB of memory in use. ENERGY: 1726600 662.2983 1776.1399 1982.9213 106.3285 1.4915 -1069.6057 0.0000 0.0000 2724.2788 6183.8525 300.9042 3459.5737 6218.9320 297.8176 PRESSURE: 1726800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1726800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1726800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1726800 0 0 0 0 0 0 0 0 0 TIMING: 1726800 CPU: 6902.51, 0.00394925/step Wall: 6902.51, 0.00394925/step, 0.848211 hours remaining, 114.421875 MB of memory in use. ENERGY: 1726800 659.4019 1835.7535 1963.3781 106.7583 2.2717 -1065.6642 0.0000 0.0000 2710.7210 6212.6203 299.4067 3501.8994 6246.6768 300.3389 PRESSURE: 1727000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1727000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1727000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1727000 0 0 0 0 0 0 0 0 0 TIMING: 1727000 CPU: 6903.3, 0.00394701/step Wall: 6903.3, 0.00394701/step, 0.84751 hours remaining, 114.421875 MB of memory in use. ENERGY: 1727000 666.9056 1842.7976 1937.1676 108.6074 2.2682 -1075.8864 0.0000 0.0000 2706.6577 6188.5178 298.9579 3481.8601 6219.0062 298.2938 PRESSURE: 1727200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1727200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1727200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1727200 0 0 0 0 0 0 0 0 0 TIMING: 1727200 CPU: 6904.09, 0.00394965/step Wall: 6904.09, 0.00394965/step, 0.847858 hours remaining, 114.421875 MB of memory in use. ENERGY: 1727200 671.5116 1840.5987 1969.8890 111.0033 1.9484 -1073.1664 0.0000 0.0000 2682.9249 6204.7095 296.3365 3521.7846 6238.7987 298.9557 PRESSURE: 1727400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1727400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1727400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1727400 0 0 0 0 0 0 0 0 0 TIMING: 1727400 CPU: 6904.88, 0.00394838/step Wall: 6904.88, 0.00394837/step, 0.847365 hours remaining, 114.421875 MB of memory in use. ENERGY: 1727400 650.7963 1844.2961 1940.4502 116.9921 1.5132 -1085.1511 0.0000 0.0000 2735.1398 6204.0366 302.1038 3468.8968 6236.3888 300.3202 PRESSURE: 1727600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1727600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1727600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1727600 0 0 0 0 0 0 0 0 0 TIMING: 1727600 CPU: 6905.67, 0.00394945/step Wall: 6905.67, 0.00394946/step, 0.847378 hours remaining, 114.421875 MB of memory in use. ENERGY: 1727600 647.5934 1824.4606 1999.6434 106.1881 2.1361 -1079.0574 0.0000 0.0000 2698.6157 6199.5801 298.0696 3500.9644 6233.2323 299.7683 PRESSURE: 1727800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1727800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1727800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1727800 0 0 0 0 0 0 0 0 0 TIMING: 1727800 CPU: 6906.46, 0.00394955/step Wall: 6906.46, 0.00394955/step, 0.847179 hours remaining, 114.421875 MB of memory in use. ENERGY: 1727800 637.8454 1835.2231 1949.3684 106.1020 1.9106 -1057.3444 0.0000 0.0000 2683.8137 6156.9188 296.4347 3473.1050 6187.3190 298.6669 PRESSURE: 1728000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1728000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1728000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1728000 0 0 0 0 0 0 0 0 0 TIMING: 1728000 CPU: 6907.25, 0.00394636/step Wall: 6907.25, 0.00394636/step, 0.846274 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1728000 635.7505 1900.2990 1960.3110 113.8445 0.8972 -1128.3092 0.0000 0.0000 2669.3043 6152.0973 294.8321 3482.7930 6183.9306 296.4934 PRESSURE: 1728200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1728200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1728200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1728200 0 0 0 0 0 0 0 0 0 TIMING: 1728200 CPU: 6908.04, 0.00394938/step Wall: 6908.04, 0.00394938/step, 0.846703 hours remaining, 114.421875 MB of memory in use. ENERGY: 1728200 654.6436 1787.3848 1995.9051 115.3254 2.0537 -1056.6688 0.0000 0.0000 2703.4451 6202.0890 298.6030 3498.6438 6237.6124 297.6125 LDB: ============= START OF LOAD BALANCING ============== 6911 LDB: ============== END OF LOAD BALANCING =============== 6911 LDB: =============== DONE WITH MIGRATION ================ 6911 LDB: ============= START OF LOAD BALANCING ============== 6911.39 LDB: ============== END OF LOAD BALANCING =============== 6911.39 LDB: =============== DONE WITH MIGRATION ================ 6911.39 PRESSURE: 1728400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1728400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1728400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1728400 0 0 0 0 0 0 0 0 0 TIMING: 1728400 CPU: 6908.83, 0.00395373/step Wall: 6908.83, 0.00395373/step, 0.847415 hours remaining, 114.421875 MB of memory in use. ENERGY: 1728400 644.8270 1865.3823 1966.3044 108.3697 2.0167 -1091.0725 0.0000 0.0000 2711.4006 6207.2281 299.4818 3495.8275 6237.3357 300.7676 PRESSURE: 1728600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1728600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1728600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1728600 0 0 0 0 0 0 0 0 0 TIMING: 1728600 CPU: 6909.62, 0.0039491/step Wall: 6909.62, 0.0039491/step, 0.846204 hours remaining, 114.421875 MB of memory in use. ENERGY: 1728600 641.9978 1846.7353 1985.9194 112.5252 2.3247 -1091.0567 0.0000 0.0000 2641.2983 6139.7440 291.7388 3498.4457 6172.9153 297.5548 PRESSURE: 1728800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1728800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1728800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1728800 0 0 0 0 0 0 0 0 0 TIMING: 1728800 CPU: 6910.41, 0.00394872/step Wall: 6910.41, 0.00394872/step, 0.845904 hours remaining, 114.421875 MB of memory in use. ENERGY: 1728800 641.6977 1821.3044 1942.9419 111.1827 1.7579 -1110.6408 0.0000 0.0000 2707.0797 6115.3236 299.0045 3408.2439 6153.0054 294.9558 PRESSURE: 1729000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1729000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1729000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1729000 0 0 0 0 0 0 0 0 0 TIMING: 1729000 CPU: 6911.2, 0.00394746/step Wall: 6911.2, 0.00394746/step, 0.845413 hours remaining, 114.421875 MB of memory in use. ENERGY: 1729000 637.8770 1859.4792 1935.7578 102.4803 4.0443 -1106.7386 0.0000 0.0000 2721.6962 6154.5963 300.6189 3432.9001 6187.9006 295.7297 PRESSURE: 1729200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1729200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1729200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1729200 0 0 0 0 0 0 0 0 0 TIMING: 1729200 CPU: 6911.99, 0.00395043/step Wall: 6911.99, 0.00395043/step, 0.845832 hours remaining, 114.421875 MB of memory in use. ENERGY: 1729200 686.1078 1829.3345 1965.6157 109.2993 2.6122 -1109.2419 0.0000 0.0000 2634.7456 6118.4731 291.0150 3483.7275 6151.1796 297.2521 PRESSURE: 1729400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1729400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1729400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1729400 0 0 0 0 0 0 0 0 0 TIMING: 1729400 CPU: 6912.78, 0.00395151/step Wall: 6912.78, 0.00395151/step, 0.845844 hours remaining, 114.421875 MB of memory in use. ENERGY: 1729400 613.9432 1835.7875 1945.3574 100.7307 2.2446 -1095.6371 0.0000 0.0000 2729.7787 6132.2050 301.5117 3402.4263 6166.4542 296.1367 PRESSURE: 1729600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1729600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1729600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1729600 0 0 0 0 0 0 0 0 0 TIMING: 1729600 CPU: 6913.57, 0.00395033/step Wall: 6913.57, 0.00395033/step, 0.845371 hours remaining, 114.421875 MB of memory in use. ENERGY: 1729600 677.8352 1812.4190 1966.6000 116.3245 2.0362 -1095.9258 0.0000 0.0000 2658.3741 6137.6632 293.6248 3479.2891 6169.5798 295.3449 PRESSURE: 1729800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1729800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1729800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1729800 0 0 0 0 0 0 0 0 0 TIMING: 1729800 CPU: 6914.36, 0.00394996/step Wall: 6914.36, 0.00394996/step, 0.845072 hours remaining, 114.421875 MB of memory in use. ENERGY: 1729800 645.6740 1852.2507 1984.2935 109.5197 2.0981 -1060.9123 0.0000 0.0000 2618.4242 6151.3480 289.2122 3532.9237 6182.0970 297.2532 PRESSURE: 1730000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1730000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1730000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1730000 0 0 0 0 0 0 0 0 0 TIMING: 1730000 CPU: 6915.15, 0.00394986/step Wall: 6915.15, 0.00394986/step, 0.844831 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1730000 638.8616 1832.5154 1936.0842 89.4474 0.8751 -1071.7187 0.0000 0.0000 2687.0375 6113.1024 296.7908 3426.0649 6146.3020 294.9119 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1730000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1730000 WRITING COORDINATES TO RESTART FILE AT STEP 1730000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1730000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1730200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1730200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1730200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1730200 0 0 0 0 0 0 0 0 0 TIMING: 1730200 CPU: 6917.01, 0.00933734/step Wall: 6917.01, 0.00933734/step, 1.99663 hours remaining, 114.421875 MB of memory in use. ENERGY: 1730200 652.7094 1844.1517 1973.4923 94.7894 2.1115 -1116.2232 0.0000 0.0000 2720.9180 6171.9490 300.5330 3451.0311 6203.8648 296.6646 PRESSURE: 1730400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1730400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1730400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1730400 0 0 0 0 0 0 0 0 0 TIMING: 1730400 CPU: 6917.8, 0.0039496/step Wall: 6917.8, 0.0039496/step, 0.844338 hours remaining, 114.421875 MB of memory in use. ENERGY: 1730400 655.5924 1825.9027 1970.0280 107.5408 1.7296 -1081.7189 0.0000 0.0000 2654.9692 6134.0438 293.2487 3479.0745 6164.7118 297.6749 PRESSURE: 1730600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1730600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1730600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1730600 0 0 0 0 0 0 0 0 0 TIMING: 1730600 CPU: 6918.59, 0.00395232/step Wall: 6918.59, 0.00395232/step, 0.844698 hours remaining, 114.421875 MB of memory in use. ENERGY: 1730600 624.7882 1840.3467 1957.1266 105.7264 2.0420 -1084.1305 0.0000 0.0000 2681.1475 6127.0470 296.1402 3445.8995 6161.0013 296.1002 PRESSURE: 1730800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1730800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1730800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1730800 0 0 0 0 0 0 0 0 0 TIMING: 1730800 CPU: 6919.39, 0.00395314/step Wall: 6919.39, 0.00395314/step, 0.844655 hours remaining, 114.421875 MB of memory in use. ENERGY: 1730800 617.7705 1819.3049 1973.0332 105.9267 2.4429 -1097.0680 0.0000 0.0000 2692.3715 6113.7818 297.3799 3421.4103 6147.6009 293.8495 PRESSURE: 1731000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1731000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1731000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1731000 0 0 0 0 0 0 0 0 0 TIMING: 1731000 CPU: 6920.18, 0.0039484/step Wall: 6920.18, 0.00394841/step, 0.843424 hours remaining, 114.421875 MB of memory in use. ENERGY: 1731000 659.4414 1798.8532 1959.7572 106.0398 0.6878 -1093.7983 0.0000 0.0000 2657.8696 6088.8507 293.5691 3430.9811 6122.6944 293.4208 PRESSURE: 1731200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1731200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1731200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1731200 0 0 0 0 0 0 0 0 0 TIMING: 1731200 CPU: 6920.97, 0.0039523/step Wall: 6920.97, 0.0039523/step, 0.844036 hours remaining, 114.421875 MB of memory in use. ENERGY: 1731200 669.0447 1828.9216 1978.0121 107.4807 1.8252 -1110.2556 0.0000 0.0000 2650.8498 6125.8785 292.7937 3475.0287 6157.4946 294.8919 PRESSURE: 1731400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1731400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1731400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1731400 0 0 0 0 0 0 0 0 0 TIMING: 1731400 CPU: 6921.76, 0.00395285/step Wall: 6921.76, 0.00395285/step, 0.843932 hours remaining, 114.421875 MB of memory in use. ENERGY: 1731400 642.9598 1786.2729 1968.3966 100.7274 1.6914 -1083.2614 0.0000 0.0000 2738.9711 6155.7578 302.5270 3416.7867 6192.3614 296.5101 PRESSURE: 1731600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1731600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1731600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1731600 0 0 0 0 0 0 0 0 0 TIMING: 1731600 CPU: 6922.55, 0.00395089/step Wall: 6922.55, 0.00395089/step, 0.843295 hours remaining, 114.421875 MB of memory in use. ENERGY: 1731600 683.2503 1839.6064 1965.2090 119.9353 1.4647 -1111.9267 0.0000 0.0000 2667.1491 6164.6881 294.5940 3497.5390 6193.5191 296.6247 PRESSURE: 1731800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1731800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1731800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1731800 0 0 0 0 0 0 0 0 0 TIMING: 1731800 CPU: 6923.34, 0.0039479/step Wall: 6923.34, 0.0039479/step, 0.842437 hours remaining, 114.421875 MB of memory in use. ENERGY: 1731800 665.3235 1852.4502 1976.3616 96.6779 3.0072 -1085.2536 0.0000 0.0000 2675.8078 6184.3746 295.5504 3508.5667 6218.4395 297.1267 PRESSURE: 1732000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1732000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1732000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1732000 0 0 0 0 0 0 0 0 0 TIMING: 1732000 CPU: 6924.13, 0.00395244/step Wall: 6924.13, 0.00395244/step, 0.843188 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1732000 635.0678 1922.7531 1966.4288 116.6531 2.7049 -1126.1728 0.0000 0.0000 2698.5753 6216.0101 298.0652 3517.4348 6248.7459 298.5028 PRESSURE: 1732200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1732200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1732200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1732200 0 0 0 0 0 0 0 0 0 TIMING: 1732200 CPU: 6924.92, 0.00395085/step Wall: 6924.92, 0.00395085/step, 0.842629 hours remaining, 114.421875 MB of memory in use. ENERGY: 1732200 664.9458 1853.8777 1972.0168 96.8581 3.6520 -1103.2253 0.0000 0.0000 2709.7445 6197.8698 299.2988 3488.1252 6233.7079 300.2034 LDB: ============= START OF LOAD BALANCING ============== 6927.88 LDB: ============== END OF LOAD BALANCING =============== 6927.88 LDB: =============== DONE WITH MIGRATION ================ 6927.88 LDB: ============= START OF LOAD BALANCING ============== 6928.27 LDB: ============== END OF LOAD BALANCING =============== 6928.27 LDB: =============== DONE WITH MIGRATION ================ 6928.27 PRESSURE: 1732400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1732400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1732400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1732400 0 0 0 0 0 0 0 0 0 TIMING: 1732400 CPU: 6925.71, 0.00395612/step Wall: 6925.71, 0.00395612/step, 0.843534 hours remaining, 114.421875 MB of memory in use. ENERGY: 1732400 651.2134 1834.6923 1947.9275 103.0233 4.2598 -1066.0786 0.0000 0.0000 2707.1705 6182.2082 299.0145 3475.0377 6218.1212 298.7846 PRESSURE: 1732600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1732600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1732600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1732600 0 0 0 0 0 0 0 0 0 TIMING: 1732600 CPU: 6926.5, 0.0039518/step Wall: 6926.5, 0.0039518/step, 0.842391 hours remaining, 114.421875 MB of memory in use. ENERGY: 1732600 632.2225 1833.1817 1954.1597 111.7667 3.4554 -1084.2755 0.0000 0.0000 2736.9403 6187.4508 302.3027 3450.5105 6220.0131 296.7704 PRESSURE: 1732800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1732800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1732800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1732800 0 0 0 0 0 0 0 0 0 TIMING: 1732800 CPU: 6927.29, 0.00394734/step Wall: 6927.29, 0.00394734/step, 0.841221 hours remaining, 114.421875 MB of memory in use. ENERGY: 1732800 691.9081 1823.5808 1958.8709 101.4671 4.4237 -1107.9379 0.0000 0.0000 2715.5647 6187.8776 299.9417 3472.3128 6224.2824 299.6313 PRESSURE: 1733000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1733000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1733000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1733000 0 0 0 0 0 0 0 0 0 TIMING: 1733000 CPU: 6928.08, 0.0039501/step Wall: 6928.08, 0.0039501/step, 0.84159 hours remaining, 114.421875 MB of memory in use. ENERGY: 1733000 660.4006 1858.5393 1965.8698 120.4723 3.5327 -1044.9900 0.0000 0.0000 2687.1729 6250.9978 296.8057 3563.8249 6281.2908 300.1615 PRESSURE: 1733200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1733200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1733200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1733200 0 0 0 0 0 0 0 0 0 TIMING: 1733200 CPU: 6928.87, 0.00394859/step Wall: 6928.87, 0.00394859/step, 0.841051 hours remaining, 114.421875 MB of memory in use. ENERGY: 1733200 663.4170 1894.9395 1966.0382 107.7968 3.4936 -1097.6116 0.0000 0.0000 2715.0180 6253.0915 299.8813 3538.0736 6285.1764 300.0504 PRESSURE: 1733400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1733400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1733400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1733400 0 0 0 0 0 0 0 0 0 TIMING: 1733400 CPU: 6929.66, 0.00394994/step Wall: 6929.66, 0.00394994/step, 0.841117 hours remaining, 114.421875 MB of memory in use. ENERGY: 1733400 651.3699 1840.7223 1974.6077 101.7591 2.3172 -1065.7568 0.0000 0.0000 2734.2546 6239.2740 302.0060 3505.0194 6272.8697 299.7005 PRESSURE: 1733600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1733600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1733600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1733600 0 0 0 0 0 0 0 0 0 TIMING: 1733600 CPU: 6930.45, 0.00394872/step Wall: 6930.45, 0.00394872/step, 0.840639 hours remaining, 114.421875 MB of memory in use. ENERGY: 1733600 655.1479 1827.8438 1969.7400 111.1010 2.6625 -1062.4435 0.0000 0.0000 2720.0935 6224.1452 300.4419 3504.0517 6257.0313 299.6304 PRESSURE: 1733800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1733800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1733800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1733800 0 0 0 0 0 0 0 0 0 TIMING: 1733800 CPU: 6931.24, 0.00394637/step Wall: 6931.24, 0.00394637/step, 0.839918 hours remaining, 114.421875 MB of memory in use. ENERGY: 1733800 666.5116 1865.2379 1964.4789 118.1958 2.0267 -1054.2051 0.0000 0.0000 2679.8032 6242.0490 295.9917 3562.2458 6271.8940 299.7395 PRESSURE: 1734000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1734000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1734000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1734000 0 0 0 0 0 0 0 0 0 TIMING: 1734000 CPU: 6932.03, 0.0039491/step Wall: 6932.03, 0.0039491/step, 0.84028 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1734000 668.1167 1832.0129 1972.8965 109.7099 1.9489 -1080.5482 0.0000 0.0000 2718.1737 6222.3104 300.2299 3504.1367 6255.5435 299.8346 PRESSURE: 1734200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1734200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1734200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1734200 0 0 0 0 0 0 0 0 0 TIMING: 1734200 CPU: 6932.82, 0.00394914/step Wall: 6932.82, 0.00394914/step, 0.84007 hours remaining, 114.421875 MB of memory in use. ENERGY: 1734200 653.9916 1860.0995 1955.3996 101.2630 2.4474 -1080.8491 0.0000 0.0000 2717.6210 6209.9730 300.1688 3492.3521 6242.2942 300.5288 PRESSURE: 1734400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1734400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1734400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1734400 0 0 0 0 0 0 0 0 0 TIMING: 1734400 CPU: 6933.61, 0.00395018/step Wall: 6933.61, 0.00395018/step, 0.840072 hours remaining, 114.421875 MB of memory in use. ENERGY: 1734400 649.4035 1844.0063 1965.7445 111.6075 2.1017 -1079.2469 0.0000 0.0000 2697.6833 6191.2999 297.9666 3493.6166 6222.9634 298.7089 PRESSURE: 1734600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1734600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1734600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1734600 0 0 0 0 0 0 0 0 0 TIMING: 1734600 CPU: 6934.4, 0.00394969/step Wall: 6934.4, 0.00394969/step, 0.839748 hours remaining, 114.421875 MB of memory in use. ENERGY: 1734600 671.5413 1865.8589 1951.1157 107.2423 1.7723 -1107.5960 0.0000 0.0000 2746.7255 6236.6600 303.3835 3489.9345 6269.6400 299.9962 PRESSURE: 1734800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1734800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1734800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1734800 0 0 0 0 0 0 0 0 0 TIMING: 1734800 CPU: 6935.19, 0.00394595/step Wall: 6935.19, 0.00394595/step, 0.838734 hours remaining, 114.421875 MB of memory in use. ENERGY: 1734800 635.3562 1861.6099 1978.6014 101.5804 1.3405 -1084.1010 0.0000 0.0000 2727.6028 6221.9901 301.2713 3494.3873 6257.3553 301.9655 PRESSURE: 1735000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1735000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1735000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1735000 0 0 0 0 0 0 0 0 0 TIMING: 1735000 CPU: 6935.97, 0.00394891/step Wall: 6935.97, 0.00394891/step, 0.839142 hours remaining, 114.421875 MB of memory in use. ENERGY: 1735000 648.9459 1892.5855 1979.2427 116.2652 0.5389 -1099.6873 0.0000 0.0000 2629.9574 6167.8482 290.4861 3537.8908 6197.5825 299.0799 PRESSURE: 1735200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1735200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1735200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1735200 0 0 0 0 0 0 0 0 0 TIMING: 1735200 CPU: 6936.77, 0.00395054/step Wall: 6936.77, 0.00395055/step, 0.839272 hours remaining, 114.421875 MB of memory in use. ENERGY: 1735200 648.6757 1850.5055 1950.0077 103.7509 2.1529 -1086.9181 0.0000 0.0000 2709.8517 6178.0263 299.3107 3468.1746 6209.6907 295.2912 PRESSURE: 1735400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1735400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1735400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1735400 0 0 0 0 0 0 0 0 0 TIMING: 1735400 CPU: 6937.55, 0.00394852/step Wall: 6937.55, 0.00394852/step, 0.838621 hours remaining, 114.421875 MB of memory in use. ENERGY: 1735400 677.2699 1812.9134 1991.9471 111.5355 1.8261 -1057.2714 0.0000 0.0000 2661.5141 6199.7348 293.9716 3538.2206 6231.9397 298.3998 PRESSURE: 1735600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1735600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1735600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1735600 0 0 0 0 0 0 0 0 0 TIMING: 1735600 CPU: 6938.34, 0.00394537/step Wall: 6938.34, 0.00394537/step, 0.837735 hours remaining, 114.421875 MB of memory in use. ENERGY: 1735600 641.2882 1896.8611 1965.0434 117.9789 2.5532 -1074.2080 0.0000 0.0000 2757.5316 6307.0484 304.5770 3549.5168 6340.4765 300.4414 PRESSURE: 1735800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1735800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1735800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1735800 0 0 0 0 0 0 0 0 0 TIMING: 1735800 CPU: 6939.14, 0.0039632/step Wall: 6939.14, 0.0039632/step, 0.8413 hours remaining, 114.421875 MB of memory in use. ENERGY: 1735800 678.2230 1861.4330 1976.5858 106.0942 2.2852 -1080.5429 0.0000 0.0000 2697.7281 6241.8065 297.9716 3544.0784 6276.5756 300.7635 PRESSURE: 1736000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1736000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1736000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1736000 0 0 0 0 0 0 0 0 0 TIMING: 1736000 CPU: 6939.93, 0.00394863/step Wall: 6939.93, 0.00394863/step, 0.837987 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1736000 642.0605 1856.0757 1939.8249 113.3791 2.2391 -1097.4281 0.0000 0.0000 2731.4190 6187.5702 301.6928 3456.1512 6223.8633 299.9878 PRESSURE: 1736200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1736200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1736200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1736200 0 0 0 0 0 0 0 0 0 TIMING: 1736200 CPU: 6940.72, 0.00394961/step Wall: 6940.72, 0.00394961/step, 0.837975 hours remaining, 114.421875 MB of memory in use. ENERGY: 1736200 652.7833 1845.4795 1981.5003 108.2240 2.2921 -1107.0135 0.0000 0.0000 2691.4812 6174.7471 297.2816 3483.2658 6207.8750 297.6220 LDB: ============= START OF LOAD BALANCING ============== 6943.68 LDB: ============== END OF LOAD BALANCING =============== 6943.68 LDB: =============== DONE WITH MIGRATION ================ 6943.68 LDB: ============= START OF LOAD BALANCING ============== 6944.07 LDB: ============== END OF LOAD BALANCING =============== 6944.07 LDB: =============== DONE WITH MIGRATION ================ 6944.07 PRESSURE: 1736400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1736400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1736400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1736400 0 0 0 0 0 0 0 0 0 TIMING: 1736400 CPU: 6941.51, 0.00395361/step Wall: 6941.51, 0.00395361/step, 0.838605 hours remaining, 114.421875 MB of memory in use. ENERGY: 1736400 636.0540 1808.3556 1971.0481 116.3822 1.9599 -1051.0465 0.0000 0.0000 2667.0806 6149.8339 294.5865 3482.7533 6184.1689 295.2103 PRESSURE: 1736600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1736600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1736600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1736600 0 0 0 0 0 0 0 0 0 TIMING: 1736600 CPU: 6942.3, 0.00394527/step Wall: 6942.3, 0.00394527/step, 0.836617 hours remaining, 114.421875 MB of memory in use. ENERGY: 1736600 697.1729 1811.2810 1972.8631 105.2362 2.2112 -1073.1820 0.0000 0.0000 2643.6812 6159.2635 292.0020 3515.5823 6191.2636 295.9389 PRESSURE: 1736800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1736800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1736800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1736800 0 0 0 0 0 0 0 0 0 TIMING: 1736800 CPU: 6943.09, 0.00394908/step Wall: 6943.09, 0.00394908/step, 0.837205 hours remaining, 114.421875 MB of memory in use. ENERGY: 1736800 669.0875 1839.7899 1979.0666 111.9819 2.5200 -1076.8306 0.0000 0.0000 2637.8644 6163.4798 291.3595 3525.6154 6193.7690 296.1205 PRESSURE: 1737000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1737000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1737000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1737000 0 0 0 0 0 0 0 0 0 TIMING: 1737000 CPU: 6943.88, 0.00394653/step Wall: 6943.88, 0.00394653/step, 0.836445 hours remaining, 114.421875 MB of memory in use. ENERGY: 1737000 663.6511 1848.4196 1934.1941 113.6329 3.2812 -1091.0666 0.0000 0.0000 2683.0420 6155.1544 296.3495 3472.1124 6184.3067 297.5824 PRESSURE: 1737200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1737200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1737200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1737200 0 0 0 0 0 0 0 0 0 TIMING: 1737200 CPU: 6944.67, 0.00396317/step Wall: 6944.67, 0.00396317/step, 0.839751 hours remaining, 114.421875 MB of memory in use. ENERGY: 1737200 660.3055 1827.2248 1961.9147 99.8600 3.6832 -1078.7932 0.0000 0.0000 2682.0489 6156.2440 296.2398 3474.1951 6188.6452 296.2719 PRESSURE: 1737400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1737400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1737400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1737400 0 0 0 0 0 0 0 0 0 TIMING: 1737400 CPU: 6945.46, 0.00395234/step Wall: 6945.46, 0.00395234/step, 0.837238 hours remaining, 114.421875 MB of memory in use. ENERGY: 1737400 653.9252 1829.7903 1937.3076 107.5348 4.0891 -1076.7852 0.0000 0.0000 2692.6253 6148.4870 297.4080 3455.8617 6182.5374 296.3616 PRESSURE: 1737600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1737600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1737600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1737600 0 0 0 0 0 0 0 0 0 TIMING: 1737600 CPU: 6946.25, 0.00394729/step Wall: 6946.25, 0.00394729/step, 0.835949 hours remaining, 114.421875 MB of memory in use. ENERGY: 1737600 640.2703 1828.2524 1966.2764 105.4807 2.6730 -1099.6916 0.0000 0.0000 2689.6407 6132.9020 297.0783 3443.2612 6164.4118 296.9167 PRESSURE: 1737800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1737800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1737800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1737800 0 0 0 0 0 0 0 0 0 TIMING: 1737800 CPU: 6947.04, 0.00394862/step Wall: 6947.04, 0.00394862/step, 0.83601 hours remaining, 114.421875 MB of memory in use. ENERGY: 1737800 662.7056 1811.9270 1967.9553 111.5310 2.4711 -1091.9639 0.0000 0.0000 2683.1795 6147.8055 296.3646 3464.6260 6180.5178 295.1294 PRESSURE: 1738000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1738000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1738000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1738000 0 0 0 0 0 0 0 0 0 TIMING: 1738000 CPU: 6947.83, 0.00394873/step Wall: 6947.83, 0.00394873/step, 0.835815 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1738000 651.7723 1834.9504 1965.8298 105.8533 1.7275 -1058.7505 0.0000 0.0000 2644.0206 6145.4035 292.0394 3501.3829 6177.1037 295.4301 PRESSURE: 1738200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1738200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1738200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1738200 0 0 0 0 0 0 0 0 0 TIMING: 1738200 CPU: 6948.62, 0.0039483/step Wall: 6948.62, 0.0039483/step, 0.835503 hours remaining, 114.421875 MB of memory in use. ENERGY: 1738200 651.2876 1835.9482 1933.3838 102.3778 3.4147 -1035.6991 0.0000 0.0000 2656.8615 6147.5745 293.4578 3490.7129 6178.4252 295.0882 PRESSURE: 1738400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1738400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1738400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1738400 0 0 0 0 0 0 0 0 0 TIMING: 1738400 CPU: 6949.41, 0.00394373/step Wall: 6949.41, 0.00394373/step, 0.834318 hours remaining, 114.421875 MB of memory in use. ENERGY: 1738400 619.1120 1812.5341 1937.3735 99.3091 3.4785 -1035.7104 0.0000 0.0000 2694.5833 6130.6800 297.6242 3436.0967 6166.2312 294.1647 PRESSURE: 1738600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1738600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1738600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1738600 0 0 0 0 0 0 0 0 0 TIMING: 1738600 CPU: 6950.2, 0.00394941/step Wall: 6950.2, 0.00394941/step, 0.8353 hours remaining, 114.421875 MB of memory in use. ENERGY: 1738600 643.1109 1811.1259 1956.2376 94.2832 3.7741 -1065.8073 0.0000 0.0000 2651.0268 6093.7512 292.8133 3442.7244 6124.7881 294.0564 PRESSURE: 1738800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1738800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1738800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1738800 0 0 0 0 0 0 0 0 0 TIMING: 1738800 CPU: 6950.99, 0.00394926/step Wall: 6950.99, 0.00394926/step, 0.83505 hours remaining, 114.421875 MB of memory in use. ENERGY: 1738800 656.1239 1801.7953 1949.8813 106.0395 3.7527 -1067.3159 0.0000 0.0000 2638.0005 6088.2773 291.3745 3450.2768 6118.0245 293.1442 PRESSURE: 1739000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1739000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1739000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1739000 0 0 0 0 0 0 0 0 0 TIMING: 1739000 CPU: 6951.78, 0.00395059/step Wall: 6951.78, 0.00395059/step, 0.83511 hours remaining, 114.421875 MB of memory in use. ENERGY: 1739000 618.8431 1830.8750 1952.6049 93.5930 2.4187 -1100.4960 0.0000 0.0000 2652.2520 6050.0906 292.9486 3397.8387 6083.0379 292.9806 PRESSURE: 1739200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1739200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1739200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1739200 0 0 0 0 0 0 0 0 0 TIMING: 1739200 CPU: 6952.57, 0.00394968/step Wall: 6952.57, 0.00394968/step, 0.834698 hours remaining, 114.421875 MB of memory in use. ENERGY: 1739200 671.7890 1825.6400 1944.3001 100.9388 4.3440 -1107.7078 0.0000 0.0000 2641.1345 6080.4387 291.7207 3439.3042 6109.4079 292.2019 PRESSURE: 1739400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1739400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1739400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1739400 0 0 0 0 0 0 0 0 0 TIMING: 1739400 CPU: 6953.35, 0.00394401/step Wall: 6953.35, 0.00394401/step, 0.833283 hours remaining, 114.421875 MB of memory in use. ENERGY: 1739400 642.0966 1848.7968 1954.0564 115.9448 3.0528 -1108.3390 0.0000 0.0000 2628.6158 6084.2242 290.3379 3455.6084 6114.7895 293.1675 PRESSURE: 1739600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1739600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1739600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1739600 0 0 0 0 0 0 0 0 0 TIMING: 1739600 CPU: 6954.14, 0.00394834/step Wall: 6954.14, 0.00394834/step, 0.833977 hours remaining, 114.421875 MB of memory in use. ENERGY: 1739600 650.0187 1810.4530 1932.4084 108.1095 3.7981 -1073.1586 0.0000 0.0000 2657.1175 6088.7466 293.4860 3431.6291 6118.9194 292.5320 PRESSURE: 1739800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1739800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1739800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1739800 0 0 0 0 0 0 0 0 0 TIMING: 1739800 CPU: 6954.93, 0.00394686/step Wall: 6954.93, 0.00394686/step, 0.833445 hours remaining, 114.421875 MB of memory in use. ENERGY: 1739800 642.4148 1800.2500 1961.8557 108.5690 5.3958 -1080.3711 0.0000 0.0000 2709.8009 6147.9150 299.3051 3438.1141 6182.5277 294.9095 PRESSURE: 1740000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1740000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1740000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1740000 0 0 0 0 0 0 0 0 0 TIMING: 1740000 CPU: 6955.72, 0.0039485/step Wall: 6955.72, 0.0039485/step, 0.833571 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1740000 634.0173 1833.1047 1962.8341 114.5022 2.7878 -1110.0162 0.0000 0.0000 2678.1001 6115.3298 295.8036 3437.2297 6146.2314 294.9890 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1740000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1740000 WRITING COORDINATES TO RESTART FILE AT STEP 1740000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1740000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1740200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1740200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1740200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1740200 0 0 0 0 0 0 0 0 0 TIMING: 1740200 CPU: 6956.56, 0.00418874/step Wall: 6956.56, 0.00418874/step, 0.884056 hours remaining, 114.421875 MB of memory in use. ENERGY: 1740200 659.5889 1848.8819 1946.0722 108.2997 3.1904 -1111.3157 0.0000 0.0000 2721.4559 6176.1733 300.5924 3454.7174 6208.2582 294.2904 LDB: ============= START OF LOAD BALANCING ============== 6959.52 LDB: ============== END OF LOAD BALANCING =============== 6959.52 LDB: =============== DONE WITH MIGRATION ================ 6959.52 LDB: ============= START OF LOAD BALANCING ============== 6959.91 LDB: ============== END OF LOAD BALANCING =============== 6959.91 LDB: =============== DONE WITH MIGRATION ================ 6959.91 PRESSURE: 1740400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1740400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1740400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1740400 0 0 0 0 0 0 0 0 0 TIMING: 1740400 CPU: 6957.35, 0.00394905/step Wall: 6957.35, 0.00394905/step, 0.83325 hours remaining, 114.421875 MB of memory in use. ENERGY: 1740400 642.2482 1852.0214 1957.2627 99.6202 1.9719 -1082.2079 0.0000 0.0000 2699.9464 6170.8629 298.2166 3470.9166 6203.5136 297.4881 PRESSURE: 1740600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1740600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1740600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1740600 0 0 0 0 0 0 0 0 0 TIMING: 1740600 CPU: 6958.14, 0.00395002/step Wall: 6958.14, 0.00395002/step, 0.833236 hours remaining, 114.421875 MB of memory in use. ENERGY: 1740600 635.1546 1755.9655 1967.0944 101.3470 2.6678 -1039.7724 0.0000 0.0000 2759.2969 6181.7538 304.7720 3422.4569 6215.3655 299.3734 PRESSURE: 1740800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1740800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1740800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1740800 0 0 0 0 0 0 0 0 0 TIMING: 1740800 CPU: 6958.93, 0.0039486/step Wall: 6958.93, 0.0039486/step, 0.832715 hours remaining, 114.421875 MB of memory in use. ENERGY: 1740800 656.3902 1893.1878 1961.2444 106.2957 3.7186 -1126.4462 0.0000 0.0000 2705.8678 6200.2585 298.8706 3494.3906 6232.0292 300.1588 PRESSURE: 1741000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1741000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1741000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1741000 0 0 0 0 0 0 0 0 0 TIMING: 1741000 CPU: 6959.72, 0.00394941/step Wall: 6959.72, 0.00394941/step, 0.832667 hours remaining, 114.421875 MB of memory in use. ENERGY: 1741000 677.0227 1905.3943 1965.8575 103.2989 3.4452 -1079.3134 0.0000 0.0000 2630.3653 6206.0706 290.5312 3575.7053 6237.8673 300.0249 PRESSURE: 1741200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1741200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1741200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1741200 0 0 0 0 0 0 0 0 0 TIMING: 1741200 CPU: 6960.51, 0.00394982/step Wall: 6960.51, 0.00394982/step, 0.832534 hours remaining, 114.421875 MB of memory in use. ENERGY: 1741200 645.2165 1909.4230 1955.9420 123.5828 2.9671 -1118.3449 0.0000 0.0000 2707.1576 6225.9440 299.0131 3518.7865 6257.3836 299.9370 PRESSURE: 1741400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1741400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1741400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1741400 0 0 0 0 0 0 0 0 0 TIMING: 1741400 CPU: 6961.3, 0.00394484/step Wall: 6961.3, 0.00394484/step, 0.831266 hours remaining, 114.421875 MB of memory in use. ENERGY: 1741400 656.8343 1821.0938 1964.6856 106.8732 3.6785 -1092.1422 0.0000 0.0000 2729.3571 6190.3802 301.4651 3461.0231 6223.6083 300.4355 PRESSURE: 1741600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1741600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1741600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1741600 0 0 0 0 0 0 0 0 0 TIMING: 1741600 CPU: 6962.09, 0.00394918/step Wall: 6962.09, 0.00394918/step, 0.831961 hours remaining, 114.421875 MB of memory in use. ENERGY: 1741600 663.4072 1846.0207 1954.6705 114.8419 2.9534 -1093.0099 0.0000 0.0000 2721.2217 6210.1054 300.5665 3488.8837 6244.2625 298.5701 PRESSURE: 1741800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1741800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1741800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1741800 0 0 0 0 0 0 0 0 0 TIMING: 1741800 CPU: 6962.88, 0.0039483/step Wall: 6962.88, 0.0039483/step, 0.831556 hours remaining, 114.421875 MB of memory in use. ENERGY: 1741800 671.4705 1847.3273 1952.2361 112.9315 3.1573 -1099.9621 0.0000 0.0000 2727.5229 6214.6835 301.2625 3487.1606 6245.8845 301.3742 PRESSURE: 1742000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1742000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1742000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1742000 0 0 0 0 0 0 0 0 0 TIMING: 1742000 CPU: 6963.67, 0.00394892/step Wall: 6963.67, 0.00394892/step, 0.831467 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1742000 675.7107 1874.8725 1987.0346 115.1561 1.7547 -1102.2947 0.0000 0.0000 2724.8047 6277.0387 300.9623 3552.2340 6311.5196 302.6065 PRESSURE: 1742200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1742200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1742200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1742200 0 0 0 0 0 0 0 0 0 TIMING: 1742200 CPU: 6964.46, 0.00394951/step Wall: 6964.46, 0.00394952/step, 0.831373 hours remaining, 114.421875 MB of memory in use. ENERGY: 1742200 681.6125 1861.2026 1954.4735 101.8472 2.7800 -1117.4713 0.0000 0.0000 2777.7215 6262.1661 306.8071 3484.4446 6297.4212 303.6286 PRESSURE: 1742400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1742400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1742400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1742400 0 0 0 0 0 0 0 0 0 TIMING: 1742400 CPU: 6965.25, 0.00394521/step Wall: 6965.25, 0.00394521/step, 0.830249 hours remaining, 114.421875 MB of memory in use. ENERGY: 1742400 683.2209 1806.7121 1946.4745 104.1074 3.7068 -1063.1280 0.0000 0.0000 2750.4733 6231.5670 303.7974 3481.0937 6266.2330 300.8279 PRESSURE: 1742600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1742600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1742600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1742600 0 0 0 0 0 0 0 0 0 TIMING: 1742600 CPU: 6966.04, 0.00395169/step Wall: 6966.04, 0.00395169/step, 0.831392 hours remaining, 114.421875 MB of memory in use. ENERGY: 1742600 655.9786 1834.1896 1953.0410 119.5901 3.3976 -1074.2534 0.0000 0.0000 2766.1015 6258.0449 305.5236 3491.9435 6292.6708 301.7802 PRESSURE: 1742800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1742800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1742800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1742800 0 0 0 0 0 0 0 0 0 TIMING: 1742800 CPU: 6966.83, 0.0039484/step Wall: 6966.83, 0.0039484/step, 0.830481 hours remaining, 114.421875 MB of memory in use. ENERGY: 1742800 643.8349 1855.2874 1932.6181 92.3491 2.7206 -1051.8090 0.0000 0.0000 2721.2646 6196.2657 300.5713 3475.0011 6228.5877 300.5307 PRESSURE: 1743000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1743000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1743000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1743000 0 0 0 0 0 0 0 0 0 TIMING: 1743000 CPU: 6967.62, 0.00394852/step Wall: 6967.62, 0.00394852/step, 0.830286 hours remaining, 114.421875 MB of memory in use. ENERGY: 1743000 652.3002 1851.9852 1959.2916 107.4665 2.4731 -1055.4971 0.0000 0.0000 2664.4418 6182.4614 294.2950 3518.0196 6212.2728 298.2978 PRESSURE: 1743200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1743200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1743200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1743200 0 0 0 0 0 0 0 0 0 TIMING: 1743200 CPU: 6968.41, 0.00394321/step Wall: 6968.41, 0.00394321/step, 0.828951 hours remaining, 114.421875 MB of memory in use. ENERGY: 1743200 649.3818 1833.0984 1951.7696 118.9689 1.8803 -1060.2980 0.0000 0.0000 2657.9106 6152.7116 293.5736 3494.8010 6185.5025 297.6137 PRESSURE: 1743400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1743400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1743400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1743400 0 0 0 0 0 0 0 0 0 TIMING: 1743400 CPU: 6969.2, 0.00394828/step Wall: 6969.2, 0.00394828/step, 0.829797 hours remaining, 114.421875 MB of memory in use. ENERGY: 1743400 655.5381 1811.9911 1988.1439 107.0422 2.1963 -1095.9797 0.0000 0.0000 2630.8361 6099.7680 290.5832 3468.9319 6132.0995 295.4786 PRESSURE: 1743600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1743600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1743600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1743600 0 0 0 0 0 0 0 0 0 TIMING: 1743600 CPU: 6969.99, 0.00394956/step Wall: 6969.99, 0.00394956/step, 0.829845 hours remaining, 114.421875 MB of memory in use. ENERGY: 1743600 653.8418 1774.3368 1974.1133 97.2444 3.1770 -1063.1922 0.0000 0.0000 2737.1149 6176.6360 302.3220 3439.5211 6209.2599 294.7553 PRESSURE: 1743800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1743800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1743800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1743800 0 0 0 0 0 0 0 0 0 TIMING: 1743800 CPU: 6970.77, 0.00394915/step Wall: 6970.77, 0.00394915/step, 0.829541 hours remaining, 114.421875 MB of memory in use. ENERGY: 1743800 636.8284 1795.8382 1965.9588 109.3018 1.5025 -1076.6057 0.0000 0.0000 2707.5225 6140.3466 299.0534 3432.8240 6173.4151 297.2976 PRESSURE: 1744000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1744000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1744000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1744000 0 0 0 0 0 0 0 0 0 TIMING: 1744000 CPU: 6971.57, 0.00395094/step Wall: 6971.57, 0.00395094/step, 0.829697 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1744000 656.3375 1815.5438 1991.0349 98.5880 1.2385 -1106.7680 0.0000 0.0000 2649.2486 6105.2233 292.6169 3455.9747 6136.6644 295.9683 PRESSURE: 1744200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1744200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1744200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1744200 0 0 0 0 0 0 0 0 0 TIMING: 1744200 CPU: 6972.35, 0.00394392/step Wall: 6972.35, 0.00394391/step, 0.828003 hours remaining, 114.421875 MB of memory in use. ENERGY: 1744200 680.3241 1776.5847 1979.6384 101.1783 4.1652 -1077.8799 0.0000 0.0000 2684.2555 6148.2664 296.4835 3464.0109 6180.7623 295.4753 LDB: ============= START OF LOAD BALANCING ============== 6975.31 LDB: ============== END OF LOAD BALANCING =============== 6975.31 LDB: =============== DONE WITH MIGRATION ================ 6975.31 LDB: ============= START OF LOAD BALANCING ============== 6975.71 LDB: ============== END OF LOAD BALANCING =============== 6975.71 LDB: =============== DONE WITH MIGRATION ================ 6975.71 PRESSURE: 1744400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1744400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1744400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1744400 0 0 0 0 0 0 0 0 0 TIMING: 1744400 CPU: 6973.14, 0.00395438/step Wall: 6973.14, 0.00395439/step, 0.829983 hours remaining, 114.421875 MB of memory in use. ENERGY: 1744400 648.4744 1815.6414 1969.8736 104.8102 3.5422 -1066.1493 0.0000 0.0000 2693.0891 6169.2817 297.4592 3476.1926 6201.9865 298.5409 PRESSURE: 1744600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1744600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1744600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1744600 0 0 0 0 0 0 0 0 0 TIMING: 1744600 CPU: 6973.93, 0.00394834/step Wall: 6973.93, 0.00394834/step, 0.828493 hours remaining, 114.421875 MB of memory in use. ENERGY: 1744600 649.2981 1869.6295 1958.5109 116.4883 3.6700 -1088.4264 0.0000 0.0000 2666.5833 6175.7537 294.5315 3509.1704 6206.8266 297.7527 PRESSURE: 1744800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1744800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1744800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1744800 0 0 0 0 0 0 0 0 0 TIMING: 1744800 CPU: 6974.72, 0.00394806/step Wall: 6974.72, 0.00394805/step, 0.828214 hours remaining, 114.421875 MB of memory in use. ENERGY: 1744800 665.9691 1846.0177 1949.6983 100.5848 3.7802 -1086.3875 0.0000 0.0000 2677.4445 6157.1071 295.7312 3479.6626 6189.1967 296.7365 PRESSURE: 1745000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1745000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1745000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1745000 0 0 0 0 0 0 0 0 0 TIMING: 1745000 CPU: 6975.51, 0.00394943/step Wall: 6975.51, 0.00394944/step, 0.828285 hours remaining, 114.421875 MB of memory in use. ENERGY: 1745000 656.0105 1796.8468 1985.5698 99.5951 4.1988 -1088.5743 0.0000 0.0000 2687.1954 6140.8421 296.8082 3453.6467 6176.1241 296.0279 PRESSURE: 1745200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1745200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1745200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1745200 0 0 0 0 0 0 0 0 0 TIMING: 1745200 CPU: 6976.3, 0.00394225/step Wall: 6976.3, 0.00394225/step, 0.826559 hours remaining, 114.421875 MB of memory in use. ENERGY: 1745200 642.4142 1883.4140 1981.1064 108.9377 2.8082 -1083.8941 0.0000 0.0000 2739.2601 6274.0465 302.5589 3534.7864 6307.3977 299.1050 PRESSURE: 1745400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1745400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1745400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1745400 0 0 0 0 0 0 0 0 0 TIMING: 1745400 CPU: 6977.09, 0.00395006/step Wall: 6977.09, 0.00395006/step, 0.827977 hours remaining, 114.421875 MB of memory in use. ENERGY: 1745400 646.9225 1834.2629 1952.5080 108.6350 2.2767 -1059.1898 0.0000 0.0000 2697.1636 6182.5789 297.9092 3485.4153 6217.4739 300.4898 PRESSURE: 1745600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1745600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1745600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1745600 0 0 0 0 0 0 0 0 0 TIMING: 1745600 CPU: 6977.88, 0.00394786/step Wall: 6977.88, 0.00394786/step, 0.827297 hours remaining, 114.421875 MB of memory in use. ENERGY: 1745600 631.6480 1820.0911 1988.7799 122.6475 3.7627 -1064.7913 0.0000 0.0000 2718.8008 6220.9387 300.2991 3502.1379 6252.1864 299.7535 PRESSURE: 1745800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1745800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1745800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1745800 0 0 0 0 0 0 0 0 0 TIMING: 1745800 CPU: 6978.67, 0.00395288/step Wall: 6978.67, 0.00395288/step, 0.828129 hours remaining, 114.421875 MB of memory in use. ENERGY: 1745800 682.4752 1837.2195 1938.3483 120.9108 2.9175 -1112.9212 0.0000 0.0000 2727.2074 6196.1575 301.2277 3468.9501 6228.3309 298.8834 PRESSURE: 1746000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1746000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1746000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1746000 0 0 0 0 0 0 0 0 0 TIMING: 1746000 CPU: 6979.46, 0.00394382/step Wall: 6979.46, 0.00394382/step, 0.82601 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1746000 678.7426 1811.8491 1949.6091 101.6934 3.1387 -1091.4968 0.0000 0.0000 2664.4723 6118.0083 294.2984 3453.5360 6149.7066 296.7405 PRESSURE: 1746200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1746200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1746200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1746200 0 0 0 0 0 0 0 0 0 TIMING: 1746200 CPU: 6980.25, 0.00394786/step Wall: 6980.25, 0.00394786/step, 0.826638 hours remaining, 114.421875 MB of memory in use. ENERGY: 1746200 652.5354 1807.7482 1950.1374 101.4858 3.7141 -1057.3777 0.0000 0.0000 2669.9036 6128.1468 294.8983 3458.2432 6160.5572 295.2783 PRESSURE: 1746400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1746400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1746400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1746400 0 0 0 0 0 0 0 0 0 TIMING: 1746400 CPU: 6981.04, 0.00394648/step Wall: 6981.04, 0.00394648/step, 0.82613 hours remaining, 114.421875 MB of memory in use. ENERGY: 1746400 655.9169 1832.6046 1941.7231 115.0222 2.7632 -1066.8791 0.0000 0.0000 2677.2948 6158.4458 295.7147 3481.1510 6190.7168 295.0927 PRESSURE: 1746600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1746600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1746600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1746600 0 0 0 0 0 0 0 0 0 TIMING: 1746600 CPU: 6981.83, 0.00394677/step Wall: 6981.83, 0.00394677/step, 0.825971 hours remaining, 114.421875 MB of memory in use. ENERGY: 1746600 672.3167 1853.1744 1937.5925 107.2786 3.3278 -1050.8330 0.0000 0.0000 2692.1881 6215.0451 297.3597 3522.8570 6246.8130 298.2521 PRESSURE: 1746800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1746800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1746800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1746800 0 0 0 0 0 0 0 0 0 TIMING: 1746800 CPU: 6982.62, 0.00394599/step Wall: 6982.62, 0.00394599/step, 0.825589 hours remaining, 114.421875 MB of memory in use. ENERGY: 1746800 688.5329 1815.2715 1981.1243 105.5592 3.2639 -1064.3906 0.0000 0.0000 2776.1296 6305.4908 306.6312 3529.3612 6338.8124 302.2163 PRESSURE: 1747000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1747000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1747000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1747000 0 0 0 0 0 0 0 0 0 TIMING: 1747000 CPU: 6983.41, 0.00394346/step Wall: 6983.41, 0.00394346/step, 0.824839 hours remaining, 114.421875 MB of memory in use. ENERGY: 1747000 647.2902 1865.0470 1983.5565 109.9697 2.9720 -1038.1114 0.0000 0.0000 2774.9179 6345.6418 306.4974 3570.7239 6377.9875 305.1161 PRESSURE: 1747200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1747200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1747200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1747200 0 0 0 0 0 0 0 0 0 TIMING: 1747200 CPU: 6984.2, 0.00394683/step Wall: 6984.2, 0.00394683/step, 0.825327 hours remaining, 114.421875 MB of memory in use. ENERGY: 1747200 688.4284 1857.3021 1966.5397 106.9222 2.3875 -1041.2262 0.0000 0.0000 2722.1889 6302.5425 300.6733 3580.3536 6335.5153 305.7553 PRESSURE: 1747400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1747400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1747400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1747400 0 0 0 0 0 0 0 0 0 TIMING: 1747400 CPU: 6984.99, 0.00394772/step Wall: 6984.99, 0.00394772/step, 0.825293 hours remaining, 114.421875 MB of memory in use. ENERGY: 1747400 674.2276 1840.9823 1970.6017 103.4255 2.7756 -1084.7677 0.0000 0.0000 2754.9684 6262.2135 304.2939 3507.2451 6297.2382 304.0967 PRESSURE: 1747600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1747600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1747600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1747600 0 0 0 0 0 0 0 0 0 TIMING: 1747600 CPU: 6985.78, 0.00394794/step Wall: 6985.78, 0.00394794/step, 0.825118 hours remaining, 114.421875 MB of memory in use. ENERGY: 1747600 639.5337 1847.9216 1967.8297 115.3518 2.1341 -1071.3109 0.0000 0.0000 2697.0853 6198.5453 297.9006 3501.4600 6230.8169 299.5773 PRESSURE: 1747800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1747800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1747800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1747800 0 0 0 0 0 0 0 0 0 TIMING: 1747800 CPU: 6986.57, 0.00394717/step Wall: 6986.57, 0.00394717/step, 0.824738 hours remaining, 114.421875 MB of memory in use. ENERGY: 1747800 651.9654 1829.5660 1975.6440 113.3328 1.7467 -1060.0986 0.0000 0.0000 2702.4049 6214.5611 298.4882 3512.1562 6249.9036 300.9768 PRESSURE: 1748000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1748000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1748000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1748000 0 0 0 0 0 0 0 0 0 TIMING: 1748000 CPU: 6987.35, 0.00394385/step Wall: 6987.35, 0.00394385/step, 0.823827 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1748000 622.3494 1873.2317 1982.5853 103.2044 2.5198 -1058.3666 0.0000 0.0000 2735.2372 6260.7612 302.1146 3525.5240 6293.2211 301.8957 PRESSURE: 1748200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1748200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1748200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1748200 0 0 0 0 0 0 0 0 0 TIMING: 1748200 CPU: 6988.14, 0.00394608/step Wall: 6988.14, 0.00394608/step, 0.824074 hours remaining, 114.421875 MB of memory in use. ENERGY: 1748200 660.8682 1834.2606 1969.9630 114.0575 2.5318 -1063.7772 0.0000 0.0000 2789.5439 6307.4479 308.1129 3517.9039 6343.4553 304.0632 LDB: ============= START OF LOAD BALANCING ============== 6991.1 LDB: ============== END OF LOAD BALANCING =============== 6991.1 LDB: =============== DONE WITH MIGRATION ================ 6991.1 LDB: ============= START OF LOAD BALANCING ============== 6991.5 LDB: ============== END OF LOAD BALANCING =============== 6991.5 LDB: =============== DONE WITH MIGRATION ================ 6991.5 PRESSURE: 1748400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1748400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1748400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1748400 0 0 0 0 0 0 0 0 0 TIMING: 1748400 CPU: 6988.93, 0.00395316/step Wall: 6988.93, 0.00395316/step, 0.825331 hours remaining, 114.421875 MB of memory in use. ENERGY: 1748400 682.8042 1921.0349 1976.2480 107.1683 2.5108 -1104.2774 0.0000 0.0000 2719.1954 6304.6843 300.3427 3585.4889 6337.6591 303.4847 PRESSURE: 1748600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1748600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1748600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1748600 0 0 0 0 0 0 0 0 0 TIMING: 1748600 CPU: 6989.72, 0.00394939/step Wall: 6989.72, 0.00394939/step, 0.824326 hours remaining, 114.421875 MB of memory in use. ENERGY: 1748600 644.1504 1884.6521 1960.2221 101.6591 2.2080 -1036.5248 0.0000 0.0000 2742.9985 6299.3655 302.9718 3556.3670 6333.9942 304.2919 PRESSURE: 1748800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1748800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1748800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1748800 0 0 0 0 0 0 0 0 0 TIMING: 1748800 CPU: 6990.51, 0.00395139/step Wall: 6990.51, 0.00395139/step, 0.824522 hours remaining, 114.421875 MB of memory in use. ENERGY: 1748800 659.7470 1857.2266 1955.8499 105.6033 1.9802 -1068.9458 0.0000 0.0000 2764.5817 6276.0428 305.3558 3511.4611 6309.4871 304.5446 PRESSURE: 1749000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1749000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1749000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1749000 0 0 0 0 0 0 0 0 0 TIMING: 1749000 CPU: 6991.3, 0.00394598/step Wall: 6991.3, 0.00394598/step, 0.823174 hours remaining, 114.421875 MB of memory in use. ENERGY: 1749000 651.0540 1826.6507 1969.2325 97.4906 2.5691 -1076.1301 0.0000 0.0000 2758.1792 6229.0460 304.6486 3470.8667 6263.6168 300.9954 PRESSURE: 1749200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1749200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1749200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1749200 0 0 0 0 0 0 0 0 0 TIMING: 1749200 CPU: 6992.09, 0.00395/step Wall: 6992.09, 0.00395/step, 0.823795 hours remaining, 114.421875 MB of memory in use. ENERGY: 1749200 623.5211 1835.9481 1970.2803 108.5025 2.5126 -1062.4456 0.0000 0.0000 2700.0975 6178.4166 298.2333 3478.3191 6212.8032 299.4867 PRESSURE: 1749400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1749400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1749400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1749400 0 0 0 0 0 0 0 0 0 TIMING: 1749400 CPU: 6992.88, 0.00394906/step Wall: 6992.88, 0.00394906/step, 0.823378 hours remaining, 114.421875 MB of memory in use. ENERGY: 1749400 609.6025 1842.4620 1966.4304 103.6347 3.1532 -1056.3904 0.0000 0.0000 2662.9759 6131.8682 294.1331 3468.8924 6163.1948 296.5075 PRESSURE: 1749600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1749600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1749600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1749600 0 0 0 0 0 0 0 0 0 TIMING: 1749600 CPU: 6993.67, 0.00394846/step Wall: 6993.67, 0.00394846/step, 0.823035 hours remaining, 114.421875 MB of memory in use. ENERGY: 1749600 668.1402 1826.2325 1984.2432 106.8865 4.1125 -1095.6727 0.0000 0.0000 2719.0028 6212.9448 300.3214 3493.9420 6245.0536 297.8861 PRESSURE: 1749800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1749800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1749800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1749800 0 0 0 0 0 0 0 0 0 TIMING: 1749800 CPU: 6994.46, 0.00394423/step Wall: 6994.46, 0.00394423/step, 0.821934 hours remaining, 114.421875 MB of memory in use. ENERGY: 1749800 624.6457 1871.0842 1977.4852 104.6792 4.0899 -1076.4432 0.0000 0.0000 2668.7778 6174.3187 294.7739 3505.5410 6205.9279 298.0843 PRESSURE: 1750000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1750000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1750000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1750000 0 0 0 0 0 0 0 0 0 TIMING: 1750000 CPU: 6995.25, 0.00394848/step Wall: 6995.25, 0.00394848/step, 0.8226 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1750000 630.6121 1798.5522 1966.3147 111.6939 3.5119 -1078.9875 0.0000 0.0000 2759.8879 6191.5852 304.8373 3431.6973 6230.1506 297.2002 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1750000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1750000 WRITING COORDINATES TO RESTART FILE AT STEP 1750000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1750000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1750200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1750200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1750200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1750200 0 0 0 0 0 0 0 0 0 TIMING: 1750200 CPU: 6996.08, 0.00414399/step Wall: 6996.08, 0.00414399/step, 0.863101 hours remaining, 114.421875 MB of memory in use. ENERGY: 1750200 642.4825 1795.8329 1963.9855 113.6036 2.4879 -1103.4134 0.0000 0.0000 2755.0908 6170.0698 304.3074 3414.9790 6205.3706 298.8069 PRESSURE: 1750400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1750400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1750400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1750400 0 0 0 0 0 0 0 0 0 TIMING: 1750400 CPU: 6996.87, 0.00394642/step Wall: 6996.87, 0.00394642/step, 0.821733 hours remaining, 114.421875 MB of memory in use. ENERGY: 1750400 626.9102 1916.0488 1941.9852 110.2168 0.8291 -1073.1205 0.0000 0.0000 2678.2439 6201.1135 295.8195 3522.8696 6232.2559 298.7529 PRESSURE: 1750600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1750600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1750600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1750600 0 0 0 0 0 0 0 0 0 TIMING: 1750600 CPU: 6997.66, 0.00394814/step Wall: 6997.66, 0.00394814/step, 0.821872 hours remaining, 114.421875 MB of memory in use. ENERGY: 1750600 635.9948 1786.2046 1965.6697 103.8441 2.7463 -1031.9770 0.0000 0.0000 2757.4658 6219.9484 304.5698 3462.4826 6255.5258 299.5439 PRESSURE: 1750800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1750800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1750800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1750800 0 0 0 0 0 0 0 0 0 TIMING: 1750800 CPU: 6998.45, 0.00394433/step Wall: 6998.45, 0.00394433/step, 0.820859 hours remaining, 114.421875 MB of memory in use. ENERGY: 1750800 670.5368 1837.0223 1955.3478 98.4167 1.7893 -1069.2006 0.0000 0.0000 2701.0487 6194.9610 298.3384 3493.9123 6223.8160 299.3145 PRESSURE: 1751000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1751000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1751000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1751000 0 0 0 0 0 0 0 0 0 TIMING: 1751000 CPU: 6999.24, 0.00394813/step Wall: 6999.24, 0.00394813/step, 0.821431 hours remaining, 114.421875 MB of memory in use. ENERGY: 1751000 648.6070 1849.9969 1952.0526 106.7899 3.3354 -1080.3341 0.0000 0.0000 2728.5651 6209.0128 301.3776 3480.4478 6241.7594 298.0660 PRESSURE: 1751200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1751200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1751200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1751200 0 0 0 0 0 0 0 0 0 TIMING: 1751200 CPU: 7000.03, 0.00394813/step Wall: 7000.03, 0.00394813/step, 0.821212 hours remaining, 114.421875 MB of memory in use. ENERGY: 1751200 646.1622 1821.0944 1970.1698 102.9275 2.4868 -1078.8727 0.0000 0.0000 2647.8896 6111.8576 292.4668 3463.9680 6144.9494 296.8833 PRESSURE: 1751400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1751400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1751400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1751400 0 0 0 0 0 0 0 0 0 TIMING: 1751400 CPU: 7000.82, 0.00394709/step Wall: 7000.82, 0.00394709/step, 0.820776 hours remaining, 114.421875 MB of memory in use. ENERGY: 1751400 631.3587 1796.7140 1951.0748 113.1930 1.6465 -1052.7319 0.0000 0.0000 2654.6950 6095.9501 293.2185 3441.2552 6125.9069 294.1657 PRESSURE: 1751600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1751600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1751600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1751600 0 0 0 0 0 0 0 0 0 TIMING: 1751600 CPU: 7001.61, 0.00394632/step Wall: 7001.61, 0.00394632/step, 0.820397 hours remaining, 114.421875 MB of memory in use. ENERGY: 1751600 625.0345 1828.4193 1941.0221 105.8309 3.7553 -1095.7217 0.0000 0.0000 2739.0682 6147.4086 302.5377 3408.3404 6178.1075 294.3751 PRESSURE: 1751800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1751800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1751800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1751800 0 0 0 0 0 0 0 0 0 TIMING: 1751800 CPU: 7002.39, 0.00394407/step Wall: 7002.39, 0.00394407/step, 0.819709 hours remaining, 114.421875 MB of memory in use. ENERGY: 1751800 659.3131 1828.3104 1951.7980 99.2333 1.9530 -1065.0105 0.0000 0.0000 2669.9303 6145.5277 294.9012 3475.5974 6176.8875 296.5833 PRESSURE: 1752000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1752000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1752000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1752000 0 0 0 0 0 0 0 0 0 TIMING: 1752000 CPU: 7003.18, 0.00394792/step Wall: 7003.18, 0.00394792/step, 0.82029 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1752000 617.2312 1823.7999 1939.5083 95.1489 2.6017 -1068.4502 0.0000 0.0000 2714.1384 6123.9783 299.7841 3409.8399 6156.0117 295.4358 PRESSURE: 1752200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1752200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1752200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1752200 0 0 0 0 0 0 0 0 0 TIMING: 1752200 CPU: 7003.97, 0.00394691/step Wall: 7003.97, 0.00394691/step, 0.81986 hours remaining, 114.421875 MB of memory in use. ENERGY: 1752200 704.8658 1835.3248 1950.8730 116.6714 1.3049 -1097.8182 0.0000 0.0000 2670.3891 6181.6108 294.9519 3511.2217 6210.9937 297.8615 LDB: ============= START OF LOAD BALANCING ============== 7006.93 LDB: ============== END OF LOAD BALANCING =============== 7006.93 LDB: =============== DONE WITH MIGRATION ================ 7006.93 LDB: ============= START OF LOAD BALANCING ============== 7007.33 LDB: ============== END OF LOAD BALANCING =============== 7007.33 LDB: =============== DONE WITH MIGRATION ================ 7007.33 PRESSURE: 1752400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1752400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1752400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1752400 0 0 0 0 0 0 0 0 0 TIMING: 1752400 CPU: 7004.77, 0.00396522/step Wall: 7004.77, 0.00396522/step, 0.823444 hours remaining, 114.421875 MB of memory in use. ENERGY: 1752400 603.4917 1828.1628 1969.9886 103.1570 2.2738 -1080.4700 0.0000 0.0000 2748.6705 6175.2743 303.5983 3426.6038 6211.9737 299.0008 PRESSURE: 1752600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1752600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1752600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1752600 0 0 0 0 0 0 0 0 0 TIMING: 1752600 CPU: 7005.56, 0.00395271/step Wall: 7005.56, 0.00395271/step, 0.820627 hours remaining, 114.421875 MB of memory in use. ENERGY: 1752600 647.5541 1890.3260 1937.3090 101.4703 2.6282 -1111.0311 0.0000 0.0000 2705.7541 6174.0105 298.8581 3468.2565 6209.1507 297.9572 PRESSURE: 1752800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1752800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1752800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1752800 0 0 0 0 0 0 0 0 0 TIMING: 1752800 CPU: 7006.35, 0.00394715/step Wall: 7006.35, 0.00394714/step, 0.819252 hours remaining, 114.421875 MB of memory in use. ENERGY: 1752800 684.1737 1832.4598 1953.2047 103.4518 2.1939 -1116.2828 0.0000 0.0000 2664.1199 6123.3209 294.2595 3459.2011 6152.8528 297.8081 PRESSURE: 1753000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1753000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1753000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1753000 0 0 0 0 0 0 0 0 0 TIMING: 1753000 CPU: 7007.14, 0.00394919/step Wall: 7007.14, 0.00394919/step, 0.819457 hours remaining, 114.421875 MB of memory in use. ENERGY: 1753000 656.0852 1844.8433 1948.3019 104.8828 1.9330 -1079.3060 0.0000 0.0000 2672.6948 6149.4350 295.2066 3476.7402 6185.7472 297.3110 PRESSURE: 1753200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1753200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1753200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1753200 0 0 0 0 0 0 0 0 0 TIMING: 1753200 CPU: 7007.93, 0.00394677/step Wall: 7007.93, 0.00394677/step, 0.818735 hours remaining, 114.421875 MB of memory in use. ENERGY: 1753200 645.7914 1830.9812 1915.9185 108.1415 1.7099 -1083.4043 0.0000 0.0000 2725.1590 6144.2972 301.0014 3419.1382 6179.9472 298.5000 PRESSURE: 1753400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1753400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1753400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1753400 0 0 0 0 0 0 0 0 0 TIMING: 1753400 CPU: 7008.71, 0.00394563/step Wall: 7008.71, 0.00394563/step, 0.818279 hours remaining, 114.421875 MB of memory in use. ENERGY: 1753400 688.6000 1842.8831 1949.7377 97.4229 1.2667 -1118.9349 0.0000 0.0000 2690.2116 6151.1872 297.1414 3460.9756 6182.2926 298.3990 PRESSURE: 1753600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1753600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1753600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1753600 0 0 0 0 0 0 0 0 0 TIMING: 1753600 CPU: 7009.5, 0.0039427/step Wall: 7009.5, 0.0039427/step, 0.817454 hours remaining, 114.421875 MB of memory in use. ENERGY: 1753600 647.1884 1854.1021 1924.1064 107.3180 3.1200 -1080.8876 0.0000 0.0000 2682.3671 6137.3145 296.2749 3454.9474 6170.4207 296.4632 PRESSURE: 1753800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1753800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1753800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1753800 0 0 0 0 0 0 0 0 0 TIMING: 1753800 CPU: 7010.29, 0.00394721/step Wall: 7010.29, 0.00394721/step, 0.818169 hours remaining, 114.421875 MB of memory in use. ENERGY: 1753800 641.9937 1848.0638 1969.7096 118.2896 2.7000 -1100.0951 0.0000 0.0000 2700.5348 6181.1964 298.2816 3480.6615 6214.3934 298.0071 PRESSURE: 1754000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1754000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1754000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1754000 0 0 0 0 0 0 0 0 0 TIMING: 1754000 CPU: 7011.08, 0.00394721/step Wall: 7011.08, 0.00394721/step, 0.817949 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1754000 643.5598 1875.4347 1940.5214 96.8205 2.2448 -1103.9939 0.0000 0.0000 2691.8582 6146.4455 297.3232 3454.5873 6176.8670 297.6714 PRESSURE: 1754200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1754200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1754200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1754200 0 0 0 0 0 0 0 0 0 TIMING: 1754200 CPU: 7011.87, 0.00394683/step Wall: 7011.87, 0.00394683/step, 0.817652 hours remaining, 114.421875 MB of memory in use. ENERGY: 1754200 653.4587 1813.4620 1944.3650 99.6247 3.1332 -1061.8262 0.0000 0.0000 2680.7721 6132.9895 296.0987 3452.2174 6165.7160 296.9739 PRESSURE: 1754400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1754400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1754400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1754400 0 0 0 0 0 0 0 0 0 TIMING: 1754400 CPU: 7012.66, 0.00394788/step Wall: 7012.66, 0.00394788/step, 0.81765 hours remaining, 114.421875 MB of memory in use. ENERGY: 1754400 657.9701 1829.6042 1951.7701 110.7000 2.9337 -1085.8677 0.0000 0.0000 2701.9408 6169.0513 298.4369 3467.1105 6200.3821 297.8264 PRESSURE: 1754600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1754600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1754600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1754600 0 0 0 0 0 0 0 0 0 TIMING: 1754600 CPU: 7013.45, 0.00394449/step Wall: 7013.45, 0.00394449/step, 0.816729 hours remaining, 114.421875 MB of memory in use. ENERGY: 1754600 648.4973 1885.4075 1944.0416 105.7754 2.7971 -1096.8591 0.0000 0.0000 2746.9574 6236.6173 303.4091 3489.6599 6267.9454 300.5470 PRESSURE: 1754800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1754800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1754800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1754800 0 0 0 0 0 0 0 0 0 TIMING: 1754800 CPU: 7014.24, 0.0039458/step Wall: 7014.24, 0.0039458/step, 0.816781 hours remaining, 114.421875 MB of memory in use. ENERGY: 1754800 657.6837 1859.8237 1951.0776 114.2933 2.0923 -1060.4236 0.0000 0.0000 2679.5060 6204.0529 295.9589 3524.5469 6236.4862 300.3814 PRESSURE: 1755000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1755000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1755000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1755000 0 0 0 0 0 0 0 0 0 TIMING: 1755000 CPU: 7015.03, 0.00394625/step Wall: 7015.03, 0.00394625/step, 0.816654 hours remaining, 114.421875 MB of memory in use. ENERGY: 1755000 671.3602 1877.0808 1931.0632 114.8753 1.7192 -1074.5171 0.0000 0.0000 2699.5042 6221.0858 298.1678 3521.5817 6254.1287 299.8355 PRESSURE: 1755200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1755200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1755200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1755200 0 0 0 0 0 0 0 0 0 TIMING: 1755200 CPU: 7015.82, 0.00394667/step Wall: 7015.82, 0.00394667/step, 0.816523 hours remaining, 114.421875 MB of memory in use. ENERGY: 1755200 640.8719 1881.4032 1944.7192 109.0897 1.7296 -1100.2651 0.0000 0.0000 2757.2873 6234.8357 304.5501 3477.5484 6271.0660 301.9884 PRESSURE: 1755400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1755400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1755400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1755400 0 0 0 0 0 0 0 0 0 TIMING: 1755400 CPU: 7016.61, 0.00394614/step Wall: 7016.61, 0.00394614/step, 0.816193 hours remaining, 114.421875 MB of memory in use. ENERGY: 1755400 638.4728 1817.1281 1959.5108 101.5413 1.5358 -1076.9759 0.0000 0.0000 2801.2551 6242.4679 309.4064 3441.2128 6276.3705 301.5075 PRESSURE: 1755600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1755600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1755600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1755600 0 0 0 0 0 0 0 0 0 TIMING: 1755600 CPU: 7017.4, 0.00394488/step Wall: 7017.4, 0.00394488/step, 0.815714 hours remaining, 114.421875 MB of memory in use. ENERGY: 1755600 680.6356 1887.2305 1977.6621 110.1847 1.2178 -1101.1790 0.0000 0.0000 2702.1047 6257.8565 298.4550 3555.7518 6293.4680 302.8856 PRESSURE: 1755800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1755800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1755800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1755800 0 0 0 0 0 0 0 0 0 TIMING: 1755800 CPU: 7018.19, 0.00394669/step Wall: 7018.19, 0.00394669/step, 0.815869 hours remaining, 114.421875 MB of memory in use. ENERGY: 1755800 634.1826 1864.1308 1945.2917 114.9747 1.7275 -1079.4896 0.0000 0.0000 2779.7174 6260.5350 307.0275 3480.8176 6295.1297 303.6373 PRESSURE: 1756000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1756000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1756000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1756000 0 0 0 0 0 0 0 0 0 TIMING: 1756000 CPU: 7018.98, 0.00395302/step Wall: 7018.98, 0.00395302/step, 0.816957 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1756000 639.4188 1839.8267 1947.0485 102.2520 2.6133 -1061.7037 0.0000 0.0000 2736.5081 6205.9636 302.2549 3469.4555 6240.9565 302.2483 PRESSURE: 1756200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1756200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1756200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1756200 0 0 0 0 0 0 0 0 0 TIMING: 1756200 CPU: 7019.77, 0.00395275/step Wall: 7019.77, 0.00395275/step, 0.816682 hours remaining, 114.421875 MB of memory in use. ENERGY: 1756200 685.5209 1824.4042 1940.8393 111.7186 2.7438 -1077.8165 0.0000 0.0000 2722.5821 6209.9925 300.7168 3487.4103 6242.3621 300.4315 LDB: ============= START OF LOAD BALANCING ============== 7022.73 LDB: ============== END OF LOAD BALANCING =============== 7022.73 LDB: =============== DONE WITH MIGRATION ================ 7022.73 LDB: ============= START OF LOAD BALANCING ============== 7023.12 LDB: ============== END OF LOAD BALANCING =============== 7023.12 LDB: =============== DONE WITH MIGRATION ================ 7023.12 PRESSURE: 1756400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1756400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1756400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1756400 0 0 0 0 0 0 0 0 0 TIMING: 1756400 CPU: 7020.56, 0.00395086/step Wall: 7020.56, 0.00395086/step, 0.816072 hours remaining, 114.421875 MB of memory in use. ENERGY: 1756400 675.2465 1887.4498 1950.3797 114.0713 2.6835 -1092.0105 0.0000 0.0000 2674.3555 6212.1758 295.3900 3537.8203 6245.3256 300.4653 PRESSURE: 1756600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1756600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1756600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1756600 0 0 0 0 0 0 0 0 0 TIMING: 1756600 CPU: 7021.35, 0.00394857/step Wall: 7021.35, 0.00394857/step, 0.81538 hours remaining, 114.421875 MB of memory in use. ENERGY: 1756600 675.0181 1834.6640 1950.9820 111.7775 2.8181 -1073.5670 0.0000 0.0000 2710.5511 6212.2438 299.3879 3501.6927 6247.9797 300.8654 PRESSURE: 1756800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1756800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1756800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1756800 0 0 0 0 0 0 0 0 0 TIMING: 1756800 CPU: 7022.14, 0.00394783/step Wall: 7022.14, 0.00394783/step, 0.815007 hours remaining, 114.421875 MB of memory in use. ENERGY: 1756800 656.8322 1830.1530 1932.1281 104.5869 0.9272 -1038.5068 0.0000 0.0000 2740.2214 6226.3420 302.6651 3486.1206 6263.1829 300.5752 PRESSURE: 1757000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1757000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1757000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1757000 0 0 0 0 0 0 0 0 0 TIMING: 1757000 CPU: 7022.93, 0.00394753/step Wall: 7022.93, 0.00394753/step, 0.814726 hours remaining, 114.421875 MB of memory in use. ENERGY: 1757000 610.3758 1853.1778 1927.3667 101.2272 2.3195 -1095.9155 0.0000 0.0000 2710.0106 6108.5620 299.3282 3398.5515 6142.5263 299.6247 PRESSURE: 1757200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1757200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1757200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1757200 0 0 0 0 0 0 0 0 0 TIMING: 1757200 CPU: 7023.71, 0.00394696/step Wall: 7023.71, 0.00394696/step, 0.81439 hours remaining, 114.421875 MB of memory in use. ENERGY: 1757200 611.5069 1793.3422 1942.0584 105.6417 2.5579 -1102.0754 0.0000 0.0000 2688.9823 6042.0139 297.0056 3353.0316 6077.8026 294.2302 PRESSURE: 1757400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1757400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1757400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1757400 0 0 0 0 0 0 0 0 0 TIMING: 1757400 CPU: 7024.5, 0.00394127/step Wall: 7024.5, 0.00394127/step, 0.812997 hours remaining, 114.421875 MB of memory in use. ENERGY: 1757400 646.9882 1814.4155 1949.5433 122.7514 2.5328 -1085.7343 0.0000 0.0000 2606.2694 6056.7663 287.8697 3450.4969 6088.6710 292.0025 PRESSURE: 1757600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1757600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1757600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1757600 0 0 0 0 0 0 0 0 0 TIMING: 1757600 CPU: 7025.29, 0.00395008/step Wall: 7025.29, 0.00395008/step, 0.814594 hours remaining, 114.421875 MB of memory in use. ENERGY: 1757600 655.2069 1806.9814 1942.0678 114.0294 2.7505 -1089.1872 0.0000 0.0000 2630.8203 6062.6691 290.5814 3431.8489 6095.1875 294.5142 PRESSURE: 1757800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1757800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1757800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1757800 0 0 0 0 0 0 0 0 0 TIMING: 1757800 CPU: 7026.08, 0.00394925/step Wall: 7026.08, 0.00394925/step, 0.814205 hours remaining, 114.421875 MB of memory in use. ENERGY: 1757800 655.0069 1816.8883 1948.5770 110.5853 2.0835 -1101.3916 0.0000 0.0000 2655.9114 6087.6607 293.3528 3431.7494 6121.4969 293.6888 PRESSURE: 1758000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1758000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1758000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1758000 0 0 0 0 0 0 0 0 0 TIMING: 1758000 CPU: 7026.87, 0.00394796/step Wall: 7026.87, 0.00394796/step, 0.813717 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1758000 669.1785 1827.5280 1893.2843 125.2629 3.3347 -1112.2011 0.0000 0.0000 2723.7464 6130.1336 300.8454 3406.3872 6163.5552 296.5515 PRESSURE: 1758200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1758200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1758200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1758200 0 0 0 0 0 0 0 0 0 TIMING: 1758200 CPU: 7027.66, 0.0039501/step Wall: 7027.66, 0.0039501/step, 0.813941 hours remaining, 114.421875 MB of memory in use. ENERGY: 1758200 644.3336 1838.6118 1942.3831 102.8141 3.1069 -1094.0724 0.0000 0.0000 2705.2396 6142.4167 298.8013 3437.1770 6176.4770 297.7527 PRESSURE: 1758400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1758400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1758400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1758400 0 0 0 0 0 0 0 0 0 TIMING: 1758400 CPU: 7028.45, 0.00394451/step Wall: 7028.45, 0.00394451/step, 0.812569 hours remaining, 114.421875 MB of memory in use. ENERGY: 1758400 656.1727 1798.8951 1968.6420 108.5927 3.0574 -1091.4035 0.0000 0.0000 2707.5380 6151.4944 299.0551 3443.9564 6182.8382 298.9633 PRESSURE: 1758600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1758600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1758600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1758600 0 0 0 0 0 0 0 0 0 TIMING: 1758600 CPU: 7029.24, 0.00394997/step Wall: 7029.24, 0.00394996/step, 0.813473 hours remaining, 114.421875 MB of memory in use. ENERGY: 1758600 667.7726 1761.4429 1968.5866 99.2499 3.9254 -1068.4487 0.0000 0.0000 2681.3992 6113.9279 296.1680 3432.5286 6148.5634 294.4672 PRESSURE: 1758800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1758800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1758800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1758800 0 0 0 0 0 0 0 0 0 TIMING: 1758800 CPU: 7030.03, 0.00394821/step Wall: 7030.03, 0.00394822/step, 0.812894 hours remaining, 114.421875 MB of memory in use. ENERGY: 1758800 626.1565 1799.9670 1929.9213 112.2181 4.3873 -1086.9682 0.0000 0.0000 2702.4200 6088.1021 298.4898 3385.6821 6122.3203 294.5293 PRESSURE: 1759000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1759000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1759000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1759000 0 0 0 0 0 0 0 0 0 TIMING: 1759000 CPU: 7030.82, 0.00394888/step Wall: 7030.82, 0.00394888/step, 0.812811 hours remaining, 114.421875 MB of memory in use. ENERGY: 1759000 626.1614 1791.7679 1923.1599 108.0229 1.9279 -1054.4538 0.0000 0.0000 2681.4983 6078.0844 296.1790 3396.5861 6109.7023 294.7205 PRESSURE: 1759200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1759200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1759200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1759200 0 0 0 0 0 0 0 0 0 TIMING: 1759200 CPU: 7031.61, 0.00394989/step Wall: 7031.61, 0.00394989/step, 0.812801 hours remaining, 114.421875 MB of memory in use. ENERGY: 1759200 644.9454 1831.1328 1933.1584 102.1819 2.0185 -1080.6473 0.0000 0.0000 2632.4928 6065.2826 290.7662 3432.7898 6095.2801 292.2701 PRESSURE: 1759400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1759400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1759400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1759400 0 0 0 0 0 0 0 0 0 TIMING: 1759400 CPU: 7032.4, 0.00394509/step Wall: 7032.4, 0.00394509/step, 0.811593 hours remaining, 114.421875 MB of memory in use. ENERGY: 1759400 618.6540 1783.9282 1933.6202 99.1459 2.0503 -1028.5526 0.0000 0.0000 2714.0247 6122.8708 299.7716 3408.8460 6154.0698 294.6017 PRESSURE: 1759600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1759600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1759600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1759600 0 0 0 0 0 0 0 0 0 TIMING: 1759600 CPU: 7033.19, 0.00395054/step Wall: 7033.19, 0.00395054/step, 0.812493 hours remaining, 114.421875 MB of memory in use. ENERGY: 1759600 657.2570 1804.6843 1916.9999 120.7879 3.2048 -1051.8808 0.0000 0.0000 2696.6163 6147.6695 297.8488 3451.0531 6179.8833 296.2823 PRESSURE: 1759800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1759800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1759800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1759800 0 0 0 0 0 0 0 0 0 TIMING: 1759800 CPU: 7033.98, 0.00395121/step Wall: 7033.98, 0.00395121/step, 0.812412 hours remaining, 114.421875 MB of memory in use. ENERGY: 1759800 649.3241 1817.2453 1968.2052 102.3687 1.7068 -1073.7691 0.0000 0.0000 2710.6772 6175.7584 299.4018 3465.0811 6208.1077 298.4390 PRESSURE: 1760000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1760000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1760000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1760000 0 0 0 0 0 0 0 0 0 TIMING: 1760000 CPU: 7034.77, 0.00395182/step Wall: 7034.77, 0.00395182/step, 0.812318 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1760000 635.3627 1813.7487 1964.7372 101.6738 1.2174 -1062.0023 0.0000 0.0000 2720.5158 6175.2534 300.4885 3454.7376 6208.3248 298.7878 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1760000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1760000 WRITING COORDINATES TO RESTART FILE AT STEP 1760000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1760000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1760200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1760200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1760200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1760200 0 0 0 0 0 0 0 0 0 TIMING: 1760200 CPU: 7035.6, 0.00414253/step Wall: 7035.6, 0.00414253/step, 0.851291 hours remaining, 114.421875 MB of memory in use. ENERGY: 1760200 640.8093 1769.0927 1977.2665 112.9437 0.2762 -1028.6026 0.0000 0.0000 2752.5749 6224.3608 304.0296 3471.7859 6255.6665 299.2802 LDB: ============= START OF LOAD BALANCING ============== 7038.56 LDB: ============== END OF LOAD BALANCING =============== 7039.28 LDB: =============== DONE WITH MIGRATION ================ 7039.28 LDB: ============= START OF LOAD BALANCING ============== 7039.68 LDB: ============== END OF LOAD BALANCING =============== 7039.68 LDB: =============== DONE WITH MIGRATION ================ 7039.68 PRESSURE: 1760400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1760400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1760400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1760400 0 0 0 0 0 0 0 0 0 TIMING: 1760400 CPU: 7037.12, 0.00759033/step Wall: 7037.12, 0.00759033/step, 1.55939 hours remaining, 114.421875 MB of memory in use. ENERGY: 1760400 638.6593 1808.9081 1959.7809 94.9919 3.1346 -1036.4607 0.0000 0.0000 2696.2763 6165.2904 297.8112 3469.0141 6197.8257 299.1746 PRESSURE: 1760600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1760600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1760600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1760600 0 0 0 0 0 0 0 0 0 TIMING: 1760600 CPU: 7037.91, 0.00395022/step Wall: 7037.91, 0.00395022/step, 0.811331 hours remaining, 114.421875 MB of memory in use. ENERGY: 1760600 638.0704 1868.3764 1963.0573 111.3717 3.7510 -1085.2952 0.0000 0.0000 2721.4624 6220.7939 300.5931 3499.3315 6254.5981 298.6963 PRESSURE: 1760800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1760800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1760800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1760800 0 0 0 0 0 0 0 0 0 TIMING: 1760800 CPU: 7038.7, 0.00395118/step Wall: 7038.7, 0.00395118/step, 0.81131 hours remaining, 114.421875 MB of memory in use. ENERGY: 1760800 652.5029 1842.0256 1984.2458 106.9289 1.5369 -1103.7663 0.0000 0.0000 2762.1854 6245.6591 305.0911 3483.4738 6279.9735 301.2044 PRESSURE: 1761000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1761000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1761000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1761000 0 0 0 0 0 0 0 0 0 TIMING: 1761000 CPU: 7039.49, 0.00394586/step Wall: 7039.49, 0.00394586/step, 0.809998 hours remaining, 114.421875 MB of memory in use. ENERGY: 1761000 657.3261 1846.0253 1932.9262 108.5718 0.8433 -1083.7834 0.0000 0.0000 2778.2685 6240.1777 306.8675 3461.9092 6273.5390 302.1869 PRESSURE: 1761200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1761200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1761200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1761200 0 0 0 0 0 0 0 0 0 TIMING: 1761200 CPU: 7040.28, 0.00395234/step Wall: 7040.28, 0.00395234/step, 0.811108 hours remaining, 114.421875 MB of memory in use. ENERGY: 1761200 649.7511 1795.3021 1989.8036 111.5888 0.2835 -1065.1376 0.0000 0.0000 2723.5769 6205.1684 300.8267 3481.5915 6240.0765 301.1752 PRESSURE: 1761400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1761400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1761400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1761400 0 0 0 0 0 0 0 0 0 TIMING: 1761400 CPU: 7041.07, 0.00395241/step Wall: 7041.07, 0.00395241/step, 0.810903 hours remaining, 114.421875 MB of memory in use. ENERGY: 1761400 701.7945 1831.3725 1940.2722 103.2443 0.5075 -1056.3799 0.0000 0.0000 2739.7835 6260.5947 302.6167 3520.8112 6291.8391 302.3236 PRESSURE: 1761600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1761600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1761600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1761600 0 0 0 0 0 0 0 0 0 TIMING: 1761600 CPU: 7041.86, 0.00394938/step Wall: 7041.86, 0.00394938/step, 0.810063 hours remaining, 114.421875 MB of memory in use. ENERGY: 1761600 645.0397 1845.4213 1940.0272 104.3815 1.4855 -1073.9906 0.0000 0.0000 2744.2088 6206.5734 303.1055 3462.3646 6238.9053 301.5778 PRESSURE: 1761800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1761800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1761800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1761800 0 0 0 0 0 0 0 0 0 TIMING: 1761800 CPU: 7042.65, 0.00395003/step Wall: 7042.65, 0.00395003/step, 0.809976 hours remaining, 114.421875 MB of memory in use. ENERGY: 1761800 623.1526 1861.7292 1973.1835 101.9085 1.9665 -1039.8154 0.0000 0.0000 2665.4047 6187.5296 294.4014 3522.1249 6219.1121 299.2792 PRESSURE: 1762000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1762000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1762000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1762000 0 0 0 0 0 0 0 0 0 TIMING: 1762000 CPU: 7043.44, 0.00394596/step Wall: 7043.44, 0.00394596/step, 0.808921 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1762000 685.0025 1805.7380 1965.0138 97.1750 3.1240 -1058.6341 0.0000 0.0000 2679.2155 6176.6347 295.9268 3497.4192 6208.1966 297.5730 PRESSURE: 1762200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1762200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1762200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1762200 0 0 0 0 0 0 0 0 0 TIMING: 1762200 CPU: 7044.23, 0.00395258/step Wall: 7044.23, 0.00395258/step, 0.810059 hours remaining, 114.421875 MB of memory in use. ENERGY: 1762200 658.9222 1830.3633 1959.1647 119.2207 1.0116 -1074.2386 0.0000 0.0000 2655.1810 6149.6249 293.2721 3494.4440 6183.0665 296.6959 PRESSURE: 1762400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1762400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1762400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1762400 0 0 0 0 0 0 0 0 0 TIMING: 1762400 CPU: 7045.02, 0.00395136/step Wall: 7045.02, 0.00395136/step, 0.80959 hours remaining, 114.421875 MB of memory in use. ENERGY: 1762400 636.3346 1817.0982 1962.1779 109.4196 0.3934 -1074.8058 0.0000 0.0000 2708.3977 6159.0155 299.1501 3450.6178 6193.9675 297.4887 PRESSURE: 1762600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1762600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1762600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1762600 0 0 0 0 0 0 0 0 0 TIMING: 1762600 CPU: 7045.81, 0.00395181/step Wall: 7045.81, 0.00395181/step, 0.809462 hours remaining, 114.421875 MB of memory in use. ENERGY: 1762600 675.7708 1842.2820 1926.6095 97.6733 0.0521 -1069.1663 0.0000 0.0000 2719.9019 6193.1232 300.4207 3473.2213 6227.2417 298.1685 PRESSURE: 1762800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1762800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1762800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1762800 0 0 0 0 0 0 0 0 0 TIMING: 1762800 CPU: 7046.6, 0.00394657/step Wall: 7046.6, 0.00394657/step, 0.808171 hours remaining, 114.421875 MB of memory in use. ENERGY: 1762800 663.7150 1862.6548 1969.2850 105.4474 2.0010 -1083.1919 0.0000 0.0000 2706.9812 6226.8923 298.9936 3519.9111 6257.4379 299.7487 PRESSURE: 1763000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1763000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1763000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1763000 0 0 0 0 0 0 0 0 0 TIMING: 1763000 CPU: 7047.39, 0.00395157/step Wall: 7047.39, 0.00395157/step, 0.808975 hours remaining, 114.421875 MB of memory in use. ENERGY: 1763000 639.7657 1910.8034 1968.7180 102.0186 1.3176 -1106.8315 0.0000 0.0000 2706.2385 6222.0305 298.9116 3515.7920 6254.8686 301.5523 PRESSURE: 1763200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1763200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1763200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1763200 0 0 0 0 0 0 0 0 0 TIMING: 1763200 CPU: 7048.18, 0.00395285/step Wall: 7048.18, 0.00395285/step, 0.809016 hours remaining, 114.421875 MB of memory in use. ENERGY: 1763200 671.3393 1804.8360 1930.4454 101.9655 1.7174 -1094.2372 0.0000 0.0000 2749.7563 6165.8228 303.7182 3416.0665 6199.1148 300.4333 PRESSURE: 1763400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1763400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1763400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1763400 0 0 0 0 0 0 0 0 0 TIMING: 1763400 CPU: 7048.97, 0.00395177/step Wall: 7048.97, 0.00395177/step, 0.808577 hours remaining, 114.421875 MB of memory in use. ENERGY: 1763400 673.5789 1829.5868 1931.9667 88.1566 1.5194 -1080.8018 0.0000 0.0000 2674.2397 6118.2463 295.3772 3444.0066 6150.4228 296.3051 PRESSURE: 1763600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1763600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1763600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1763600 0 0 0 0 0 0 0 0 0 TIMING: 1763600 CPU: 7049.76, 0.00395051/step Wall: 7049.76, 0.00395051/step, 0.8081 hours remaining, 114.421875 MB of memory in use. ENERGY: 1763600 644.2312 1829.5492 1965.7730 100.2301 1.2678 -1088.0544 0.0000 0.0000 2677.5054 6130.5023 295.7379 3452.9969 6160.8090 295.9812 PRESSURE: 1763800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1763800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1763800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1763800 0 0 0 0 0 0 0 0 0 TIMING: 1763800 CPU: 7050.55, 0.00394428/step Wall: 7050.55, 0.00394428/step, 0.806604 hours remaining, 114.421875 MB of memory in use. ENERGY: 1763800 628.1031 1861.7353 1953.9282 119.0398 1.9917 -1095.0227 0.0000 0.0000 2680.7896 6150.5651 296.1007 3469.7755 6183.3241 297.7202 PRESSURE: 1764000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1764000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1764000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1764000 0 0 0 0 0 0 0 0 0 TIMING: 1764000 CPU: 7051.34, 0.00395293/step Wall: 7051.34, 0.00395293/step, 0.808154 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1764000 650.8735 1892.7491 1914.1069 121.6305 2.9713 -1091.7769 0.0000 0.0000 2680.1477 6170.7020 296.0298 3490.5543 6201.9516 298.5256 PRESSURE: 1764200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1764200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1764200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1764200 0 0 0 0 0 0 0 0 0 TIMING: 1764200 CPU: 7052.13, 0.0039538/step Wall: 7052.13, 0.0039538/step, 0.808113 hours remaining, 114.421875 MB of memory in use. ENERGY: 1764200 657.8454 1840.8775 1964.2469 117.4544 2.2243 -1053.4476 0.0000 0.0000 2663.8620 6193.0629 294.2310 3529.2009 6228.4430 299.2647 LDB: ============= START OF LOAD BALANCING ============== 7055.09 LDB: ============== END OF LOAD BALANCING =============== 7055.09 LDB: =============== DONE WITH MIGRATION ================ 7055.09 LDB: ============= START OF LOAD BALANCING ============== 7055.48 LDB: ============== END OF LOAD BALANCING =============== 7055.48 LDB: =============== DONE WITH MIGRATION ================ 7055.48 PRESSURE: 1764400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1764400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1764400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1764400 0 0 0 0 0 0 0 0 0 TIMING: 1764400 CPU: 7052.92, 0.0039565/step Wall: 7052.92, 0.0039565/step, 0.808445 hours remaining, 114.421875 MB of memory in use. ENERGY: 1764400 640.6274 1825.3158 1934.9497 114.8729 1.6517 -1091.0196 0.0000 0.0000 2734.4204 6160.8183 302.0243 3426.3979 6196.9635 297.5074 PRESSURE: 1764600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1764600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1764600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1764600 0 0 0 0 0 0 0 0 0 TIMING: 1764600 CPU: 7053.71, 0.0039536/step Wall: 7053.71, 0.0039536/step, 0.807633 hours remaining, 114.421875 MB of memory in use. ENERGY: 1764600 656.2562 1749.3365 1935.1297 110.0487 1.2472 -1028.9414 0.0000 0.0000 2757.4547 6180.5316 304.5686 3423.0769 6215.6547 297.0595 PRESSURE: 1764800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1764800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1764800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1764800 0 0 0 0 0 0 0 0 0 TIMING: 1764800 CPU: 7054.5, 0.00394587/step Wall: 7054.5, 0.00394587/step, 0.805835 hours remaining, 114.421875 MB of memory in use. ENERGY: 1764800 612.9622 1878.2077 1978.4990 108.0130 2.4159 -1066.7105 0.0000 0.0000 2738.5666 6251.9539 302.4823 3513.3873 6281.1074 299.8202 PRESSURE: 1765000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1765000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1765000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1765000 0 0 0 0 0 0 0 0 0 TIMING: 1765000 CPU: 7055.29, 0.00395249/step Wall: 7055.29, 0.00395249/step, 0.806966 hours remaining, 114.421875 MB of memory in use. ENERGY: 1765000 669.9798 1789.1273 2028.9720 111.5746 2.2744 -1066.4769 0.0000 0.0000 2735.8644 6271.3157 302.1838 3535.4513 6306.5681 302.2578 PRESSURE: 1765200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1765200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1765200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1765200 0 0 0 0 0 0 0 0 0 TIMING: 1765200 CPU: 7056.08, 0.00395244/step Wall: 7056.08, 0.00395244/step, 0.806736 hours remaining, 114.421875 MB of memory in use. ENERGY: 1765200 646.0447 1820.0240 1964.9101 112.2683 2.0401 -1063.8279 0.0000 0.0000 2754.1125 6235.5719 304.1994 3481.4594 6272.2939 299.4156 PRESSURE: 1765400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1765400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1765400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1765400 0 0 0 0 0 0 0 0 0 TIMING: 1765400 CPU: 7056.87, 0.00395348/step Wall: 7056.87, 0.00395348/step, 0.806729 hours remaining, 114.421875 MB of memory in use. ENERGY: 1765400 654.2861 1875.8530 1973.7132 100.9414 1.6305 -1056.0517 0.0000 0.0000 2712.4360 6262.8085 299.5961 3550.3724 6293.1941 300.9163 PRESSURE: 1765600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1765600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1765600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1765600 0 0 0 0 0 0 0 0 0 TIMING: 1765600 CPU: 7057.66, 0.00395327/step Wall: 7057.66, 0.00395327/step, 0.806467 hours remaining, 114.421875 MB of memory in use. ENERGY: 1765600 682.9343 1863.8524 1971.0448 99.3976 1.3972 -1056.4108 0.0000 0.0000 2709.9000 6272.1153 299.3160 3562.2153 6306.4186 302.6180 PRESSURE: 1765800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1765800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1765800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1765800 0 0 0 0 0 0 0 0 0 TIMING: 1765800 CPU: 7058.45, 0.00394682/step Wall: 7058.45, 0.00394682/step, 0.804932 hours remaining, 114.421875 MB of memory in use. ENERGY: 1765800 647.8479 1871.0200 1959.0253 118.9868 0.9253 -1076.9461 0.0000 0.0000 2713.2500 6234.1091 299.6860 3520.8591 6264.2005 302.2051 PRESSURE: 1766000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1766000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1766000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1766000 0 0 0 0 0 0 0 0 0 TIMING: 1766000 CPU: 7059.25, 0.00396723/step Wall: 7059.25, 0.00396723/step, 0.808874 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1766000 656.1748 1858.9566 1962.8755 109.4240 2.0402 -1083.9132 0.0000 0.0000 2688.6184 6194.1764 296.9654 3505.5579 6225.1052 299.0662 PRESSURE: 1766200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1766200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1766200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1766200 0 0 0 0 0 0 0 0 0 TIMING: 1766200 CPU: 7060.04, 0.0039502/step Wall: 7060.04, 0.0039502/step, 0.805182 hours remaining, 114.421875 MB of memory in use. ENERGY: 1766200 648.1170 1874.9409 1974.2827 113.6023 0.4016 -1095.5756 0.0000 0.0000 2665.3396 6181.1085 294.3942 3515.7689 6213.4414 300.2851 PRESSURE: 1766400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1766400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1766400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1766400 0 0 0 0 0 0 0 0 0 TIMING: 1766400 CPU: 7060.83, 0.00395072/step Wall: 7060.83, 0.00395072/step, 0.805068 hours remaining, 114.421875 MB of memory in use. ENERGY: 1766400 628.8809 1887.1542 1954.8650 115.0303 0.8131 -1106.1738 0.0000 0.0000 2740.7519 6221.3216 302.7237 3480.5697 6255.7317 299.4079 PRESSURE: 1766600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1766600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1766600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1766600 0 0 0 0 0 0 0 0 0 TIMING: 1766600 CPU: 7061.61, 0.00394618/step Wall: 7061.61, 0.00394618/step, 0.803925 hours remaining, 114.421875 MB of memory in use. ENERGY: 1766600 679.0578 1880.0782 1949.4517 103.4748 1.7698 -1090.4773 0.0000 0.0000 2728.0424 6251.3974 301.3199 3523.3550 6282.1303 300.8918 PRESSURE: 1766800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1766800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1766800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1766800 0 0 0 0 0 0 0 0 0 TIMING: 1766800 CPU: 7062.4, 0.00394928/step Wall: 7062.4, 0.00394928/step, 0.804337 hours remaining, 114.421875 MB of memory in use. ENERGY: 1766800 648.3163 1828.8403 1951.3421 111.3395 1.7081 -1091.3296 0.0000 0.0000 2782.0133 6232.2300 307.2811 3450.2167 6269.3121 302.2602 PRESSURE: 1767000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1767000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1767000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1767000 0 0 0 0 0 0 0 0 0 TIMING: 1767000 CPU: 7063.19, 0.00395177/step Wall: 7063.19, 0.00395177/step, 0.804625 hours remaining, 114.421875 MB of memory in use. ENERGY: 1767000 705.1653 1814.2029 1924.6797 116.9253 0.8840 -1099.9423 0.0000 0.0000 2744.7517 6206.6667 303.1655 3461.9150 6241.7910 299.7621 PRESSURE: 1767200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1767200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1767200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1767200 0 0 0 0 0 0 0 0 0 TIMING: 1767200 CPU: 7064, 0.00404248/step Wall: 7064, 0.00404248/step, 0.822868 hours remaining, 114.421875 MB of memory in use. ENERGY: 1767200 688.1081 1842.1640 1965.2116 100.2358 1.0054 -1119.7835 0.0000 0.0000 2687.8204 6164.7618 296.8773 3476.9414 6195.7376 299.0327 PRESSURE: 1767400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1767400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1767400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1767400 0 0 0 0 0 0 0 0 0 TIMING: 1767400 CPU: 7064.79, 0.00395612/step Wall: 7064.79, 0.00395612/step, 0.80507 hours remaining, 114.421875 MB of memory in use. ENERGY: 1767400 669.9889 1813.1735 1969.7472 111.6508 1.6314 -1070.2511 0.0000 0.0000 2666.1869 6162.1275 294.4878 3495.9407 6191.5532 297.8493 PRESSURE: 1767600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1767600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1767600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1767600 0 0 0 0 0 0 0 0 0 TIMING: 1767600 CPU: 7065.58, 0.00394482/step Wall: 7065.58, 0.00394482/step, 0.802552 hours remaining, 114.421875 MB of memory in use. ENERGY: 1767600 667.7118 1773.8641 1968.8887 108.5374 1.5911 -1087.1117 0.0000 0.0000 2691.7229 6125.2042 297.3083 3433.4814 6157.0307 295.0177 PRESSURE: 1767800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1767800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1767800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1767800 0 0 0 0 0 0 0 0 0 TIMING: 1767800 CPU: 7066.37, 0.00394354/step Wall: 7066.37, 0.00394354/step, 0.802072 hours remaining, 114.421875 MB of memory in use. ENERGY: 1767800 642.1466 1830.1169 2004.8226 123.5048 1.2661 -1114.7678 0.0000 0.0000 2672.0662 6159.1555 295.1372 3487.0892 6192.3840 295.9416 PRESSURE: 1768000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1768000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1768000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1768000 0 0 0 0 0 0 0 0 0 TIMING: 1768000 CPU: 7067.16, 0.00394531/step Wall: 7067.16, 0.00394531/step, 0.802213 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1768000 630.5883 1813.5520 1956.6393 107.9606 2.0080 -1031.3042 0.0000 0.0000 2668.1531 6147.5971 294.7049 3479.4440 6180.3823 295.1179 PRESSURE: 1768200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1768200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1768200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1768200 0 0 0 0 0 0 0 0 0 TIMING: 1768200 CPU: 7067.95, 0.00394471/step Wall: 7067.95, 0.00394471/step, 0.801873 hours remaining, 114.421875 MB of memory in use. ENERGY: 1768200 648.5232 1827.1543 1954.4531 108.6435 0.7046 -1052.4743 0.0000 0.0000 2703.9251 6190.9295 298.6561 3487.0044 6224.5029 296.8512 LDB: ============= START OF LOAD BALANCING ============== 7070.91 LDB: ============== END OF LOAD BALANCING =============== 7070.91 LDB: =============== DONE WITH MIGRATION ================ 7070.91 LDB: ============= START OF LOAD BALANCING ============== 7071.3 LDB: ============== END OF LOAD BALANCING =============== 7071.3 LDB: =============== DONE WITH MIGRATION ================ 7071.3 PRESSURE: 1768400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1768400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1768400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1768400 0 0 0 0 0 0 0 0 0 TIMING: 1768400 CPU: 7068.74, 0.00395254/step Wall: 7068.74, 0.00395254/step, 0.803243 hours remaining, 114.421875 MB of memory in use. ENERGY: 1768400 646.5637 1859.1296 1941.0453 101.1091 1.3929 -1060.3354 0.0000 0.0000 2672.4310 6161.3362 295.1774 3488.9052 6192.2625 296.4990 PRESSURE: 1768600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1768600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1768600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1768600 0 0 0 0 0 0 0 0 0 TIMING: 1768600 CPU: 7069.53, 0.00394598/step Wall: 7069.53, 0.00394598/step, 0.801692 hours remaining, 114.421875 MB of memory in use. ENERGY: 1768600 641.4458 1864.8561 1951.1621 103.9112 1.0964 -1058.0213 0.0000 0.0000 2697.5345 6201.9849 297.9502 3504.4504 6237.1105 299.0873 PRESSURE: 1768800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1768800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1768800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1768800 0 0 0 0 0 0 0 0 0 TIMING: 1768800 CPU: 7070.32, 0.00394611/step Wall: 7070.32, 0.00394611/step, 0.8015 hours remaining, 114.421875 MB of memory in use. ENERGY: 1768800 632.4525 1849.2326 1966.8792 113.9621 0.3783 -1065.7176 0.0000 0.0000 2681.1622 6178.3493 296.1418 3497.1871 6210.6730 296.8537 PRESSURE: 1769000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1769000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1769000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1769000 0 0 0 0 0 0 0 0 0 TIMING: 1769000 CPU: 7071.11, 0.0039468/step Wall: 7071.11, 0.0039468/step, 0.80142 hours remaining, 114.421875 MB of memory in use. ENERGY: 1769000 650.7658 1852.7289 1942.2366 103.0362 0.7786 -1085.4750 0.0000 0.0000 2692.3385 6156.4094 297.3763 3464.0710 6192.6495 298.1701 PRESSURE: 1769200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1769200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1769200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1769200 0 0 0 0 0 0 0 0 0 TIMING: 1769200 CPU: 7071.9, 0.00394347/step Wall: 7071.9, 0.00394347/step, 0.800524 hours remaining, 114.421875 MB of memory in use. ENERGY: 1769200 639.8649 1808.4612 1956.0766 92.5303 1.6284 -1060.8239 0.0000 0.0000 2661.7320 6099.4694 293.9957 3437.7374 6133.1645 295.6617 PRESSURE: 1769400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1769400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1769400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1769400 0 0 0 0 0 0 0 0 0 TIMING: 1769400 CPU: 7072.69, 0.0039461/step Wall: 7072.69, 0.0039461/step, 0.800838 hours remaining, 114.421875 MB of memory in use. ENERGY: 1769400 628.6401 1789.2086 1947.8465 106.9404 -0.4579 -1049.5326 0.0000 0.0000 2694.0489 6116.6940 297.5652 3422.6451 6152.2296 293.2517 PRESSURE: 1769600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1769600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1769600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1769600 0 0 0 0 0 0 0 0 0 TIMING: 1769600 CPU: 7073.48, 0.00394423/step Wall: 7073.48, 0.00394422/step, 0.800239 hours remaining, 114.421875 MB of memory in use. ENERGY: 1769600 624.8333 1813.9608 1959.6046 111.9631 -1.1709 -1084.4857 0.0000 0.0000 2682.9892 6107.6943 296.3436 3424.7051 6141.7885 294.1253 PRESSURE: 1769800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1769800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1769800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1769800 0 0 0 0 0 0 0 0 0 TIMING: 1769800 CPU: 7074.26, 0.00394531/step Wall: 7074.26, 0.00394532/step, 0.800243 hours remaining, 114.421875 MB of memory in use. ENERGY: 1769800 636.6784 1810.2772 1958.7627 108.8955 1.3032 -1080.6487 0.0000 0.0000 2674.6790 6109.9472 295.4257 3435.2682 6141.6033 295.3841 PRESSURE: 1770000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1770000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1770000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1770000 0 0 0 0 0 0 0 0 0 TIMING: 1770000 CPU: 7075.05, 0.00394789/step Wall: 7075.05, 0.00394789/step, 0.800545 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1770000 688.8423 1830.4441 1944.4394 103.8521 1.1783 -1075.8842 0.0000 0.0000 2694.3291 6187.2011 297.5962 3492.8720 6218.6138 296.4424 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1770000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1770000 WRITING COORDINATES TO RESTART FILE AT STEP 1770000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1770000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1770200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1770200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1770200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1770200 0 0 0 0 0 0 0 0 0 TIMING: 1770200 CPU: 7075.93, 0.0043728/step Wall: 7075.93, 0.00437279/step, 0.886463 hours remaining, 114.421875 MB of memory in use. ENERGY: 1770200 620.2402 1854.0989 1975.4475 95.3684 0.2812 -1073.0845 0.0000 0.0000 2696.2460 6168.5977 297.8079 3472.3517 6201.3189 297.9383 PRESSURE: 1770400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1770400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1770400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1770400 0 0 0 0 0 0 0 0 0 TIMING: 1770400 CPU: 7076.72, 0.00395921/step Wall: 7076.72, 0.00395922/step, 0.802401 hours remaining, 114.421875 MB of memory in use. ENERGY: 1770400 649.5611 1772.4511 1949.7804 104.6321 1.0594 -1051.5989 0.0000 0.0000 2704.7667 6130.6519 298.7490 3425.8852 6166.8579 296.5758 PRESSURE: 1770600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1770600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1770600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1770600 0 0 0 0 0 0 0 0 0 TIMING: 1770600 CPU: 7077.51, 0.00394832/step Wall: 7077.51, 0.00394832/step, 0.799974 hours remaining, 114.421875 MB of memory in use. ENERGY: 1770600 636.2090 1793.9100 1918.8973 96.6629 2.6677 -1050.7148 0.0000 0.0000 2747.8220 6145.4540 303.5046 3397.6320 6179.8172 296.0124 PRESSURE: 1770800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1770800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1770800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1770800 0 0 0 0 0 0 0 0 0 TIMING: 1770800 CPU: 7078.3, 0.00395007/step Wall: 7078.3, 0.00395007/step, 0.80011 hours remaining, 114.421875 MB of memory in use. ENERGY: 1770800 625.2607 1850.5501 1953.8427 119.2557 0.3216 -1076.3011 0.0000 0.0000 2675.3995 6148.3291 295.5053 3472.9296 6179.2240 297.6524 PRESSURE: 1771000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1771000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1771000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1771000 0 0 0 0 0 0 0 0 0 TIMING: 1771000 CPU: 7079.09, 0.00395155/step Wall: 7079.09, 0.00395155/step, 0.800189 hours remaining, 114.421875 MB of memory in use. ENERGY: 1771000 622.0564 1838.7158 1938.2230 108.5033 2.6314 -1043.7716 0.0000 0.0000 2664.4808 6130.8390 294.2993 3466.3583 6165.0973 294.3144 PRESSURE: 1771200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1771200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1771200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1771200 0 0 0 0 0 0 0 0 0 TIMING: 1771200 CPU: 7079.88, 0.00395064/step Wall: 7079.88, 0.00395064/step, 0.799785 hours remaining, 114.421875 MB of memory in use. ENERGY: 1771200 660.0850 1835.7560 1954.2983 104.1643 0.2880 -1085.2520 0.0000 0.0000 2680.0250 6149.3646 296.0162 3469.3397 6181.7905 296.4360 PRESSURE: 1771400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1771400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1771400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1771400 0 0 0 0 0 0 0 0 0 TIMING: 1771400 CPU: 7080.67, 0.00394626/step Wall: 7080.67, 0.00394626/step, 0.79868 hours remaining, 114.421875 MB of memory in use. ENERGY: 1771400 633.7639 1813.9508 1978.7275 112.0242 1.1813 -1074.4607 0.0000 0.0000 2663.4543 6128.6413 294.1859 3465.1870 6162.2167 295.5795 PRESSURE: 1771600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1771600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1771600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1771600 0 0 0 0 0 0 0 0 0 TIMING: 1771600 CPU: 7081.46, 0.00395267/step Wall: 7081.46, 0.00395267/step, 0.799757 hours remaining, 114.421875 MB of memory in use. ENERGY: 1771600 699.4369 1787.3363 1998.0287 107.7764 0.7454 -1092.2539 0.0000 0.0000 2682.3209 6183.3906 296.2698 3501.0697 6216.4825 297.6827 PRESSURE: 1771800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1771800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1771800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1771800 0 0 0 0 0 0 0 0 0 TIMING: 1771800 CPU: 7082.25, 0.00395128/step Wall: 7082.25, 0.00395128/step, 0.799257 hours remaining, 114.421875 MB of memory in use. ENERGY: 1771800 652.1917 1843.3163 1980.6297 115.3398 1.2649 -1085.3837 0.0000 0.0000 2660.6914 6168.0501 293.8808 3507.3586 6199.0391 297.5302 PRESSURE: 1772000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1772000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1772000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1772000 0 0 0 0 0 0 0 0 0 TIMING: 1772000 CPU: 7083.04, 0.00395205/step Wall: 7083.04, 0.00395205/step, 0.799191 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1772000 676.0678 1844.4282 1971.6774 106.3821 0.0875 -1050.1152 0.0000 0.0000 2676.5706 6225.0983 295.6347 3548.5278 6257.4810 297.3838 PRESSURE: 1772200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1772200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1772200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1772200 0 0 0 0 0 0 0 0 0 TIMING: 1772200 CPU: 7083.83, 0.00395012/step Wall: 7083.83, 0.00395012/step, 0.798584 hours remaining, 114.421875 MB of memory in use. ENERGY: 1772200 641.2155 1841.8150 1974.8802 107.9585 0.1282 -1078.7834 0.0000 0.0000 2720.2684 6207.4824 300.4612 3487.2139 6240.2044 300.5952 LDB: ============= START OF LOAD BALANCING ============== 7086.79 LDB: ============== END OF LOAD BALANCING =============== 7086.79 LDB: =============== DONE WITH MIGRATION ================ 7086.79 LDB: ============= START OF LOAD BALANCING ============== 7087.19 LDB: ============== END OF LOAD BALANCING =============== 7087.19 LDB: =============== DONE WITH MIGRATION ================ 7087.19 PRESSURE: 1772400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1772400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1772400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1772400 0 0 0 0 0 0 0 0 0 TIMING: 1772400 CPU: 7084.62, 0.0039526/step Wall: 7084.62, 0.0039526/step, 0.798864 hours remaining, 114.421875 MB of memory in use. ENERGY: 1772400 650.8878 1813.6838 1954.3561 111.8016 2.2177 -1051.9657 0.0000 0.0000 2723.3102 6204.2915 300.7972 3480.9813 6236.5448 300.0596 PRESSURE: 1772600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1772600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1772600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1772600 0 0 0 0 0 0 0 0 0 TIMING: 1772600 CPU: 7085.41, 0.0039529/step Wall: 7085.41, 0.0039529/step, 0.798706 hours remaining, 114.421875 MB of memory in use. ENERGY: 1772600 634.6938 1795.5919 1946.5835 107.2792 1.9794 -1018.1421 0.0000 0.0000 2723.6353 6191.6211 300.8331 3467.9858 6224.0675 297.4102 PRESSURE: 1772800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1772800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1772800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1772800 0 0 0 0 0 0 0 0 0 TIMING: 1772800 CPU: 7086.2, 0.00395131/step Wall: 7086.2, 0.00395131/step, 0.798165 hours remaining, 114.421875 MB of memory in use. ENERGY: 1772800 633.2943 1816.7355 1977.5585 124.2048 2.2191 -1057.9474 0.0000 0.0000 2690.0788 6186.1436 297.1267 3496.0648 6217.9098 297.2195 PRESSURE: 1773000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1773000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1773000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1773000 0 0 0 0 0 0 0 0 0 TIMING: 1773000 CPU: 7086.99, 0.00395203/step Wall: 7086.99, 0.00395203/step, 0.798091 hours remaining, 114.421875 MB of memory in use. ENERGY: 1773000 635.2841 1820.3126 1971.9854 106.1139 1.1557 -1073.8724 0.0000 0.0000 2732.9898 6193.9691 301.8663 3460.9793 6227.0503 296.3305 PRESSURE: 1773200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1773200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1773200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1773200 0 0 0 0 0 0 0 0 0 TIMING: 1773200 CPU: 7087.78, 0.00395311/step Wall: 7087.78, 0.00395311/step, 0.798088 hours remaining, 114.421875 MB of memory in use. ENERGY: 1773200 629.1810 1840.6921 1968.8122 105.3628 -0.3556 -1073.6092 0.0000 0.0000 2700.8633 6170.9465 298.3179 3470.0833 6205.7039 297.8786 PRESSURE: 1773400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1773400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1773400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1773400 0 0 0 0 0 0 0 0 0 TIMING: 1773400 CPU: 7088.57, 0.00394611/step Wall: 7088.57, 0.00394611/step, 0.796457 hours remaining, 114.421875 MB of memory in use. ENERGY: 1773400 687.0623 1795.8549 1963.1684 92.4717 -0.1491 -1081.8430 0.0000 0.0000 2701.4578 6158.0230 298.3835 3456.5652 6188.9532 296.5716 PRESSURE: 1773600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1773600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1773600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1773600 0 0 0 0 0 0 0 0 0 TIMING: 1773600 CPU: 7089.36, 0.0039522/step Wall: 7089.36, 0.0039522/step, 0.797465 hours remaining, 114.421875 MB of memory in use. ENERGY: 1773600 660.3379 1872.9368 1995.4626 108.5537 1.2233 -1126.1810 0.0000 0.0000 2644.9046 6157.2377 292.1371 3512.3331 6187.8017 298.1574 PRESSURE: 1773800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1773800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1773800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1773800 0 0 0 0 0 0 0 0 0 TIMING: 1773800 CPU: 7090.15, 0.00395235/step Wall: 7090.15, 0.00395235/step, 0.797277 hours remaining, 114.421875 MB of memory in use. ENERGY: 1773800 620.8518 1823.9689 1961.6094 100.0330 0.2618 -1107.3238 0.0000 0.0000 2759.3137 6158.7149 304.7739 3399.4011 6191.9418 297.3884 PRESSURE: 1774000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1774000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1774000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1774000 0 0 0 0 0 0 0 0 0 TIMING: 1774000 CPU: 7090.94, 0.00395213/step Wall: 7090.94, 0.00395213/step, 0.797012 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1774000 621.4077 1824.6547 1952.3592 104.3532 1.2944 -1050.5079 0.0000 0.0000 2686.7369 6140.2982 296.7576 3453.5613 6173.1875 296.1318 PRESSURE: 1774200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1774200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1774200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1774200 0 0 0 0 0 0 0 0 0 TIMING: 1774200 CPU: 7091.73, 0.00395234/step Wall: 7091.73, 0.00395234/step, 0.796836 hours remaining, 114.421875 MB of memory in use. ENERGY: 1774200 612.8054 1907.3320 1953.5287 117.4892 0.8657 -1081.4440 0.0000 0.0000 2652.5048 6163.0819 292.9765 3510.5771 6196.0324 296.9065 PRESSURE: 1774400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1774400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1774400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1774400 0 0 0 0 0 0 0 0 0 TIMING: 1774400 CPU: 7092.52, 0.00394667/step Wall: 7092.52, 0.00394667/step, 0.795472 hours remaining, 114.421875 MB of memory in use. ENERGY: 1774400 659.3106 1778.7163 1985.6985 99.7892 0.1753 -1103.7956 0.0000 0.0000 2699.4375 6119.3319 298.1604 3419.8944 6154.6639 295.3473 PRESSURE: 1774600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1774600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1774600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1774600 0 0 0 0 0 0 0 0 0 TIMING: 1774600 CPU: 7093.31, 0.00395176/step Wall: 7093.31, 0.00395176/step, 0.79628 hours remaining, 114.421875 MB of memory in use. ENERGY: 1774600 624.6242 1808.4305 1979.5867 114.9398 0.1886 -1085.3078 0.0000 0.0000 2700.2128 6142.6748 298.2460 3442.4621 6178.3719 295.0882 PRESSURE: 1774800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1774800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1774800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1774800 0 0 0 0 0 0 0 0 0 TIMING: 1774800 CPU: 7094.1, 0.00395092/step Wall: 7094.1, 0.00395091/step, 0.795889 hours remaining, 114.421875 MB of memory in use. ENERGY: 1774800 657.0092 1813.4237 1976.0546 102.8355 1.5372 -1104.1579 0.0000 0.0000 2695.9294 6142.6318 297.7729 3446.7024 6177.5904 296.4400 PRESSURE: 1775000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1775000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1775000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1775000 0 0 0 0 0 0 0 0 0 TIMING: 1775000 CPU: 7094.89, 0.00394881/step Wall: 7094.89, 0.00394881/step, 0.795246 hours remaining, 114.421875 MB of memory in use. ENERGY: 1775000 650.2604 1813.4222 1962.4069 115.8011 -0.0504 -1078.3331 0.0000 0.0000 2698.4643 6161.9714 298.0529 3463.5071 6194.1600 295.4708 PRESSURE: 1775200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1775200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1775200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1775200 0 0 0 0 0 0 0 0 0 TIMING: 1775200 CPU: 7095.68, 0.00394667/step Wall: 7095.68, 0.00394667/step, 0.794596 hours remaining, 114.421875 MB of memory in use. ENERGY: 1775200 641.0553 1822.3403 1941.4502 111.8289 0.4450 -1080.9629 0.0000 0.0000 2767.4761 6203.6329 305.6754 3436.1567 6238.0276 298.7617 PRESSURE: 1775400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1775400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1775400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1775400 0 0 0 0 0 0 0 0 0 TIMING: 1775400 CPU: 7096.47, 0.00395092/step Wall: 7096.47, 0.00395092/step, 0.795231 hours remaining, 114.421875 MB of memory in use. ENERGY: 1775400 615.3776 1814.1569 1993.4979 115.4405 1.1478 -1076.1651 0.0000 0.0000 2679.5584 6143.0140 295.9647 3463.4557 6173.5958 298.3832 PRESSURE: 1775600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1775600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1775600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1775600 0 0 0 0 0 0 0 0 0 TIMING: 1775600 CPU: 7097.26, 0.00395238/step Wall: 7097.26, 0.00395238/step, 0.795307 hours remaining, 114.421875 MB of memory in use. ENERGY: 1775600 615.0046 1826.4148 1937.6944 100.1537 1.6719 -1012.3807 0.0000 0.0000 2659.7152 6128.2738 293.7729 3468.5587 6159.3662 294.8258 PRESSURE: 1775800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1775800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1775800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1775800 0 0 0 0 0 0 0 0 0 TIMING: 1775800 CPU: 7098.05, 0.00394909/step Wall: 7098.05, 0.00394909/step, 0.794425 hours remaining, 114.421875 MB of memory in use. ENERGY: 1775800 610.7427 1835.5776 1944.0540 117.1956 1.7905 -1053.4881 0.0000 0.0000 2666.1751 6122.0475 294.4865 3455.8723 6155.8951 293.8093 PRESSURE: 1776000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1776000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1776000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1776000 0 0 0 0 0 0 0 0 0 TIMING: 1776000 CPU: 7098.85, 0.00396361/step Wall: 7098.85, 0.00396361/step, 0.797127 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1776000 643.3311 1820.9368 1950.5143 103.4501 2.0060 -1080.0710 0.0000 0.0000 2627.7555 6067.9229 290.2429 3440.1674 6099.1143 292.7375 PRESSURE: 1776200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1776200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1776200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1776200 0 0 0 0 0 0 0 0 0 TIMING: 1776200 CPU: 7099.64, 0.00394701/step Wall: 7099.64, 0.00394701/step, 0.793569 hours remaining, 114.421875 MB of memory in use. ENERGY: 1776200 619.5913 1810.8052 1938.6722 106.3700 2.9665 -1101.9502 0.0000 0.0000 2645.1024 6021.5574 292.1589 3376.4550 6056.5973 292.6339 LDB: ============= START OF LOAD BALANCING ============== 7102.6 LDB: ============== END OF LOAD BALANCING =============== 7102.6 LDB: =============== DONE WITH MIGRATION ================ 7102.6 LDB: ============= START OF LOAD BALANCING ============== 7102.99 LDB: ============== END OF LOAD BALANCING =============== 7102.99 LDB: =============== DONE WITH MIGRATION ================ 7102.99 PRESSURE: 1776400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1776400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1776400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1776400 0 0 0 0 0 0 0 0 0 TIMING: 1776400 CPU: 7100.43, 0.00395501/step Wall: 7100.43, 0.00395501/step, 0.794957 hours remaining, 114.421875 MB of memory in use. ENERGY: 1776400 611.4918 1829.1866 1944.1697 108.4421 1.7349 -1060.3908 0.0000 0.0000 2634.2524 6068.8866 290.9605 3434.6343 6100.9156 291.9494 PRESSURE: 1776600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1776600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1776600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1776600 0 0 0 0 0 0 0 0 0 TIMING: 1776600 CPU: 7101.22, 0.00395152/step Wall: 7101.22, 0.00395153/step, 0.794038 hours remaining, 114.421875 MB of memory in use. ENERGY: 1776600 646.9361 1770.0118 1950.6518 99.5443 2.6770 -1085.3344 0.0000 0.0000 2689.1567 6073.6433 297.0248 3384.4866 6107.0188 292.4547 PRESSURE: 1776800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1776800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1776800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1776800 0 0 0 0 0 0 0 0 0 TIMING: 1776800 CPU: 7102.01, 0.00394875/step Wall: 7102.01, 0.00394875/step, 0.793259 hours remaining, 114.421875 MB of memory in use. ENERGY: 1776800 696.1114 1768.4621 1937.7550 124.4004 2.0601 -1065.5122 0.0000 0.0000 2693.0844 6156.3613 297.4587 3463.2768 6189.3208 295.8640 PRESSURE: 1777000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1777000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1777000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1777000 0 0 0 0 0 0 0 0 0 TIMING: 1777000 CPU: 7102.8, 0.00395117/step Wall: 7102.8, 0.00395117/step, 0.793526 hours remaining, 114.421875 MB of memory in use. ENERGY: 1777000 674.2445 1845.7711 1926.1374 100.1158 1.5789 -1052.9184 0.0000 0.0000 2669.2944 6164.2235 294.8310 3494.9291 6196.1819 296.7065 PRESSURE: 1777200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1777200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1777200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1777200 0 0 0 0 0 0 0 0 0 TIMING: 1777200 CPU: 7103.59, 0.00394647/step Wall: 7103.59, 0.00394647/step, 0.792363 hours remaining, 114.421875 MB of memory in use. ENERGY: 1777200 608.5928 1858.0589 1922.0369 106.7906 1.2634 -1051.9493 0.0000 0.0000 2695.8868 6140.6801 297.7682 3444.7933 6173.4874 296.0861 PRESSURE: 1777400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1777400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1777400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1777400 0 0 0 0 0 0 0 0 0 TIMING: 1777400 CPU: 7104.38, 0.00394992/step Wall: 7104.38, 0.00394992/step, 0.792836 hours remaining, 114.421875 MB of memory in use. ENERGY: 1777400 663.8519 1831.1104 1965.2266 94.8517 0.7444 -1079.9918 0.0000 0.0000 2654.0332 6129.8263 293.1454 3475.7932 6159.1464 295.8468 PRESSURE: 1777600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1777600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1777600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1777600 0 0 0 0 0 0 0 0 0 TIMING: 1777600 CPU: 7105.17, 0.0039521/step Wall: 7105.17, 0.0039521/step, 0.793054 hours remaining, 114.421875 MB of memory in use. ENERGY: 1777600 645.0653 1832.9584 1969.4932 117.2947 1.4588 -1105.1430 0.0000 0.0000 2647.0630 6108.1903 292.3755 3461.1274 6140.3194 294.2253 PRESSURE: 1777800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1777800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1777800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1777800 0 0 0 0 0 0 0 0 0 TIMING: 1777800 CPU: 7105.96, 0.00395314/step Wall: 7105.96, 0.00395314/step, 0.793045 hours remaining, 114.421875 MB of memory in use. ENERGY: 1777800 695.4781 1787.2967 1935.8151 103.9552 2.0098 -1088.4296 0.0000 0.0000 2677.7517 6113.8769 295.7651 3436.1252 6147.3399 294.1182 PRESSURE: 1778000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1778000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1778000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1778000 0 0 0 0 0 0 0 0 0 TIMING: 1778000 CPU: 7106.75, 0.00395126/step Wall: 7106.75, 0.00395126/step, 0.792446 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1778000 626.4332 1830.1939 1959.9630 110.0916 1.8019 -1072.3302 0.0000 0.0000 2717.5893 6173.7428 300.1653 3456.1535 6207.3525 295.6505 PRESSURE: 1778200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1778200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1778200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1778200 0 0 0 0 0 0 0 0 0 TIMING: 1778200 CPU: 7107.54, 0.00394595/step Wall: 7107.54, 0.00394595/step, 0.791163 hours remaining, 114.421875 MB of memory in use. ENERGY: 1778200 675.9820 1832.0513 1950.7495 91.7688 2.0726 -1111.2598 0.0000 0.0000 2712.7546 6154.1191 299.6313 3441.3645 6185.3506 298.0479 PRESSURE: 1778400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1778400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1778400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1778400 0 0 0 0 0 0 0 0 0 TIMING: 1778400 CPU: 7108.33, 0.00395067/step Wall: 7108.33, 0.00395067/step, 0.79189 hours remaining, 114.421875 MB of memory in use. ENERGY: 1778400 673.6571 1842.6407 1942.5975 109.5236 1.2899 -1102.6386 0.0000 0.0000 2640.0552 6107.1254 291.6015 3467.0702 6137.5774 295.3655 PRESSURE: 1778600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1778600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1778600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1778600 0 0 0 0 0 0 0 0 0 TIMING: 1778600 CPU: 7109.12, 0.00395213/step Wall: 7109.12, 0.00395213/step, 0.791962 hours remaining, 114.421875 MB of memory in use. ENERGY: 1778600 661.4664 1844.4155 1962.3310 112.5783 1.5882 -1110.2905 0.0000 0.0000 2689.8066 6161.8956 297.0966 3472.0890 6193.0402 295.5868 PRESSURE: 1778800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1778800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1778800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1778800 0 0 0 0 0 0 0 0 0 TIMING: 1778800 CPU: 7109.91, 0.00395001/step Wall: 7109.91, 0.00395001/step, 0.791319 hours remaining, 114.421875 MB of memory in use. ENERGY: 1778800 677.5699 1839.6680 1943.4007 106.3710 1.4557 -1090.0919 0.0000 0.0000 2683.2300 6161.6034 296.3702 3478.3735 6196.8290 297.5209 PRESSURE: 1779000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1779000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1779000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1779000 0 0 0 0 0 0 0 0 0 TIMING: 1779000 CPU: 7110.7, 0.00394677/step Wall: 7110.7, 0.00394677/step, 0.79045 hours remaining, 114.421875 MB of memory in use. ENERGY: 1779000 636.4153 1848.0617 1942.0107 111.3807 0.9839 -1100.9869 0.0000 0.0000 2654.3373 6092.2027 293.1789 3437.8654 6125.3951 295.7813 PRESSURE: 1779200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1779200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1779200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1779200 0 0 0 0 0 0 0 0 0 TIMING: 1779200 CPU: 7111.49, 0.00395259/step Wall: 7111.49, 0.00395259/step, 0.791395 hours remaining, 114.421875 MB of memory in use. ENERGY: 1779200 624.8919 1823.5176 1961.6648 109.1693 1.0786 -1065.2257 0.0000 0.0000 2604.6519 6059.7484 287.6911 3455.0965 6089.2077 292.7581 PRESSURE: 1779400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1779400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1779400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1779400 0 0 0 0 0 0 0 0 0 TIMING: 1779400 CPU: 7112.28, 0.00395247/step Wall: 7112.28, 0.00395247/step, 0.791152 hours remaining, 114.421875 MB of memory in use. ENERGY: 1779400 616.1747 1851.4308 1964.6631 101.6288 1.3786 -1100.4680 0.0000 0.0000 2632.3895 6067.1975 290.7547 3434.8081 6097.4595 290.2810 PRESSURE: 1779600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1779600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1779600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1779600 0 0 0 0 0 0 0 0 0 TIMING: 1779600 CPU: 7113.07, 0.00395242/step Wall: 7113.07, 0.00395242/step, 0.790924 hours remaining, 114.421875 MB of memory in use. ENERGY: 1779600 640.8515 1817.9698 1928.9589 97.2201 0.8113 -1080.3906 0.0000 0.0000 2681.0321 6086.4532 296.1275 3405.4210 6117.3414 292.8537 PRESSURE: 1779800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1779800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1779800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1779800 0 0 0 0 0 0 0 0 0 TIMING: 1779800 CPU: 7113.86, 0.00395071/step Wall: 7113.86, 0.00395071/step, 0.790362 hours remaining, 114.421875 MB of memory in use. ENERGY: 1779800 639.2102 1816.3863 1924.9237 112.1026 0.9655 -1049.3827 0.0000 0.0000 2729.3630 6173.5687 301.4657 3444.2057 6209.4425 295.3410 PRESSURE: 1780000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1780000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1780000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1780000 0 0 0 0 0 0 0 0 0 TIMING: 1780000 CPU: 7114.65, 0.00394796/step Wall: 7114.65, 0.00394796/step, 0.789592 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1780000 681.0579 1801.2094 1966.8973 98.4518 1.6765 -1093.4383 0.0000 0.0000 2751.1876 6207.0422 303.8763 3455.8546 6242.1808 297.8888 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1780000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1780000 WRITING COORDINATES TO RESTART FILE AT STEP 1780000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1780000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1780200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1780200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1780200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1780200 0 0 0 0 0 0 0 0 0 TIMING: 1780200 CPU: 7115.49, 0.00422094/step Wall: 7115.49, 0.00422094/step, 0.843954 hours remaining, 114.421875 MB of memory in use. ENERGY: 1780200 638.8586 1840.0074 2002.0406 95.7321 0.5652 -1077.5011 0.0000 0.0000 2697.8504 6197.5533 297.9851 3499.7029 6229.9352 298.6458 LDB: ============= START OF LOAD BALANCING ============== 7118.45 LDB: ============== END OF LOAD BALANCING =============== 7118.45 LDB: =============== DONE WITH MIGRATION ================ 7118.45 LDB: ============= START OF LOAD BALANCING ============== 7118.85 LDB: ============== END OF LOAD BALANCING =============== 7118.85 LDB: =============== DONE WITH MIGRATION ================ 7118.85 PRESSURE: 1780400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1780400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1780400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1780400 0 0 0 0 0 0 0 0 0 TIMING: 1780400 CPU: 7116.28, 0.00395576/step Wall: 7116.28, 0.00395576/step, 0.790712 hours remaining, 114.421875 MB of memory in use. ENERGY: 1780400 652.1448 1889.3370 1956.8788 99.4649 0.8516 -1097.8833 0.0000 0.0000 2710.7516 6211.5455 299.4101 3500.7939 6245.1845 300.8006 PRESSURE: 1780600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1780600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1780600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1780600 0 0 0 0 0 0 0 0 0 TIMING: 1780600 CPU: 7117.07, 0.00395031/step Wall: 7117.07, 0.00395031/step, 0.789405 hours remaining, 114.421875 MB of memory in use. ENERGY: 1780600 665.8895 1853.4836 1958.8029 100.9538 3.6284 -1079.3990 0.0000 0.0000 2716.0706 6219.4298 299.9976 3503.3592 6254.7987 300.9590 PRESSURE: 1780800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1780800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1780800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1780800 0 0 0 0 0 0 0 0 0 TIMING: 1780800 CPU: 7117.86, 0.00395022/step Wall: 7117.86, 0.00395022/step, 0.789165 hours remaining, 114.421875 MB of memory in use. ENERGY: 1780800 687.9235 1894.5073 1969.5122 100.8695 1.2365 -1124.7732 0.0000 0.0000 2690.1575 6219.4334 297.1354 3529.2758 6248.0119 298.9875 PRESSURE: 1781000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1781000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1781000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1781000 0 0 0 0 0 0 0 0 0 TIMING: 1781000 CPU: 7118.65, 0.00394596/step Wall: 7118.65, 0.00394596/step, 0.788097 hours remaining, 114.421875 MB of memory in use. ENERGY: 1781000 649.9990 1914.4817 1946.9318 96.4069 3.1126 -1090.4865 0.0000 0.0000 2692.2728 6212.7184 297.3690 3520.4456 6248.5261 299.5755 PRESSURE: 1781200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1781200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1781200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1781200 0 0 0 0 0 0 0 0 0 TIMING: 1781200 CPU: 7119.44, 0.00395053/step Wall: 7119.44, 0.00395053/step, 0.788788 hours remaining, 114.421875 MB of memory in use. ENERGY: 1781200 666.5109 1864.7632 1956.1295 101.4884 2.9468 -1087.9767 0.0000 0.0000 2667.5184 6171.3806 294.6348 3503.8621 6200.9273 296.4566 PRESSURE: 1781400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1781400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1781400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1781400 0 0 0 0 0 0 0 0 0 TIMING: 1781400 CPU: 7120.23, 0.00395105/step Wall: 7120.23, 0.00395105/step, 0.788674 hours remaining, 114.421875 MB of memory in use. ENERGY: 1781400 689.2521 1865.5593 1959.0816 103.6440 3.4267 -1101.4674 0.0000 0.0000 2722.5734 6242.0697 300.7158 3519.4962 6272.3714 298.8229 PRESSURE: 1781600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1781600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1781600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1781600 0 0 0 0 0 0 0 0 0 TIMING: 1781600 CPU: 7121.02, 0.00395119/step Wall: 7121.02, 0.00395119/step, 0.788482 hours remaining, 114.421875 MB of memory in use. ENERGY: 1781600 654.8145 1833.0120 1956.4738 111.2370 3.1214 -1051.8000 0.0000 0.0000 2759.6079 6266.4665 304.8064 3506.8586 6302.8599 301.8293 PRESSURE: 1781800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1781800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1781800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1781800 0 0 0 0 0 0 0 0 0 TIMING: 1781800 CPU: 7121.81, 0.00394977/step Wall: 7121.81, 0.00394977/step, 0.787979 hours remaining, 114.421875 MB of memory in use. ENERGY: 1781800 689.6893 1868.0395 1955.1379 104.5400 2.0276 -1056.1345 0.0000 0.0000 2727.3366 6290.6364 301.2419 3563.2999 6321.6532 303.7143 PRESSURE: 1782000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1782000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1782000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1782000 0 0 0 0 0 0 0 0 0 TIMING: 1782000 CPU: 7122.6, 0.00394563/step Wall: 7122.6, 0.00394563/step, 0.786933 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1782000 657.4466 1839.2102 1965.4465 110.3994 1.8854 -1099.5581 0.0000 0.0000 2768.6335 6243.4634 305.8033 3474.8299 6278.2167 302.5876 PRESSURE: 1782200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1782200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1782200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1782200 0 0 0 0 0 0 0 0 0 TIMING: 1782200 CPU: 7123.39, 0.0039514/step Wall: 7123.39, 0.0039514/step, 0.787865 hours remaining, 114.421875 MB of memory in use. ENERGY: 1782200 671.1881 1890.4329 1930.7172 102.7858 2.9972 -1047.4886 0.0000 0.0000 2704.2377 6254.8704 298.6906 3550.6327 6287.8883 301.9614 PRESSURE: 1782400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1782400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1782400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1782400 0 0 0 0 0 0 0 0 0 TIMING: 1782400 CPU: 7124.18, 0.0039518/step Wall: 7124.18, 0.0039518/step, 0.787724 hours remaining, 114.421875 MB of memory in use. ENERGY: 1782400 632.8662 1879.6885 1962.1437 105.4852 1.4715 -1093.1314 0.0000 0.0000 2740.6751 6229.1988 302.7152 3488.5237 6261.3650 301.2410 PRESSURE: 1782600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1782600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1782600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1782600 0 0 0 0 0 0 0 0 0 TIMING: 1782600 CPU: 7124.98, 0.00396953/step Wall: 7124.98, 0.00396953/step, 0.791038 hours remaining, 114.421875 MB of memory in use. ENERGY: 1782600 645.8646 1865.4228 1975.1028 105.0716 2.3448 -1063.1947 0.0000 0.0000 2722.1897 6252.8016 300.6734 3530.6119 6284.8959 300.1383 PRESSURE: 1782800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1782800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1782800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1782800 0 0 0 0 0 0 0 0 0 TIMING: 1782800 CPU: 7125.77, 0.00395522/step Wall: 7125.77, 0.00395522/step, 0.787969 hours remaining, 114.421875 MB of memory in use. ENERGY: 1782800 696.6734 1875.0581 1943.6777 104.0793 1.4425 -1111.1252 0.0000 0.0000 2681.7559 6191.5617 296.2074 3509.8058 6226.6862 300.8748 PRESSURE: 1783000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1783000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1783000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1783000 0 0 0 0 0 0 0 0 0 TIMING: 1783000 CPU: 7126.56, 0.00395137/step Wall: 7126.56, 0.00395137/step, 0.786981 hours remaining, 114.421875 MB of memory in use. ENERGY: 1783000 672.6101 1818.8302 1975.9458 112.4849 0.6674 -1093.5161 0.0000 0.0000 2702.6390 6189.6613 298.5140 3487.0224 6222.6867 297.7028 PRESSURE: 1783200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1783200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1783200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1783200 0 0 0 0 0 0 0 0 0 TIMING: 1783200 CPU: 7127.35, 0.0039523/step Wall: 7127.35, 0.0039523/step, 0.786947 hours remaining, 114.421875 MB of memory in use. ENERGY: 1783200 657.5636 1829.5450 1944.4697 113.3764 2.2468 -1073.0258 0.0000 0.0000 2725.9544 6200.1301 301.0893 3474.1757 6235.3857 299.6425 PRESSURE: 1783400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1783400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1783400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1783400 0 0 0 0 0 0 0 0 0 TIMING: 1783400 CPU: 7128.14, 0.00395208/step Wall: 7128.14, 0.00395208/step, 0.786683 hours remaining, 114.421875 MB of memory in use. ENERGY: 1783400 643.2577 1822.3072 1978.0786 99.8178 1.9706 -1095.9870 0.0000 0.0000 2742.4991 6191.9440 302.9167 3449.4449 6226.5074 299.2212 PRESSURE: 1783600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1783600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1783600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1783600 0 0 0 0 0 0 0 0 0 TIMING: 1783600 CPU: 7128.93, 0.00395169/step Wall: 7128.93, 0.00395169/step, 0.786386 hours remaining, 114.421875 MB of memory in use. ENERGY: 1783600 674.6964 1830.5900 1976.1754 114.6530 1.2590 -1068.1327 0.0000 0.0000 2696.4466 6225.6879 297.8300 3529.2412 6257.7414 301.0147 PRESSURE: 1783800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1783800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1783800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1783800 0 0 0 0 0 0 0 0 0 TIMING: 1783800 CPU: 7129.72, 0.00394742/step Wall: 7129.72, 0.00394742/step, 0.785317 hours remaining, 114.421875 MB of memory in use. ENERGY: 1783800 628.9487 1881.2700 1962.2041 107.3261 3.4615 -1071.2532 0.0000 0.0000 2719.3999 6231.3572 300.3653 3511.9573 6262.6337 301.3612 PRESSURE: 1784000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1784000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1784000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1784000 0 0 0 0 0 0 0 0 0 TIMING: 1784000 CPU: 7130.51, 0.00395077/step Wall: 7130.51, 0.00395077/step, 0.785765 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1784000 663.8359 1863.3856 1961.2458 110.8769 1.8227 -1079.7211 0.0000 0.0000 2684.5755 6206.0212 296.5188 3521.4458 6235.9321 298.6555 PRESSURE: 1784200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1784200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1784200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1784200 0 0 0 0 0 0 0 0 0 TIMING: 1784200 CPU: 7131.3, 0.00395221/step Wall: 7131.3, 0.00395221/step, 0.78583 hours remaining, 114.421875 MB of memory in use. ENERGY: 1784200 690.9127 1806.2015 1955.5088 116.6188 1.7523 -1074.7510 0.0000 0.0000 2696.1708 6192.4139 297.7996 3496.2431 6223.6878 297.7408 LDB: ============= START OF LOAD BALANCING ============== 7134.26 LDB: ============== END OF LOAD BALANCING =============== 7134.26 LDB: =============== DONE WITH MIGRATION ================ 7134.26 LDB: ============= START OF LOAD BALANCING ============== 7134.65 LDB: ============== END OF LOAD BALANCING =============== 7134.65 LDB: =============== DONE WITH MIGRATION ================ 7134.65 PRESSURE: 1784400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1784400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1784400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1784400 0 0 0 0 0 0 0 0 0 TIMING: 1784400 CPU: 7132.09, 0.00395607/step Wall: 7132.09, 0.00395607/step, 0.786378 hours remaining, 114.421875 MB of memory in use. ENERGY: 1784400 668.4124 1870.3822 1960.4123 115.2547 1.1774 -1098.9543 0.0000 0.0000 2680.1074 6196.7921 296.0253 3516.6847 6227.2963 297.9165 PRESSURE: 1784600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1784600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1784600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1784600 0 0 0 0 0 0 0 0 0 TIMING: 1784600 CPU: 7132.88, 0.00395028/step Wall: 7132.88, 0.00395028/step, 0.785008 hours remaining, 114.421875 MB of memory in use. ENERGY: 1784600 667.9417 1891.6341 1962.5471 111.4593 2.4605 -1075.4694 0.0000 0.0000 2686.6183 6247.1916 296.7445 3560.5733 6277.8738 299.0197 PRESSURE: 1784800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1784800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1784800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1784800 0 0 0 0 0 0 0 0 0 TIMING: 1784800 CPU: 7133.67, 0.0039457/step Wall: 7133.67, 0.00394569/step, 0.783878 hours remaining, 114.421875 MB of memory in use. ENERGY: 1784800 652.4871 1900.6752 1947.3187 104.0461 1.5278 -1077.7987 0.0000 0.0000 2759.9629 6288.2192 304.8456 3528.2562 6322.4211 302.1170 PRESSURE: 1785000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1785000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1785000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1785000 0 0 0 0 0 0 0 0 0 TIMING: 1785000 CPU: 7134.46, 0.00395125/step Wall: 7134.46, 0.00395126/step, 0.784763 hours remaining, 114.421875 MB of memory in use. ENERGY: 1785000 643.6964 1817.8197 1928.0412 106.6364 2.1748 -1037.4397 0.0000 0.0000 2713.4445 6174.3734 299.7075 3460.9288 6209.4292 299.7875 PRESSURE: 1785200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1785200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1785200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1785200 0 0 0 0 0 0 0 0 0 TIMING: 1785200 CPU: 7135.25, 0.00395086/step Wall: 7135.25, 0.00395086/step, 0.784464 hours remaining, 114.421875 MB of memory in use. ENERGY: 1785200 640.1659 1858.6914 1940.0511 115.7261 1.2945 -1066.8755 0.0000 0.0000 2703.1357 6192.1891 298.5689 3489.0535 6225.8643 299.1303 PRESSURE: 1785400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1785400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1785400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1785400 0 0 0 0 0 0 0 0 0 TIMING: 1785400 CPU: 7136.04, 0.00395046/step Wall: 7136.04, 0.00395046/step, 0.784165 hours remaining, 114.421875 MB of memory in use. ENERGY: 1785400 637.4490 1866.0966 1954.3933 106.3211 0.9701 -1039.3196 0.0000 0.0000 2642.6767 6168.5871 291.8910 3525.9105 6199.2070 296.8697 PRESSURE: 1785600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1785600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1785600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1785600 0 0 0 0 0 0 0 0 0 TIMING: 1785600 CPU: 7136.83, 0.00394983/step Wall: 7136.83, 0.00394983/step, 0.783822 hours remaining, 114.421875 MB of memory in use. ENERGY: 1785600 658.9510 1857.7830 1935.3628 99.0022 2.9893 -1080.1171 0.0000 0.0000 2708.0888 6182.0600 299.1160 3473.9712 6218.9974 295.6150 PRESSURE: 1785800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1785800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1785800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1785800 0 0 0 0 0 0 0 0 0 TIMING: 1785800 CPU: 7137.62, 0.00394783/step Wall: 7137.62, 0.00394783/step, 0.783207 hours remaining, 114.421875 MB of memory in use. ENERGY: 1785800 664.4109 1886.6945 1934.5436 93.9477 2.2918 -1098.4768 0.0000 0.0000 2676.8194 6160.2310 295.6622 3483.4116 6192.5285 295.8149 PRESSURE: 1786000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1786000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1786000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1786000 0 0 0 0 0 0 0 0 0 TIMING: 1786000 CPU: 7138.41, 0.00395049/step Wall: 7138.41, 0.00395049/step, 0.783514 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1786000 653.1851 1806.2406 1971.3978 115.9908 0.5161 -1084.4183 0.0000 0.0000 2690.8675 6153.7795 297.2138 3462.9121 6189.8897 297.7901 PRESSURE: 1786200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1786200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1786200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1786200 0 0 0 0 0 0 0 0 0 TIMING: 1786200 CPU: 7139.2, 0.00395972/step Wall: 7139.2, 0.00395972/step, 0.785125 hours remaining, 114.421875 MB of memory in use. ENERGY: 1786200 640.4136 1830.8943 1958.5579 115.2763 1.8538 -1062.1404 0.0000 0.0000 2668.7261 6153.5816 294.7682 3484.8556 6185.5158 295.3898 PRESSURE: 1786400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1786400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1786400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1786400 0 0 0 0 0 0 0 0 0 TIMING: 1786400 CPU: 7139.99, 0.00394992/step Wall: 7139.99, 0.00394992/step, 0.782962 hours remaining, 114.421875 MB of memory in use. ENERGY: 1786400 655.2186 1800.6444 1953.4942 112.4387 1.8287 -1089.5753 0.0000 0.0000 2678.9368 6112.9859 295.8960 3434.0492 6146.0098 295.4594 PRESSURE: 1786600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1786600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1786600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1786600 0 0 0 0 0 0 0 0 0 TIMING: 1786600 CPU: 7140.78, 0.00395083/step Wall: 7140.78, 0.00395083/step, 0.782923 hours remaining, 114.421875 MB of memory in use. ENERGY: 1786600 635.8278 1878.8479 1956.4414 109.5202 1.5681 -1107.9992 0.0000 0.0000 2651.2929 6125.4991 292.8427 3474.2063 6156.4316 294.8551 PRESSURE: 1786800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1786800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1786800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1786800 0 0 0 0 0 0 0 0 0 TIMING: 1786800 CPU: 7141.57, 0.00395072/step Wall: 7141.57, 0.00395072/step, 0.782681 hours remaining, 114.421875 MB of memory in use. ENERGY: 1786800 627.0778 1858.5761 1939.0783 101.1136 2.6071 -1049.6132 0.0000 0.0000 2693.0468 6171.8864 297.4545 3478.8396 6204.0734 295.0439 PRESSURE: 1787000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1787000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1787000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1787000 0 0 0 0 0 0 0 0 0 TIMING: 1787000 CPU: 7142.36, 0.00394951/step Wall: 7142.36, 0.00394951/step, 0.782223 hours remaining, 114.421875 MB of memory in use. ENERGY: 1787000 656.0256 1834.8435 1974.1532 108.4271 2.4925 -1044.4090 0.0000 0.0000 2692.1824 6223.7152 297.3590 3531.5329 6256.4694 296.7485 PRESSURE: 1787200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1787200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1787200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1787200 0 0 0 0 0 0 0 0 0 TIMING: 1787200 CPU: 7143.15, 0.0039503/step Wall: 7143.15, 0.0039503/step, 0.78216 hours remaining, 114.421875 MB of memory in use. ENERGY: 1787200 640.5009 1881.4653 1962.1969 105.6364 2.8233 -1044.4767 0.0000 0.0000 2693.5587 6241.7047 297.5111 3548.1461 6273.8509 300.1945 PRESSURE: 1787400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1787400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1787400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1787400 0 0 0 0 0 0 0 0 0 TIMING: 1787400 CPU: 7143.94, 0.0039491/step Wall: 7143.94, 0.0039491/step, 0.781701 hours remaining, 114.421875 MB of memory in use. ENERGY: 1787400 667.1079 1853.5731 1985.9330 104.8640 1.9801 -1056.4123 0.0000 0.0000 2715.9572 6273.0030 299.9850 3557.0457 6305.7160 300.3846 PRESSURE: 1787600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1787600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1787600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1787600 0 0 0 0 0 0 0 0 0 TIMING: 1787600 CPU: 7144.73, 0.00394495/step Wall: 7144.73, 0.00394495/step, 0.780661 hours remaining, 114.421875 MB of memory in use. ENERGY: 1787600 672.0126 1853.2068 1955.6415 96.4956 2.5280 -1034.9741 0.0000 0.0000 2715.2997 6260.2101 299.9124 3544.9104 6293.4068 303.3885 PRESSURE: 1787800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1787800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1787800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1787800 0 0 0 0 0 0 0 0 0 TIMING: 1787800 CPU: 7145.52, 0.00394917/step Wall: 7145.52, 0.00394917/step, 0.781278 hours remaining, 114.421875 MB of memory in use. ENERGY: 1787800 669.8922 1851.5724 1978.2894 107.0369 1.6237 -1076.9242 0.0000 0.0000 2794.9575 6326.4479 308.7108 3531.4904 6360.7758 303.3132 PRESSURE: 1788000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1788000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1788000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1788000 0 0 0 0 0 0 0 0 0 TIMING: 1788000 CPU: 7146.31, 0.00395038/step Wall: 7146.31, 0.00395038/step, 0.781297 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1788000 650.8521 1914.9176 1968.0118 110.0936 1.5168 -1087.8882 0.0000 0.0000 2760.7260 6318.2297 304.9299 3557.5037 6353.5979 304.6588 PRESSURE: 1788200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1788200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1788200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1788200 0 0 0 0 0 0 0 0 0 TIMING: 1788200 CPU: 7147.1, 0.00395056/step Wall: 7147.1, 0.00395056/step, 0.781113 hours remaining, 114.421875 MB of memory in use. ENERGY: 1788200 645.1230 1863.9786 1987.5723 119.0506 1.0368 -1005.3919 0.0000 0.0000 2711.1524 6322.5218 299.4543 3611.3694 6353.8313 304.4097 LDB: ============= START OF LOAD BALANCING ============== 7150.06 LDB: ============== END OF LOAD BALANCING =============== 7150.06 LDB: =============== DONE WITH MIGRATION ================ 7150.06 LDB: ============= START OF LOAD BALANCING ============== 7150.46 LDB: ============== END OF LOAD BALANCING =============== 7150.46 LDB: =============== DONE WITH MIGRATION ================ 7150.46 PRESSURE: 1788400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1788400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1788400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1788400 0 0 0 0 0 0 0 0 0 TIMING: 1788400 CPU: 7147.89, 0.00395253/step Wall: 7147.89, 0.00395253/step, 0.781283 hours remaining, 114.421875 MB of memory in use. ENERGY: 1788400 632.0385 1818.9822 1984.9343 118.2538 1.3052 -1009.7185 0.0000 0.0000 2786.0866 6331.8821 307.7310 3545.7955 6367.2613 305.6852 PRESSURE: 1788600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1788600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1788600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1788600 0 0 0 0 0 0 0 0 0 TIMING: 1788600 CPU: 7148.68, 0.00394403/step Wall: 7148.68, 0.00394403/step, 0.779385 hours remaining, 114.421875 MB of memory in use. ENERGY: 1788600 678.3602 1797.6426 1956.4423 110.6598 1.6898 -1049.0324 0.0000 0.0000 2726.8629 6222.6252 301.1896 3495.7624 6256.5195 302.1941 PRESSURE: 1788800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1788800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1788800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1788800 0 0 0 0 0 0 0 0 0 TIMING: 1788800 CPU: 7149.47, 0.00395009/step Wall: 7149.47, 0.00395009/step, 0.780361 hours remaining, 114.421875 MB of memory in use. ENERGY: 1788800 675.9979 1865.5167 1965.1386 97.5963 1.7307 -1065.6596 0.0000 0.0000 2711.3251 6251.6457 299.4734 3540.3206 6281.7124 301.2328 PRESSURE: 1789000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1789000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1789000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1789000 0 0 0 0 0 0 0 0 0 TIMING: 1789000 CPU: 7150.26, 0.00394966/step Wall: 7150.26, 0.00394966/step, 0.780059 hours remaining, 114.421875 MB of memory in use. ENERGY: 1789000 619.2357 1888.6265 1981.3560 99.1905 1.5687 -1067.6491 0.0000 0.0000 2701.8410 6224.1692 298.4259 3522.3282 6257.1832 301.2456 PRESSURE: 1789200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1789200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1789200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1789200 0 0 0 0 0 0 0 0 0 TIMING: 1789200 CPU: 7151.05, 0.00394995/step Wall: 7151.05, 0.00394995/step, 0.779897 hours remaining, 114.421875 MB of memory in use. ENERGY: 1789200 633.5936 1877.9317 1958.5061 102.7381 1.3887 -1076.6872 0.0000 0.0000 2723.5057 6220.9768 300.8188 3497.4711 6253.3673 298.9149 PRESSURE: 1789400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1789400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1789400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1789400 0 0 0 0 0 0 0 0 0 TIMING: 1789400 CPU: 7151.84, 0.00394873/step Wall: 7151.84, 0.00394873/step, 0.779436 hours remaining, 114.421875 MB of memory in use. ENERGY: 1789400 671.6373 1855.7902 1961.6417 110.3800 1.2866 -1073.6892 0.0000 0.0000 2720.7906 6247.8372 300.5189 3527.0466 6280.7980 301.5132 PRESSURE: 1789600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1789600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1789600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1789600 0 0 0 0 0 0 0 0 0 TIMING: 1789600 CPU: 7152.63, 0.00394523/step Wall: 7152.63, 0.00394523/step, 0.778525 hours remaining, 114.421875 MB of memory in use. ENERGY: 1789600 645.0593 1911.8323 1944.7829 100.7146 1.8599 -1088.0990 0.0000 0.0000 2696.4726 6212.6226 297.8329 3516.1500 6242.7404 300.0925 PRESSURE: 1789800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1789800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1789800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1789800 0 0 0 0 0 0 0 0 0 TIMING: 1789800 CPU: 7153.42, 0.00394932/step Wall: 7153.42, 0.00394932/step, 0.779112 hours remaining, 114.421875 MB of memory in use. ENERGY: 1789800 663.7326 1893.8600 1951.4953 131.4553 1.4735 -1060.1491 0.0000 0.0000 2703.0349 6284.9025 298.5577 3581.8676 6319.6584 302.0461 PRESSURE: 1790000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1790000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1790000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1790000 0 0 0 0 0 0 0 0 0 TIMING: 1790000 CPU: 7154.21, 0.00395133/step Wall: 7154.21, 0.00395133/step, 0.779291 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1790000 669.0012 1816.4285 1969.3422 108.2167 0.8139 -1054.6662 0.0000 0.0000 2765.7661 6274.9023 305.4866 3509.1362 6310.8550 303.9685 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1790000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1790000 WRITING COORDINATES TO RESTART FILE AT STEP 1790000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1790000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1790200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1790200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1790200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1790200 0 0 0 0 0 0 0 0 0 TIMING: 1790200 CPU: 7155.04, 0.00415689/step Wall: 7155.04, 0.00415689/step, 0.819601 hours remaining, 114.421875 MB of memory in use. ENERGY: 1790200 665.1696 1852.1979 1979.4728 108.1089 -0.5822 -1066.7313 0.0000 0.0000 2729.0890 6266.7247 301.4355 3537.6357 6300.1940 302.9031 PRESSURE: 1790400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1790400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1790400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1790400 0 0 0 0 0 0 0 0 0 TIMING: 1790400 CPU: 7155.83, 0.00394711/step Wall: 7155.83, 0.00394711/step, 0.77802 hours remaining, 114.421875 MB of memory in use. ENERGY: 1790400 687.3867 1850.2797 1967.2500 126.3095 0.4966 -1055.7786 0.0000 0.0000 2731.9833 6307.9272 301.7552 3575.9440 6342.7304 304.1945 PRESSURE: 1790600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1790600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1790600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1790600 0 0 0 0 0 0 0 0 0 TIMING: 1790600 CPU: 7156.62, 0.00395001/step Wall: 7156.62, 0.00395001/step, 0.778372 hours remaining, 114.421875 MB of memory in use. ENERGY: 1790600 649.2240 1829.5710 1952.2812 103.5450 1.6717 -1051.8684 0.0000 0.0000 2723.8493 6208.2737 300.8567 3484.4244 6240.8417 301.6162 PRESSURE: 1790800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1790800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1790800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1790800 0 0 0 0 0 0 0 0 0 TIMING: 1790800 CPU: 7157.41, 0.00394985/step Wall: 7157.41, 0.00394985/step, 0.778121 hours remaining, 114.421875 MB of memory in use. ENERGY: 1790800 673.1829 1870.9660 1947.3709 99.0504 0.9767 -1040.4360 0.0000 0.0000 2664.4065 6215.5174 294.2911 3551.1109 6247.1314 299.9055 PRESSURE: 1791000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1791000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1791000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1791000 0 0 0 0 0 0 0 0 0 TIMING: 1791000 CPU: 7158.2, 0.00394933/step Wall: 7158.2, 0.00394933/step, 0.777798 hours remaining, 114.421875 MB of memory in use. ENERGY: 1791000 687.4572 1877.8296 1938.2778 103.3353 1.0599 -1079.9316 0.0000 0.0000 2734.8840 6262.9124 302.0756 3528.0284 6294.2956 301.6808 PRESSURE: 1791200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1791200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1791200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1791200 0 0 0 0 0 0 0 0 0 TIMING: 1791200 CPU: 7158.99, 0.00394871/step Wall: 7158.99, 0.00394871/step, 0.777456 hours remaining, 114.421875 MB of memory in use. ENERGY: 1791200 666.4287 1789.2017 1978.5662 100.5871 2.5039 -1100.4829 0.0000 0.0000 2757.6452 6194.4500 304.5896 3436.8048 6229.3336 299.1853 PRESSURE: 1791400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1791400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1791400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1791400 0 0 0 0 0 0 0 0 0 TIMING: 1791400 CPU: 7159.78, 0.00394544/step Wall: 7159.78, 0.00394544/step, 0.776595 hours remaining, 114.421875 MB of memory in use. ENERGY: 1791400 660.8756 1834.0752 1955.7085 114.7965 2.6076 -1053.1136 0.0000 0.0000 2672.3309 6187.2808 295.1664 3514.9499 6218.2599 298.6538 PRESSURE: 1791600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1791600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1791600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1791600 0 0 0 0 0 0 0 0 0 TIMING: 1791600 CPU: 7160.57, 0.003952/step Wall: 7160.57, 0.003952/step, 0.777665 hours remaining, 114.421875 MB of memory in use. ENERGY: 1791600 664.7924 1844.6235 1986.2572 106.7426 2.4049 -1051.2064 0.0000 0.0000 2738.0515 6291.6657 302.4254 3553.6142 6326.7233 298.1900 PRESSURE: 1791800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1791800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1791800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1791800 0 0 0 0 0 0 0 0 0 TIMING: 1791800 CPU: 7161.36, 0.00394943/step Wall: 7161.36, 0.00394943/step, 0.77694 hours remaining, 114.421875 MB of memory in use. ENERGY: 1791800 683.5950 1795.7008 1990.0035 95.3932 1.0102 -1072.3802 0.0000 0.0000 2833.2766 6326.5991 312.9433 3493.3225 6362.6039 303.7606 PRESSURE: 1792000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1792000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1792000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1792000 0 0 0 0 0 0 0 0 0 TIMING: 1792000 CPU: 7162.15, 0.00394858/step Wall: 7162.15, 0.00394858/step, 0.776554 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1792000 652.3997 1865.6399 1948.7311 105.2902 1.6981 -1056.5671 0.0000 0.0000 2774.2307 6291.4226 306.4215 3517.1919 6323.4569 305.3248 PRESSURE: 1792200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1792200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1792200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1792200 0 0 0 0 0 0 0 0 0 TIMING: 1792200 CPU: 7162.94, 0.00394892/step Wall: 7162.94, 0.00394892/step, 0.776401 hours remaining, 114.421875 MB of memory in use. ENERGY: 1792200 661.5685 1884.5019 1967.7602 110.5230 1.9599 -1068.8285 0.0000 0.0000 2787.4964 6344.9814 307.8867 3557.4850 6377.8402 306.7878 LDB: ============= START OF LOAD BALANCING ============== 7165.9 LDB: ============== END OF LOAD BALANCING =============== 7165.9 LDB: =============== DONE WITH MIGRATION ================ 7165.9 LDB: ============= START OF LOAD BALANCING ============== 7166.29 LDB: ============== END OF LOAD BALANCING =============== 7166.29 LDB: =============== DONE WITH MIGRATION ================ 7166.29 PRESSURE: 1792400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1792400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1792400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1792400 0 0 0 0 0 0 0 0 0 TIMING: 1792400 CPU: 7163.73, 0.00394979/step Wall: 7163.73, 0.00394979/step, 0.776354 hours remaining, 114.421875 MB of memory in use. ENERGY: 1792400 677.2626 1858.6308 1998.2927 113.5989 1.6040 -1045.4970 0.0000 0.0000 2730.1697 6334.0618 301.5548 3603.8921 6365.2656 305.5917 PRESSURE: 1792600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1792600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1792600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1792600 0 0 0 0 0 0 0 0 0 TIMING: 1792600 CPU: 7164.52, 0.00395078/step Wall: 7164.52, 0.00395078/step, 0.776328 hours remaining, 114.421875 MB of memory in use. ENERGY: 1792600 655.6851 1869.0236 1928.3818 119.2969 1.0387 -1043.5364 0.0000 0.0000 2789.6829 6319.5726 308.1282 3529.8897 6355.8571 305.6458 PRESSURE: 1792800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1792800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1792800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1792800 0 0 0 0 0 0 0 0 0 TIMING: 1792800 CPU: 7165.31, 0.00395108/step Wall: 7165.31, 0.00395108/step, 0.776169 hours remaining, 114.421875 MB of memory in use. ENERGY: 1792800 634.6325 1917.9507 1955.0630 118.8698 2.1467 -1023.8118 0.0000 0.0000 2724.8216 6329.6726 300.9641 3604.8509 6365.0580 305.5687 PRESSURE: 1793000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1793000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1793000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1793000 0 0 0 0 0 0 0 0 0 TIMING: 1793000 CPU: 7166.1, 0.00394994/step Wall: 7166.1, 0.00394994/step, 0.775723 hours remaining, 114.421875 MB of memory in use. ENERGY: 1793000 664.4390 1876.5962 1952.8813 118.6883 -0.2217 -1087.8096 0.0000 0.0000 2746.2648 6270.8383 303.3326 3524.5735 6303.6728 305.2085 PRESSURE: 1793200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1793200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1793200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1793200 0 0 0 0 0 0 0 0 0 TIMING: 1793200 CPU: 7166.89, 0.00395089/step Wall: 7166.89, 0.00395089/step, 0.775691 hours remaining, 114.421875 MB of memory in use. ENERGY: 1793200 700.3263 1859.8832 1972.2660 96.8312 0.0442 -1081.2421 0.0000 0.0000 2712.5533 6260.6620 299.6091 3548.1086 6293.6785 301.1083 PRESSURE: 1793400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1793400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1793400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1793400 0 0 0 0 0 0 0 0 0 TIMING: 1793400 CPU: 7167.68, 0.00394699/step Wall: 7167.68, 0.00394699/step, 0.774706 hours remaining, 114.421875 MB of memory in use. ENERGY: 1793400 675.4772 1871.3393 1953.2718 110.8320 0.7704 -1070.9292 0.0000 0.0000 2692.2988 6233.0601 297.3719 3540.7613 6265.9500 302.5805 PRESSURE: 1793600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1793600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1793600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1793600 0 0 0 0 0 0 0 0 0 TIMING: 1793600 CPU: 7168.47, 0.00395195/step Wall: 7168.47, 0.00395195/step, 0.775459 hours remaining, 114.421875 MB of memory in use. ENERGY: 1793600 670.6218 1793.4115 1960.8552 112.8883 1.2534 -1025.6167 0.0000 0.0000 2656.9820 6170.3953 293.4711 3513.4134 6201.2950 297.1431 PRESSURE: 1793800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1793800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1793800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1793800 0 0 0 0 0 0 0 0 0 TIMING: 1793800 CPU: 7169.26, 0.00395229/step Wall: 7169.26, 0.00395229/step, 0.775308 hours remaining, 114.421875 MB of memory in use. ENERGY: 1793800 628.7817 1879.7127 1936.2489 111.0883 0.3077 -1046.8684 0.0000 0.0000 2702.1399 6211.4108 298.4589 3509.2710 6241.2275 297.2071 PRESSURE: 1794000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1794000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1794000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1794000 0 0 0 0 0 0 0 0 0 TIMING: 1794000 CPU: 7170.05, 0.00395285/step Wall: 7170.05, 0.00395285/step, 0.775197 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1794000 644.6497 1897.6347 1947.8510 105.6573 1.9084 -1082.9894 0.0000 0.0000 2729.6796 6244.3911 301.5007 3514.7115 6278.0882 300.1480 PRESSURE: 1794200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1794200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1794200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1794200 0 0 0 0 0 0 0 0 0 TIMING: 1794200 CPU: 7170.84, 0.00394604/step Wall: 7170.84, 0.00394604/step, 0.773643 hours remaining, 114.421875 MB of memory in use. ENERGY: 1794200 631.8610 1890.9514 1982.7173 110.1966 2.9770 -1109.7939 0.0000 0.0000 2700.4390 6209.3485 298.2710 3508.9095 6243.2741 301.1747 PRESSURE: 1794400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1794400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1794400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1794400 0 0 0 0 0 0 0 0 0 TIMING: 1794400 CPU: 7171.63, 0.00395306/step Wall: 7171.63, 0.00395306/step, 0.774801 hours remaining, 114.421875 MB of memory in use. ENERGY: 1794400 639.1987 1853.1084 1964.0128 107.0262 2.1973 -1081.6354 0.0000 0.0000 2728.6237 6212.5316 301.3841 3483.9079 6243.7533 299.3328 PRESSURE: 1794600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1794600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1794600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1794600 0 0 0 0 0 0 0 0 0 TIMING: 1794600 CPU: 7172.42, 0.00395205/step Wall: 7172.42, 0.00395205/step, 0.774381 hours remaining, 114.421875 MB of memory in use. ENERGY: 1794600 669.9067 1804.6694 1992.7720 104.1726 2.7318 -1104.4842 0.0000 0.0000 2743.9420 6213.7103 303.0760 3469.7683 6248.6079 300.4140 PRESSURE: 1794800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1794800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1794800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1794800 0 0 0 0 0 0 0 0 0 TIMING: 1794800 CPU: 7173.21, 0.00395051/step Wall: 7173.21, 0.00395051/step, 0.773862 hours remaining, 114.421875 MB of memory in use. ENERGY: 1794800 656.0794 1801.8258 1973.6624 108.1383 1.8410 -1056.4374 0.0000 0.0000 2722.7813 6207.8907 300.7388 3485.1094 6243.1445 299.2242 PRESSURE: 1795000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1795000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1795000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1795000 0 0 0 0 0 0 0 0 0 TIMING: 1795000 CPU: 7174, 0.00395027/step Wall: 7174, 0.00395027/step, 0.773595 hours remaining, 114.421875 MB of memory in use. ENERGY: 1795000 641.1916 1817.3057 1952.7512 97.8973 1.7629 -1064.8122 0.0000 0.0000 2738.4512 6184.5477 302.4696 3446.0965 6220.9910 297.3816 PRESSURE: 1795200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1795200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1795200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1795200 0 0 0 0 0 0 0 0 0 TIMING: 1795200 CPU: 7174.79, 0.00394647/step Wall: 7174.79, 0.00394647/step, 0.77263 hours remaining, 114.421875 MB of memory in use. ENERGY: 1795200 686.3035 1848.3604 1970.6158 99.3552 0.2507 -1092.2554 0.0000 0.0000 2687.2705 6199.9007 296.8165 3512.6303 6234.9109 297.9946 PRESSURE: 1795400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1795400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1795400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1795400 0 0 0 0 0 0 0 0 0 TIMING: 1795400 CPU: 7175.58, 0.0039508/step Wall: 7175.58, 0.0039508/step, 0.77326 hours remaining, 114.421875 MB of memory in use. ENERGY: 1795400 653.2853 1828.7582 1980.3537 108.0415 2.0076 -1098.0476 0.0000 0.0000 2729.0993 6203.4981 301.4366 3474.3988 6235.4279 298.5408 PRESSURE: 1795600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1795600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1795600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1795600 0 0 0 0 0 0 0 0 0 TIMING: 1795600 CPU: 7176.37, 0.0039516/step Wall: 7176.37, 0.0039516/step, 0.773196 hours remaining, 114.421875 MB of memory in use. ENERGY: 1795600 651.2316 1803.1931 1976.3333 121.3289 2.7557 -1052.4111 0.0000 0.0000 2695.7268 6198.1585 297.7505 3502.4317 6233.7890 298.2207 PRESSURE: 1795800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1795800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1795800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1795800 0 0 0 0 0 0 0 0 0 TIMING: 1795800 CPU: 7177.16, 0.0039511/step Wall: 7177.16, 0.00395109/step, 0.772877 hours remaining, 114.421875 MB of memory in use. ENERGY: 1795800 622.1175 1864.5272 1958.2150 107.2490 1.7148 -1043.8957 0.0000 0.0000 2656.3707 6166.2984 293.4035 3509.9277 6195.0607 296.6901 PRESSURE: 1796000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1796000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1796000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1796000 0 0 0 0 0 0 0 0 0 TIMING: 1796000 CPU: 7177.95, 0.00395061/step Wall: 7177.95, 0.00395061/step, 0.772565 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1796000 690.5805 1874.7442 1984.0238 110.7014 2.5972 -1089.3216 0.0000 0.0000 2610.1219 6183.4474 288.2952 3573.3254 6217.4168 296.2827 PRESSURE: 1796200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1796200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1796200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1796200 0 0 0 0 0 0 0 0 0 TIMING: 1796200 CPU: 7178.74, 0.00394526/step Wall: 7178.74, 0.00394526/step, 0.771297 hours remaining, 114.421875 MB of memory in use. ENERGY: 1796200 685.7408 1874.7540 1971.5561 108.5278 3.4092 -1081.9432 0.0000 0.0000 2685.3221 6247.3667 296.6013 3562.0446 6278.0960 298.9751 LDB: ============= START OF LOAD BALANCING ============== 7181.7 LDB: ============== END OF LOAD BALANCING =============== 7181.7 LDB: =============== DONE WITH MIGRATION ================ 7181.7 LDB: ============= START OF LOAD BALANCING ============== 7182.1 LDB: ============== END OF LOAD BALANCING =============== 7182.1 LDB: =============== DONE WITH MIGRATION ================ 7182.1 PRESSURE: 1796400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1796400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1796400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1796400 0 0 0 0 0 0 0 0 0 TIMING: 1796400 CPU: 7179.53, 0.00397154/step Wall: 7179.53, 0.00397154/step, 0.776215 hours remaining, 114.421875 MB of memory in use. ENERGY: 1796400 659.2448 1860.1604 1949.3831 100.1433 1.8684 -1078.3223 0.0000 0.0000 2691.7098 6184.1875 297.3068 3492.4777 6215.1215 299.8098 PRESSURE: 1796600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1796600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1796600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1796600 0 0 0 0 0 0 0 0 0 TIMING: 1796600 CPU: 7180.32, 0.00395234/step Wall: 7180.32, 0.00395234/step, 0.772242 hours remaining, 114.421875 MB of memory in use. ENERGY: 1796600 642.3938 1839.6397 1971.6633 98.2056 1.7632 -1066.4001 0.0000 0.0000 2732.8690 6220.1345 301.8530 3487.2655 6253.5032 296.0648 PRESSURE: 1796800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1796800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1796800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1796800 0 0 0 0 0 0 0 0 0 TIMING: 1796800 CPU: 7181.11, 0.00395187/step Wall: 7181.11, 0.00395187/step, 0.771932 hours remaining, 114.421875 MB of memory in use. ENERGY: 1796800 688.7289 1878.8109 1974.7461 99.9497 1.4699 -1052.7117 0.0000 0.0000 2599.2941 6190.2880 287.0993 3590.9939 6222.4836 298.0374 PRESSURE: 1797000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1797000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1797000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1797000 0 0 0 0 0 0 0 0 0 TIMING: 1797000 CPU: 7181.9, 0.00395154/step Wall: 7181.9, 0.00395154/step, 0.771648 hours remaining, 114.421875 MB of memory in use. ENERGY: 1797000 651.6784 1800.8658 1982.8951 98.4813 1.8734 -1044.5285 0.0000 0.0000 2661.7716 6153.0372 294.0001 3491.2655 6184.6450 295.5415 PRESSURE: 1797200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1797200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1797200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1797200 0 0 0 0 0 0 0 0 0 TIMING: 1797200 CPU: 7182.69, 0.00394783/step Wall: 7182.69, 0.00394783/step, 0.770704 hours remaining, 114.421875 MB of memory in use. ENERGY: 1797200 637.0316 1842.3414 1978.1926 108.5857 0.9066 -1069.6404 0.0000 0.0000 2693.9097 6191.3272 297.5498 3497.4175 6226.0503 295.7390 PRESSURE: 1797400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1797400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1797400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1797400 0 0 0 0 0 0 0 0 0 TIMING: 1797400 CPU: 7183.49, 0.00395378/step Wall: 7183.49, 0.00395378/step, 0.771647 hours remaining, 114.421875 MB of memory in use. ENERGY: 1797400 681.9693 1808.5453 1986.1452 96.9729 1.2832 -1058.7941 0.0000 0.0000 2682.8020 6198.9238 296.3230 3516.1217 6230.9755 297.7309 PRESSURE: 1797600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1797600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1797600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1797600 0 0 0 0 0 0 0 0 0 TIMING: 1797600 CPU: 7184.28, 0.00395233/step Wall: 7184.28, 0.00395233/step, 0.771144 hours remaining, 114.421875 MB of memory in use. ENERGY: 1797600 621.6131 1861.0524 1949.4242 95.0477 0.8781 -1077.2606 0.0000 0.0000 2737.3439 6188.0990 302.3473 3450.7551 6223.2955 298.5016 PRESSURE: 1797800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1797800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1797800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1797800 0 0 0 0 0 0 0 0 0 TIMING: 1797800 CPU: 7185.07, 0.00396642/step Wall: 7185.07, 0.00396642/step, 0.773672 hours remaining, 114.421875 MB of memory in use. ENERGY: 1797800 684.4495 1871.1014 1962.8993 102.3354 2.2323 -1081.9886 0.0000 0.0000 2696.1584 6237.1877 297.7982 3541.0293 6267.6664 298.7852 PRESSURE: 1798000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1798000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1798000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1798000 0 0 0 0 0 0 0 0 0 TIMING: 1798000 CPU: 7185.86, 0.00395198/step Wall: 7185.86, 0.00395198/step, 0.770635 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1798000 680.8973 1842.1589 1975.2159 104.8593 3.1006 -1084.1799 0.0000 0.0000 2666.1124 6188.1645 294.4795 3522.0521 6219.4046 299.4363 PRESSURE: 1798200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1798200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1798200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1798200 0 0 0 0 0 0 0 0 0 TIMING: 1798200 CPU: 7186.65, 0.00395445/step Wall: 7186.65, 0.00395445/step, 0.770897 hours remaining, 114.421875 MB of memory in use. ENERGY: 1798200 676.1995 1833.5322 1945.1994 98.9714 2.3024 -1060.1629 0.0000 0.0000 2689.7736 6185.8156 297.0930 3496.0420 6217.0285 296.9141 PRESSURE: 1798400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1798400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1798400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1798400 0 0 0 0 0 0 0 0 0 TIMING: 1798400 CPU: 7187.44, 0.00395154/step Wall: 7187.44, 0.00395154/step, 0.770111 hours remaining, 114.421875 MB of memory in use. ENERGY: 1798400 642.0402 1802.3163 1957.0554 94.1118 2.6090 -1031.5583 0.0000 0.0000 2755.8108 6222.3853 304.3870 3466.5744 6257.3975 299.1587 PRESSURE: 1798600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1798600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1798600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1798600 0 0 0 0 0 0 0 0 0 TIMING: 1798600 CPU: 7188.23, 0.00395161/step Wall: 7188.23, 0.00395161/step, 0.769905 hours remaining, 114.421875 MB of memory in use. ENERGY: 1798600 675.2564 1826.5442 1969.8680 118.0717 2.3990 -1069.8185 0.0000 0.0000 2706.4993 6228.8201 298.9404 3522.3207 6260.5485 300.2048 PRESSURE: 1798800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1798800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1798800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1798800 0 0 0 0 0 0 0 0 0 TIMING: 1798800 CPU: 7189.02, 0.00395143/step Wall: 7189.02, 0.00395143/step, 0.769651 hours remaining, 114.421875 MB of memory in use. ENERGY: 1798800 681.5403 1828.8645 1968.7308 101.7910 1.8203 -1036.3816 0.0000 0.0000 2675.1629 6221.5282 295.4792 3546.3654 6252.8573 300.0842 PRESSURE: 1799000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1799000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1799000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1799000 0 0 0 0 0 0 0 0 0 TIMING: 1799000 CPU: 7189.81, 0.00394671/step Wall: 7189.81, 0.00394671/step, 0.768512 hours remaining, 114.421875 MB of memory in use. ENERGY: 1799000 623.2068 1907.2156 1944.3532 105.1509 2.1884 -1064.4703 0.0000 0.0000 2696.9416 6214.5864 297.8847 3517.6448 6244.9629 299.2706 PRESSURE: 1799200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1799200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1799200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1799200 0 0 0 0 0 0 0 0 0 TIMING: 1799200 CPU: 7190.6, 0.00395176/step Wall: 7190.6, 0.00395176/step, 0.769276 hours remaining, 114.421875 MB of memory in use. ENERGY: 1799200 649.6267 1843.7040 1944.9718 109.9980 1.7245 -1056.5865 0.0000 0.0000 2728.3332 6221.7718 301.3520 3493.4386 6259.0681 299.3583 PRESSURE: 1799400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1799400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1799400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1799400 0 0 0 0 0 0 0 0 0 TIMING: 1799400 CPU: 7191.39, 0.0039527/step Wall: 7191.39, 0.0039527/step, 0.76924 hours remaining, 114.421875 MB of memory in use. ENERGY: 1799400 644.5497 1878.6876 1967.9341 125.2887 -0.0876 -1068.8088 0.0000 0.0000 2706.1927 6253.7564 298.9065 3547.5637 6286.7828 299.1476 PRESSURE: 1799600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1799600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1799600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1799600 0 0 0 0 0 0 0 0 0 TIMING: 1799600 CPU: 7192.18, 0.00395207/step Wall: 7192.18, 0.00395207/step, 0.768897 hours remaining, 114.421875 MB of memory in use. ENERGY: 1799600 617.6869 1825.1253 1950.0270 111.1239 -0.4499 -1021.3989 0.0000 0.0000 2758.9915 6241.1058 304.7383 3482.1143 6278.4878 300.9180 PRESSURE: 1799800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1799800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1799800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1799800 0 0 0 0 0 0 0 0 0 TIMING: 1799800 CPU: 7192.97, 0.00395028/step Wall: 7192.97, 0.00395028/step, 0.768329 hours remaining, 114.421875 MB of memory in use. ENERGY: 1799800 667.0494 1809.8898 1954.8657 118.0864 0.6852 -1058.3519 0.0000 0.0000 2744.9200 6237.1446 303.1841 3492.2246 6270.4416 299.8006 PRESSURE: 1800000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1800000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1800000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1800000 0 0 0 0 0 0 0 0 0 TIMING: 1800000 CPU: 7193.76, 0.00394717/step Wall: 7193.76, 0.00394717/step, 0.767505 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1800000 641.0114 1893.8040 1948.0149 105.6352 1.5890 -1076.9235 0.0000 0.0000 2729.6417 6242.7726 301.4965 3513.1309 6276.9814 299.6229 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1800200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1800200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1800200 0 0 0 0 0 0 0 0 0 TIMING: 1800200 CPU: 7194.59, 0.00414063/step Wall: 7194.59, 0.00414063/step, 0.804892 hours remaining, 114.421875 MB of memory in use. ENERGY: 1800200 652.3138 1881.0389 1949.3472 96.5395 1.1729 -1062.2774 0.0000 0.0000 2717.7779 6235.9129 300.1861 3518.1350 6270.5792 298.9584 LDB: ============= START OF LOAD BALANCING ============== 7197.55 LDB: ============== END OF LOAD BALANCING =============== 7197.55 LDB: =============== DONE WITH MIGRATION ================ 7197.55 LDB: ============= START OF LOAD BALANCING ============== 7197.95 LDB: ============== END OF LOAD BALANCING =============== 7197.95 LDB: =============== DONE WITH MIGRATION ================ 7197.95 PRESSURE: 1800400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1800400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1800400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1800400 0 0 0 0 0 0 0 0 0 TIMING: 1800400 CPU: 7195.38, 0.0039575/step Wall: 7195.38, 0.0039575/step, 0.769074 hours remaining, 114.421875 MB of memory in use. ENERGY: 1800400 646.1439 1826.8981 1965.2043 109.6816 0.1665 -1041.9974 0.0000 0.0000 2743.1607 6249.2578 302.9897 3506.0970 6281.5782 300.7865 PRESSURE: 1800600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1800600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1800600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1800600 0 0 0 0 0 0 0 0 0 TIMING: 1800600 CPU: 7196.17, 0.00395195/step Wall: 7196.17, 0.00395195/step, 0.767777 hours remaining, 114.421875 MB of memory in use. ENERGY: 1800600 630.7603 1870.9176 2015.5808 113.9539 0.9610 -1081.3570 0.0000 0.0000 2670.9048 6221.7215 295.0089 3550.8166 6255.6297 299.2694 PRESSURE: 1800800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1800800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1800800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1800800 0 0 0 0 0 0 0 0 0 TIMING: 1800800 CPU: 7196.96, 0.00395199/step Wall: 7196.96, 0.00395199/step, 0.767565 hours remaining, 114.421875 MB of memory in use. ENERGY: 1800800 645.9897 1849.2622 1957.7005 88.0644 1.0695 -1061.2817 0.0000 0.0000 2702.9785 6183.7831 298.5515 3480.8046 6216.5033 299.1475 PRESSURE: 1801000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1801000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1801000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1801000 0 0 0 0 0 0 0 0 0 TIMING: 1801000 CPU: 7197.75, 0.00394696/step Wall: 7197.75, 0.00394696/step, 0.766368 hours remaining, 114.421875 MB of memory in use. ENERGY: 1801000 676.1212 1878.9441 1952.1605 115.2847 1.5291 -1054.4034 0.0000 0.0000 2650.9764 6220.6126 292.8077 3569.6361 6252.2738 297.4245 PRESSURE: 1801200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1801200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1801200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1801200 0 0 0 0 0 0 0 0 0 TIMING: 1801200 CPU: 7198.54, 0.00395152/step Wall: 7198.54, 0.00395152/step, 0.767034 hours remaining, 114.421875 MB of memory in use. ENERGY: 1801200 664.5115 1830.1969 1961.6051 109.3035 1.3221 -1062.5708 0.0000 0.0000 2687.6383 6192.0065 296.8571 3504.3682 6224.6685 298.0004 PRESSURE: 1801400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1801400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1801400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1801400 0 0 0 0 0 0 0 0 0 TIMING: 1801400 CPU: 7199.33, 0.00395146/step Wall: 7199.33, 0.00395146/step, 0.766804 hours remaining, 114.421875 MB of memory in use. ENERGY: 1801400 640.6945 1799.3948 1937.8004 116.4992 0.6907 -1043.2400 0.0000 0.0000 2766.4981 6218.3377 305.5674 3451.8396 6251.6469 297.3534 PRESSURE: 1801600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1801600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1801600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1801600 0 0 0 0 0 0 0 0 0 TIMING: 1801600 CPU: 7200.12, 0.00395156/step Wall: 7200.12, 0.00395156/step, 0.766603 hours remaining, 114.421875 MB of memory in use. ENERGY: 1801600 625.9333 1834.9451 1952.3371 101.3870 0.5612 -1045.1348 0.0000 0.0000 2679.4256 6149.4544 295.9500 3470.0288 6184.5718 297.5314 PRESSURE: 1801800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1801800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1801800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1801800 0 0 0 0 0 0 0 0 0 TIMING: 1801800 CPU: 7200.91, 0.00394406/step Wall: 7200.91, 0.00394406/step, 0.764928 hours remaining, 114.421875 MB of memory in use. ENERGY: 1801800 635.3852 1848.2886 1959.1699 119.4846 1.8647 -1081.1305 0.0000 0.0000 2645.8794 6128.9419 292.2447 3483.0625 6163.5837 295.3832 PRESSURE: 1802000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1802000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1802000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1802000 0 0 0 0 0 0 0 0 0 TIMING: 1802000 CPU: 7201.7, 0.00394813/step Wall: 7201.7, 0.00394814/step, 0.7655 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1802000 656.3624 1834.9544 1959.7382 107.2516 3.2665 -1093.9387 0.0000 0.0000 2660.6283 6128.2628 293.8738 3467.6344 6163.3422 294.6123 PRESSURE: 1802200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1802200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1802200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1802200 0 0 0 0 0 0 0 0 0 TIMING: 1802200 CPU: 7202.49, 0.0039498/step Wall: 7202.49, 0.0039498/step, 0.765604 hours remaining, 114.421875 MB of memory in use. ENERGY: 1802200 650.2022 1795.0282 1939.3493 119.8523 2.3551 -1082.4631 0.0000 0.0000 2714.0236 6138.3475 299.7715 3424.3239 6172.8423 293.8871 PRESSURE: 1802400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1802400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1802400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1802400 0 0 0 0 0 0 0 0 0 TIMING: 1802400 CPU: 7203.28, 0.00394962/step Wall: 7203.28, 0.00394962/step, 0.765349 hours remaining, 114.421875 MB of memory in use. ENERGY: 1802400 657.6501 1839.8126 1921.7292 111.1209 3.1225 -1064.9167 0.0000 0.0000 2706.1361 6174.6547 298.9003 3468.5186 6208.5957 296.8946 PRESSURE: 1802600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1802600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1802600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1802600 0 0 0 0 0 0 0 0 0 TIMING: 1802600 CPU: 7204.07, 0.00394972/step Wall: 7204.07, 0.00394972/step, 0.765148 hours remaining, 114.421875 MB of memory in use. ENERGY: 1802600 649.2345 1819.9673 1944.4893 99.3323 2.3888 -1074.1852 0.0000 0.0000 2742.6721 6183.8991 302.9358 3441.2270 6221.0833 297.7247 PRESSURE: 1802800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1802800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1802800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1802800 0 0 0 0 0 0 0 0 0 TIMING: 1802800 CPU: 7204.86, 0.00394295/step Wall: 7204.86, 0.00394295/step, 0.763619 hours remaining, 114.421875 MB of memory in use. ENERGY: 1802800 641.7728 1847.9825 1967.2234 110.5741 2.5540 -1041.6562 0.0000 0.0000 2658.6609 6187.1115 293.6565 3528.4506 6218.9203 296.1314 PRESSURE: 1803000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1803000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1803000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1803000 0 0 0 0 0 0 0 0 0 TIMING: 1803000 CPU: 7205.65, 0.00394931/step Wall: 7205.65, 0.00394931/step, 0.76463 hours remaining, 114.421875 MB of memory in use. ENERGY: 1803000 653.4302 1849.0208 1982.0263 101.6432 3.2417 -1084.4033 0.0000 0.0000 2678.4043 6183.3631 295.8372 3504.9589 6215.7911 298.2411 PRESSURE: 1803200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1803200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1803200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1803200 0 0 0 0 0 0 0 0 0 TIMING: 1803200 CPU: 7206.44, 0.00394879/step Wall: 7206.44, 0.00394879/step, 0.76431 hours remaining, 114.421875 MB of memory in use. ENERGY: 1803200 633.8945 1854.8483 1937.5212 98.3135 3.7704 -1100.8602 0.0000 0.0000 2729.6031 6157.0907 301.4923 3427.4877 6191.2659 296.3993 PRESSURE: 1803400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1803400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1803400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1803400 0 0 0 0 0 0 0 0 0 TIMING: 1803400 CPU: 7207.23, 0.00395062/step Wall: 7207.23, 0.00395062/step, 0.764446 hours remaining, 114.421875 MB of memory in use. ENERGY: 1803400 665.5441 1797.9951 1966.1197 100.2774 2.1293 -1075.2642 0.0000 0.0000 2760.2878 6217.0892 304.8815 3456.8015 6250.1192 298.3082 PRESSURE: 1803600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1803600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1803600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1803600 0 0 0 0 0 0 0 0 0 TIMING: 1803600 CPU: 7208.02, 0.00394915/step Wall: 7208.02, 0.00394915/step, 0.76394 hours remaining, 114.421875 MB of memory in use. ENERGY: 1803600 634.4947 1827.7706 1994.3146 111.0955 2.3104 -1054.6402 0.0000 0.0000 2712.5606 6227.9062 299.6099 3515.3456 6262.0549 301.8492 PRESSURE: 1803800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1803800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1803800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1803800 0 0 0 0 0 0 0 0 0 TIMING: 1803800 CPU: 7208.81, 0.00394325/step Wall: 7208.81, 0.00394325/step, 0.762581 hours remaining, 114.421875 MB of memory in use. ENERGY: 1803800 657.5979 1815.5785 1998.3792 108.3826 2.6436 -1053.6391 0.0000 0.0000 2684.9099 6213.8527 296.5558 3528.9428 6246.0918 297.9088 PRESSURE: 1804000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1804000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1804000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1804000 0 0 0 0 0 0 0 0 0 TIMING: 1804000 CPU: 7209.6, 0.00395009/step Wall: 7209.6, 0.00395009/step, 0.763684 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1804000 636.4647 1849.8240 1963.8049 101.0290 3.0384 -1054.0344 0.0000 0.0000 2731.8608 6231.9873 301.7416 3500.1265 6265.6381 298.8480 PRESSURE: 1804200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1804200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1804200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1804200 0 0 0 0 0 0 0 0 0 TIMING: 1804200 CPU: 7210.39, 0.0039501/step Wall: 7210.39, 0.0039501/step, 0.763467 hours remaining, 114.421875 MB of memory in use. ENERGY: 1804200 649.9984 1882.0227 1964.4556 110.3613 2.8251 -1078.7828 0.0000 0.0000 2723.4264 6254.3065 300.8100 3530.8801 6286.2107 300.7048 LDB: ============= START OF LOAD BALANCING ============== 7213.35 LDB: ============== END OF LOAD BALANCING =============== 7213.35 LDB: =============== DONE WITH MIGRATION ================ 7213.35 LDB: ============= START OF LOAD BALANCING ============== 7213.74 LDB: ============== END OF LOAD BALANCING =============== 7213.74 LDB: =============== DONE WITH MIGRATION ================ 7213.74 PRESSURE: 1804400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1804400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1804400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1804400 0 0 0 0 0 0 0 0 0 TIMING: 1804400 CPU: 7211.18, 0.00395605/step Wall: 7211.18, 0.00395605/step, 0.764398 hours remaining, 114.421875 MB of memory in use. ENERGY: 1804400 633.9983 1825.5640 1967.5601 116.8031 2.7715 -1055.8245 0.0000 0.0000 2758.1577 6249.0301 304.6462 3490.8724 6284.1407 301.8439 PRESSURE: 1804600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1804600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1804600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1804600 0 0 0 0 0 0 0 0 0 TIMING: 1804600 CPU: 7211.97, 0.00394889/step Wall: 7211.97, 0.00394889/step, 0.762794 hours remaining, 114.421875 MB of memory in use. ENERGY: 1804600 654.0811 1872.9658 1998.3251 108.6364 2.2081 -1065.4322 0.0000 0.0000 2717.6810 6288.4652 300.1754 3570.7842 6320.4368 302.1041 PRESSURE: 1804800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1804800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1804800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1804800 0 0 0 0 0 0 0 0 0 TIMING: 1804800 CPU: 7212.76, 0.00394354/step Wall: 7212.76, 0.00394354/step, 0.761542 hours remaining, 114.421875 MB of memory in use. ENERGY: 1804800 627.5950 1856.7320 1981.9106 119.7669 1.4490 -1054.3195 0.0000 0.0000 2727.9439 6261.0780 301.3090 3533.1341 6292.8573 302.7959 PRESSURE: 1805000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1805000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1805000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1805000 0 0 0 0 0 0 0 0 0 TIMING: 1805000 CPU: 7213.55, 0.0039493/step Wall: 7213.55, 0.0039493/step, 0.762434 hours remaining, 114.421875 MB of memory in use. ENERGY: 1805000 645.2605 1834.1830 1977.6122 116.1191 2.1533 -1042.8680 0.0000 0.0000 2714.0855 6246.5458 299.7783 3532.4603 6282.0795 302.3278 PRESSURE: 1805200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1805200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1805200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1805200 0 0 0 0 0 0 0 0 0 TIMING: 1805200 CPU: 7214.34, 0.00394814/step Wall: 7214.34, 0.00394814/step, 0.761992 hours remaining, 114.421875 MB of memory in use. ENERGY: 1805200 644.0594 1815.8430 2010.2487 104.9583 1.9850 -1097.9690 0.0000 0.0000 2770.3312 6249.4566 305.9908 3479.1254 6287.0195 301.2910 PRESSURE: 1805400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1805400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1805400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1805400 0 0 0 0 0 0 0 0 0 TIMING: 1805400 CPU: 7215.13, 0.00395042/step Wall: 7215.13, 0.00395042/step, 0.762212 hours remaining, 114.421875 MB of memory in use. ENERGY: 1805400 670.7414 1838.7799 1945.2807 116.0156 1.9818 -1070.5135 0.0000 0.0000 2721.8295 6224.1154 300.6336 3502.2859 6256.9856 300.2857 PRESSURE: 1805600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1805600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1805600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1805600 0 0 0 0 0 0 0 0 0 TIMING: 1805600 CPU: 7215.91, 0.00394174/step Wall: 7215.91, 0.00394174/step, 0.760319 hours remaining, 114.421875 MB of memory in use. ENERGY: 1805600 660.0721 1886.5175 1935.5079 109.0331 3.2540 -1067.8786 0.0000 0.0000 2726.4323 6252.9383 301.1420 3526.5060 6288.9712 301.2388 PRESSURE: 1805800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1805800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1805800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1805800 0 0 0 0 0 0 0 0 0 TIMING: 1805800 CPU: 7216.7, 0.00394852/step Wall: 7216.7, 0.00394852/step, 0.761405 hours remaining, 114.421875 MB of memory in use. ENERGY: 1805800 656.1021 1842.1658 1975.0445 119.0282 3.6839 -1092.8461 0.0000 0.0000 2798.7280 6301.9064 309.1273 3503.1784 6337.9850 305.1433 PRESSURE: 1806000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1806000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1806000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1806000 0 0 0 0 0 0 0 0 0 TIMING: 1806000 CPU: 7217.49, 0.00394987/step Wall: 7217.49, 0.00394987/step, 0.761448 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1806000 708.4331 1858.1486 1971.2841 111.5194 1.6676 -1085.5479 0.0000 0.0000 2750.5513 6316.0562 303.8061 3565.5049 6350.4425 303.5346 PRESSURE: 1806200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1806200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1806200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1806200 0 0 0 0 0 0 0 0 0 TIMING: 1806200 CPU: 7218.28, 0.00394868/step Wall: 7218.28, 0.00394868/step, 0.760997 hours remaining, 114.421875 MB of memory in use. ENERGY: 1806200 658.7488 1858.4664 1966.3693 100.9211 3.0847 -1091.9185 0.0000 0.0000 2823.4607 6319.1325 311.8591 3495.6718 6356.0281 303.6094 PRESSURE: 1806400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1806400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1806400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1806400 0 0 0 0 0 0 0 0 0 TIMING: 1806400 CPU: 7219.08, 0.00396641/step Wall: 7219.08, 0.00396641/step, 0.764196 hours remaining, 114.421875 MB of memory in use. ENERGY: 1806400 684.3721 1915.1359 1955.5354 114.2774 2.8607 -1076.6589 0.0000 0.0000 2771.0791 6366.6017 306.0734 3595.5226 6396.9653 307.6015 PRESSURE: 1806600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1806600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1806600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1806600 0 0 0 0 0 0 0 0 0 TIMING: 1806600 CPU: 7219.87, 0.00394373/step Wall: 7219.87, 0.00394373/step, 0.759606 hours remaining, 114.421875 MB of memory in use. ENERGY: 1806600 678.8717 1891.8430 1968.7051 103.0951 3.0344 -1070.1929 0.0000 0.0000 2766.0611 6341.4175 305.5192 3575.3564 6375.6635 307.4660 PRESSURE: 1806800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1806800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1806800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1806800 0 0 0 0 0 0 0 0 0 TIMING: 1806800 CPU: 7220.66, 0.00394756/step Wall: 7220.66, 0.00394756/step, 0.760125 hours remaining, 114.421875 MB of memory in use. ENERGY: 1806800 643.8395 1874.1602 1963.5723 103.7497 3.9684 -1079.5521 0.0000 0.0000 2734.3327 6244.0707 302.0147 3509.7380 6277.5730 303.9049 PRESSURE: 1807000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1807000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1807000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1807000 0 0 0 0 0 0 0 0 0 TIMING: 1807000 CPU: 7221.45, 0.00394951/step Wall: 7221.45, 0.00394951/step, 0.760281 hours remaining, 114.421875 MB of memory in use. ENERGY: 1807000 639.5990 1849.6331 1954.3802 121.1175 3.0719 -1053.2214 0.0000 0.0000 2672.5617 6187.1420 295.1919 3514.5803 6218.8117 298.8888 PRESSURE: 1807200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1807200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1807200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1807200 0 0 0 0 0 0 0 0 0 TIMING: 1807200 CPU: 7222.24, 0.00394847/step Wall: 7222.24, 0.00394847/step, 0.759861 hours remaining, 114.421875 MB of memory in use. ENERGY: 1807200 667.9606 1828.4917 1955.8780 107.0751 2.1580 -1074.6303 0.0000 0.0000 2657.6462 6144.5794 293.5444 3486.9331 6176.3339 296.1294 PRESSURE: 1807400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1807400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1807400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1807400 0 0 0 0 0 0 0 0 0 TIMING: 1807400 CPU: 7223.02, 0.00394858/step Wall: 7223.02, 0.00394858/step, 0.759663 hours remaining, 114.421875 MB of memory in use. ENERGY: 1807400 663.7348 1823.9703 1940.1349 115.0773 2.9511 -1095.4442 0.0000 0.0000 2688.0239 6138.4481 296.8997 3450.4242 6171.2474 296.3774 PRESSURE: 1807600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1807600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1807600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1807600 0 0 0 0 0 0 0 0 0 TIMING: 1807600 CPU: 7223.81, 0.00394421/step Wall: 7223.81, 0.00394421/step, 0.758602 hours remaining, 114.421875 MB of memory in use. ENERGY: 1807600 647.3370 1903.9833 1961.2316 100.4253 3.9313 -1108.7003 0.0000 0.0000 2673.7835 6181.9918 295.3268 3508.2083 6215.4253 296.8200 PRESSURE: 1807800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1807800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1807800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1807800 0 0 0 0 0 0 0 0 0 TIMING: 1807800 CPU: 7224.6, 0.00394738/step Wall: 7224.6, 0.00394738/step, 0.758993 hours remaining, 114.421875 MB of memory in use. ENERGY: 1807800 623.1968 1798.3749 1967.5841 109.0223 2.2848 -1094.4356 0.0000 0.0000 2691.0918 6097.1191 297.2386 3406.0273 6126.9499 295.8110 PRESSURE: 1808000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1808000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1808000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1808000 0 0 0 0 0 0 0 0 0 TIMING: 1808000 CPU: 7225.39, 0.0039475/step Wall: 7225.39, 0.0039475/step, 0.758797 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1808000 639.3383 1820.3783 1973.3922 96.7597 3.3669 -1121.9386 0.0000 0.0000 2623.6360 6034.9327 289.7879 3411.2967 6066.2149 292.0024 PRESSURE: 1808200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1808200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1808200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1808200 0 0 0 0 0 0 0 0 0 TIMING: 1808200 CPU: 7226.18, 0.00394712/step Wall: 7226.18, 0.00394711/step, 0.758504 hours remaining, 114.421875 MB of memory in use. ENERGY: 1808200 652.8585 1769.8746 1944.4768 104.4755 3.3586 -1050.7727 0.0000 0.0000 2687.3513 6111.6226 296.8254 3424.2713 6144.6111 292.3388 LDB: ============= START OF LOAD BALANCING ============== 7229.14 LDB: ============== END OF LOAD BALANCING =============== 7229.14 LDB: =============== DONE WITH MIGRATION ================ 7229.14 LDB: ============= START OF LOAD BALANCING ============== 7229.54 LDB: ============== END OF LOAD BALANCING =============== 7229.54 LDB: =============== DONE WITH MIGRATION ================ 7229.54 PRESSURE: 1808400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1808400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1808400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1808400 0 0 0 0 0 0 0 0 0 TIMING: 1808400 CPU: 7226.97, 0.00394701/step Wall: 7226.97, 0.00394702/step, 0.758266 hours remaining, 114.421875 MB of memory in use. ENERGY: 1808400 645.5331 1756.7451 2009.5283 121.8279 3.9016 -1078.4057 0.0000 0.0000 2665.3931 6124.5235 294.4001 3459.1305 6157.0837 294.3988 PRESSURE: 1808600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1808600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1808600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1808600 0 0 0 0 0 0 0 0 0 TIMING: 1808600 CPU: 7227.76, 0.00394706/step Wall: 7227.76, 0.00394706/step, 0.758055 hours remaining, 114.421875 MB of memory in use. ENERGY: 1808600 651.1678 1819.6228 1938.6063 115.4601 4.0566 -1088.6679 0.0000 0.0000 2719.0664 6159.3120 300.3285 3440.2456 6193.3867 294.6808 PRESSURE: 1808800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1808800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1808800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1808800 0 0 0 0 0 0 0 0 0 TIMING: 1808800 CPU: 7228.55, 0.00394722/step Wall: 7228.55, 0.00394721/step, 0.757864 hours remaining, 114.421875 MB of memory in use. ENERGY: 1808800 672.9954 1823.3673 1995.6622 111.6615 2.9156 -1108.9591 0.0000 0.0000 2656.3973 6154.0402 293.4065 3497.6429 6183.6521 297.1648 PRESSURE: 1809000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1809000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1809000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1809000 0 0 0 0 0 0 0 0 0 TIMING: 1809000 CPU: 7229.34, 0.00394648/step Wall: 7229.34, 0.00394649/step, 0.757507 hours remaining, 114.421875 MB of memory in use. ENERGY: 1809000 667.0285 1807.6093 1982.6247 96.4820 2.7263 -1076.1831 0.0000 0.0000 2677.6160 6157.9036 295.7501 3480.2876 6190.4776 293.8839 PRESSURE: 1809200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1809200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1809200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1809200 0 0 0 0 0 0 0 0 0 TIMING: 1809200 CPU: 7230.13, 0.00394684/step Wall: 7230.13, 0.00394684/step, 0.757354 hours remaining, 114.421875 MB of memory in use. ENERGY: 1809200 653.1255 1858.8646 1973.1629 98.1707 3.7630 -1078.2634 0.0000 0.0000 2642.1140 6150.9373 291.8288 3508.8234 6181.5903 296.1459 PRESSURE: 1809400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1809400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1809400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1809400 0 0 0 0 0 0 0 0 0 TIMING: 1809400 CPU: 7230.92, 0.00394311/step Wall: 7230.92, 0.00394311/step, 0.756421 hours remaining, 114.421875 MB of memory in use. ENERGY: 1809400 643.0465 1818.4415 1952.8257 107.8437 3.9243 -1100.7123 0.0000 0.0000 2650.4598 6075.8291 292.7507 3425.3693 6110.2318 293.2941 PRESSURE: 1809600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1809600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1809600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1809600 0 0 0 0 0 0 0 0 0 TIMING: 1809600 CPU: 7231.71, 0.0039493/step Wall: 7231.71, 0.0039493/step, 0.757388 hours remaining, 114.421875 MB of memory in use. ENERGY: 1809600 649.5118 1796.7264 1970.3561 112.1477 4.0516 -1045.9288 0.0000 0.0000 2666.0897 6152.9546 294.4770 3486.8650 6184.5841 294.9332 PRESSURE: 1809800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1809800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1809800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1809800 0 0 0 0 0 0 0 0 0 TIMING: 1809800 CPU: 7232.5, 0.00394768/step Wall: 7232.5, 0.00394768/step, 0.756858 hours remaining, 114.421875 MB of memory in use. ENERGY: 1809800 647.9355 1848.9862 1972.9547 117.2347 1.8031 -1051.2455 0.0000 0.0000 2612.3074 6149.9761 288.5366 3537.6687 6180.3773 295.6118 PRESSURE: 1810000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1810000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1810000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1810000 0 0 0 0 0 0 0 0 0 TIMING: 1810000 CPU: 7233.29, 0.00394933/step Wall: 7233.29, 0.00394933/step, 0.756955 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1810000 625.7261 1799.6160 1949.7107 101.2319 3.3579 -1045.7780 0.0000 0.0000 2750.2787 6184.1433 303.7759 3433.8646 6219.2197 296.2618 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1810000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1810000 WRITING COORDINATES TO RESTART FILE AT STEP 1810000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1810000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1810200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1810200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1810200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1810200 0 0 0 0 0 0 0 0 0 TIMING: 1810200 CPU: 7234.13, 0.00422506/step Wall: 7234.13, 0.00422506/step, 0.809568 hours remaining, 114.421875 MB of memory in use. ENERGY: 1810200 669.4773 1859.3204 1941.1740 116.3790 2.4904 -1089.2258 0.0000 0.0000 2607.9004 6107.5157 288.0499 3499.6153 6137.3058 294.5163 PRESSURE: 1810400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1810400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1810400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1810400 0 0 0 0 0 0 0 0 0 TIMING: 1810400 CPU: 7234.92, 0.00394433/step Wall: 7234.92, 0.00394433/step, 0.755559 hours remaining, 114.421875 MB of memory in use. ENERGY: 1810400 648.0345 1784.8590 1953.1553 107.6357 3.5648 -1064.3656 0.0000 0.0000 2688.2182 6121.1019 296.9212 3432.8837 6154.6079 295.0912 PRESSURE: 1810600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1810600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1810600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1810600 0 0 0 0 0 0 0 0 0 TIMING: 1810600 CPU: 7235.71, 0.00394782/step Wall: 7235.71, 0.00394782/step, 0.756008 hours remaining, 114.421875 MB of memory in use. ENERGY: 1810600 635.5992 1813.5145 1974.0136 96.4270 3.5933 -1084.4761 0.0000 0.0000 2735.4179 6174.0894 302.1345 3438.6715 6207.9990 296.5544 PRESSURE: 1810800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1810800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1810800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1810800 0 0 0 0 0 0 0 0 0 TIMING: 1810800 CPU: 7236.5, 0.00394763/step Wall: 7236.5, 0.00394763/step, 0.755752 hours remaining, 114.421875 MB of memory in use. ENERGY: 1810800 639.4786 1852.8613 1973.3684 112.3309 2.2637 -1070.5686 0.0000 0.0000 2700.4294 6210.1637 298.2700 3509.7343 6243.5770 298.4018 PRESSURE: 1811000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1811000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1811000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1811000 0 0 0 0 0 0 0 0 0 TIMING: 1811000 CPU: 7237.29, 0.00394688/step Wall: 7237.29, 0.00394688/step, 0.755388 hours remaining, 114.421875 MB of memory in use. ENERGY: 1811000 645.2891 1821.5517 1961.5795 110.2985 0.8455 -1041.0342 0.0000 0.0000 2700.7317 6199.2617 298.3033 3498.5300 6232.4862 298.3973 PRESSURE: 1811200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1811200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1811200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1811200 0 0 0 0 0 0 0 0 0 TIMING: 1811200 CPU: 7238.08, 0.00394477/step Wall: 7238.08, 0.00394477/step, 0.754766 hours remaining, 114.421875 MB of memory in use. ENERGY: 1811200 578.3554 1883.0518 1953.9497 105.8379 2.2965 -1048.6583 0.0000 0.0000 2709.0815 6183.9145 299.2256 3474.8330 6217.8973 298.6624 PRESSURE: 1811400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1811400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1811400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1811400 0 0 0 0 0 0 0 0 0 TIMING: 1811400 CPU: 7238.87, 0.00394156/step Wall: 7238.87, 0.00394156/step, 0.753932 hours remaining, 114.421875 MB of memory in use. ENERGY: 1811400 653.4606 1851.0337 1966.2842 110.5462 2.2672 -1078.9324 0.0000 0.0000 2696.1980 6200.8577 297.8026 3504.6596 6232.7561 297.1138 PRESSURE: 1811600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1811600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1811600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1811600 0 0 0 0 0 0 0 0 0 TIMING: 1811600 CPU: 7239.66, 0.0039468/step Wall: 7239.66, 0.0039468/step, 0.754716 hours remaining, 114.421875 MB of memory in use. ENERGY: 1811600 672.5708 1833.5979 1956.7006 102.4082 2.3654 -1053.6369 0.0000 0.0000 2727.0142 6241.0202 301.2063 3514.0060 6273.1331 299.4360 PRESSURE: 1811800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1811800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1811800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1811800 0 0 0 0 0 0 0 0 0 TIMING: 1811800 CPU: 7240.45, 0.00394598/step Wall: 7240.45, 0.00394597/step, 0.754338 hours remaining, 114.421875 MB of memory in use. ENERGY: 1811800 677.4310 1843.5437 1960.1129 123.5017 2.8032 -1078.0399 0.0000 0.0000 2732.7569 6262.1094 301.8406 3529.3526 6294.6509 301.4201 PRESSURE: 1812000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1812000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1812000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1812000 0 0 0 0 0 0 0 0 0 TIMING: 1812000 CPU: 7241.23, 0.00394884/step Wall: 7241.23, 0.00394884/step, 0.754668 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1812000 678.4950 1872.0018 1959.0434 114.9798 3.3804 -1071.9765 0.0000 0.0000 2708.9446 6264.8685 299.2105 3555.9239 6297.9102 301.8363 PRESSURE: 1812200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1812200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1812200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1812200 0 0 0 0 0 0 0 0 0 TIMING: 1812200 CPU: 7242.02, 0.00394848/step Wall: 7242.02, 0.00394848/step, 0.754378 hours remaining, 114.421875 MB of memory in use. ENERGY: 1812200 654.2864 1859.8909 1938.4344 119.3479 1.8661 -1054.0329 0.0000 0.0000 2692.7405 6212.5332 297.4207 3519.7927 6243.3423 300.1519 LDB: ============= START OF LOAD BALANCING ============== 7244.98 LDB: ============== END OF LOAD BALANCING =============== 7244.98 LDB: =============== DONE WITH MIGRATION ================ 7244.98 LDB: ============= START OF LOAD BALANCING ============== 7245.38 LDB: ============== END OF LOAD BALANCING =============== 7245.38 LDB: =============== DONE WITH MIGRATION ================ 7245.38 PRESSURE: 1812400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1812400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1812400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1812400 0 0 0 0 0 0 0 0 0 TIMING: 1812400 CPU: 7242.81, 0.00394887/step Wall: 7242.81, 0.00394887/step, 0.754234 hours remaining, 114.421875 MB of memory in use. ENERGY: 1812400 673.6722 1847.9900 1981.8093 110.1647 2.3119 -1064.8384 0.0000 0.0000 2665.4592 6216.5689 294.4074 3551.1096 6250.2262 299.2195 PRESSURE: 1812600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1812600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1812600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1812600 0 0 0 0 0 0 0 0 0 TIMING: 1812600 CPU: 7243.6, 0.00394813/step Wall: 7243.6, 0.00394813/step, 0.753874 hours remaining, 114.421875 MB of memory in use. ENERGY: 1812600 681.4570 1761.4249 1946.8047 110.3786 2.9665 -1066.6840 0.0000 0.0000 2717.7545 6154.1021 300.1836 3436.3476 6189.1452 297.1644 PRESSURE: 1812800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1812800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1812800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1812800 0 0 0 0 0 0 0 0 0 TIMING: 1812800 CPU: 7244.39, 0.00394796/step Wall: 7244.39, 0.00394796/step, 0.753623 hours remaining, 114.421875 MB of memory in use. ENERGY: 1812800 654.1964 1813.9775 1983.0617 115.0579 3.7870 -1089.9193 0.0000 0.0000 2689.8772 6170.0385 297.1044 3480.1612 6201.2206 295.1596 PRESSURE: 1813000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1813000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1813000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1813000 0 0 0 0 0 0 0 0 0 TIMING: 1813000 CPU: 7245.19, 0.00396315/step Wall: 7245.19, 0.00396315/step, 0.756301 hours remaining, 114.421875 MB of memory in use. ENERGY: 1813000 666.3502 1809.4657 1966.6595 113.4225 2.7193 -1068.2047 0.0000 0.0000 2726.0629 6216.4754 301.1012 3490.4125 6249.6561 297.2354 PRESSURE: 1813200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1813200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1813200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1813200 0 0 0 0 0 0 0 0 0 TIMING: 1813200 CPU: 7245.98, 0.00394658/step Wall: 7245.98, 0.00394658/step, 0.75292 hours remaining, 114.421875 MB of memory in use. ENERGY: 1813200 659.6281 1810.8956 1927.2370 95.8967 3.7081 -1030.5709 0.0000 0.0000 2689.4686 6156.2631 297.0593 3466.7945 6189.2793 297.6952 PRESSURE: 1813400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1813400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1813400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1813400 0 0 0 0 0 0 0 0 0 TIMING: 1813400 CPU: 7246.77, 0.00394819/step Wall: 7246.77, 0.00394819/step, 0.753009 hours remaining, 114.421875 MB of memory in use. ENERGY: 1813400 635.4113 1848.3805 1930.1802 113.8364 3.4943 -1039.2811 0.0000 0.0000 2697.2218 6189.2435 297.9157 3492.0217 6221.3956 296.8600 PRESSURE: 1813600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1813600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1813600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1813600 0 0 0 0 0 0 0 0 0 TIMING: 1813600 CPU: 7247.55, 0.00394788/step Wall: 7247.55, 0.00394788/step, 0.752729 hours remaining, 114.421875 MB of memory in use. ENERGY: 1813600 658.0991 1841.8671 1932.9494 99.2936 2.5645 -1037.1610 0.0000 0.0000 2630.6709 6128.2836 290.5649 3497.6127 6157.0136 296.5439 PRESSURE: 1813800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1813800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1813800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1813800 0 0 0 0 0 0 0 0 0 TIMING: 1813800 CPU: 7248.34, 0.00394758/step Wall: 7248.34, 0.00394758/step, 0.752453 hours remaining, 114.421875 MB of memory in use. ENERGY: 1813800 655.8123 1839.3981 1933.4427 99.6282 4.2003 -1076.2636 0.0000 0.0000 2752.2295 6208.4475 303.9914 3456.2180 6244.2063 296.4449 PRESSURE: 1814000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1814000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1814000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1814000 0 0 0 0 0 0 0 0 0 TIMING: 1814000 CPU: 7249.13, 0.00394794/step Wall: 7249.13, 0.00394794/step, 0.752301 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1814000 667.5431 1843.9237 1959.8439 104.6095 1.9115 -1052.6166 0.0000 0.0000 2630.9971 6156.2123 290.6010 3525.2152 6188.4381 296.2343 PRESSURE: 1814200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1814200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1814200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1814200 0 0 0 0 0 0 0 0 0 TIMING: 1814200 CPU: 7249.92, 0.00394387/step Wall: 7249.92, 0.00394387/step, 0.751306 hours remaining, 114.421875 MB of memory in use. ENERGY: 1814200 642.2510 1775.2060 1936.0721 110.1552 1.6022 -1028.0830 0.0000 0.0000 2691.8831 6129.0864 297.3260 3437.2034 6162.4776 293.8661 PRESSURE: 1814400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1814400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1814400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1814400 0 0 0 0 0 0 0 0 0 TIMING: 1814400 CPU: 7250.71, 0.00394799/step Wall: 7250.71, 0.00394799/step, 0.751874 hours remaining, 114.421875 MB of memory in use. ENERGY: 1814400 664.2109 1859.3409 1938.5903 84.9607 2.0937 -1060.7144 0.0000 0.0000 2681.8083 6170.2905 296.2132 3488.4822 6204.5312 295.6561 PRESSURE: 1814600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1814600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1814600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1814600 0 0 0 0 0 0 0 0 0 TIMING: 1814600 CPU: 7251.5, 0.00394771/step Wall: 7251.5, 0.00394771/step, 0.7516 hours remaining, 114.421875 MB of memory in use. ENERGY: 1814600 689.4778 1820.5049 1983.7781 103.2220 2.7209 -1070.8654 0.0000 0.0000 2692.0617 6220.9001 297.3457 3528.8384 6252.7423 297.9106 PRESSURE: 1814800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1814800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1814800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1814800 0 0 0 0 0 0 0 0 0 TIMING: 1814800 CPU: 7252.29, 0.00394709/step Wall: 7252.29, 0.00394709/step, 0.751264 hours remaining, 114.421875 MB of memory in use. ENERGY: 1814800 640.2067 1854.2858 1974.3683 102.5988 0.7632 -1035.5775 0.0000 0.0000 2738.0375 6274.6829 302.4239 3536.6453 6308.7791 299.0732 PRESSURE: 1815000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1815000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1815000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1815000 0 0 0 0 0 0 0 0 0 TIMING: 1815000 CPU: 7253.08, 0.00394859/step Wall: 7253.08, 0.00394859/step, 0.75133 hours remaining, 114.421875 MB of memory in use. ENERGY: 1815000 668.9109 1842.8709 2008.1670 107.3475 0.6495 -1016.6976 0.0000 0.0000 2721.7119 6332.9601 300.6207 3611.2482 6365.4953 301.6639 PRESSURE: 1815200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1815200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1815200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1815200 0 0 0 0 0 0 0 0 0 TIMING: 1815200 CPU: 7253.87, 0.00394393/step Wall: 7253.87, 0.00394393/step, 0.750223 hours remaining, 114.421875 MB of memory in use. ENERGY: 1815200 653.1221 1846.9167 1982.9269 108.4828 2.3296 -1035.4677 0.0000 0.0000 2742.2319 6300.5423 302.8872 3558.3104 6330.6482 302.6512 PRESSURE: 1815400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1815400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1815400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1815400 0 0 0 0 0 0 0 0 0 TIMING: 1815400 CPU: 7254.66, 0.00394696/step Wall: 7254.66, 0.00394696/step, 0.750581 hours remaining, 114.421875 MB of memory in use. ENERGY: 1815400 668.7908 1838.3241 2009.9615 104.5818 1.9530 -1080.7569 0.0000 0.0000 2773.2297 6316.0840 306.3109 3542.8543 6350.8908 303.5843 PRESSURE: 1815600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1815600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1815600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1815600 0 0 0 0 0 0 0 0 0 TIMING: 1815600 CPU: 7255.45, 0.0039489/step Wall: 7255.45, 0.0039489/step, 0.75073 hours remaining, 114.421875 MB of memory in use. ENERGY: 1815600 618.5390 1795.3443 1979.0548 99.3048 2.2330 -1044.2832 0.0000 0.0000 2750.7698 6200.9623 303.8302 3450.1925 6233.4039 300.9697 PRESSURE: 1815800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1815800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1815800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1815800 0 0 0 0 0 0 0 0 0 TIMING: 1815800 CPU: 7256.24, 0.00394858/step Wall: 7256.24, 0.00394858/step, 0.75045 hours remaining, 114.421875 MB of memory in use. ENERGY: 1815800 652.2900 1821.3901 1981.1600 118.2260 4.2360 -1064.9105 0.0000 0.0000 2703.1134 6215.5051 298.5664 3512.3917 6247.6123 296.7401 PRESSURE: 1816000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1816000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1816000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1816000 0 0 0 0 0 0 0 0 0 TIMING: 1816000 CPU: 7257.03, 0.00394526/step Wall: 7257.03, 0.00394526/step, 0.7496 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1816000 649.3848 1826.8927 1967.8923 124.5348 2.5278 -1062.3507 0.0000 0.0000 2725.8075 6234.6894 301.0730 3508.8818 6267.2580 298.9605 PRESSURE: 1816200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1816200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1816200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1816200 0 0 0 0 0 0 0 0 0 TIMING: 1816200 CPU: 7257.82, 0.00394702/step Wall: 7257.82, 0.00394702/step, 0.749714 hours remaining, 114.421875 MB of memory in use. ENERGY: 1816200 653.1034 1816.5516 1971.2709 101.5862 1.7728 -1042.9350 0.0000 0.0000 2692.6050 6193.9550 297.4057 3501.3500 6226.5087 297.3577 LDB: ============= START OF LOAD BALANCING ============== 7260.78 LDB: ============== END OF LOAD BALANCING =============== 7260.78 LDB: =============== DONE WITH MIGRATION ================ 7260.78 LDB: ============= START OF LOAD BALANCING ============== 7261.17 LDB: ============== END OF LOAD BALANCING =============== 7261.17 LDB: =============== DONE WITH MIGRATION ================ 7261.17 PRESSURE: 1816400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1816400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1816400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1816400 0 0 0 0 0 0 0 0 0 TIMING: 1816400 CPU: 7258.61, 0.00395775/step Wall: 7258.61, 0.00395774/step, 0.751532 hours remaining, 114.421875 MB of memory in use. ENERGY: 1816400 630.4831 1900.9827 1957.4216 100.2749 1.6348 -1087.4065 0.0000 0.0000 2699.5037 6202.8942 298.1677 3503.3905 6237.9550 297.4962 PRESSURE: 1816600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1816600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1816600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1816600 0 0 0 0 0 0 0 0 0 TIMING: 1816600 CPU: 7259.4, 0.00395097/step Wall: 7259.4, 0.00395097/step, 0.750026 hours remaining, 114.421875 MB of memory in use. ENERGY: 1816600 634.7373 1858.7084 1964.3442 105.1152 1.6537 -1042.9825 0.0000 0.0000 2686.0005 6207.5768 296.6762 3521.5763 6240.8579 299.3092 PRESSURE: 1816800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1816800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1816800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1816800 0 0 0 0 0 0 0 0 0 TIMING: 1816800 CPU: 7260.19, 0.00395078/step Wall: 7260.19, 0.00395078/step, 0.749771 hours remaining, 114.421875 MB of memory in use. ENERGY: 1816800 635.0983 1859.3128 1942.6955 109.0314 2.0098 -1088.1636 0.0000 0.0000 2726.4350 6186.4192 301.1423 3459.9843 6220.0760 299.8952 PRESSURE: 1817000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1817000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1817000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1817000 0 0 0 0 0 0 0 0 0 TIMING: 1817000 CPU: 7260.98, 0.0039443/step Wall: 7260.98, 0.0039443/step, 0.748321 hours remaining, 114.421875 MB of memory in use. ENERGY: 1817000 665.0254 1845.9576 1982.7430 94.6719 2.4490 -1113.8906 0.0000 0.0000 2713.2674 6190.2237 299.6879 3476.9564 6227.4497 298.6992 PRESSURE: 1817200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1817200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1817200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1817200 0 0 0 0 0 0 0 0 0 TIMING: 1817200 CPU: 7261.77, 0.00394975/step Wall: 7261.77, 0.00394975/step, 0.749136 hours remaining, 114.421875 MB of memory in use. ENERGY: 1817200 681.1391 1829.4034 1991.1266 109.7404 3.0314 -1078.7407 0.0000 0.0000 2660.3224 6196.0225 293.8400 3535.7001 6226.1163 298.0644 PRESSURE: 1817400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1817400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1817400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1817400 0 0 0 0 0 0 0 0 0 TIMING: 1817400 CPU: 7262.56, 0.00395087/step Wall: 7262.56, 0.00395087/step, 0.74913 hours remaining, 114.421875 MB of memory in use. ENERGY: 1817400 649.1360 1862.9168 1969.0244 108.0346 1.3939 -1072.3800 0.0000 0.0000 2720.2671 6238.3927 300.4611 3518.1256 6270.3282 297.4144 PRESSURE: 1817600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1817600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1817600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1817600 0 0 0 0 0 0 0 0 0 TIMING: 1817600 CPU: 7263.35, 0.00395104/step Wall: 7263.35, 0.00395103/step, 0.74894 hours remaining, 114.421875 MB of memory in use. ENERGY: 1817600 670.1040 1860.9395 1995.6546 114.7224 2.1095 -1084.9333 0.0000 0.0000 2688.0945 6246.6914 296.9075 3558.5968 6278.1998 299.4449 PRESSURE: 1817800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1817800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1817800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1817800 0 0 0 0 0 0 0 0 0 TIMING: 1817800 CPU: 7264.14, 0.00395036/step Wall: 7264.14, 0.00395036/step, 0.748593 hours remaining, 114.421875 MB of memory in use. ENERGY: 1817800 668.5974 1844.5899 1975.5667 101.8638 2.0122 -1085.6304 0.0000 0.0000 2640.6437 6147.6432 291.6664 3506.9996 6180.0597 297.8808 PRESSURE: 1818000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1818000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1818000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1818000 0 0 0 0 0 0 0 0 0 TIMING: 1818000 CPU: 7264.93, 0.0039432/step Wall: 7264.93, 0.0039432/step, 0.747018 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1818000 656.1560 1835.5322 1986.4492 102.5059 2.7063 -1083.6926 0.0000 0.0000 2723.6055 6223.2625 300.8298 3499.6570 6252.6268 296.5886 PRESSURE: 1818200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1818200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1818200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1818200 0 0 0 0 0 0 0 0 0 TIMING: 1818200 CPU: 7265.72, 0.00394884/step Wall: 7265.72, 0.00394884/step, 0.747865 hours remaining, 114.421875 MB of memory in use. ENERGY: 1818200 675.8513 1816.6148 1974.7967 106.0209 1.0528 -1041.9232 0.0000 0.0000 2716.8359 6249.2493 300.0821 3532.4134 6282.2066 298.6701 PRESSURE: 1818400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1818400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1818400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1818400 0 0 0 0 0 0 0 0 0 TIMING: 1818400 CPU: 7266.51, 0.0039494/step Wall: 7266.51, 0.0039494/step, 0.747753 hours remaining, 114.421875 MB of memory in use. ENERGY: 1818400 639.2163 1852.1913 1971.5163 101.3664 1.4622 -1045.0993 0.0000 0.0000 2704.1185 6224.7717 298.6774 3520.6532 6255.8442 298.9714 PRESSURE: 1818600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1818600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1818600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1818600 0 0 0 0 0 0 0 0 0 TIMING: 1818600 CPU: 7267.3, 0.00394741/step Wall: 7267.3, 0.00394741/step, 0.747156 hours remaining, 114.421875 MB of memory in use. ENERGY: 1818600 655.6797 1846.9499 1996.4224 112.8530 1.9017 -1069.1606 0.0000 0.0000 2663.5638 6208.2098 294.1980 3544.6460 6239.9766 300.8310 PRESSURE: 1818800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1818800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1818800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1818800 0 0 0 0 0 0 0 0 0 TIMING: 1818800 CPU: 7268.09, 0.00394881/step Wall: 7268.09, 0.00394881/step, 0.747204 hours remaining, 114.421875 MB of memory in use. ENERGY: 1818800 629.0304 1830.2082 1957.2516 107.9969 1.6961 -1054.4611 0.0000 0.0000 2742.8139 6214.5360 302.9514 3471.7221 6247.8756 299.0088 PRESSURE: 1819000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1819000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1819000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1819000 0 0 0 0 0 0 0 0 0 TIMING: 1819000 CPU: 7268.87, 0.00394154/step Wall: 7268.87, 0.00394154/step, 0.745608 hours remaining, 114.421875 MB of memory in use. ENERGY: 1819000 662.1386 1823.6233 1960.2683 117.7440 1.5091 -1064.0079 0.0000 0.0000 2679.4020 6180.6773 295.9474 3501.2753 6215.5257 297.1945 PRESSURE: 1819200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1819200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1819200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1819200 0 0 0 0 0 0 0 0 0 TIMING: 1819200 CPU: 7269.66, 0.00394974/step Wall: 7269.66, 0.00394974/step, 0.746939 hours remaining, 114.421875 MB of memory in use. ENERGY: 1819200 673.8022 1863.1550 1958.8943 115.1607 1.4852 -1108.0882 0.0000 0.0000 2706.9623 6211.3714 298.9915 3504.4091 6242.0372 298.0456 PRESSURE: 1819400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1819400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1819400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1819400 0 0 0 0 0 0 0 0 0 TIMING: 1819400 CPU: 7270.45, 0.00394749/step Wall: 7270.45, 0.00394749/step, 0.746294 hours remaining, 114.421875 MB of memory in use. ENERGY: 1819400 623.4497 1818.2893 1968.0841 123.9162 0.6410 -1080.3282 0.0000 0.0000 2740.1732 6194.2253 302.6598 3454.0521 6230.4162 299.0549 PRESSURE: 1819600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1819600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1819600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1819600 0 0 0 0 0 0 0 0 0 TIMING: 1819600 CPU: 7271.24, 0.00394763/step Wall: 7271.24, 0.00394763/step, 0.746103 hours remaining, 114.421875 MB of memory in use. ENERGY: 1819600 639.0372 1869.5890 1944.7521 104.5082 0.8091 -1078.0661 0.0000 0.0000 2683.4486 6164.0782 296.3944 3480.6296 6195.7680 297.3127 PRESSURE: 1819800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1819800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1819800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1819800 0 0 0 0 0 0 0 0 0 TIMING: 1819800 CPU: 7272.03, 0.00394051/step Wall: 7272.03, 0.00394051/step, 0.744538 hours remaining, 114.421875 MB of memory in use. ENERGY: 1819800 660.1139 1846.0496 1915.2452 98.8138 1.3896 -1050.4894 0.0000 0.0000 2727.7610 6198.8839 301.2888 3471.1229 6230.1034 296.3766 PRESSURE: 1820000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1820000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1820000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1820000 0 0 0 0 0 0 0 0 0 TIMING: 1820000 CPU: 7272.82, 0.0039485/step Wall: 7272.82, 0.0039485/step, 0.745829 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1820000 617.1159 1822.3484 1947.5583 117.1021 2.2371 -1056.3230 0.0000 0.0000 2690.9584 6140.9974 297.2239 3450.0389 6177.6996 297.2760 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1820000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1820000 WRITING COORDINATES TO RESTART FILE AT STEP 1820000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1820000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1820200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1820200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1820200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1820200 0 0 0 0 0 0 0 0 0 TIMING: 1820200 CPU: 7273.67, 0.00424873/step Wall: 7273.67, 0.00424873/step, 0.802301 hours remaining, 114.421875 MB of memory in use. ENERGY: 1820200 705.6600 1801.7779 1955.5501 114.0669 2.4785 -1093.0285 0.0000 0.0000 2660.2176 6146.7225 293.8284 3486.5049 6182.3696 295.2713 LDB: ============= START OF LOAD BALANCING ============== 7276.63 LDB: ============== END OF LOAD BALANCING =============== 7276.63 LDB: =============== DONE WITH MIGRATION ================ 7276.63 LDB: ============= START OF LOAD BALANCING ============== 7277.03 LDB: ============== END OF LOAD BALANCING =============== 7277.03 LDB: =============== DONE WITH MIGRATION ================ 7277.03 PRESSURE: 1820400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1820400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1820400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1820400 0 0 0 0 0 0 0 0 0 TIMING: 1820400 CPU: 7274.46, 0.0039513/step Wall: 7274.46, 0.00395129/step, 0.745916 hours remaining, 114.421875 MB of memory in use. ENERGY: 1820400 649.0443 1842.5267 1947.7458 105.9885 3.3694 -1063.3678 0.0000 0.0000 2689.8242 6175.1310 297.0986 3485.3068 6208.2150 296.2870 PRESSURE: 1820600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1820600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1820600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1820600 0 0 0 0 0 0 0 0 0 TIMING: 1820600 CPU: 7275.25, 0.00395076/step Wall: 7275.25, 0.00395076/step, 0.745597 hours remaining, 114.421875 MB of memory in use. ENERGY: 1820600 639.2320 1872.6739 1979.6456 106.9210 3.4811 -1086.6781 0.0000 0.0000 2660.2908 6175.5663 293.8365 3515.2755 6205.6336 296.3695 PRESSURE: 1820800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1820800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1820800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1820800 0 0 0 0 0 0 0 0 0 TIMING: 1820800 CPU: 7276.04, 0.00394289/step Wall: 7276.04, 0.00394289/step, 0.743891 hours remaining, 114.421875 MB of memory in use. ENERGY: 1820800 658.5597 1813.0517 1982.3431 108.9287 2.5422 -1052.3062 0.0000 0.0000 2642.8936 6156.0127 291.9150 3513.1191 6190.5265 296.4459 PRESSURE: 1821000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1821000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1821000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1821000 0 0 0 0 0 0 0 0 0 TIMING: 1821000 CPU: 7276.83, 0.00394639/step Wall: 7276.83, 0.00394639/step, 0.744332 hours remaining, 114.421875 MB of memory in use. ENERGY: 1821000 646.9903 1831.0335 1957.6054 105.5732 3.6547 -1075.4636 0.0000 0.0000 2704.3740 6173.7676 298.7056 3469.3935 6206.1298 296.2066 PRESSURE: 1821200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1821200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1821200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1821200 0 0 0 0 0 0 0 0 0 TIMING: 1821200 CPU: 7277.62, 0.00394848/step Wall: 7277.62, 0.00394848/step, 0.744507 hours remaining, 114.421875 MB of memory in use. ENERGY: 1821200 677.6968 1812.6965 1952.4623 109.3201 3.0352 -1055.1856 0.0000 0.0000 2677.8141 6177.8393 295.7720 3500.0252 6209.5796 296.7484 PRESSURE: 1821400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1821400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1821400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1821400 0 0 0 0 0 0 0 0 0 TIMING: 1821400 CPU: 7278.41, 0.00394853/step Wall: 7278.41, 0.00394853/step, 0.744299 hours remaining, 114.421875 MB of memory in use. ENERGY: 1821400 661.9483 1857.1338 1970.0376 113.1068 3.2073 -1061.6113 0.0000 0.0000 2667.6130 6211.4355 294.6453 3543.8225 6242.1275 297.5394 PRESSURE: 1821600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1821600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1821600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1821600 0 0 0 0 0 0 0 0 0 TIMING: 1821600 CPU: 7279.2, 0.00395008/step Wall: 7279.2, 0.00395008/step, 0.744371 hours remaining, 114.421875 MB of memory in use. ENERGY: 1821600 642.7698 1856.4133 1999.8009 118.8217 1.4977 -1098.0679 0.0000 0.0000 2656.0794 6177.3147 293.3714 3521.2353 6211.9587 298.6447 PRESSURE: 1821800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1821800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1821800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1821800 0 0 0 0 0 0 0 0 0 TIMING: 1821800 CPU: 7279.99, 0.00394423/step Wall: 7279.99, 0.00394423/step, 0.743049 hours remaining, 114.421875 MB of memory in use. ENERGY: 1821800 661.4567 1803.0636 1945.0183 110.5252 2.8905 -1060.7307 0.0000 0.0000 2655.8555 6118.0792 293.3466 3462.2236 6147.9745 295.5716 PRESSURE: 1822000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1822000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1822000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1822000 0 0 0 0 0 0 0 0 0 TIMING: 1822000 CPU: 7280.78, 0.00395195/step Wall: 7280.78, 0.00395195/step, 0.744284 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1822000 658.2463 1827.0691 1958.8421 108.8231 2.4186 -1086.9045 0.0000 0.0000 2657.0710 6125.5657 293.4809 3468.4947 6157.2076 294.2332 PRESSURE: 1822200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1822200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1822200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1822200 0 0 0 0 0 0 0 0 0 TIMING: 1822200 CPU: 7281.57, 0.00395072/step Wall: 7281.57, 0.00395072/step, 0.743832 hours remaining, 114.421875 MB of memory in use. ENERGY: 1822200 599.9544 1835.6857 1959.6159 108.5138 2.2591 -1088.1867 0.0000 0.0000 2672.3053 6090.1475 295.1636 3417.8422 6123.0681 294.7363 PRESSURE: 1822400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1822400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1822400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1822400 0 0 0 0 0 0 0 0 0 TIMING: 1822400 CPU: 7282.36, 0.00394937/step Wall: 7282.36, 0.00394937/step, 0.743358 hours remaining, 114.421875 MB of memory in use. ENERGY: 1822400 645.9699 1828.9201 1954.8506 104.9933 2.7848 -1082.9506 0.0000 0.0000 2648.3862 6102.9544 292.5216 3454.5682 6136.2724 293.0639 PRESSURE: 1822600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1822600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1822600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1822600 0 0 0 0 0 0 0 0 0 TIMING: 1822600 CPU: 7283.15, 0.0039501/step Wall: 7283.15, 0.0039501/step, 0.743277 hours remaining, 114.421875 MB of memory in use. ENERGY: 1822600 634.2901 1868.1696 1960.9602 97.7967 2.0305 -1090.3947 0.0000 0.0000 2640.3505 6113.2030 291.6341 3472.8524 6143.5844 292.7436 PRESSURE: 1822800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1822800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1822800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1822800 0 0 0 0 0 0 0 0 0 TIMING: 1822800 CPU: 7283.94, 0.00394231/step Wall: 7283.94, 0.00394231/step, 0.741593 hours remaining, 114.421875 MB of memory in use. ENERGY: 1822800 650.9661 1777.3446 1953.4735 101.1197 1.0881 -1052.8298 0.0000 0.0000 2711.6807 6142.8429 299.5127 3431.1622 6175.9734 294.4814 PRESSURE: 1823000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1823000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1823000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1823000 0 0 0 0 0 0 0 0 0 TIMING: 1823000 CPU: 7284.73, 0.00394806/step Wall: 7284.73, 0.00394806/step, 0.742455 hours remaining, 114.421875 MB of memory in use. ENERGY: 1823000 672.6423 1840.0767 1962.9949 109.1692 0.7720 -1065.3939 0.0000 0.0000 2675.9004 6196.1616 295.5607 3520.2612 6230.7987 297.1511 PRESSURE: 1823200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1823200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1823200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1823200 0 0 0 0 0 0 0 0 0 TIMING: 1823200 CPU: 7285.52, 0.00394915/step Wall: 7285.52, 0.00394915/step, 0.742439 hours remaining, 114.421875 MB of memory in use. ENERGY: 1823200 670.9526 1854.6274 1951.0452 100.9851 -0.0925 -1047.1793 0.0000 0.0000 2693.1697 6223.5082 297.4681 3530.3385 6256.0910 297.4005 PRESSURE: 1823400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1823400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1823400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1823400 0 0 0 0 0 0 0 0 0 TIMING: 1823400 CPU: 7286.3, 0.00394711/step Wall: 7286.3, 0.00394711/step, 0.741838 hours remaining, 114.421875 MB of memory in use. ENERGY: 1823400 665.2905 1830.5932 1941.2533 102.5577 1.8464 -1053.8667 0.0000 0.0000 2711.7033 6199.3777 299.5152 3487.6744 6230.8537 298.7710 PRESSURE: 1823600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1823600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1823600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1823600 0 0 0 0 0 0 0 0 0 TIMING: 1823600 CPU: 7287.09, 0.00394749/step Wall: 7287.09, 0.00394749/step, 0.741689 hours remaining, 114.421875 MB of memory in use. ENERGY: 1823600 658.6516 1875.9532 1910.8191 112.1372 2.8512 -1038.1212 0.0000 0.0000 2729.6848 6251.9759 301.5013 3522.2910 6285.6484 301.0997 PRESSURE: 1823800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1823800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1823800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1823800 0 0 0 0 0 0 0 0 0 TIMING: 1823800 CPU: 7287.88, 0.00394516/step Wall: 7287.88, 0.00394516/step, 0.741032 hours remaining, 114.421875 MB of memory in use. ENERGY: 1823800 689.3618 1870.9832 1961.7596 118.5679 2.1009 -1114.6475 0.0000 0.0000 2711.0409 6239.1668 299.4420 3528.1259 6271.4833 300.7277 PRESSURE: 1824000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1824000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1824000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1824000 0 0 0 0 0 0 0 0 0 TIMING: 1824000 CPU: 7288.67, 0.00394735/step Wall: 7288.67, 0.00394735/step, 0.741224 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1824000 641.9963 1841.1999 1945.8436 117.2917 2.4559 -1042.7309 0.0000 0.0000 2729.2584 6235.3148 301.4542 3506.0564 6271.3166 300.5511 PRESSURE: 1824200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1824200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1824200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1824200 0 0 0 0 0 0 0 0 0 TIMING: 1824200 CPU: 7289.46, 0.00394747/step Wall: 7289.46, 0.00394747/step, 0.741027 hours remaining, 114.421875 MB of memory in use. ENERGY: 1824200 638.6144 1815.0510 1999.8961 113.6403 1.7092 -1075.8102 0.0000 0.0000 2690.3207 6183.4215 297.1534 3493.1008 6216.8334 298.4347 LDB: ============= START OF LOAD BALANCING ============== 7292.42 LDB: ============== END OF LOAD BALANCING =============== 7292.42 LDB: =============== DONE WITH MIGRATION ================ 7292.42 LDB: ============= START OF LOAD BALANCING ============== 7292.82 LDB: ============== END OF LOAD BALANCING =============== 7292.82 LDB: =============== DONE WITH MIGRATION ================ 7292.82 PRESSURE: 1824400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1824400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1824400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1824400 0 0 0 0 0 0 0 0 0 TIMING: 1824400 CPU: 7290.25, 0.0039517/step Wall: 7290.25, 0.0039517/step, 0.741603 hours remaining, 114.421875 MB of memory in use. ENERGY: 1824400 632.3673 1869.5297 1990.5154 105.5214 2.5219 -1094.2221 0.0000 0.0000 2701.4574 6207.6909 298.3835 3506.2336 6242.0235 298.7020 PRESSURE: 1824600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1824600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1824600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1824600 0 0 0 0 0 0 0 0 0 TIMING: 1824600 CPU: 7291.04, 0.00394516/step Wall: 7291.04, 0.00394516/step, 0.740155 hours remaining, 114.421875 MB of memory in use. ENERGY: 1824600 618.8742 1838.3342 2004.0291 103.7074 1.7114 -1060.3716 0.0000 0.0000 2697.8631 6204.1478 297.9865 3506.2848 6236.4878 298.1531 PRESSURE: 1824800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1824800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1824800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1824800 0 0 0 0 0 0 0 0 0 TIMING: 1824800 CPU: 7291.83, 0.00394706/step Wall: 7291.83, 0.00394706/step, 0.740293 hours remaining, 114.421875 MB of memory in use. ENERGY: 1824800 657.9231 1869.0218 1987.5364 117.2902 1.5992 -1104.2546 0.0000 0.0000 2727.5482 6256.6644 301.2653 3529.1162 6290.5858 298.8460 PRESSURE: 1825000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1825000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1825000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1825000 0 0 0 0 0 0 0 0 0 TIMING: 1825000 CPU: 7292.62, 0.00394814/step Wall: 7292.62, 0.00394814/step, 0.740277 hours remaining, 114.421875 MB of memory in use. ENERGY: 1825000 653.0469 1872.9955 1979.4577 98.6274 3.0077 -1088.7970 0.0000 0.0000 2711.7196 6230.0578 299.5170 3518.3383 6262.6635 300.9158 PRESSURE: 1825200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1825200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1825200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1825200 0 0 0 0 0 0 0 0 0 TIMING: 1825200 CPU: 7293.41, 0.00394809/step Wall: 7293.41, 0.00394809/step, 0.740047 hours remaining, 114.421875 MB of memory in use. ENERGY: 1825200 680.2765 1796.3529 1986.1374 94.1152 1.5018 -1061.9898 0.0000 0.0000 2778.4576 6274.8516 306.8884 3496.3941 6308.2443 299.1832 PRESSURE: 1825400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1825400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1825400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1825400 0 0 0 0 0 0 0 0 0 TIMING: 1825400 CPU: 7294.2, 0.00394834/step Wall: 7294.2, 0.00394834/step, 0.739875 hours remaining, 114.421875 MB of memory in use. ENERGY: 1825400 672.5739 1850.7996 2005.2332 99.8809 -0.4919 -1079.3983 0.0000 0.0000 2754.8112 6303.4087 304.2766 3548.5975 6338.4203 303.3484 PRESSURE: 1825600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1825600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1825600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1825600 0 0 0 0 0 0 0 0 0 TIMING: 1825600 CPU: 7294.99, 0.0039431/step Wall: 7294.99, 0.00394309/step, 0.738673 hours remaining, 114.421875 MB of memory in use. ENERGY: 1825600 643.9700 1836.2017 1976.4215 112.2142 0.5779 -1029.8278 0.0000 0.0000 2715.3031 6254.8606 299.9128 3539.5575 6289.7944 301.6286 PRESSURE: 1825800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1825800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1825800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1825800 0 0 0 0 0 0 0 0 0 TIMING: 1825800 CPU: 7295.78, 0.00394912/step Wall: 7295.78, 0.00394913/step, 0.739584 hours remaining, 114.421875 MB of memory in use. ENERGY: 1825800 708.7884 1819.1731 1974.1278 109.3322 2.1495 -1072.3875 0.0000 0.0000 2684.4557 6225.6392 296.5056 3541.1835 6259.0882 299.7380 PRESSURE: 1826000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1826000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1826000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1826000 0 0 0 0 0 0 0 0 0 TIMING: 1826000 CPU: 7296.57, 0.0039488/step Wall: 7296.57, 0.0039488/step, 0.739303 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1826000 679.5744 1833.0088 1979.2792 103.1354 1.4917 -1089.3831 0.0000 0.0000 2695.5650 6202.6714 297.7327 3507.1064 6234.5329 298.1657 PRESSURE: 1826200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1826200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1826200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1826200 0 0 0 0 0 0 0 0 0 TIMING: 1826200 CPU: 7297.36, 0.00394808/step Wall: 7297.36, 0.00394808/step, 0.738948 hours remaining, 114.421875 MB of memory in use. ENERGY: 1826200 672.1856 1844.9841 1990.1979 108.0749 1.5811 -1036.0183 0.0000 0.0000 2656.0513 6237.0566 293.3683 3581.0053 6268.7739 299.0455 PRESSURE: 1826400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1826400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1826400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1826400 0 0 0 0 0 0 0 0 0 TIMING: 1826400 CPU: 7298.15, 0.00395802/step Wall: 7298.15, 0.00395802/step, 0.74059 hours remaining, 114.421875 MB of memory in use. ENERGY: 1826400 672.2246 1833.8356 1969.1416 116.9895 0.5030 -1039.5044 0.0000 0.0000 2726.3349 6279.5249 301.1313 3553.1900 6310.0328 300.4868 PRESSURE: 1826600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1826600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1826600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1826600 0 0 0 0 0 0 0 0 0 TIMING: 1826600 CPU: 7298.94, 0.00394135/step Wall: 7298.94, 0.00394135/step, 0.737251 hours remaining, 114.421875 MB of memory in use. ENERGY: 1826600 663.1634 1814.3393 1978.4527 107.8541 1.2637 -1033.5354 0.0000 0.0000 2768.1606 6299.6983 305.7511 3531.5376 6330.3784 303.3671 PRESSURE: 1826800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1826800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1826800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1826800 0 0 0 0 0 0 0 0 0 TIMING: 1826800 CPU: 7299.73, 0.00394697/step Wall: 7299.73, 0.00394697/step, 0.738083 hours remaining, 114.421875 MB of memory in use. ENERGY: 1826800 672.3210 1881.0222 2028.5982 111.4850 1.8231 -1058.8168 0.0000 0.0000 2676.7532 6313.1859 295.6549 3636.4327 6342.7362 301.6306 PRESSURE: 1827000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1827000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1827000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1827000 0 0 0 0 0 0 0 0 0 TIMING: 1827000 CPU: 7300.52, 0.00394518/step Wall: 7300.52, 0.00394518/step, 0.73753 hours remaining, 114.421875 MB of memory in use. ENERGY: 1827000 648.3493 1852.7663 1984.1578 104.1474 2.3062 -1096.5488 0.0000 0.0000 2763.3859 6258.5642 305.2237 3495.1783 6291.3204 302.1976 PRESSURE: 1827200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1827200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1827200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1827200 0 0 0 0 0 0 0 0 0 TIMING: 1827200 CPU: 7301.31, 0.00394594/step Wall: 7301.31, 0.00394594/step, 0.737453 hours remaining, 114.421875 MB of memory in use. ENERGY: 1827200 640.6298 1851.3461 1989.3972 109.3447 1.3135 -1086.9103 0.0000 0.0000 2791.8226 6296.9437 308.3646 3505.1211 6330.9469 302.4961 PRESSURE: 1827400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1827400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1827400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1827400 0 0 0 0 0 0 0 0 0 TIMING: 1827400 CPU: 7302.09, 0.00394264/step Wall: 7302.09, 0.00394264/step, 0.736617 hours remaining, 114.421875 MB of memory in use. ENERGY: 1827400 653.1837 1870.2361 1986.7587 105.7640 0.2399 -1064.6060 0.0000 0.0000 2760.8544 6312.4309 304.9441 3551.5764 6342.3683 303.6214 PRESSURE: 1827600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1827600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1827600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1827600 0 0 0 0 0 0 0 0 0 TIMING: 1827600 CPU: 7302.88, 0.00394661/step Wall: 7302.88, 0.00394661/step, 0.737139 hours remaining, 114.421875 MB of memory in use. ENERGY: 1827600 658.0310 1877.9663 1982.7789 112.8973 0.6429 -1080.6398 0.0000 0.0000 2779.2437 6330.9202 306.9752 3551.6765 6364.7480 305.0173 PRESSURE: 1827800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1827800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1827800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1827800 0 0 0 0 0 0 0 0 0 TIMING: 1827800 CPU: 7303.67, 0.00394585/step Wall: 7303.67, 0.00394585/step, 0.736778 hours remaining, 114.421875 MB of memory in use. ENERGY: 1827800 675.4826 1822.3699 1980.8111 103.6740 3.3840 -1099.9545 0.0000 0.0000 2743.8288 6229.5960 303.0635 3485.7671 6264.8953 304.3564 PRESSURE: 1828000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1828000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1828000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1828000 0 0 0 0 0 0 0 0 0 TIMING: 1828000 CPU: 7304.46, 0.00394485/step Wall: 7304.46, 0.00394485/step, 0.736372 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1828000 648.6046 1826.8778 1979.9796 109.3813 2.3732 -1077.6711 0.0000 0.0000 2685.1897 6174.7351 296.5867 3489.5454 6207.3058 297.6798 PRESSURE: 1828200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1828200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1828200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1828200 0 0 0 0 0 0 0 0 0 TIMING: 1828200 CPU: 7305.25, 0.00395895/step Wall: 7305.25, 0.00395895/step, 0.738783 hours remaining, 114.421875 MB of memory in use. ENERGY: 1828200 677.4882 1807.4440 1955.6117 103.4295 2.5333 -1039.8116 0.0000 0.0000 2695.5312 6202.2264 297.7289 3506.6952 6234.3062 296.8434 LDB: ============= START OF LOAD BALANCING ============== 7308.21 LDB: ============== END OF LOAD BALANCING =============== 7308.21 LDB: =============== DONE WITH MIGRATION ================ 7308.21 LDB: ============= START OF LOAD BALANCING ============== 7308.61 LDB: ============== END OF LOAD BALANCING =============== 7308.61 LDB: =============== DONE WITH MIGRATION ================ 7308.61 PRESSURE: 1828400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1828400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1828400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1828400 0 0 0 0 0 0 0 0 0 TIMING: 1828400 CPU: 7306.04, 0.00395354/step Wall: 7306.04, 0.00395354/step, 0.737555 hours remaining, 114.421875 MB of memory in use. ENERGY: 1828400 673.6812 1791.7894 2017.5847 108.6495 1.7358 -1092.9792 0.0000 0.0000 2705.7591 6206.2205 298.8586 3500.4613 6239.7645 298.7175 PRESSURE: 1828600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1828600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1828600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1828600 0 0 0 0 0 0 0 0 0 TIMING: 1828600 CPU: 7306.83, 0.00394738/step Wall: 7306.83, 0.00394738/step, 0.736187 hours remaining, 114.421875 MB of memory in use. ENERGY: 1828600 627.8935 1792.2137 1977.9452 98.2301 3.1434 -1064.5675 0.0000 0.0000 2784.3567 6219.2151 307.5400 3434.8584 6256.8330 299.5844 PRESSURE: 1828800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1828800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1828800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1828800 0 0 0 0 0 0 0 0 0 TIMING: 1828800 CPU: 7307.62, 0.00394609/step Wall: 7307.62, 0.00394609/step, 0.735727 hours remaining, 114.421875 MB of memory in use. ENERGY: 1828800 660.6815 1847.0301 1950.6238 109.8387 1.1048 -1079.2743 0.0000 0.0000 2660.7711 6150.7757 293.8896 3490.0046 6181.4917 298.6668 PRESSURE: 1829000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1829000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1829000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1829000 0 0 0 0 0 0 0 0 0 TIMING: 1829000 CPU: 7308.41, 0.00394489/step Wall: 7308.41, 0.00394489/step, 0.735284 hours remaining, 114.421875 MB of memory in use. ENERGY: 1829000 665.8903 1862.3187 1957.5137 106.7375 1.3433 -1116.9827 0.0000 0.0000 2735.1253 6211.9462 302.1022 3476.8209 6244.9728 297.3557 PRESSURE: 1829200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1829200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1829200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1829200 0 0 0 0 0 0 0 0 0 TIMING: 1829200 CPU: 7309.2, 0.00394562/step Wall: 7309.2, 0.00394562/step, 0.735201 hours remaining, 114.421875 MB of memory in use. ENERGY: 1829200 683.1476 1841.9804 1962.7980 108.9384 1.7322 -1042.4791 0.0000 0.0000 2710.6590 6266.7765 299.3998 3556.1175 6298.2293 301.4926 PRESSURE: 1829400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1829400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1829400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1829400 0 0 0 0 0 0 0 0 0 TIMING: 1829400 CPU: 7309.99, 0.00394049/step Wall: 7309.99, 0.00394049/step, 0.734026 hours remaining, 114.421875 MB of memory in use. ENERGY: 1829400 654.0719 1851.0187 2023.3305 112.3035 2.0744 -1082.6125 0.0000 0.0000 2749.9451 6310.1316 303.7391 3560.1865 6345.0222 303.5134 PRESSURE: 1829600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1829600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1829600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1829600 0 0 0 0 0 0 0 0 0 TIMING: 1829600 CPU: 7310.78, 0.00394611/step Wall: 7310.78, 0.00394611/step, 0.734854 hours remaining, 114.421875 MB of memory in use. ENERGY: 1829600 630.6937 1887.7332 1991.0301 106.4112 1.6397 -1057.5670 0.0000 0.0000 2748.0976 6308.0384 303.5350 3559.9409 6341.0376 304.3031 PRESSURE: 1829800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1829800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1829800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1829800 0 0 0 0 0 0 0 0 0 TIMING: 1829800 CPU: 7311.57, 0.00394655/step Wall: 7311.57, 0.00394655/step, 0.734716 hours remaining, 114.421875 MB of memory in use. ENERGY: 1829800 615.9049 1877.8264 1965.2102 106.1925 2.1432 -1043.0272 0.0000 0.0000 2768.8359 6293.0859 305.8256 3524.2500 6326.6696 303.6771 PRESSURE: 1830000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1830000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1830000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1830000 0 0 0 0 0 0 0 0 0 TIMING: 1830000 CPU: 7312.36, 0.00394772/step Wall: 7312.36, 0.00394772/step, 0.734714 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1830000 645.3008 1875.9252 1969.2718 108.8906 1.2952 -1066.3367 0.0000 0.0000 2768.4207 6302.7677 305.7798 3534.3470 6336.2630 305.0986 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1830000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1830000 WRITING COORDINATES TO RESTART FILE AT STEP 1830000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1830000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1830200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1830200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1830200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1830200 0 0 0 0 0 0 0 0 0 TIMING: 1830200 CPU: 7313.18, 0.00412154/step Wall: 7313.18, 0.00412154/step, 0.766836 hours remaining, 114.421875 MB of memory in use. ENERGY: 1830200 657.9118 1858.0011 1965.0416 108.4567 2.2331 -1092.9557 0.0000 0.0000 2736.3103 6234.9990 302.2331 3498.6886 6270.2820 302.3341 PRESSURE: 1830400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1830400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1830400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1830400 0 0 0 0 0 0 0 0 0 TIMING: 1830400 CPU: 7313.97, 0.00394156/step Wall: 7313.97, 0.00394156/step, 0.733129 hours remaining, 114.421875 MB of memory in use. ENERGY: 1830400 687.5012 1892.6974 1989.7356 116.3394 1.8279 -1107.3183 0.0000 0.0000 2720.2287 6301.0118 300.4568 3580.7832 6331.3682 301.1306 PRESSURE: 1830600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1830600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1830600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1830600 0 0 0 0 0 0 0 0 0 TIMING: 1830600 CPU: 7314.76, 0.00394822/step Wall: 7314.76, 0.00394822/step, 0.734149 hours remaining, 114.421875 MB of memory in use. ENERGY: 1830600 650.5863 1933.6779 1970.0218 107.4202 1.7555 -1064.4580 0.0000 0.0000 2772.0311 6371.0347 306.1786 3599.0036 6405.6220 306.3038 PRESSURE: 1830800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1830800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1830800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1830800 0 0 0 0 0 0 0 0 0 TIMING: 1830800 CPU: 7315.55, 0.00394816/step Wall: 7315.55, 0.00394816/step, 0.733919 hours remaining, 114.421875 MB of memory in use. ENERGY: 1830800 655.0330 1921.2679 1984.6199 124.2174 0.9787 -1060.5419 0.0000 0.0000 2757.7154 6383.2903 304.5973 3625.5749 6417.6686 307.9228 PRESSURE: 1831000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1831000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1831000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1831000 0 0 0 0 0 0 0 0 0 TIMING: 1831000 CPU: 7316.34, 0.00394881/step Wall: 7316.34, 0.00394881/step, 0.733821 hours remaining, 114.421875 MB of memory in use. ENERGY: 1831000 666.6377 1897.8802 1985.1674 111.1211 1.1937 -1097.2681 0.0000 0.0000 2791.9142 6356.6463 308.3747 3564.7321 6389.6750 308.3984 PRESSURE: 1831200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1831200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1831200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1831200 0 0 0 0 0 0 0 0 0 TIMING: 1831200 CPU: 7317.13, 0.00394123/step Wall: 7317.13, 0.00394123/step, 0.732194 hours remaining, 114.421875 MB of memory in use. ENERGY: 1831200 675.4492 1878.7624 1980.7116 108.6472 2.0272 -1076.6637 0.0000 0.0000 2836.4655 6405.3994 313.2955 3568.9340 6439.0836 308.9506 PRESSURE: 1831400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1831400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1831400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1831400 0 0 0 0 0 0 0 0 0 TIMING: 1831400 CPU: 7317.92, 0.00394544/step Wall: 7317.92, 0.00394544/step, 0.732755 hours remaining, 114.421875 MB of memory in use. ENERGY: 1831400 689.3142 1904.1047 1959.8428 118.8328 2.1728 -1043.0402 0.0000 0.0000 2763.2882 6394.5153 305.2129 3631.2271 6427.7987 309.8051 PRESSURE: 1831600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1831600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1831600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1831600 0 0 0 0 0 0 0 0 0 TIMING: 1831600 CPU: 7318.7, 0.0039458/step Wall: 7318.7, 0.0039458/step, 0.732604 hours remaining, 114.421875 MB of memory in use. ENERGY: 1831600 671.7020 1880.3428 1991.2164 93.7640 3.5059 -1075.0945 0.0000 0.0000 2783.8111 6349.2477 307.4797 3565.4366 6384.6432 307.5070 PRESSURE: 1831800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1831800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1831800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1831800 0 0 0 0 0 0 0 0 0 TIMING: 1831800 CPU: 7319.49, 0.00394754/step Wall: 7319.49, 0.00394754/step, 0.732707 hours remaining, 114.421875 MB of memory in use. ENERGY: 1831800 692.6554 1848.0826 1996.2940 120.3795 2.9513 -1062.8252 0.0000 0.0000 2758.7524 6356.2901 304.7119 3597.5377 6391.7298 305.0844 PRESSURE: 1832000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1832000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1832000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1832000 0 0 0 0 0 0 0 0 0 TIMING: 1832000 CPU: 7320.28, 0.00394732/step Wall: 7320.28, 0.00394732/step, 0.732447 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1832000 687.8061 1821.5079 1987.5427 109.8247 2.7220 -1035.8160 0.0000 0.0000 2823.6957 6397.2832 311.8851 3573.5875 6429.0919 305.9118 PRESSURE: 1832200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1832200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1832200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1832200 0 0 0 0 0 0 0 0 0 TIMING: 1832200 CPU: 7321.07, 0.00394207/step Wall: 7321.07, 0.00394207/step, 0.731255 hours remaining, 114.421875 MB of memory in use. ENERGY: 1832200 699.5422 1875.6949 1973.1635 108.9903 0.3337 -1074.8217 0.0000 0.0000 2756.5264 6339.4292 304.4660 3582.9028 6374.2247 307.7401 LDB: ============= START OF LOAD BALANCING ============== 7324.03 LDB: ============== END OF LOAD BALANCING =============== 7324.03 LDB: =============== DONE WITH MIGRATION ================ 7324.03 LDB: ============= START OF LOAD BALANCING ============== 7324.43 LDB: ============== END OF LOAD BALANCING =============== 7324.43 LDB: =============== DONE WITH MIGRATION ================ 7324.43 PRESSURE: 1832400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1832400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1832400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1832400 0 0 0 0 0 0 0 0 0 TIMING: 1832400 CPU: 7321.86, 0.00395147/step Wall: 7321.86, 0.00395147/step, 0.732779 hours remaining, 114.421875 MB of memory in use. ENERGY: 1832400 668.3269 1906.7403 1962.5181 95.3587 2.2157 -1074.2133 0.0000 0.0000 2747.5078 6308.4543 303.4699 3560.9465 6341.5157 305.3975 PRESSURE: 1832600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1832600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1832600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1832600 0 0 0 0 0 0 0 0 0 TIMING: 1832600 CPU: 7322.65, 0.0039479/step Wall: 7322.65, 0.0039479/step, 0.731896 hours remaining, 114.421875 MB of memory in use. ENERGY: 1832600 659.7442 1828.6802 1974.4293 109.3502 1.3450 -1060.8731 0.0000 0.0000 2733.3690 6246.0446 301.9082 3512.6757 6279.3056 302.4696 PRESSURE: 1832800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1832800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1832800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1832800 0 0 0 0 0 0 0 0 0 TIMING: 1832800 CPU: 7323.44, 0.00394751/step Wall: 7323.44, 0.00394751/step, 0.731606 hours remaining, 114.421875 MB of memory in use. ENERGY: 1832800 681.5741 1907.1569 1963.7209 103.3907 2.8388 -1095.9887 0.0000 0.0000 2699.2303 6261.9230 298.1375 3562.6927 6290.9325 301.2366 PRESSURE: 1833000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1833000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1833000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1833000 0 0 0 0 0 0 0 0 0 TIMING: 1833000 CPU: 7324.23, 0.00394594/step Wall: 7324.23, 0.00394594/step, 0.731095 hours remaining, 114.421875 MB of memory in use. ENERGY: 1833000 694.3084 1853.6733 1975.4246 106.1892 0.8410 -1103.9586 0.0000 0.0000 2725.9088 6252.3866 301.0842 3526.4779 6284.4921 301.0875 PRESSURE: 1833200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1833200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1833200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1833200 0 0 0 0 0 0 0 0 0 TIMING: 1833200 CPU: 7325.02, 0.00394098/step Wall: 7325.02, 0.00394098/step, 0.729957 hours remaining, 114.421875 MB of memory in use. ENERGY: 1833200 667.4453 1866.0051 1980.8415 115.0190 1.4460 -1150.2691 0.0000 0.0000 2726.0189 6206.5067 301.0964 3480.4878 6240.5769 301.2348 PRESSURE: 1833400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1833400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1833400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1833400 0 0 0 0 0 0 0 0 0 TIMING: 1833400 CPU: 7325.81, 0.00394684/step Wall: 7325.81, 0.00394684/step, 0.730823 hours remaining, 114.421875 MB of memory in use. ENERGY: 1833400 631.1195 1884.9217 1966.1187 107.4535 2.3869 -1073.8280 0.0000 0.0000 2694.7563 6212.9285 297.6433 3518.1723 6246.0278 299.8766 PRESSURE: 1833600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1833600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1833600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1833600 0 0 0 0 0 0 0 0 0 TIMING: 1833600 CPU: 7326.6, 0.00394704/step Wall: 7326.6, 0.00394704/step, 0.730642 hours remaining, 114.421875 MB of memory in use. ENERGY: 1833600 651.7998 1857.7235 1963.0588 110.6934 0.6389 -1110.7332 0.0000 0.0000 2715.8532 6189.0345 299.9736 3473.1813 6223.7819 299.9042 PRESSURE: 1833800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1833800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1833800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1833800 0 0 0 0 0 0 0 0 0 TIMING: 1833800 CPU: 7327.39, 0.00394774/step Wall: 7327.39, 0.00394774/step, 0.730551 hours remaining, 114.421875 MB of memory in use. ENERGY: 1833800 608.3541 1827.7684 1959.4954 111.3931 1.2235 -1056.4542 0.0000 0.0000 2680.6942 6132.4744 296.0901 3451.7802 6164.5255 295.9497 PRESSURE: 1834000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1834000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1834000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1834000 0 0 0 0 0 0 0 0 0 TIMING: 1834000 CPU: 7328.18, 0.00394656/step Wall: 7328.18, 0.00394656/step, 0.730114 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1834000 663.1899 1824.8513 1937.6690 113.6118 0.7756 -1076.4687 0.0000 0.0000 2684.3298 6147.9586 296.4917 3463.6289 6181.0496 294.7988 PRESSURE: 1834200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1834200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1834200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1834200 0 0 0 0 0 0 0 0 0 TIMING: 1834200 CPU: 7328.97, 0.00394253/step Wall: 7328.97, 0.00394253/step, 0.729149 hours remaining, 114.421875 MB of memory in use. ENERGY: 1834200 664.6053 1840.2828 1988.7209 106.6307 1.3393 -1093.4284 0.0000 0.0000 2630.7497 6138.9002 290.5736 3508.1505 6171.1417 296.6029 PRESSURE: 1834400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1834400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1834400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1834400 0 0 0 0 0 0 0 0 0 TIMING: 1834400 CPU: 7329.76, 0.00394879/step Wall: 7329.76, 0.00394879/step, 0.730087 hours remaining, 114.421875 MB of memory in use. ENERGY: 1834400 660.0071 1797.8116 1972.2570 111.1957 2.0422 -1059.4945 0.0000 0.0000 2665.4780 6149.2971 294.4095 3483.8191 6181.4374 294.9155 PRESSURE: 1834600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1834600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1834600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1834600 0 0 0 0 0 0 0 0 0 TIMING: 1834600 CPU: 7330.54, 0.00394707/step Wall: 7330.54, 0.00394707/step, 0.729551 hours remaining, 114.421875 MB of memory in use. ENERGY: 1834600 676.3605 1800.3448 1954.0332 96.0400 1.5768 -1078.2609 0.0000 0.0000 2727.5595 6177.6538 301.2665 3450.0943 6211.5359 296.0473 PRESSURE: 1834800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1834800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1834800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1834800 0 0 0 0 0 0 0 0 0 TIMING: 1834800 CPU: 7331.33, 0.00394883/step Wall: 7331.33, 0.00394883/step, 0.729656 hours remaining, 114.421875 MB of memory in use. ENERGY: 1834800 651.4066 1863.4018 1972.3486 115.0165 -0.4743 -1091.6528 0.0000 0.0000 2681.7962 6191.8425 296.2119 3510.0463 6223.7463 297.9761 PRESSURE: 1835000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1835000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1835000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1835000 0 0 0 0 0 0 0 0 0 TIMING: 1835000 CPU: 7332.12, 0.00394282/step Wall: 7332.12, 0.00394282/step, 0.728327 hours remaining, 114.421875 MB of memory in use. ENERGY: 1835000 638.5211 1807.0303 1966.6082 104.0050 1.2731 -1098.1287 0.0000 0.0000 2782.3447 6201.6537 307.3177 3419.3090 6237.6970 299.3139 PRESSURE: 1835200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1835200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1835200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1835200 0 0 0 0 0 0 0 0 0 TIMING: 1835200 CPU: 7332.91, 0.00394864/step Wall: 7332.91, 0.00394864/step, 0.729181 hours remaining, 114.421875 MB of memory in use. ENERGY: 1835200 686.4886 1827.8908 1988.1714 103.1785 0.8458 -1122.7938 0.0000 0.0000 2756.5595 6240.3407 304.4697 3483.7812 6273.9097 301.0936 PRESSURE: 1835400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1835400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1835400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1835400 0 0 0 0 0 0 0 0 0 TIMING: 1835400 CPU: 7333.7, 0.00394785/step Wall: 7333.7, 0.00394785/step, 0.728817 hours remaining, 114.421875 MB of memory in use. ENERGY: 1835400 650.7054 1825.2341 1963.8286 107.9292 1.5891 -1091.7544 0.0000 0.0000 2753.2011 6210.7331 304.0987 3457.5320 6246.6952 299.8891 PRESSURE: 1835600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1835600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1835600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1835600 0 0 0 0 0 0 0 0 0 TIMING: 1835600 CPU: 7334.49, 0.00394552/step Wall: 7334.49, 0.00394552/step, 0.728167 hours remaining, 114.421875 MB of memory in use. ENERGY: 1835600 678.9021 1844.6210 1945.4645 101.1635 1.3598 -1103.9271 0.0000 0.0000 2722.0653 6189.6490 300.6597 3467.5838 6223.5871 299.1339 PRESSURE: 1835800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1835800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1835800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1835800 0 0 0 0 0 0 0 0 0 TIMING: 1835800 CPU: 7335.28, 0.00394484/step Wall: 7335.28, 0.00394484/step, 0.727823 hours remaining, 114.421875 MB of memory in use. ENERGY: 1835800 677.0759 1855.5774 1944.0660 110.8947 1.3608 -1109.6610 0.0000 0.0000 2695.7889 6175.1028 297.7574 3479.3139 6208.2816 298.1693 PRESSURE: 1836000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1836000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1836000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1836000 0 0 0 0 0 0 0 0 0 TIMING: 1836000 CPU: 7336.07, 0.00393945/step Wall: 7336.07, 0.00393945/step, 0.72661 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1836000 636.8361 1810.3826 1959.7586 111.3076 0.8540 -1111.9851 0.0000 0.0000 2755.5630 6162.7166 304.3596 3407.1536 6198.7167 299.2802 PRESSURE: 1836200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1836200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1836200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1836200 0 0 0 0 0 0 0 0 0 TIMING: 1836200 CPU: 7336.86, 0.00394515/step Wall: 7336.86, 0.00394515/step, 0.727442 hours remaining, 114.421875 MB of memory in use. ENERGY: 1836200 617.6602 1845.8303 1955.5576 106.6655 1.8876 -1091.3251 0.0000 0.0000 2714.0587 6150.3346 299.7753 3436.2759 6183.5679 297.7720 LDB: ============= START OF LOAD BALANCING ============== 7339.82 LDB: ============== END OF LOAD BALANCING =============== 7339.82 LDB: =============== DONE WITH MIGRATION ================ 7339.82 LDB: ============= START OF LOAD BALANCING ============== 7340.21 LDB: ============== END OF LOAD BALANCING =============== 7340.21 LDB: =============== DONE WITH MIGRATION ================ 7340.21 PRESSURE: 1836400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1836400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1836400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1836400 0 0 0 0 0 0 0 0 0 TIMING: 1836400 CPU: 7337.65, 0.00395069/step Wall: 7337.65, 0.00395069/step, 0.728244 hours remaining, 114.421875 MB of memory in use. ENERGY: 1836400 624.7312 1808.8653 1961.3441 102.2966 2.0482 -1100.3210 0.0000 0.0000 2698.7263 6097.6908 298.0818 3398.9645 6130.9890 297.1073 PRESSURE: 1836600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1836600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1836600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1836600 0 0 0 0 0 0 0 0 0 TIMING: 1836600 CPU: 7338.44, 0.00396122/step Wall: 7338.44, 0.00396122/step, 0.729965 hours remaining, 114.421875 MB of memory in use. ENERGY: 1836600 644.2594 1827.6581 1985.1345 112.9535 1.1843 -1108.6254 0.0000 0.0000 2645.6829 6108.2472 292.2230 3462.5643 6140.7925 293.1228 PRESSURE: 1836800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1836800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1836800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1836800 0 0 0 0 0 0 0 0 0 TIMING: 1836800 CPU: 7339.23, 0.00394744/step Wall: 7339.23, 0.00394744/step, 0.727206 hours remaining, 114.421875 MB of memory in use. ENERGY: 1836800 677.7754 1877.7114 1949.1642 111.5505 1.1832 -1104.1485 0.0000 0.0000 2616.0603 6129.2966 288.9511 3513.2363 6158.7441 293.7459 PRESSURE: 1837000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1837000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1837000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1837000 0 0 0 0 0 0 0 0 0 TIMING: 1837000 CPU: 7340.02, 0.00394279/step Wall: 7340.02, 0.00394279/step, 0.72613 hours remaining, 114.421875 MB of memory in use. ENERGY: 1837000 644.0364 1784.1414 1974.9599 110.8328 1.3586 -1088.3348 0.0000 0.0000 2709.1945 6136.1887 299.2381 3426.9942 6170.6236 295.3974 PRESSURE: 1837200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1837200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1837200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1837200 0 0 0 0 0 0 0 0 0 TIMING: 1837200 CPU: 7340.81, 0.00394629/step Wall: 7340.81, 0.00394629/step, 0.726555 hours remaining, 114.421875 MB of memory in use. ENERGY: 1837200 639.0060 1813.7673 1968.9777 103.8083 1.2892 -1073.9603 0.0000 0.0000 2686.8776 6139.7658 296.7731 3452.8881 6172.9384 295.0088 PRESSURE: 1837400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1837400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1837400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1837400 0 0 0 0 0 0 0 0 0 TIMING: 1837400 CPU: 7341.6, 0.00394794/step Wall: 7341.6, 0.00394794/step, 0.726641 hours remaining, 114.421875 MB of memory in use. ENERGY: 1837400 660.0192 1871.5909 1957.5425 105.2852 1.3701 -1102.1549 0.0000 0.0000 2635.7034 6129.3565 291.1208 3493.6531 6160.6010 294.6393 PRESSURE: 1837600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1837600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1837600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1837600 0 0 0 0 0 0 0 0 0 TIMING: 1837600 CPU: 7342.39, 0.00394567/step Wall: 7342.39, 0.00394567/step, 0.726002 hours remaining, 114.421875 MB of memory in use. ENERGY: 1837600 656.4843 1810.2553 1970.5549 105.6203 1.6576 -1095.4423 0.0000 0.0000 2631.7112 6080.8413 290.6798 3449.1301 6113.4475 294.0933 PRESSURE: 1837800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1837800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1837800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1837800 0 0 0 0 0 0 0 0 0 TIMING: 1837800 CPU: 7343.17, 0.00394085/step Wall: 7343.17, 0.00394084/step, 0.724896 hours remaining, 114.421875 MB of memory in use. ENERGY: 1837800 671.0447 1753.9768 1961.1875 97.4318 0.6262 -1094.2603 0.0000 0.0000 2655.1162 6045.1229 293.2650 3390.0067 6081.0795 292.1149 PRESSURE: 1838000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1838000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1838000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1838000 0 0 0 0 0 0 0 0 0 TIMING: 1838000 CPU: 7343.96, 0.00394542/step Wall: 7343.96, 0.00394543/step, 0.72552 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1838000 645.1200 1812.4501 1982.3756 99.4025 1.5588 -1114.8287 0.0000 0.0000 2645.5665 6071.6450 292.2102 3426.0784 6102.4309 292.7253 PRESSURE: 1838200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1838200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1838200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1838200 0 0 0 0 0 0 0 0 0 TIMING: 1838200 CPU: 7344.75, 0.00394485/step Wall: 7344.75, 0.00394485/step, 0.725196 hours remaining, 114.421875 MB of memory in use. ENERGY: 1838200 646.0386 1836.2567 1977.1866 105.1598 1.2799 -1086.2123 0.0000 0.0000 2599.1409 6078.8502 287.0824 3479.7092 6108.8821 291.6220 PRESSURE: 1838400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1838400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1838400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1838400 0 0 0 0 0 0 0 0 0 TIMING: 1838400 CPU: 7345.54, 0.00394505/step Wall: 7345.54, 0.00394505/step, 0.725013 hours remaining, 114.421875 MB of memory in use. ENERGY: 1838400 603.7961 1821.9364 1952.7574 106.1471 2.1657 -1117.1974 0.0000 0.0000 2734.0295 6103.6348 301.9812 3369.6053 6138.1683 293.3743 PRESSURE: 1838600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1838600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1838600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1838600 0 0 0 0 0 0 0 0 0 TIMING: 1838600 CPU: 7346.33, 0.00394507/step Wall: 7346.33, 0.00394507/step, 0.724798 hours remaining, 114.421875 MB of memory in use. ENERGY: 1838600 681.0267 1811.7507 1968.6247 112.9980 0.3714 -1160.7898 0.0000 0.0000 2719.2944 6133.2761 300.3536 3413.9817 6167.9480 297.2860 PRESSURE: 1838800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1838800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1838800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1838800 0 0 0 0 0 0 0 0 0 TIMING: 1838800 CPU: 7347.12, 0.00393871/step Wall: 7347.12, 0.00393871/step, 0.723409 hours remaining, 114.421875 MB of memory in use. ENERGY: 1838800 664.8592 1834.9910 1979.4639 119.0749 1.8089 -1131.3717 0.0000 0.0000 2644.2873 6113.1135 292.0689 3468.8262 6145.7405 296.3379 PRESSURE: 1839000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1839000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1839000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1839000 0 0 0 0 0 0 0 0 0 TIMING: 1839000 CPU: 7347.91, 0.00394408/step Wall: 7347.91, 0.00394409/step, 0.724179 hours remaining, 114.421875 MB of memory in use. ENERGY: 1839000 668.2777 1824.5907 1943.1159 109.1654 1.4250 -1082.7974 0.0000 0.0000 2688.1621 6151.9394 296.9150 3463.7772 6184.6276 297.1920 PRESSURE: 1839200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1839200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1839200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1839200 0 0 0 0 0 0 0 0 0 TIMING: 1839200 CPU: 7348.7, 0.00394495/step Wall: 7348.7, 0.00394495/step, 0.724118 hours remaining, 114.421875 MB of memory in use. ENERGY: 1839200 654.6073 1845.6782 1980.6306 127.4409 0.8224 -1068.9036 0.0000 0.0000 2672.0715 6212.3474 295.1377 3540.2758 6243.2779 299.4427 PRESSURE: 1839400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1839400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1839400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1839400 0 0 0 0 0 0 0 0 0 TIMING: 1839400 CPU: 7349.48, 0.00394595/step Wall: 7349.48, 0.00394595/step, 0.724081 hours remaining, 114.421875 MB of memory in use. ENERGY: 1839400 666.3364 1872.7962 1976.3289 103.2631 2.5125 -1107.5234 0.0000 0.0000 2736.3080 6250.0217 302.2328 3513.7137 6281.8207 301.5970 PRESSURE: 1839600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1839600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1839600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1839600 0 0 0 0 0 0 0 0 0 TIMING: 1839600 CPU: 7350.27, 0.00394619/step Wall: 7350.27, 0.00394619/step, 0.723906 hours remaining, 114.421875 MB of memory in use. ENERGY: 1839600 678.4888 1894.2072 1955.9249 101.5808 3.1192 -1064.1416 0.0000 0.0000 2696.9808 6266.1600 297.8890 3569.1793 6296.9663 300.4266 PRESSURE: 1839800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1839800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1839800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1839800 0 0 0 0 0 0 0 0 0 TIMING: 1839800 CPU: 7351.06, 0.00394106/step Wall: 7351.06, 0.00394106/step, 0.722746 hours remaining, 114.421875 MB of memory in use. ENERGY: 1839800 700.9894 1882.8596 1962.4538 99.0973 0.8833 -1094.4223 0.0000 0.0000 2725.4842 6277.3453 301.0373 3551.8611 6309.9662 301.6812 PRESSURE: 1840000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1840000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1840000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1840000 0 0 0 0 0 0 0 0 0 TIMING: 1840000 CPU: 7351.85, 0.00394586/step Wall: 7351.85, 0.00394586/step, 0.723408 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1840000 666.7431 1901.0622 1965.9750 104.5385 0.5736 -1107.7165 0.0000 0.0000 2788.3515 6319.5274 307.9812 3531.1759 6354.1283 304.3189 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1840000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1840000 WRITING COORDINATES TO RESTART FILE AT STEP 1840000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1840000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1840200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1840200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1840200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1840200 0 0 0 0 0 0 0 0 0 TIMING: 1840200 CPU: 7352.67, 0.00409873/step Wall: 7352.67, 0.00409873/step, 0.751207 hours remaining, 114.421875 MB of memory in use. ENERGY: 1840200 649.4713 1908.8230 1972.1478 102.0034 1.7120 -1081.1601 0.0000 0.0000 2726.9595 6279.9569 301.2003 3552.9974 6309.1153 304.5586 LDB: ============= START OF LOAD BALANCING ============== 7355.63 LDB: ============== END OF LOAD BALANCING =============== 7355.63 LDB: =============== DONE WITH MIGRATION ================ 7355.63 LDB: ============= START OF LOAD BALANCING ============== 7356.03 LDB: ============== END OF LOAD BALANCING =============== 7356.03 LDB: =============== DONE WITH MIGRATION ================ 7356.03 PRESSURE: 1840400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1840400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1840400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1840400 0 0 0 0 0 0 0 0 0 TIMING: 1840400 CPU: 7353.46, 0.00395056/step Wall: 7353.46, 0.00395056/step, 0.72383 hours remaining, 114.421875 MB of memory in use. ENERGY: 1840400 638.7391 1822.0636 2003.4958 105.0901 0.5550 -1095.2703 0.0000 0.0000 2764.5128 6239.1861 305.3481 3474.6733 6274.1602 302.9356 PRESSURE: 1840600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1840600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1840600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1840600 0 0 0 0 0 0 0 0 0 TIMING: 1840600 CPU: 7354.25, 0.00394522/step Wall: 7354.25, 0.00394522/step, 0.722633 hours remaining, 114.421875 MB of memory in use. ENERGY: 1840600 655.9872 1789.2068 1977.9772 105.4195 0.9942 -1065.0757 0.0000 0.0000 2707.5914 6172.1006 299.0610 3464.5092 6203.7668 299.6326 PRESSURE: 1840800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1840800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1840800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1840800 0 0 0 0 0 0 0 0 0 TIMING: 1840800 CPU: 7355.04, 0.00394065/step Wall: 7355.04, 0.00394065/step, 0.721576 hours remaining, 114.421875 MB of memory in use. ENERGY: 1840800 636.8576 1864.0355 1985.1040 98.5084 1.6469 -1069.7709 0.0000 0.0000 2602.9622 6119.3437 287.5044 3516.3815 6151.6502 296.4846 PRESSURE: 1841000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1841000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1841000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1841000 0 0 0 0 0 0 0 0 0 TIMING: 1841000 CPU: 7355.83, 0.00394646/step Wall: 7355.83, 0.00394645/step, 0.72242 hours remaining, 114.421875 MB of memory in use. ENERGY: 1841000 652.0655 1756.6398 1966.4282 119.3206 2.1681 -1049.3196 0.0000 0.0000 2707.7447 6155.0473 299.0779 3447.3025 6187.4489 296.2321 PRESSURE: 1841200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1841200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1841200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1841200 0 0 0 0 0 0 0 0 0 TIMING: 1841200 CPU: 7356.62, 0.00394659/step Wall: 7356.62, 0.0039466/step, 0.722227 hours remaining, 114.421875 MB of memory in use. ENERGY: 1841200 647.9162 1832.9566 1943.8477 109.5106 0.5903 -1073.6007 0.0000 0.0000 2641.5700 6102.7907 291.7688 3461.2206 6134.6242 295.4110 PRESSURE: 1841400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1841400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1841400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1841400 0 0 0 0 0 0 0 0 0 TIMING: 1841400 CPU: 7357.41, 0.00394665/step Wall: 7357.41, 0.00394665/step, 0.722017 hours remaining, 114.421875 MB of memory in use. ENERGY: 1841400 648.0139 1845.1447 1966.7682 97.2667 0.4265 -1106.1976 0.0000 0.0000 2688.3505 6139.7730 296.9358 3451.4225 6171.9456 294.5815 PRESSURE: 1841600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1841600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1841600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1841600 0 0 0 0 0 0 0 0 0 TIMING: 1841600 CPU: 7358.19, 0.0039424/step Wall: 7358.19, 0.0039424/step, 0.721021 hours remaining, 114.421875 MB of memory in use. ENERGY: 1841600 632.6157 1789.4941 1971.0479 105.7567 1.3684 -1089.1312 0.0000 0.0000 2695.5463 6106.6978 297.7306 3411.1516 6141.6647 295.6062 PRESSURE: 1841800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1841800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1841800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1841800 0 0 0 0 0 0 0 0 0 TIMING: 1841800 CPU: 7358.98, 0.00394723/step Wall: 7358.98, 0.00394723/step, 0.721686 hours remaining, 114.421875 MB of memory in use. ENERGY: 1841800 626.2404 1836.1545 1987.1248 102.8880 1.1453 -1093.3315 0.0000 0.0000 2671.2488 6131.4703 295.0469 3460.2215 6165.5486 294.8859 PRESSURE: 1842000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1842000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1842000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1842000 0 0 0 0 0 0 0 0 0 TIMING: 1842000 CPU: 7359.77, 0.00394771/step Wall: 7359.77, 0.00394771/step, 0.721553 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1842000 639.8259 1851.8600 2011.0807 92.0570 1.6613 -1078.5417 0.0000 0.0000 2661.6274 6179.5706 293.9842 3517.9431 6212.6900 295.1971 PRESSURE: 1842200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1842200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1842200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1842200 0 0 0 0 0 0 0 0 0 TIMING: 1842200 CPU: 7360.56, 0.00394728/step Wall: 7360.56, 0.00394728/step, 0.721256 hours remaining, 114.421875 MB of memory in use. ENERGY: 1842200 635.1198 1826.5473 1980.4392 92.3227 1.6649 -1080.7127 0.0000 0.0000 2691.5893 6146.9704 297.2935 3455.3811 6178.7292 296.0838 PRESSURE: 1842400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1842400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1842400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1842400 0 0 0 0 0 0 0 0 0 TIMING: 1842400 CPU: 7361.35, 0.00394734/step Wall: 7361.35, 0.00394734/step, 0.721047 hours remaining, 114.421875 MB of memory in use. ENERGY: 1842400 659.1348 1765.8710 1984.4442 109.2162 1.7480 -1086.7151 0.0000 0.0000 2692.8629 6126.5620 297.4342 3433.6991 6157.0985 294.9111 PRESSURE: 1842600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1842600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1842600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1842600 0 0 0 0 0 0 0 0 0 TIMING: 1842600 CPU: 7362.14, 0.00394105/step Wall: 7362.14, 0.00394105/step, 0.719679 hours remaining, 114.421875 MB of memory in use. ENERGY: 1842600 651.9919 1802.3102 1979.0573 108.8813 0.8729 -1107.1923 0.0000 0.0000 2741.6856 6177.6069 302.8268 3435.9212 6212.0797 297.0348 PRESSURE: 1842800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1842800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1842800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1842800 0 0 0 0 0 0 0 0 0 TIMING: 1842800 CPU: 7362.93, 0.00394568/step Wall: 7362.93, 0.00394568/step, 0.720307 hours remaining, 114.421875 MB of memory in use. ENERGY: 1842800 643.0579 1811.0705 1977.7805 108.1720 0.9808 -1064.7146 0.0000 0.0000 2683.7547 6160.1018 296.4282 3476.3471 6193.6362 295.8501 PRESSURE: 1843000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1843000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1843000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1843000 0 0 0 0 0 0 0 0 0 TIMING: 1843000 CPU: 7363.72, 0.00394876/step Wall: 7363.72, 0.00394876/step, 0.72065 hours remaining, 114.421875 MB of memory in use. ENERGY: 1843000 690.0123 1865.1136 1951.4524 106.8457 -0.4337 -1091.2113 0.0000 0.0000 2652.0001 6173.7791 292.9208 3521.7790 6205.0403 295.4065 PRESSURE: 1843200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1843200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1843200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1843200 0 0 0 0 0 0 0 0 0 TIMING: 1843200 CPU: 7364.51, 0.00396057/step Wall: 7364.51, 0.00396057/step, 0.722585 hours remaining, 114.421875 MB of memory in use. ENERGY: 1843200 644.9272 1856.4141 1949.5650 113.6682 1.1932 -1060.6352 0.0000 0.0000 2698.6851 6203.8177 298.0773 3505.1325 6236.1986 298.4122 PRESSURE: 1843400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1843400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1843400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1843400 0 0 0 0 0 0 0 0 0 TIMING: 1843400 CPU: 7365.3, 0.00396214/step Wall: 7365.3, 0.00396214/step, 0.722651 hours remaining, 114.421875 MB of memory in use. ENERGY: 1843400 651.9346 1868.0623 1985.5196 108.1498 -0.5363 -1080.5160 0.0000 0.0000 2701.8485 6234.4624 298.4267 3532.6139 6265.3768 300.3329 PRESSURE: 1843600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1843600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1843600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1843600 0 0 0 0 0 0 0 0 0 TIMING: 1843600 CPU: 7366.09, 0.00394906/step Wall: 7366.09, 0.00394906/step, 0.720044 hours remaining, 114.421875 MB of memory in use. ENERGY: 1843600 651.4448 1840.0092 2009.4433 103.0771 0.5464 -1065.7078 0.0000 0.0000 2687.0459 6225.8588 296.7917 3538.8129 6259.7297 299.9505 PRESSURE: 1843800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1843800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1843800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1843800 0 0 0 0 0 0 0 0 0 TIMING: 1843800 CPU: 7366.88, 0.00394677/step Wall: 7366.88, 0.00394677/step, 0.719409 hours remaining, 114.421875 MB of memory in use. ENERGY: 1843800 652.2892 1856.5592 1982.0094 107.8840 0.6220 -1072.9131 0.0000 0.0000 2698.4983 6224.9489 298.0567 3526.4507 6256.5252 300.6960 PRESSURE: 1844000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1844000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1844000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1844000 0 0 0 0 0 0 0 0 0 TIMING: 1844000 CPU: 7367.67, 0.00394639/step Wall: 7367.67, 0.00394639/step, 0.71912 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1844000 685.9725 1843.4685 1934.8630 111.3704 0.1347 -1063.9581 0.0000 0.0000 2726.5953 6238.4463 301.1600 3511.8510 6273.4103 300.1240 PRESSURE: 1844200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1844200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1844200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1844200 0 0 0 0 0 0 0 0 0 TIMING: 1844200 CPU: 7368.46, 0.0039442/step Wall: 7368.46, 0.0039442/step, 0.718501 hours remaining, 114.421875 MB of memory in use. ENERGY: 1844200 665.8502 1865.6109 1983.9862 106.3219 0.9367 -1090.4345 0.0000 0.0000 2745.6782 6277.9496 303.2678 3532.2714 6310.9936 300.6308 LDB: ============= START OF LOAD BALANCING ============== 7371.42 LDB: ============== END OF LOAD BALANCING =============== 7371.42 LDB: =============== DONE WITH MIGRATION ================ 7371.42 LDB: ============= START OF LOAD BALANCING ============== 7371.81 LDB: ============== END OF LOAD BALANCING =============== 7371.81 LDB: =============== DONE WITH MIGRATION ================ 7371.81 PRESSURE: 1844400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1844400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1844400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1844400 0 0 0 0 0 0 0 0 0 TIMING: 1844400 CPU: 7369.25, 0.00394516/step Wall: 7369.25, 0.00394516/step, 0.718458 hours remaining, 114.421875 MB of memory in use. ENERGY: 1844400 673.2562 1869.9309 1985.4886 112.0473 0.6330 -1063.9267 0.0000 0.0000 2656.8478 6234.2772 293.4562 3577.4294 6265.5691 301.4889 PRESSURE: 1844600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1844600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1844600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1844600 0 0 0 0 0 0 0 0 0 TIMING: 1844600 CPU: 7370.04, 0.00394261/step Wall: 7370.04, 0.00394261/step, 0.717774 hours remaining, 114.421875 MB of memory in use. ENERGY: 1844600 660.8670 1820.0039 1966.3667 109.9576 -0.4320 -1032.1138 0.0000 0.0000 2655.3731 6180.0224 293.2934 3524.6494 6209.7056 299.2111 PRESSURE: 1844800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1844800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1844800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1844800 0 0 0 0 0 0 0 0 0 TIMING: 1844800 CPU: 7370.83, 0.0039443/step Wall: 7370.83, 0.0039443/step, 0.717862 hours remaining, 114.421875 MB of memory in use. ENERGY: 1844800 669.3088 1850.8671 1943.3300 97.5239 0.8249 -1036.6899 0.0000 0.0000 2678.2539 6203.4186 295.8206 3525.1648 6236.7481 297.9058 PRESSURE: 1845000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1845000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1845000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1845000 0 0 0 0 0 0 0 0 0 TIMING: 1845000 CPU: 7371.62, 0.0039451/step Wall: 7371.62, 0.0039451/step, 0.717789 hours remaining, 114.421875 MB of memory in use. ENERGY: 1845000 676.1850 1844.9901 1952.5651 115.2864 0.7436 -1066.3510 0.0000 0.0000 2693.2372 6216.6563 297.4756 3523.4191 6249.7943 298.7708 PRESSURE: 1845200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1845200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1845200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1845200 0 0 0 0 0 0 0 0 0 TIMING: 1845200 CPU: 7372.41, 0.00394338/step Wall: 7372.41, 0.00394338/step, 0.717257 hours remaining, 114.421875 MB of memory in use. ENERGY: 1845200 615.3766 1801.6044 1946.1664 110.1540 0.8993 -1048.7351 0.0000 0.0000 2738.3895 6163.8550 302.4628 3425.4655 6196.7817 297.1999 PRESSURE: 1845400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1845400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1845400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1845400 0 0 0 0 0 0 0 0 0 TIMING: 1845400 CPU: 7373.19, 0.00394047/step Wall: 7373.19, 0.00394047/step, 0.716508 hours remaining, 114.421875 MB of memory in use. ENERGY: 1845400 635.7806 1832.8006 1975.3770 99.9086 0.4530 -1071.7242 0.0000 0.0000 2689.8066 6162.4022 297.0966 3472.5956 6196.3716 296.5763 PRESSURE: 1845600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1845600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1845600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1845600 0 0 0 0 0 0 0 0 0 TIMING: 1845600 CPU: 7373.98, 0.00394438/step Wall: 7373.98, 0.00394438/step, 0.717001 hours remaining, 114.421875 MB of memory in use. ENERGY: 1845600 655.5757 1873.6410 1996.1813 103.5440 0.7747 -1096.1522 0.0000 0.0000 2668.1767 6201.7412 294.7076 3533.5645 6233.5695 299.0583 PRESSURE: 1845800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1845800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1845800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1845800 0 0 0 0 0 0 0 0 0 TIMING: 1845800 CPU: 7374.77, 0.00394669/step Wall: 7374.77, 0.00394669/step, 0.717201 hours remaining, 114.421875 MB of memory in use. ENERGY: 1845800 657.0316 1868.2533 1966.7222 111.9364 1.1994 -1106.6309 0.0000 0.0000 2669.8631 6168.3751 294.8938 3498.5120 6199.1164 298.2285 PRESSURE: 1846000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1846000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1846000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1846000 0 0 0 0 0 0 0 0 0 TIMING: 1846000 CPU: 7375.56, 0.003947/step Wall: 7375.56, 0.003947/step, 0.717038 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1846000 628.2551 1830.7591 1993.2813 107.8942 1.3075 -1096.2770 0.0000 0.0000 2714.7213 6179.9414 299.8485 3465.2201 6213.3889 297.4740 PRESSURE: 1846200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1846200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1846200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1846200 0 0 0 0 0 0 0 0 0 TIMING: 1846200 CPU: 7376.35, 0.00394568/step Wall: 7376.35, 0.00394568/step, 0.71658 hours remaining, 114.421875 MB of memory in use. ENERGY: 1846200 623.2205 1874.7751 1956.7877 107.2195 0.4859 -1076.2124 0.0000 0.0000 2674.0406 6160.3169 295.3552 3486.2763 6191.8423 297.8368 PRESSURE: 1846400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1846400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1846400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1846400 0 0 0 0 0 0 0 0 0 TIMING: 1846400 CPU: 7377.14, 0.00394082/step Wall: 7377.14, 0.00394082/step, 0.715478 hours remaining, 114.421875 MB of memory in use. ENERGY: 1846400 659.9423 1836.1766 1953.5989 101.2763 0.4155 -1085.5676 0.0000 0.0000 2720.8034 6186.6454 300.5203 3465.8420 6220.6178 296.5657 PRESSURE: 1846600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1846600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1846600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1846600 0 0 0 0 0 0 0 0 0 TIMING: 1846600 CPU: 7377.93, 0.00394558/step Wall: 7377.93, 0.00394558/step, 0.716124 hours remaining, 114.421875 MB of memory in use. ENERGY: 1846600 655.7249 1874.2733 1954.0839 103.7866 -0.0847 -1072.3962 0.0000 0.0000 2687.9714 6203.3593 296.8939 3515.3879 6235.8347 299.2124 PRESSURE: 1846800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1846800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1846800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1846800 0 0 0 0 0 0 0 0 0 TIMING: 1846800 CPU: 7378.72, 0.00396116/step Wall: 7378.72, 0.00396116/step, 0.718731 hours remaining, 114.421875 MB of memory in use. ENERGY: 1846800 655.7958 1874.3083 1974.4778 107.4235 0.9694 -1098.6148 0.0000 0.0000 2773.9731 6288.3333 306.3931 3514.3601 6323.1728 299.2140 PRESSURE: 1847000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1847000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1847000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1847000 0 0 0 0 0 0 0 0 0 TIMING: 1847000 CPU: 7379.51, 0.00394673/step Wall: 7379.51, 0.00394673/step, 0.715894 hours remaining, 114.421875 MB of memory in use. ENERGY: 1847000 667.3978 1862.9021 1972.5824 109.5188 0.4480 -1070.2031 0.0000 0.0000 2747.2810 6289.9270 303.4448 3542.6461 6325.0744 304.6285 PRESSURE: 1847200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1847200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1847200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1847200 0 0 0 0 0 0 0 0 0 TIMING: 1847200 CPU: 7380.3, 0.00394679/step Wall: 7380.3, 0.00394679/step, 0.715685 hours remaining, 114.421875 MB of memory in use. ENERGY: 1847200 648.2570 1875.1706 1973.9239 119.4136 -0.4199 -1088.9577 0.0000 0.0000 2784.4531 6311.8405 307.5506 3527.3874 6349.0087 303.2185 PRESSURE: 1847400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1847400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1847400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1847400 0 0 0 0 0 0 0 0 0 TIMING: 1847400 CPU: 7381.09, 0.00394151/step Wall: 7381.09, 0.00394151/step, 0.714508 hours remaining, 114.421875 MB of memory in use. ENERGY: 1847400 711.9996 1841.1335 1968.9815 102.5366 1.1492 -1083.1620 0.0000 0.0000 2815.0913 6357.7297 310.9347 3542.6384 6393.9818 306.5113 PRESSURE: 1847600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1847600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1847600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1847600 0 0 0 0 0 0 0 0 0 TIMING: 1847600 CPU: 7381.88, 0.00394698/step Wall: 7381.88, 0.00394698/step, 0.715281 hours remaining, 114.421875 MB of memory in use. ENERGY: 1847600 702.6111 1881.7644 1995.7818 102.1765 -1.0386 -1080.9668 0.0000 0.0000 2792.2401 6392.5685 308.4107 3600.3284 6424.8155 308.5845 PRESSURE: 1847800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1847800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1847800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1847800 0 0 0 0 0 0 0 0 0 TIMING: 1847800 CPU: 7382.67, 0.00394577/step Wall: 7382.67, 0.00394577/step, 0.714841 hours remaining, 114.421875 MB of memory in use. ENERGY: 1847800 710.2104 1799.0556 1971.2408 100.3143 0.3271 -1040.9497 0.0000 0.0000 2767.2652 6307.4636 305.6521 3540.1984 6339.7858 306.5116 PRESSURE: 1848000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1848000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1848000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1848000 0 0 0 0 0 0 0 0 0 TIMING: 1848000 CPU: 7383.45, 0.00394537/step Wall: 7383.45, 0.00394537/step, 0.71455 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1848000 671.6864 1899.6425 1938.6872 115.3227 -0.9677 -1076.8684 0.0000 0.0000 2736.5847 6284.0874 302.2634 3547.5027 6314.2571 305.1340 PRESSURE: 1848200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1848200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1848200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1848200 0 0 0 0 0 0 0 0 0 TIMING: 1848200 CPU: 7384.24, 0.00393951/step Wall: 7384.24, 0.00393951/step, 0.71327 hours remaining, 114.421875 MB of memory in use. ENERGY: 1848200 682.5500 1876.0668 1943.7079 107.4539 -0.0113 -1074.1100 0.0000 0.0000 2764.7100 6300.3675 305.3699 3535.6575 6333.6072 305.4825 LDB: ============= START OF LOAD BALANCING ============== 7387.2 LDB: ============== END OF LOAD BALANCING =============== 7387.2 LDB: =============== DONE WITH MIGRATION ================ 7387.2 LDB: ============= START OF LOAD BALANCING ============== 7387.6 LDB: ============== END OF LOAD BALANCING =============== 7387.6 LDB: =============== DONE WITH MIGRATION ================ 7387.6 PRESSURE: 1848400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1848400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1848400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1848400 0 0 0 0 0 0 0 0 0 TIMING: 1848400 CPU: 7385.03, 0.00394989/step Wall: 7385.03, 0.00394989/step, 0.714929 hours remaining, 114.421875 MB of memory in use. ENERGY: 1848400 648.3022 1881.1654 1920.4252 108.8552 1.2276 -1081.9328 0.0000 0.0000 2791.7407 6269.7835 308.3555 3478.0428 6303.3062 303.1320 PRESSURE: 1848600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1848600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1848600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1848600 0 0 0 0 0 0 0 0 0 TIMING: 1848600 CPU: 7385.82, 0.00394597/step Wall: 7385.82, 0.00394597/step, 0.714001 hours remaining, 114.421875 MB of memory in use. ENERGY: 1848600 664.8057 1857.1782 1984.2532 103.6486 0.3669 -1052.9114 0.0000 0.0000 2712.4486 6269.7898 299.5975 3557.3412 6303.5618 302.8910 PRESSURE: 1848800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1848800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1848800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1848800 0 0 0 0 0 0 0 0 0 TIMING: 1848800 CPU: 7386.61, 0.00394437/step Wall: 7386.61, 0.00394437/step, 0.713492 hours remaining, 114.421875 MB of memory in use. ENERGY: 1848800 666.0149 1836.0201 1979.3625 110.8365 -0.3026 -1058.8493 0.0000 0.0000 2750.9165 6283.9986 303.8464 3533.0821 6313.7985 301.8958 PRESSURE: 1849000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1849000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1849000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1849000 0 0 0 0 0 0 0 0 0 TIMING: 1849000 CPU: 7387.4, 0.00394637/step Wall: 7387.4, 0.00394637/step, 0.713634 hours remaining, 114.421875 MB of memory in use. ENERGY: 1849000 656.4955 1850.4656 1966.9055 102.2426 1.6025 -1066.8770 0.0000 0.0000 2757.4093 6268.2439 304.5635 3510.8345 6299.0313 303.9953 PRESSURE: 1849200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1849200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1849200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1849200 0 0 0 0 0 0 0 0 0 TIMING: 1849200 CPU: 7388.19, 0.00394177/step Wall: 7388.19, 0.00394177/step, 0.712584 hours remaining, 114.421875 MB of memory in use. ENERGY: 1849200 614.3912 1823.4181 1960.9120 112.2461 1.3865 -1109.4094 0.0000 0.0000 2742.4676 6145.4120 302.9132 3402.9444 6179.5634 298.4311 PRESSURE: 1849400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1849400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1849400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1849400 0 0 0 0 0 0 0 0 0 TIMING: 1849400 CPU: 7388.98, 0.0039459/step Wall: 7388.98, 0.0039459/step, 0.713111 hours remaining, 114.421875 MB of memory in use. ENERGY: 1849400 624.4675 1828.3449 1997.2869 106.9836 -0.1135 -1107.5723 0.0000 0.0000 2663.7032 6113.1004 294.2134 3449.3971 6141.8156 295.0344 PRESSURE: 1849600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1849600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1849600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1849600 0 0 0 0 0 0 0 0 0 TIMING: 1849600 CPU: 7389.77, 0.0039467/step Wall: 7389.77, 0.0039467/step, 0.713038 hours remaining, 114.421875 MB of memory in use. ENERGY: 1849600 656.9546 1779.5487 1973.8727 110.4397 -1.7347 -1140.0594 0.0000 0.0000 2739.5259 6118.5475 302.5883 3379.0216 6154.4807 296.3396 PRESSURE: 1849800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1849800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1849800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1849800 0 0 0 0 0 0 0 0 0 TIMING: 1849800 CPU: 7390.56, 0.00394727/step Wall: 7390.56, 0.00394727/step, 0.712922 hours remaining, 114.421875 MB of memory in use. ENERGY: 1849800 655.7208 1819.9603 1979.7602 114.0248 -0.5419 -1098.3287 0.0000 0.0000 2707.5688 6178.1641 299.0585 3470.5954 6211.6795 296.7647 PRESSURE: 1850000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1850000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1850000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1850000 0 0 0 0 0 0 0 0 0 TIMING: 1850000 CPU: 7391.35, 0.00394906/step Wall: 7391.35, 0.00394905/step, 0.713024 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1850000 651.1338 1794.8872 1997.7278 119.0732 0.5852 -1090.3777 0.0000 0.0000 2750.9848 6224.0143 303.8539 3473.0295 6260.9570 298.8513 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1850000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1850000 WRITING COORDINATES TO RESTART FILE AT STEP 1850000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1850000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1850200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1850200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1850200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1850200 0 0 0 0 0 0 0 0 0 TIMING: 1850200 CPU: 7392.17, 0.00411542/step Wall: 7392.17, 0.00411543/step, 0.742834 hours remaining, 114.421875 MB of memory in use. ENERGY: 1850200 654.3165 1881.2451 1965.2485 106.6667 1.1525 -1102.3198 0.0000 0.0000 2716.2033 6222.5126 300.0122 3506.3094 6255.1818 300.4012 PRESSURE: 1850400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1850400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1850400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1850400 0 0 0 0 0 0 0 0 0 TIMING: 1850400 CPU: 7392.96, 0.00394745/step Wall: 7392.96, 0.00394745/step, 0.712295 hours remaining, 114.421875 MB of memory in use. ENERGY: 1850400 656.2510 1870.3106 1968.3896 94.2757 0.0961 -1096.3507 0.0000 0.0000 2748.9558 6241.9281 303.6298 3492.9723 6273.9830 300.5438 PRESSURE: 1850600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1850600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1850600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1850600 0 0 0 0 0 0 0 0 0 TIMING: 1850600 CPU: 7393.75, 0.00394578/step Wall: 7393.75, 0.00394578/step, 0.711776 hours remaining, 114.421875 MB of memory in use. ENERGY: 1850600 633.8452 1888.0933 1993.8551 114.8477 -0.4254 -1086.2737 0.0000 0.0000 2661.8742 6205.8165 294.0114 3543.9424 6237.2735 300.6479 PRESSURE: 1850800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1850800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1850800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1850800 0 0 0 0 0 0 0 0 0 TIMING: 1850800 CPU: 7394.54, 0.00394688/step Wall: 7394.54, 0.00394688/step, 0.711755 hours remaining, 114.421875 MB of memory in use. ENERGY: 1850800 625.1104 1894.5629 1983.2530 98.9933 1.0210 -1102.6820 0.0000 0.0000 2726.5690 6226.8277 301.1571 3500.2586 6261.7479 300.1985 PRESSURE: 1851000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1851000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1851000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1851000 0 0 0 0 0 0 0 0 0 TIMING: 1851000 CPU: 7395.33, 0.003947/step Wall: 7395.33, 0.003947/step, 0.711556 hours remaining, 114.421875 MB of memory in use. ENERGY: 1851000 650.3810 1862.8952 1953.4816 103.2215 -0.4735 -1085.7757 0.0000 0.0000 2727.6711 6211.4013 301.2789 3483.7302 6245.8791 299.9602 PRESSURE: 1851200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1851200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1851200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1851200 0 0 0 0 0 0 0 0 0 TIMING: 1851200 CPU: 7396.11, 0.00393982/step Wall: 7396.11, 0.00393982/step, 0.710043 hours remaining, 114.421875 MB of memory in use. ENERGY: 1851200 661.8511 1830.2524 1987.0633 119.1873 -1.1814 -1108.1630 0.0000 0.0000 2741.1630 6230.1727 302.7691 3489.0096 6267.3015 301.1912 PRESSURE: 1851400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1851400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1851400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1851400 0 0 0 0 0 0 0 0 0 TIMING: 1851400 CPU: 7396.9, 0.00394457/step Wall: 7396.9, 0.00394457/step, 0.710679 hours remaining, 114.421875 MB of memory in use. ENERGY: 1851400 662.4560 1798.2640 1970.4256 116.5937 -0.6979 -1068.9985 0.0000 0.0000 2753.9958 6232.0386 304.1865 3478.0429 6266.3713 299.3565 PRESSURE: 1851600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1851600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1851600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1851600 0 0 0 0 0 0 0 0 0 TIMING: 1851600 CPU: 7397.69, 0.00394757/step Wall: 7397.69, 0.00394757/step, 0.711 hours remaining, 114.421875 MB of memory in use. ENERGY: 1851600 658.4348 1839.8755 1972.1228 106.2420 -0.6900 -1036.1905 0.0000 0.0000 2675.0553 6214.8500 295.4673 3539.7948 6247.6359 299.7892 PRESSURE: 1851800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1851800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1851800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1851800 0 0 0 0 0 0 0 0 0 TIMING: 1851800 CPU: 7398.48, 0.00394585/step Wall: 7398.48, 0.00394585/step, 0.710472 hours remaining, 114.421875 MB of memory in use. ENERGY: 1851800 638.6703 1793.6724 1981.1604 109.2974 1.7511 -1026.8705 0.0000 0.0000 2658.8910 6156.5721 293.6819 3497.6811 6191.3311 296.0020 PRESSURE: 1852000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1852000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1852000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1852000 0 0 0 0 0 0 0 0 0 TIMING: 1852000 CPU: 7399.27, 0.00394216/step Wall: 7399.27, 0.00394216/step, 0.70959 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1852000 614.9654 1850.1353 1940.9058 102.4056 0.3504 -1058.0630 0.0000 0.0000 2735.8614 6186.5607 302.1835 3450.6994 6219.0081 295.6897 PRESSURE: 1852200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1852200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1852200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1852200 0 0 0 0 0 0 0 0 0 TIMING: 1852200 CPU: 7400.06, 0.00394704/step Wall: 7400.06, 0.00394704/step, 0.710247 hours remaining, 114.421875 MB of memory in use. ENERGY: 1852200 664.4019 1791.5667 1998.6633 119.6024 0.6117 -1062.2104 0.0000 0.0000 2679.8890 6192.5247 296.0012 3512.6357 6224.4769 296.6758 LDB: ============= START OF LOAD BALANCING ============== 7403.02 LDB: ============== END OF LOAD BALANCING =============== 7403.02 LDB: =============== DONE WITH MIGRATION ================ 7403.02 LDB: ============= START OF LOAD BALANCING ============== 7403.41 LDB: ============== END OF LOAD BALANCING =============== 7403.41 LDB: =============== DONE WITH MIGRATION ================ 7403.41 PRESSURE: 1852400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1852400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1852400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1852400 0 0 0 0 0 0 0 0 0 TIMING: 1852400 CPU: 7400.85, 0.00394913/step Wall: 7400.85, 0.00394913/step, 0.710405 hours remaining, 114.421875 MB of memory in use. ENERGY: 1852400 665.0845 1811.8924 1971.8784 115.9050 -0.7968 -1086.4664 0.0000 0.0000 2710.9054 6188.4026 299.4271 3477.4972 6219.5013 298.3046 PRESSURE: 1852600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1852600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1852600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1852600 0 0 0 0 0 0 0 0 0 TIMING: 1852600 CPU: 7401.64, 0.00394634/step Wall: 7401.64, 0.00394634/step, 0.709684 hours remaining, 114.421875 MB of memory in use. ENERGY: 1852600 618.8835 1830.1055 1990.2396 111.8695 -0.8388 -1027.4576 0.0000 0.0000 2684.7588 6207.5606 296.5391 3522.8018 6238.5901 298.3046 PRESSURE: 1852800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1852800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1852800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1852800 0 0 0 0 0 0 0 0 0 TIMING: 1852800 CPU: 7402.43, 0.00394668/step Wall: 7402.43, 0.00394668/step, 0.709524 hours remaining, 114.421875 MB of memory in use. ENERGY: 1852800 635.8490 1863.6369 1972.4783 105.9649 -1.1397 -1056.4362 0.0000 0.0000 2739.8364 6260.1896 302.6226 3520.3533 6293.9593 300.1016 PRESSURE: 1853000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1853000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1853000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1853000 0 0 0 0 0 0 0 0 0 TIMING: 1853000 CPU: 7403.22, 0.00394257/step Wall: 7403.22, 0.00394257/step, 0.708567 hours remaining, 114.421875 MB of memory in use. ENERGY: 1853000 679.7735 1834.3400 1980.2794 113.9543 -0.1126 -1104.1591 0.0000 0.0000 2703.6372 6207.7128 298.6243 3504.0756 6241.2647 298.8665 PRESSURE: 1853200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1853200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1853200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1853200 0 0 0 0 0 0 0 0 0 TIMING: 1853200 CPU: 7404.01, 0.00394626/step Wall: 7404.01, 0.00394627/step, 0.709013 hours remaining, 114.421875 MB of memory in use. ENERGY: 1853200 655.5245 1838.5449 1954.5539 115.6662 0.2721 -1058.1561 0.0000 0.0000 2764.7390 6271.1445 305.3731 3506.4055 6305.7541 299.0279 PRESSURE: 1853400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1853400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1853400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1853400 0 0 0 0 0 0 0 0 0 TIMING: 1853400 CPU: 7404.8, 0.00394667/step Wall: 7404.8, 0.00394667/step, 0.708865 hours remaining, 114.421875 MB of memory in use. ENERGY: 1853400 643.4437 1839.5837 1950.6289 100.9037 0.1545 -1093.5081 0.0000 0.0000 2774.4830 6215.6893 306.4494 3441.2063 6249.8013 302.7313 PRESSURE: 1853600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1853600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1853600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1853600 0 0 0 0 0 0 0 0 0 TIMING: 1853600 CPU: 7405.58, 0.00394556/step Wall: 7405.58, 0.00394556/step, 0.708447 hours remaining, 114.421875 MB of memory in use. ENERGY: 1853600 662.2280 1845.3581 1980.8558 113.0518 0.3814 -1132.6374 0.0000 0.0000 2761.8132 6231.0509 305.0500 3469.2377 6265.0979 300.2751 PRESSURE: 1853800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1853800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1853800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1853800 0 0 0 0 0 0 0 0 0 TIMING: 1853800 CPU: 7406.37, 0.00394737/step Wall: 7406.37, 0.00394737/step, 0.708553 hours remaining, 114.421875 MB of memory in use. ENERGY: 1853800 656.5276 1839.2370 1976.9066 116.2525 -0.0628 -1082.7693 0.0000 0.0000 2731.6446 6237.7362 301.7178 3506.0916 6273.0341 300.1430 PRESSURE: 1854000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1854000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1854000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1854000 0 0 0 0 0 0 0 0 0 TIMING: 1854000 CPU: 7407.16, 0.00394099/step Wall: 7407.16, 0.00394099/step, 0.70719 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1854000 664.2276 1827.3150 1953.6549 115.5730 -0.8765 -1079.1663 0.0000 0.0000 2731.0395 6211.7671 301.6509 3480.7276 6249.6159 298.6922 PRESSURE: 1854200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1854200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1854200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1854200 0 0 0 0 0 0 0 0 0 TIMING: 1854200 CPU: 7407.95, 0.00394688/step Wall: 7407.95, 0.00394688/step, 0.708026 hours remaining, 114.421875 MB of memory in use. ENERGY: 1854200 680.3886 1879.0270 1952.6698 118.8453 0.2663 -1088.6040 0.0000 0.0000 2743.2356 6285.8286 302.9980 3542.5931 6318.4909 301.0482 PRESSURE: 1854400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1854400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1854400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1854400 0 0 0 0 0 0 0 0 0 TIMING: 1854400 CPU: 7408.74, 0.00394599/step Wall: 7408.74, 0.00394599/step, 0.707647 hours remaining, 114.421875 MB of memory in use. ENERGY: 1854400 658.3127 1843.0637 2008.3532 98.5717 1.4840 -1098.2274 0.0000 0.0000 2742.5369 6254.0948 302.9208 3511.5579 6287.1599 302.2970 PRESSURE: 1854600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1854600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1854600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1854600 0 0 0 0 0 0 0 0 0 TIMING: 1854600 CPU: 7409.53, 0.0039449/step Wall: 7409.53, 0.00394489/step, 0.707231 hours remaining, 114.421875 MB of memory in use. ENERGY: 1854600 650.9111 1863.7490 1954.9747 111.8995 1.2488 -1097.9322 0.0000 0.0000 2774.1431 6258.9940 306.4118 3484.8509 6296.0792 301.3739 PRESSURE: 1854800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1854800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1854800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1854800 0 0 0 0 0 0 0 0 0 TIMING: 1854800 CPU: 7410.32, 0.00393866/step Wall: 7410.32, 0.00393866/step, 0.705896 hours remaining, 114.421875 MB of memory in use. ENERGY: 1854800 676.4278 1901.1176 1970.6779 112.8730 0.2323 -1073.1995 0.0000 0.0000 2724.9529 6313.0820 300.9786 3588.1291 6345.5315 303.9969 PRESSURE: 1855000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1855000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1855000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1855000 0 0 0 0 0 0 0 0 0 TIMING: 1855000 CPU: 7411.11, 0.0039456/step Wall: 7411.11, 0.0039456/step, 0.706919 hours remaining, 114.421875 MB of memory in use. ENERGY: 1855000 662.4044 1814.7830 1995.9547 119.7890 0.3065 -1018.5959 0.0000 0.0000 2778.2564 6352.8980 306.8662 3574.6416 6386.0124 305.8609 PRESSURE: 1855200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1855200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1855200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1855200 0 0 0 0 0 0 0 0 0 TIMING: 1855200 CPU: 7411.9, 0.00394341/step Wall: 7411.9, 0.00394341/step, 0.706309 hours remaining, 114.421875 MB of memory in use. ENERGY: 1855200 674.9494 1885.6650 1988.1674 114.9044 0.4852 -1069.2487 0.0000 0.0000 2711.5081 6306.4308 299.4936 3594.9227 6337.4931 305.1287 PRESSURE: 1855400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1855400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1855400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1855400 0 0 0 0 0 0 0 0 0 TIMING: 1855400 CPU: 7412.68, 0.00394492/step Wall: 7412.68, 0.00394492/step, 0.70636 hours remaining, 114.421875 MB of memory in use. ENERGY: 1855400 655.3800 1841.2654 1975.2966 103.6995 -0.2935 -1088.0641 0.0000 0.0000 2804.9539 6292.2378 309.8150 3487.2839 6324.5644 304.0118 PRESSURE: 1855600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1855600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1855600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1855600 0 0 0 0 0 0 0 0 0 TIMING: 1855600 CPU: 7413.47, 0.0039442/step Wall: 7413.47, 0.0039442/step, 0.706012 hours remaining, 114.421875 MB of memory in use. ENERGY: 1855600 679.5954 1860.7858 1956.3740 111.9319 0.8823 -1090.2022 0.0000 0.0000 2748.6676 6268.0348 303.5980 3519.3672 6300.2561 304.0199 PRESSURE: 1855800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1855800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1855800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1855800 0 0 0 0 0 0 0 0 0 TIMING: 1855800 CPU: 7414.26, 0.00393914/step Wall: 7414.26, 0.00393914/step, 0.704888 hours remaining, 114.421875 MB of memory in use. ENERGY: 1855800 662.6144 1840.5801 1948.4225 108.0568 -0.0694 -1094.1038 0.0000 0.0000 2770.9395 6236.4401 306.0580 3465.5006 6272.4791 301.4765 PRESSURE: 1856000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1856000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1856000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1856000 0 0 0 0 0 0 0 0 0 TIMING: 1856000 CPU: 7415.05, 0.00394624/step Wall: 7415.05, 0.00394624/step, 0.705939 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1856000 677.9826 1859.2736 1964.1693 118.8895 -0.4421 -1108.1680 0.0000 0.0000 2710.7579 6222.4628 299.4108 3511.7049 6255.3819 300.5888 PRESSURE: 1856200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1856200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1856200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1856200 0 0 0 0 0 0 0 0 0 TIMING: 1856200 CPU: 7415.84, 0.00394265/step Wall: 7415.84, 0.00394265/step, 0.705077 hours remaining, 114.421875 MB of memory in use. ENERGY: 1856200 640.0975 1824.6879 1983.5690 117.4200 0.2726 -1046.5872 0.0000 0.0000 2700.1793 6219.6392 298.2423 3519.4598 6249.3639 299.6613 LDB: ============= START OF LOAD BALANCING ============== 7418.8 LDB: ============== END OF LOAD BALANCING =============== 7418.8 LDB: =============== DONE WITH MIGRATION ================ 7418.8 LDB: ============= START OF LOAD BALANCING ============== 7419.19 LDB: ============== END OF LOAD BALANCING =============== 7419.19 LDB: =============== DONE WITH MIGRATION ================ 7419.19 PRESSURE: 1856400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1856400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1856400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1856400 0 0 0 0 0 0 0 0 0 TIMING: 1856400 CPU: 7416.63, 0.00394899/step Wall: 7416.63, 0.00394899/step, 0.705992 hours remaining, 114.421875 MB of memory in use. ENERGY: 1856400 656.1719 1837.6548 1966.7462 95.7896 1.3502 -1074.4152 0.0000 0.0000 2701.5171 6184.8146 298.3901 3483.2975 6221.2048 298.2823 PRESSURE: 1856600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1856600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1856600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1856600 0 0 0 0 0 0 0 0 0 TIMING: 1856600 CPU: 7417.42, 0.00394614/step Wall: 7417.42, 0.00394614/step, 0.705264 hours remaining, 114.421875 MB of memory in use. ENERGY: 1856600 642.9289 1839.7083 1969.3505 107.9086 0.3713 -1062.7921 0.0000 0.0000 2709.3515 6206.8270 299.2554 3497.4756 6241.8075 299.1836 PRESSURE: 1856800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1856800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1856800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1856800 0 0 0 0 0 0 0 0 0 TIMING: 1856800 CPU: 7418.21, 0.00394263/step Wall: 7418.21, 0.00394263/step, 0.704416 hours remaining, 114.421875 MB of memory in use. ENERGY: 1856800 679.9106 1863.3429 1944.8106 93.4945 -0.1180 -1064.0651 0.0000 0.0000 2697.3370 6214.7126 297.9284 3517.3756 6244.0721 298.7587 PRESSURE: 1857000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1857000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1857000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1857000 0 0 0 0 0 0 0 0 0 TIMING: 1857000 CPU: 7419, 0.00395389/step Wall: 7419, 0.00395389/step, 0.706209 hours remaining, 114.421875 MB of memory in use. ENERGY: 1857000 667.6664 1808.4973 1977.1855 112.6248 1.2284 -1071.5534 0.0000 0.0000 2710.6252 6206.2742 299.3961 3495.6490 6242.3721 300.3314 PRESSURE: 1857200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1857200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1857200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1857200 0 0 0 0 0 0 0 0 0 TIMING: 1857200 CPU: 7419.79, 0.00394584/step Wall: 7419.79, 0.00394584/step, 0.704551 hours remaining, 114.421875 MB of memory in use. ENERGY: 1857200 675.4259 1822.6518 1956.5192 115.1393 -0.4133 -1062.5306 0.0000 0.0000 2672.7960 6179.5883 295.2178 3506.7922 6209.7910 298.8436 PRESSURE: 1857400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1857400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1857400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1857400 0 0 0 0 0 0 0 0 0 TIMING: 1857400 CPU: 7420.57, 0.00394432/step Wall: 7420.57, 0.00394432/step, 0.704061 hours remaining, 114.421875 MB of memory in use. ENERGY: 1857400 661.5067 1854.0273 1945.7206 108.5712 1.4722 -1125.3710 0.0000 0.0000 2716.9651 6162.8922 300.0964 3445.9271 6197.7186 296.7626 PRESSURE: 1857600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1857600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1857600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1857600 0 0 0 0 0 0 0 0 0 TIMING: 1857600 CPU: 7421.53, 0.00476304/step Wall: 7421.53, 0.00476304/step, 0.849938 hours remaining, 114.421875 MB of memory in use. ENERGY: 1857600 661.9019 1866.2877 1944.7798 91.8593 0.3885 -1080.4957 0.0000 0.0000 2695.4339 6180.1554 297.7182 3484.7215 6211.0963 297.8310 PRESSURE: 1857800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1857800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1857800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1857800 0 0 0 0 0 0 0 0 0 TIMING: 1857800 CPU: 7422.32, 0.00395705/step Wall: 7422.32, 0.00395705/step, 0.705895 hours remaining, 114.421875 MB of memory in use. ENERGY: 1857800 675.4434 1865.9257 1969.9815 108.4954 0.5474 -1078.3543 0.0000 0.0000 2686.9983 6229.0375 296.7864 3542.0392 6260.8677 298.8894 PRESSURE: 1858000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1858000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1858000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1858000 0 0 0 0 0 0 0 0 0 TIMING: 1858000 CPU: 7423.11, 0.00394614/step Wall: 7423.11, 0.00394614/step, 0.703729 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1858000 648.0540 1863.3178 1943.7109 110.3932 -0.3816 -1046.6910 0.0000 0.0000 2707.2381 6225.6414 299.0220 3518.4033 6260.3839 299.9989 PRESSURE: 1858200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1858200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1858200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1858200 0 0 0 0 0 0 0 0 0 TIMING: 1858200 CPU: 7423.9, 0.00394551/step Wall: 7423.9, 0.00394551/step, 0.703396 hours remaining, 114.421875 MB of memory in use. ENERGY: 1858200 626.5883 1875.7402 1937.7064 100.5570 0.7589 -1056.8255 0.0000 0.0000 2757.7379 6242.2632 304.5998 3484.5253 6277.6069 301.6962 PRESSURE: 1858400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1858400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1858400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1858400 0 0 0 0 0 0 0 0 0 TIMING: 1858400 CPU: 7424.69, 0.00394723/step Wall: 7424.69, 0.00394723/step, 0.703484 hours remaining, 114.421875 MB of memory in use. ENERGY: 1858400 636.0953 1886.1142 1924.3166 105.3783 1.3822 -1071.5551 0.0000 0.0000 2711.9640 6193.6953 299.5440 3481.7313 6225.6891 300.6266 PRESSURE: 1858600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1858600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1858600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1858600 0 0 0 0 0 0 0 0 0 TIMING: 1858600 CPU: 7425.48, 0.00395693/step Wall: 7425.48, 0.00395693/step, 0.704993 hours remaining, 114.421875 MB of memory in use. ENERGY: 1858600 624.4944 1882.4970 1965.8178 93.3487 0.5187 -1070.3655 0.0000 0.0000 2673.0001 6169.3113 295.2403 3496.3112 6202.7236 296.8742 PRESSURE: 1858800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1858800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1858800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1858800 0 0 0 0 0 0 0 0 0 TIMING: 1858800 CPU: 7426.27, 0.00394679/step Wall: 7426.27, 0.00394679/step, 0.702967 hours remaining, 114.421875 MB of memory in use. ENERGY: 1858800 635.9053 1855.6533 1972.3847 104.9808 -0.4035 -1073.9046 0.0000 0.0000 2685.1618 6179.7778 296.5836 3494.6160 6215.8259 297.2159 PRESSURE: 1859000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1859000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1859000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1859000 0 0 0 0 0 0 0 0 0 TIMING: 1859000 CPU: 7427.06, 0.00394901/step Wall: 7427.06, 0.00394901/step, 0.703142 hours remaining, 114.421875 MB of memory in use. ENERGY: 1859000 634.3598 1828.1098 1969.3831 103.8745 0.5208 -1044.7355 0.0000 0.0000 2658.7048 6150.2173 293.6613 3491.5126 6181.6557 297.2746 PRESSURE: 1859200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1859200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1859200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1859200 0 0 0 0 0 0 0 0 0 TIMING: 1859200 CPU: 7427.85, 0.00394442/step Wall: 7427.85, 0.00394442/step, 0.702107 hours remaining, 114.421875 MB of memory in use. ENERGY: 1859200 647.3565 1863.9502 1958.0611 106.3816 -0.5085 -1080.1027 0.0000 0.0000 2704.7681 6199.9063 298.7492 3495.1382 6232.7716 296.5048 PRESSURE: 1859400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1859400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1859400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1859400 0 0 0 0 0 0 0 0 0 TIMING: 1859400 CPU: 7428.64, 0.00394584/step Wall: 7428.64, 0.00394584/step, 0.70214 hours remaining, 114.421875 MB of memory in use. ENERGY: 1859400 640.2032 1804.1979 1962.2371 105.8760 -0.8174 -1053.7620 0.0000 0.0000 2770.1923 6228.1270 305.9755 3457.9347 6259.6649 298.3927 PRESSURE: 1859600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1859600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1859600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1859600 0 0 0 0 0 0 0 0 0 TIMING: 1859600 CPU: 7429.42, 0.00394566/step Wall: 7429.42, 0.00394566/step, 0.701889 hours remaining, 114.421875 MB of memory in use. ENERGY: 1859600 656.1179 1846.4726 1949.3749 103.2400 0.1521 -1046.9051 0.0000 0.0000 2729.8138 6238.2661 301.5155 3508.4524 6270.7612 301.6492 PRESSURE: 1859800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1859800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1859800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1859800 0 0 0 0 0 0 0 0 0 TIMING: 1859800 CPU: 7430.21, 0.00393985/step Wall: 7430.21, 0.00393985/step, 0.700637 hours remaining, 114.421875 MB of memory in use. ENERGY: 1859800 686.0219 1844.5473 1974.3537 102.1124 -0.6207 -1097.7782 0.0000 0.0000 2708.7984 6217.4350 299.1943 3508.6366 6249.1090 301.1921 PRESSURE: 1860000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1860000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1860000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1860000 0 0 0 0 0 0 0 0 0 TIMING: 1860000 CPU: 7431, 0.00394725/step Wall: 7431, 0.00394725/step, 0.701733 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1860000 677.7723 1913.8326 1980.2672 110.7719 -1.8909 -1071.2365 0.0000 0.0000 2695.2513 6304.7679 297.6980 3609.5166 6335.7085 302.2380 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1860000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1860000 WRITING COORDINATES TO RESTART FILE AT STEP 1860000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1860000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1860200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1860200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1860200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1860200 0 0 0 0 0 0 0 0 0 TIMING: 1860200 CPU: 7433.17, 0.0108165/step Wall: 7433.17, 0.0108165/step, 1.92233 hours remaining, 114.421875 MB of memory in use. ENERGY: 1860200 638.9883 1851.0571 1990.0828 106.2314 -0.1455 -1082.4083 0.0000 0.0000 2733.4340 6237.2398 301.9154 3503.8058 6270.1285 302.6827 LDB: ============= START OF LOAD BALANCING ============== 7436.12 LDB: ============== END OF LOAD BALANCING =============== 7436.12 LDB: =============== DONE WITH MIGRATION ================ 7436.12 LDB: ============= START OF LOAD BALANCING ============== 7436.52 LDB: ============== END OF LOAD BALANCING =============== 7436.52 LDB: =============== DONE WITH MIGRATION ================ 7436.52 PRESSURE: 1860400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1860400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1860400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1860400 0 0 0 0 0 0 0 0 0 TIMING: 1860400 CPU: 7433.96, 0.00394958/step Wall: 7433.96, 0.00394958/step, 0.70171 hours remaining, 114.421875 MB of memory in use. ENERGY: 1860400 637.9944 1842.1529 1984.8663 101.4726 -0.2902 -1072.4761 0.0000 0.0000 2659.5253 6153.2451 293.7520 3493.7198 6186.2128 297.9756 PRESSURE: 1860600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1860600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1860600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1860600 0 0 0 0 0 0 0 0 0 TIMING: 1860600 CPU: 7434.74, 0.00394686/step Wall: 7434.74, 0.00394685/step, 0.701004 hours remaining, 114.421875 MB of memory in use. ENERGY: 1860600 659.2013 1842.8767 1962.9446 102.6205 0.5082 -1057.5195 0.0000 0.0000 2632.8207 6143.4526 290.8024 3510.6319 6176.0127 294.3916 PRESSURE: 1860800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1860800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1860800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1860800 0 0 0 0 0 0 0 0 0 TIMING: 1860800 CPU: 7435.53, 0.0039485/step Wall: 7435.53, 0.00394851/step, 0.70108 hours remaining, 114.421875 MB of memory in use. ENERGY: 1860800 645.5439 1837.2492 1949.3626 101.6394 -0.3704 -1036.4648 0.0000 0.0000 2683.5968 6180.5567 296.4107 3496.9599 6213.0593 295.6975 PRESSURE: 1861000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1861000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1861000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1861000 0 0 0 0 0 0 0 0 0 TIMING: 1861000 CPU: 7436.32, 0.00394144/step Wall: 7436.32, 0.00394144/step, 0.699605 hours remaining, 114.421875 MB of memory in use. ENERGY: 1861000 648.4522 1814.3941 1968.3353 97.1790 -0.0790 -1042.0766 0.0000 0.0000 2769.6722 6255.8771 305.9180 3486.2049 6288.8501 300.9261 PRESSURE: 1861200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1861200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1861200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1861200 0 0 0 0 0 0 0 0 0 TIMING: 1861200 CPU: 7437.11, 0.00394584/step Wall: 7437.11, 0.00394584/step, 0.700167 hours remaining, 114.421875 MB of memory in use. ENERGY: 1861200 653.8177 1851.3919 1981.4461 106.7132 1.2467 -1058.7204 0.0000 0.0000 2678.0424 6213.9376 295.7972 3535.8953 6247.4038 301.1691 PRESSURE: 1861400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1861400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1861400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1861400 0 0 0 0 0 0 0 0 0 TIMING: 1861400 CPU: 7437.9, 0.00394546/step Wall: 7437.9, 0.00394546/step, 0.699881 hours remaining, 114.421875 MB of memory in use. ENERGY: 1861400 652.0083 1839.9495 1966.4350 96.5449 0.4782 -1093.3102 0.0000 0.0000 2704.4763 6166.5819 298.7169 3462.1056 6200.0979 297.1530 PRESSURE: 1861600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1861600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1861600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1861600 0 0 0 0 0 0 0 0 0 TIMING: 1861600 CPU: 7438.69, 0.00394447/step Wall: 7438.69, 0.00394447/step, 0.699487 hours remaining, 114.421875 MB of memory in use. ENERGY: 1861600 606.5643 1838.4585 1980.1029 107.3258 0.8402 -1057.7167 0.0000 0.0000 2703.2582 6178.8332 298.5824 3475.5750 6207.7379 297.8704 PRESSURE: 1861800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1861800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1861800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1861800 0 0 0 0 0 0 0 0 0 TIMING: 1861800 CPU: 7439.48, 0.00394561/step Wall: 7439.48, 0.0039456/step, 0.699468 hours remaining, 114.421875 MB of memory in use. ENERGY: 1861800 652.9694 1800.3001 1966.6565 113.7375 0.5257 -1061.4981 0.0000 0.0000 2645.1326 6117.8237 292.1623 3472.6911 6148.4835 295.8792 PRESSURE: 1862000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1862000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1862000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1862000 0 0 0 0 0 0 0 0 0 TIMING: 1862000 CPU: 7440.27, 0.00394129/step Wall: 7440.27, 0.0039413/step, 0.698486 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1862000 663.5172 1790.6299 1961.9011 102.1854 0.8234 -1070.5744 0.0000 0.0000 2651.7493 6100.2319 292.8931 3448.4826 6132.5177 292.9100 PRESSURE: 1862200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1862200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1862200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1862200 0 0 0 0 0 0 0 0 0 TIMING: 1862200 CPU: 7441.06, 0.00394857/step Wall: 7441.06, 0.00394857/step, 0.699555 hours remaining, 114.421875 MB of memory in use. ENERGY: 1862200 635.6663 1801.3466 1973.7572 112.7969 0.9573 -1058.3362 0.0000 0.0000 2665.2329 6131.4211 294.3824 3466.1882 6164.3720 294.3920 PRESSURE: 1862400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1862400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1862400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1862400 0 0 0 0 0 0 0 0 0 TIMING: 1862400 CPU: 7441.85, 0.00394816/step Wall: 7441.85, 0.00394816/step, 0.699263 hours remaining, 114.421875 MB of memory in use. ENERGY: 1862400 662.8205 1831.6742 1965.7202 110.8134 0.8661 -1066.3445 0.0000 0.0000 2674.6601 6180.2099 295.4237 3505.5498 6208.9435 297.8393 PRESSURE: 1862600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1862600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1862600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1862600 0 0 0 0 0 0 0 0 0 TIMING: 1862600 CPU: 7442.64, 0.00394633/step Wall: 7442.64, 0.00394633/step, 0.69872 hours remaining, 114.421875 MB of memory in use. ENERGY: 1862600 665.4868 1827.6241 1976.6680 108.4866 1.4227 -1053.6530 0.0000 0.0000 2684.5535 6210.5886 296.5164 3526.0351 6239.7285 297.2697 PRESSURE: 1862800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1862800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1862800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1862800 0 0 0 0 0 0 0 0 0 TIMING: 1862800 CPU: 7443.42, 0.00394433/step Wall: 7443.42, 0.00394433/step, 0.698147 hours remaining, 114.421875 MB of memory in use. ENERGY: 1862800 663.6499 1877.2751 1963.7861 116.4725 0.0100 -1071.6534 0.0000 0.0000 2695.7606 6245.3009 297.7543 3549.5403 6279.2817 299.9895 PRESSURE: 1863000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1863000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1863000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1863000 0 0 0 0 0 0 0 0 0 TIMING: 1863000 CPU: 7444.21, 0.00393758/step Wall: 7444.21, 0.00393758/step, 0.696733 hours remaining, 114.421875 MB of memory in use. ENERGY: 1863000 663.4855 1846.7316 1976.6795 112.7697 1.3306 -1080.9816 0.0000 0.0000 2753.2674 6273.2828 304.1061 3520.0155 6308.4061 301.2585 PRESSURE: 1863200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1863200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1863200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1863200 0 0 0 0 0 0 0 0 0 TIMING: 1863200 CPU: 7445, 0.00394457/step Wall: 7445, 0.00394457/step, 0.697751 hours remaining, 114.421875 MB of memory in use. ENERGY: 1863200 630.0464 1877.6238 1981.7297 109.1561 0.8801 -1065.9294 0.0000 0.0000 2705.7108 6239.2175 298.8533 3533.5067 6272.2460 302.3277 PRESSURE: 1863400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1863400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1863400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1863400 0 0 0 0 0 0 0 0 0 TIMING: 1863400 CPU: 7445.79, 0.00394248/step Wall: 7445.79, 0.00394248/step, 0.697163 hours remaining, 114.421875 MB of memory in use. ENERGY: 1863400 613.7417 1860.2803 1985.0665 104.7408 1.0557 -1066.6011 0.0000 0.0000 2729.0501 6227.3340 301.4312 3498.2839 6259.7599 301.5596 PRESSURE: 1863600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1863600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1863600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1863600 0 0 0 0 0 0 0 0 0 TIMING: 1863600 CPU: 7446.58, 0.00394237/step Wall: 7446.58, 0.00394237/step, 0.696923 hours remaining, 114.421875 MB of memory in use. ENERGY: 1863600 649.7349 1829.7614 1977.7261 111.7917 0.8307 -1058.4925 0.0000 0.0000 2704.8081 6216.1604 298.7536 3511.3523 6250.4177 300.6594 PRESSURE: 1863800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1863800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1863800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1863800 0 0 0 0 0 0 0 0 0 TIMING: 1863800 CPU: 7447.37, 0.00393762/step Wall: 7447.37, 0.00393762/step, 0.695864 hours remaining, 114.421875 MB of memory in use. ENERGY: 1863800 651.0772 1857.1072 1953.5323 102.5517 1.4203 -1085.5409 0.0000 0.0000 2729.7558 6209.9035 301.5091 3480.1477 6241.9192 299.5401 PRESSURE: 1864000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1864000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1864000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1864000 0 0 0 0 0 0 0 0 0 TIMING: 1864000 CPU: 7448.15, 0.00394183/step Wall: 7448.15, 0.00394183/step, 0.696391 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1864000 671.4781 1869.8520 1940.6070 102.4282 2.5441 -1104.8732 0.0000 0.0000 2697.9746 6180.0108 297.9988 3482.0362 6210.3945 297.6762 PRESSURE: 1864200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1864200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1864200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1864200 0 0 0 0 0 0 0 0 0 TIMING: 1864200 CPU: 7448.94, 0.00394129/step Wall: 7448.94, 0.00394129/step, 0.696076 hours remaining, 114.421875 MB of memory in use. ENERGY: 1864200 659.0045 1833.5980 1949.4453 106.5097 0.4493 -1050.0293 0.0000 0.0000 2700.6655 6199.6431 298.2960 3498.9776 6232.5074 299.5415 LDB: ============= START OF LOAD BALANCING ============== 7451.9 LDB: ============== END OF LOAD BALANCING =============== 7451.9 LDB: =============== DONE WITH MIGRATION ================ 7451.9 LDB: ============= START OF LOAD BALANCING ============== 7452.3 LDB: ============== END OF LOAD BALANCING =============== 7452.3 LDB: =============== DONE WITH MIGRATION ================ 7452.3 PRESSURE: 1864400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1864400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1864400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1864400 0 0 0 0 0 0 0 0 0 TIMING: 1864400 CPU: 7449.73, 0.00394818/step Wall: 7449.73, 0.00394818/step, 0.697073 hours remaining, 114.421875 MB of memory in use. ENERGY: 1864400 650.5073 1818.8301 1996.1037 93.5355 1.6464 -1113.5886 0.0000 0.0000 2733.8484 6180.8828 301.9612 3447.0345 6215.5495 298.4135 PRESSURE: 1864600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1864600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1864600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1864600 0 0 0 0 0 0 0 0 0 TIMING: 1864600 CPU: 7450.52, 0.00394543/step Wall: 7450.52, 0.00394543/step, 0.696368 hours remaining, 114.421875 MB of memory in use. ENERGY: 1864600 657.6151 1822.1142 1965.7678 121.5170 0.9590 -1076.8328 0.0000 0.0000 2674.8308 6165.9711 295.4425 3491.1403 6200.0525 298.4579 PRESSURE: 1864800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1864800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1864800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1864800 0 0 0 0 0 0 0 0 0 TIMING: 1864800 CPU: 7451.31, 0.00394039/step Wall: 7451.31, 0.00394039/step, 0.69526 hours remaining, 114.421875 MB of memory in use. ENERGY: 1864800 623.4911 1831.0945 1954.4777 111.2185 1.2764 -1091.2032 0.0000 0.0000 2669.8232 6100.1783 294.8894 3430.3551 6133.0405 295.7056 PRESSURE: 1865000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1865000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1865000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1865000 0 0 0 0 0 0 0 0 0 TIMING: 1865000 CPU: 7452.1, 0.00394377/step Wall: 7452.1, 0.00394377/step, 0.695638 hours remaining, 114.421875 MB of memory in use. ENERGY: 1865000 633.3656 1840.8175 1959.7470 98.0844 1.1993 -1077.6027 0.0000 0.0000 2660.6642 6116.2753 293.8778 3455.6111 6146.4615 294.2223 PRESSURE: 1865200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1865200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1865200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1865200 0 0 0 0 0 0 0 0 0 TIMING: 1865200 CPU: 7452.89, 0.00394426/step Wall: 7452.89, 0.00394426/step, 0.695504 hours remaining, 114.421875 MB of memory in use. ENERGY: 1865200 671.6136 1830.9871 1979.4101 105.9484 1.0015 -1059.8755 0.0000 0.0000 2660.8516 6189.9368 293.8985 3529.0852 6218.8879 295.7955 PRESSURE: 1865400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1865400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1865400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1865400 0 0 0 0 0 0 0 0 0 TIMING: 1865400 CPU: 7453.68, 0.00394482/step Wall: 7453.68, 0.00394482/step, 0.695383 hours remaining, 114.421875 MB of memory in use. ENERGY: 1865400 650.2671 1833.1208 1948.9861 105.6032 1.1112 -1047.6148 0.0000 0.0000 2697.3057 6188.7793 297.9249 3491.4736 6219.9890 297.2877 PRESSURE: 1865600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1865600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1865600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1865600 0 0 0 0 0 0 0 0 0 TIMING: 1865600 CPU: 7454.46, 0.00394541/step Wall: 7454.46, 0.00394541/step, 0.695269 hours remaining, 114.421875 MB of memory in use. ENERGY: 1865600 676.8670 1848.6245 1966.8007 114.8566 0.6768 -1111.9799 0.0000 0.0000 2712.2567 6208.1025 299.5763 3495.8457 6240.3378 299.0891 PRESSURE: 1865800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1865800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1865800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1865800 0 0 0 0 0 0 0 0 0 TIMING: 1865800 CPU: 7455.25, 0.00394275/step Wall: 7455.25, 0.00394275/step, 0.694582 hours remaining, 114.421875 MB of memory in use. ENERGY: 1865800 676.3687 1843.1146 1943.9941 100.2471 1.0470 -1075.1449 0.0000 0.0000 2718.2435 6207.8701 300.2376 3489.6267 6242.3740 302.4506 PRESSURE: 1866000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1866000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1866000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1866000 0 0 0 0 0 0 0 0 0 TIMING: 1866000 CPU: 7456.04, 0.00394729/step Wall: 7456.04, 0.00394729/step, 0.695162 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1866000 629.6313 1884.1620 1963.3235 103.0106 0.5876 -1089.6023 0.0000 0.0000 2721.6583 6212.7711 300.6147 3491.1129 6247.2211 300.6548 PRESSURE: 1866200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1866200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1866200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1866200 0 0 0 0 0 0 0 0 0 TIMING: 1866200 CPU: 7456.83, 0.00394454/step Wall: 7456.83, 0.00394454/step, 0.694458 hours remaining, 114.421875 MB of memory in use. ENERGY: 1866200 669.3099 1853.6448 1950.1267 103.1279 -0.4100 -1086.6391 0.0000 0.0000 2718.3154 6207.4756 300.2455 3489.1601 6239.8813 300.8655 PRESSURE: 1866400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1866400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1866400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1866400 0 0 0 0 0 0 0 0 0 TIMING: 1866400 CPU: 7457.62, 0.00394642/step Wall: 7457.62, 0.00394642/step, 0.694569 hours remaining, 114.421875 MB of memory in use. ENERGY: 1866400 620.3506 1848.2011 1962.3927 112.9258 0.3641 -1057.9425 0.0000 0.0000 2670.7236 6157.0154 294.9889 3486.2918 6188.9184 299.3859 PRESSURE: 1866600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1866600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1866600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1866600 0 0 0 0 0 0 0 0 0 TIMING: 1866600 CPU: 7458.41, 0.00393996/step Wall: 7458.41, 0.00393996/step, 0.693213 hours remaining, 114.421875 MB of memory in use. ENERGY: 1866600 667.2120 1862.3690 1953.2837 106.7931 -0.0493 -1066.0227 0.0000 0.0000 2674.0544 6197.6402 295.3568 3523.5858 6229.3328 297.9767 PRESSURE: 1866800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1866800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1866800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1866800 0 0 0 0 0 0 0 0 0 TIMING: 1866800 CPU: 7459.2, 0.00395583/step Wall: 7459.2, 0.00395583/step, 0.695786 hours remaining, 114.421875 MB of memory in use. ENERGY: 1866800 661.5885 1823.2200 1953.5935 96.0152 1.7529 -1076.0841 0.0000 0.0000 2716.6627 6176.7487 300.0630 3460.0860 6208.4201 298.6681 PRESSURE: 1867000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1867000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1867000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1867000 0 0 0 0 0 0 0 0 0 TIMING: 1867000 CPU: 7459.99, 0.00394547/step Wall: 7459.99, 0.00394547/step, 0.693744 hours remaining, 114.421875 MB of memory in use. ENERGY: 1867000 660.9014 1874.5468 1972.9836 107.9438 2.2302 -1086.5236 0.0000 0.0000 2655.4221 6187.5042 293.2988 3532.0821 6219.3400 298.5252 PRESSURE: 1867200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1867200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1867200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1867200 0 0 0 0 0 0 0 0 0 TIMING: 1867200 CPU: 7460.78, 0.00394752/step Wall: 7460.78, 0.00394752/step, 0.693886 hours remaining, 114.421875 MB of memory in use. ENERGY: 1867200 644.1381 1864.3250 1964.2819 94.6923 1.5864 -1062.7632 0.0000 0.0000 2734.9229 6241.1835 302.0799 3506.2606 6273.7558 300.5599 PRESSURE: 1867400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1867400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1867400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1867400 0 0 0 0 0 0 0 0 0 TIMING: 1867400 CPU: 7461.57, 0.00394798/step Wall: 7461.57, 0.00394798/step, 0.693748 hours remaining, 114.421875 MB of memory in use. ENERGY: 1867400 680.5643 1785.2152 1988.4773 106.8840 0.5657 -1028.0284 0.0000 0.0000 2711.6839 6245.3621 299.5130 3533.6782 6278.3860 300.9268 PRESSURE: 1867600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1867600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1867600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1867600 0 0 0 0 0 0 0 0 0 TIMING: 1867600 CPU: 7462.36, 0.00394078/step Wall: 7462.36, 0.00394078/step, 0.692264 hours remaining, 114.421875 MB of memory in use. ENERGY: 1867600 678.7955 1819.4555 1951.0267 118.7781 1.3143 -1064.2208 0.0000 0.0000 2729.7995 6234.9489 301.5140 3505.1493 6264.7171 300.2270 PRESSURE: 1867800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1867800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1867800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1867800 0 0 0 0 0 0 0 0 0 TIMING: 1867800 CPU: 7463.15, 0.0039477/step Wall: 7463.15, 0.0039477/step, 0.69326 hours remaining, 114.421875 MB of memory in use. ENERGY: 1867800 658.2863 1882.0941 1952.4121 113.3256 0.9296 -1095.6605 0.0000 0.0000 2675.1199 6186.5070 295.4744 3511.3871 6219.6175 299.8747 PRESSURE: 1868000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1868000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1868000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1868000 0 0 0 0 0 0 0 0 0 TIMING: 1868000 CPU: 7463.93, 0.00394415/step Wall: 7463.93, 0.00394415/step, 0.692417 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1868000 678.0576 1876.0854 1961.7622 108.6786 2.4394 -1106.5840 0.0000 0.0000 2710.2636 6230.7027 299.3562 3520.4391 6261.7396 298.7041 PRESSURE: 1868200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1868200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1868200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1868200 0 0 0 0 0 0 0 0 0 TIMING: 1868200 CPU: 7464.72, 0.00394667/step Wall: 7464.72, 0.00394667/step, 0.692641 hours remaining, 114.421875 MB of memory in use. ENERGY: 1868200 683.0578 1870.0746 1987.4001 123.4175 0.2350 -1083.9559 0.0000 0.0000 2705.2919 6285.5210 298.8070 3580.2291 6317.3958 302.0606 LDB: ============= START OF LOAD BALANCING ============== 7467.68 LDB: ============== END OF LOAD BALANCING =============== 7467.68 LDB: =============== DONE WITH MIGRATION ================ 7467.68 LDB: ============= START OF LOAD BALANCING ============== 7468.08 LDB: ============== END OF LOAD BALANCING =============== 7468.08 LDB: =============== DONE WITH MIGRATION ================ 7468.08 PRESSURE: 1868400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1868400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1868400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1868400 0 0 0 0 0 0 0 0 0 TIMING: 1868400 CPU: 7465.51, 0.00395258/step Wall: 7465.51, 0.00395258/step, 0.693459 hours remaining, 114.421875 MB of memory in use. ENERGY: 1868400 686.9086 1876.5577 1961.3199 105.6819 2.2426 -1109.8237 0.0000 0.0000 2746.0431 6268.9301 303.3081 3522.8870 6302.3131 303.0138 PRESSURE: 1868600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1868600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1868600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1868600 0 0 0 0 0 0 0 0 0 TIMING: 1868600 CPU: 7466.3, 0.00394419/step Wall: 7466.3, 0.00394419/step, 0.691766 hours remaining, 114.421875 MB of memory in use. ENERGY: 1868600 634.3217 1877.6707 1947.5719 115.8351 1.5672 -1051.9158 0.0000 0.0000 2798.6010 6323.6519 309.1133 3525.0508 6357.4836 302.6857 PRESSURE: 1868800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1868800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1868800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1868800 0 0 0 0 0 0 0 0 0 TIMING: 1868800 CPU: 7467.09, 0.00394861/step Wall: 7467.09, 0.00394861/step, 0.692324 hours remaining, 114.421875 MB of memory in use. ENERGY: 1868800 664.7602 1851.9212 1948.0461 103.0480 1.4255 -1052.9516 0.0000 0.0000 2759.2922 6275.5416 304.7715 3516.2494 6312.1361 304.4906 PRESSURE: 1869000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1869000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1869000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1869000 0 0 0 0 0 0 0 0 0 TIMING: 1869000 CPU: 7467.88, 0.00394606/step Wall: 7467.88, 0.00394606/step, 0.691656 hours remaining, 114.421875 MB of memory in use. ENERGY: 1869000 677.9849 1880.0689 1966.0110 100.0233 1.6114 -1069.2649 0.0000 0.0000 2693.0227 6249.4572 297.4519 3556.4345 6279.0117 302.7997 PRESSURE: 1869200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1869200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1869200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1869200 0 0 0 0 0 0 0 0 0 TIMING: 1869200 CPU: 7468.67, 0.00394643/step Wall: 7468.67, 0.00394643/step, 0.691502 hours remaining, 114.421875 MB of memory in use. ENERGY: 1869200 645.2394 1858.2095 1941.6430 96.2575 1.2154 -1056.7968 0.0000 0.0000 2737.2477 6223.0157 302.3366 3485.7681 6256.9432 301.1556 PRESSURE: 1869400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1869400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1869400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1869400 0 0 0 0 0 0 0 0 0 TIMING: 1869400 CPU: 7469.46, 0.00394116/step Wall: 7469.46, 0.00394116/step, 0.69036 hours remaining, 114.421875 MB of memory in use. ENERGY: 1869400 665.8540 1849.4016 1955.7825 111.7679 0.8787 -1053.2255 0.0000 0.0000 2675.2682 6205.7275 295.4908 3530.4593 6235.9234 298.6862 PRESSURE: 1869600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1869600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1869600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1869600 0 0 0 0 0 0 0 0 0 TIMING: 1869600 CPU: 7470.25, 0.00394509/step Wall: 7470.25, 0.00394509/step, 0.690829 hours remaining, 114.421875 MB of memory in use. ENERGY: 1869600 656.5723 1857.5156 1964.0384 108.3784 2.3055 -1071.0722 0.0000 0.0000 2703.1739 6220.9120 298.5731 3517.7380 6254.9060 299.5660 PRESSURE: 1869800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1869800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1869800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1869800 0 0 0 0 0 0 0 0 0 TIMING: 1869800 CPU: 7471.04, 0.00394696/step Wall: 7471.04, 0.00394696/step, 0.690937 hours remaining, 114.421875 MB of memory in use. ENERGY: 1869800 643.5570 1849.2348 1981.1097 104.6962 1.1550 -1074.9211 0.0000 0.0000 2718.9477 6223.7794 300.3154 3504.8317 6257.3751 300.4745 PRESSURE: 1870000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1870000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1870000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1870000 0 0 0 0 0 0 0 0 0 TIMING: 1870000 CPU: 7471.83, 0.00394786/step Wall: 7471.83, 0.00394786/step, 0.690876 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1870000 644.4216 1853.7620 1940.9065 113.3796 0.5324 -1062.8667 0.0000 0.0000 2685.8791 6176.0145 296.6628 3490.1354 6208.0984 298.3171 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1870000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1870000 WRITING COORDINATES TO RESTART FILE AT STEP 1870000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1870000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1870200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1870200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1870200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1870200 0 0 0 0 0 0 0 0 0 TIMING: 1870200 CPU: 7472.67, 0.00420637/step Wall: 7472.67, 0.00420637/step, 0.735882 hours remaining, 114.421875 MB of memory in use. ENERGY: 1870200 651.4753 1851.3910 1971.5292 105.8497 1.6939 -1104.9560 0.0000 0.0000 2725.4612 6202.4443 301.0348 3476.9831 6234.9148 299.4690 PRESSURE: 1870400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1870400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1870400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1870400 0 0 0 0 0 0 0 0 0 TIMING: 1870400 CPU: 7473.46, 0.00394145/step Wall: 7473.46, 0.00394145/step, 0.689316 hours remaining, 114.421875 MB of memory in use. ENERGY: 1870400 658.9880 1832.3609 2005.8830 110.4538 1.6418 -1098.0543 0.0000 0.0000 2729.3578 6240.6311 301.4652 3511.2732 6269.4184 299.9490 PRESSURE: 1870600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1870600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1870600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1870600 0 0 0 0 0 0 0 0 0 TIMING: 1870600 CPU: 7474.25, 0.00394694/step Wall: 7474.25, 0.00394694/step, 0.690057 hours remaining, 114.421875 MB of memory in use. ENERGY: 1870600 631.7030 1842.7591 2004.8435 110.1692 1.8468 -1057.3106 0.0000 0.0000 2670.8038 6204.8148 294.9977 3534.0110 6234.8084 300.8580 PRESSURE: 1870800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1870800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1870800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1870800 0 0 0 0 0 0 0 0 0 TIMING: 1870800 CPU: 7475.04, 0.00394664/step Wall: 7475.04, 0.00394664/step, 0.689785 hours remaining, 114.421875 MB of memory in use. ENERGY: 1870800 638.5422 1876.3365 1990.2572 111.3048 0.6251 -1066.9297 0.0000 0.0000 2712.3804 6262.5164 299.5900 3550.1360 6294.7671 299.9789 PRESSURE: 1871000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1871000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1871000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1871000 0 0 0 0 0 0 0 0 0 TIMING: 1871000 CPU: 7475.83, 0.00394564/step Wall: 7475.83, 0.00394564/step, 0.68939 hours remaining, 114.421875 MB of memory in use. ENERGY: 1871000 648.4054 1830.8483 1974.1887 114.3397 1.4263 -1083.1478 0.0000 0.0000 2721.7489 6207.8096 300.6247 3486.0607 6242.3913 299.6178 PRESSURE: 1871200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1871200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1871200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1871200 0 0 0 0 0 0 0 0 0 TIMING: 1871200 CPU: 7476.61, 0.0039462/step Wall: 7476.61, 0.0039462/step, 0.68927 hours remaining, 114.421875 MB of memory in use. ENERGY: 1871200 645.3705 1843.3616 1979.2572 121.6967 1.2606 -1111.6437 0.0000 0.0000 2658.1937 6137.4967 293.6049 3479.3029 6170.9977 298.9141 PRESSURE: 1871400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1871400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1871400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1871400 0 0 0 0 0 0 0 0 0 TIMING: 1871400 CPU: 7477.4, 0.00393966/step Wall: 7477.4, 0.00393966/step, 0.687909 hours remaining, 114.421875 MB of memory in use. ENERGY: 1871400 689.9115 1840.3596 1965.7910 114.2436 1.5042 -1079.6399 0.0000 0.0000 2693.0689 6225.2389 297.4570 3532.1700 6257.7479 298.2896 PRESSURE: 1871600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1871600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1871600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1871600 0 0 0 0 0 0 0 0 0 TIMING: 1871600 CPU: 7478.19, 0.00394588/step Wall: 7478.19, 0.00394588/step, 0.688775 hours remaining, 114.421875 MB of memory in use. ENERGY: 1871600 659.5058 1884.2397 1969.7131 106.3117 0.1201 -1094.6781 0.0000 0.0000 2719.7115 6244.9238 300.3997 3525.2123 6280.8817 300.1365 PRESSURE: 1871800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1871800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1871800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1871800 0 0 0 0 0 0 0 0 0 TIMING: 1871800 CPU: 7478.98, 0.00394554/step Wall: 7478.98, 0.00394554/step, 0.688497 hours remaining, 114.421875 MB of memory in use. ENERGY: 1871800 646.4497 1845.9216 1984.7667 115.6931 1.2076 -1084.3049 0.0000 0.0000 2786.6920 6296.4258 307.7979 3509.7338 6327.2526 301.7361 PRESSURE: 1872000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1872000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1872000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1872000 0 0 0 0 0 0 0 0 0 TIMING: 1872000 CPU: 7479.77, 0.00394819/step Wall: 7479.77, 0.00394819/step, 0.688739 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1872000 678.2297 1794.7469 1960.0465 102.3684 0.7171 -1052.8486 0.0000 0.0000 2739.0250 6222.2850 302.5329 3483.2600 6255.4045 302.0740 PRESSURE: 1872200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1872200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1872200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1872200 0 0 0 0 0 0 0 0 0 TIMING: 1872200 CPU: 7480.56, 0.00394958/step Wall: 7480.56, 0.00394958/step, 0.688763 hours remaining, 114.421875 MB of memory in use. ENERGY: 1872200 658.0218 1859.8906 1966.8580 116.7935 -0.3465 -1114.9180 0.0000 0.0000 2788.8053 6275.1049 308.0313 3486.2995 6310.7947 302.7621 LDB: ============= START OF LOAD BALANCING ============== 7483.52 LDB: ============== END OF LOAD BALANCING =============== 7483.52 LDB: =============== DONE WITH MIGRATION ================ 7483.52 LDB: ============= START OF LOAD BALANCING ============== 7483.91 LDB: ============== END OF LOAD BALANCING =============== 7483.91 LDB: =============== DONE WITH MIGRATION ================ 7483.91 PRESSURE: 1872400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1872400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1872400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1872400 0 0 0 0 0 0 0 0 0 TIMING: 1872400 CPU: 7481.35, 0.0039481/step Wall: 7481.35, 0.0039481/step, 0.688285 hours remaining, 114.421875 MB of memory in use. ENERGY: 1872400 655.2427 1831.8223 1982.3413 102.4923 0.0034 -1072.1505 0.0000 0.0000 2756.3836 6256.1353 304.4502 3499.7516 6292.6614 302.6518 PRESSURE: 1872600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1872600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1872600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1872600 0 0 0 0 0 0 0 0 0 TIMING: 1872600 CPU: 7482.14, 0.00394765/step Wall: 7482.14, 0.00394765/step, 0.687989 hours remaining, 114.421875 MB of memory in use. ENERGY: 1872600 663.4536 1851.3046 1963.4302 114.6780 1.8777 -1070.8269 0.0000 0.0000 2728.6252 6252.5423 301.3843 3523.9171 6284.3062 301.3562 PRESSURE: 1872800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1872800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1872800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1872800 0 0 0 0 0 0 0 0 0 TIMING: 1872800 CPU: 7482.93, 0.00394733/step Wall: 7482.93, 0.00394733/step, 0.687713 hours remaining, 114.421875 MB of memory in use. ENERGY: 1872800 617.5315 1876.5222 1964.9691 125.9211 0.9324 -1046.4335 0.0000 0.0000 2713.3287 6252.7715 299.6947 3539.4428 6283.6797 301.5057 PRESSURE: 1873000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1873000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1873000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1873000 0 0 0 0 0 0 0 0 0 TIMING: 1873000 CPU: 7483.72, 0.00394956/step Wall: 7483.72, 0.00394956/step, 0.687881 hours remaining, 114.421875 MB of memory in use. ENERGY: 1873000 649.7903 1859.1574 1974.2412 110.0010 0.3062 -1081.9787 0.0000 0.0000 2742.8891 6254.4063 302.9597 3511.5173 6287.8905 302.2577 PRESSURE: 1873200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1873200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1873200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1873200 0 0 0 0 0 0 0 0 0 TIMING: 1873200 CPU: 7484.51, 0.00394938/step Wall: 7484.51, 0.00394938/step, 0.687632 hours remaining, 114.421875 MB of memory in use. ENERGY: 1873200 659.6450 1895.6837 1965.7597 103.6424 2.2620 -1074.5384 0.0000 0.0000 2719.8552 6272.3097 300.4156 3552.4545 6303.6651 301.3270 PRESSURE: 1873400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1873400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1873400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1873400 0 0 0 0 0 0 0 0 0 TIMING: 1873400 CPU: 7485.3, 0.00394843/step Wall: 7485.3, 0.00394843/step, 0.687247 hours remaining, 114.421875 MB of memory in use. ENERGY: 1873400 630.2774 1892.5122 1949.1811 103.2070 1.4143 -1039.1891 0.0000 0.0000 2730.6850 6268.0879 301.6118 3537.4029 6302.7680 301.0821 PRESSURE: 1873600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1873600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1873600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1873600 0 0 0 0 0 0 0 0 0 TIMING: 1873600 CPU: 7486.09, 0.00395061/step Wall: 7486.09, 0.00395061/step, 0.687406 hours remaining, 114.421875 MB of memory in use. ENERGY: 1873600 683.9812 1913.5595 1958.6866 107.7094 1.6030 -1060.3387 0.0000 0.0000 2641.5202 6246.7214 291.7633 3605.2011 6279.6704 299.9668 PRESSURE: 1873800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1873800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1873800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1873800 0 0 0 0 0 0 0 0 0 TIMING: 1873800 CPU: 7486.88, 0.00394652/step Wall: 7486.88, 0.00394652/step, 0.686474 hours remaining, 114.421875 MB of memory in use. ENERGY: 1873800 667.7898 1866.2015 1967.2377 106.0724 3.7907 -1064.0487 0.0000 0.0000 2650.1927 6197.2362 292.7212 3547.0434 6226.7803 298.3913 PRESSURE: 1874000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1874000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1874000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1874000 0 0 0 0 0 0 0 0 0 TIMING: 1874000 CPU: 7487.67, 0.00394712/step Wall: 7487.67, 0.00394712/step, 0.686361 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1874000 608.4392 1830.2584 1940.4556 105.1945 2.3580 -1019.0445 0.0000 0.0000 2713.3885 6181.0497 299.7013 3467.6612 6214.0575 297.0898 PRESSURE: 1874200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1874200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1874200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1874200 0 0 0 0 0 0 0 0 0 TIMING: 1874200 CPU: 7488.46, 0.00394051/step Wall: 7488.46, 0.0039405/step, 0.684991 hours remaining, 114.421875 MB of memory in use. ENERGY: 1874200 639.7930 1848.7584 1989.3585 115.3522 -0.0239 -1059.6280 0.0000 0.0000 2661.7513 6195.3614 293.9978 3533.6101 6227.1111 296.5444 PRESSURE: 1874400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1874400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1874400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1874400 0 0 0 0 0 0 0 0 0 TIMING: 1874400 CPU: 7489.24, 0.00394686/step Wall: 7489.24, 0.00394687/step, 0.685878 hours remaining, 114.421875 MB of memory in use. ENERGY: 1874400 664.1181 1860.0492 1930.2813 106.7238 0.2696 -1059.5060 0.0000 0.0000 2728.3734 6230.3094 301.3564 3501.9359 6263.8433 298.9844 PRESSURE: 1874600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1874600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1874600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1874600 0 0 0 0 0 0 0 0 0 TIMING: 1874600 CPU: 7490.03, 0.00394699/step Wall: 7490.03, 0.00394699/step, 0.685679 hours remaining, 114.421875 MB of memory in use. ENERGY: 1874600 654.8918 1890.9620 1943.3564 117.6565 2.5484 -1069.3383 0.0000 0.0000 2749.1100 6289.1867 303.6469 3540.0767 6320.9735 299.4851 PRESSURE: 1874800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1874800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1874800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1874800 0 0 0 0 0 0 0 0 0 TIMING: 1874800 CPU: 7490.82, 0.00394715/step Wall: 7490.82, 0.00394715/step, 0.685488 hours remaining, 114.421875 MB of memory in use. ENERGY: 1874800 665.3099 1899.2624 1920.3537 111.6763 1.8511 -1060.1943 0.0000 0.0000 2771.4122 6309.6712 306.1102 3538.2590 6342.4118 302.7135 PRESSURE: 1875000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1875000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1875000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1875000 0 0 0 0 0 0 0 0 0 TIMING: 1875000 CPU: 7491.61, 0.00394712/step Wall: 7491.61, 0.00394712/step, 0.685264 hours remaining, 114.421875 MB of memory in use. ENERGY: 1875000 657.2606 1874.6339 1949.1366 110.7830 1.2356 -1025.8206 0.0000 0.0000 2724.5150 6291.7441 300.9303 3567.2291 6323.1850 303.0969 PRESSURE: 1875200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1875200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1875200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1875200 0 0 0 0 0 0 0 0 0 TIMING: 1875200 CPU: 7492.4, 0.00394057/step Wall: 7492.4, 0.00394057/step, 0.683908 hours remaining, 114.421875 MB of memory in use. ENERGY: 1875200 671.1190 1812.8938 1950.6714 104.2359 1.2998 -1061.5061 0.0000 0.0000 2796.6795 6275.3933 308.9010 3478.7138 6310.5989 301.5286 PRESSURE: 1875400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1875400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1875400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1875400 0 0 0 0 0 0 0 0 0 TIMING: 1875400 CPU: 7493.19, 0.00394763/step Wall: 7493.19, 0.00394763/step, 0.684914 hours remaining, 114.421875 MB of memory in use. ENERGY: 1875400 661.7929 1836.4466 1931.0992 110.5552 1.8968 -1055.4552 0.0000 0.0000 2790.0059 6276.3414 308.1639 3486.3355 6312.3101 303.4739 PRESSURE: 1875600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1875600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1875600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1875600 0 0 0 0 0 0 0 0 0 TIMING: 1875600 CPU: 7493.98, 0.00394622/step Wall: 7493.98, 0.00394622/step, 0.68445 hours remaining, 114.421875 MB of memory in use. ENERGY: 1875600 620.9808 1919.6784 1967.4628 103.9550 2.4297 -1093.0684 0.0000 0.0000 2701.2518 6222.6902 298.3608 3521.4384 6255.1141 300.5436 PRESSURE: 1875800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1875800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1875800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1875800 0 0 0 0 0 0 0 0 0 TIMING: 1875800 CPU: 7494.77, 0.00394696/step Wall: 7494.77, 0.00394696/step, 0.684359 hours remaining, 114.421875 MB of memory in use. ENERGY: 1875800 661.3354 1849.8733 1933.9242 105.3635 3.3111 -1057.1809 0.0000 0.0000 2711.3694 6207.9960 299.4783 3496.6266 6239.5927 300.2489 PRESSURE: 1876000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1876000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1876000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1876000 0 0 0 0 0 0 0 0 0 TIMING: 1876000 CPU: 7495.56, 0.00394584/step Wall: 7495.56, 0.00394584/step, 0.683946 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1876000 640.9297 1851.8839 1930.0966 113.4596 1.2659 -1057.6120 0.0000 0.0000 2749.0168 6229.0406 303.6366 3480.0238 6265.2562 299.3280 PRESSURE: 1876200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1876200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1876200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1876200 0 0 0 0 0 0 0 0 0 TIMING: 1876200 CPU: 7496.35, 0.00393883/step Wall: 7496.35, 0.00393883/step, 0.682512 hours remaining, 114.421875 MB of memory in use. ENERGY: 1876200 677.6952 1845.4400 1954.9014 103.8219 1.9613 -1087.7992 0.0000 0.0000 2732.1963 6228.2169 301.7787 3496.0206 6259.8997 302.4113 LDB: ============= START OF LOAD BALANCING ============== 7499.31 LDB: ============== END OF LOAD BALANCING =============== 7499.31 LDB: =============== DONE WITH MIGRATION ================ 7499.31 LDB: ============= START OF LOAD BALANCING ============== 7499.7 LDB: ============== END OF LOAD BALANCING =============== 7499.7 LDB: =============== DONE WITH MIGRATION ================ 7499.7 PRESSURE: 1876400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1876400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1876400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1876400 0 0 0 0 0 0 0 0 0 TIMING: 1876400 CPU: 7497.14, 0.00395132/step Wall: 7497.14, 0.00395132/step, 0.684457 hours remaining, 114.421875 MB of memory in use. ENERGY: 1876400 657.0429 1846.6943 1962.4184 105.4293 1.2126 -1069.3299 0.0000 0.0000 2714.7127 6218.1804 299.8476 3503.4676 6250.1386 301.2335 PRESSURE: 1876600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1876600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1876600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1876600 0 0 0 0 0 0 0 0 0 TIMING: 1876600 CPU: 7497.93, 0.00394593/step Wall: 7497.93, 0.00394593/step, 0.683304 hours remaining, 114.421875 MB of memory in use. ENERGY: 1876600 670.1247 1961.8684 1931.1367 103.0620 1.4695 -1099.6662 0.0000 0.0000 2679.3815 6247.3765 295.9451 3567.9951 6278.3656 299.6955 PRESSURE: 1876800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1876800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1876800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1876800 0 0 0 0 0 0 0 0 0 TIMING: 1876800 CPU: 7498.72, 0.00396005/step Wall: 7498.72, 0.00396005/step, 0.685528 hours remaining, 114.421875 MB of memory in use. ENERGY: 1876800 646.3211 1874.8114 1943.9927 114.3565 1.6091 -1070.3787 0.0000 0.0000 2723.5581 6234.2701 300.8246 3510.7120 6268.2429 301.4207 PRESSURE: 1877000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1877000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1877000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1877000 0 0 0 0 0 0 0 0 0 TIMING: 1877000 CPU: 7499.51, 0.00394222/step Wall: 7499.51, 0.00394222/step, 0.682224 hours remaining, 114.421875 MB of memory in use. ENERGY: 1877000 675.7369 1860.1357 1937.1360 110.7360 1.3741 -1066.1431 0.0000 0.0000 2725.4671 6244.4425 301.0354 3518.9755 6279.3442 300.7781 PRESSURE: 1877200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1877200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1877200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1877200 0 0 0 0 0 0 0 0 0 TIMING: 1877200 CPU: 7500.3, 0.00394958/step Wall: 7500.3, 0.00394958/step, 0.683278 hours remaining, 114.421875 MB of memory in use. ENERGY: 1877200 670.4858 1851.3814 1978.3044 110.0521 2.1103 -1080.9845 0.0000 0.0000 2719.9969 6251.3463 300.4312 3531.3494 6286.2063 301.4066 PRESSURE: 1877400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1877400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1877400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1877400 0 0 0 0 0 0 0 0 0 TIMING: 1877400 CPU: 7501.09, 0.00394773/step Wall: 7501.09, 0.00394772/step, 0.682737 hours remaining, 114.421875 MB of memory in use. ENERGY: 1877400 657.3305 1864.2231 1945.0212 112.5047 1.4832 -1067.2672 0.0000 0.0000 2763.4663 6276.7618 305.2326 3513.2955 6311.0245 302.3762 PRESSURE: 1877600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1877600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1877600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1877600 0 0 0 0 0 0 0 0 0 TIMING: 1877600 CPU: 7501.87, 0.00394484/step Wall: 7501.87, 0.00394485/step, 0.682021 hours remaining, 114.421875 MB of memory in use. ENERGY: 1877600 659.3610 1842.0666 1962.6801 104.8171 2.0011 -1065.0337 0.0000 0.0000 2756.6440 6262.5361 304.4790 3505.8922 6295.8504 302.0602 PRESSURE: 1877800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1877800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1877800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1877800 0 0 0 0 0 0 0 0 0 TIMING: 1877800 CPU: 7502.66, 0.00394633/step Wall: 7502.66, 0.00394633/step, 0.682057 hours remaining, 114.421875 MB of memory in use. ENERGY: 1877800 642.0660 1877.3100 1939.0294 104.4521 2.1811 -1057.7268 0.0000 0.0000 2726.9169 6234.2287 301.1956 3507.3118 6265.5261 302.5526 PRESSURE: 1878000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1878000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1878000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1878000 0 0 0 0 0 0 0 0 0 TIMING: 1878000 CPU: 7503.45, 0.00394325/step Wall: 7503.45, 0.00394325/step, 0.681307 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1878000 638.4236 1830.1905 1959.0398 108.9447 1.8298 -1057.0362 0.0000 0.0000 2792.0918 6273.4840 308.3943 3481.3922 6307.8328 303.6536 PRESSURE: 1878200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1878200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1878200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1878200 0 0 0 0 0 0 0 0 0 TIMING: 1878200 CPU: 7504.24, 0.00394745/step Wall: 7504.24, 0.00394745/step, 0.681813 hours remaining, 114.421875 MB of memory in use. ENERGY: 1878200 643.2807 1895.3081 1975.5169 105.2137 0.2632 -1076.0567 0.0000 0.0000 2744.5420 6288.0678 303.1423 3543.5258 6322.3152 303.2935 PRESSURE: 1878400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1878400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1878400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1878400 0 0 0 0 0 0 0 0 0 TIMING: 1878400 CPU: 7505.03, 0.00394745/step Wall: 7505.03, 0.00394745/step, 0.681592 hours remaining, 114.421875 MB of memory in use. ENERGY: 1878400 640.4145 1855.0690 1972.0721 121.0525 0.1511 -1077.2483 0.0000 0.0000 2748.0028 6259.5138 303.5246 3511.5110 6292.6487 303.7835 PRESSURE: 1878600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1878600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1878600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1878600 0 0 0 0 0 0 0 0 0 TIMING: 1878600 CPU: 7505.82, 0.00394796/step Wall: 7505.82, 0.00394796/step, 0.681462 hours remaining, 114.421875 MB of memory in use. ENERGY: 1878600 669.8708 1929.7469 1938.7655 104.0606 1.2540 -1111.5459 0.0000 0.0000 2767.7300 6299.8818 305.7035 3532.1519 6336.1329 304.3060 PRESSURE: 1878800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1878800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1878800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1878800 0 0 0 0 0 0 0 0 0 TIMING: 1878800 CPU: 7506.61, 0.00394752/step Wall: 7506.61, 0.00394752/step, 0.681167 hours remaining, 114.421875 MB of memory in use. ENERGY: 1878800 655.2779 1859.4826 1934.8974 105.1350 1.6788 -1050.0128 0.0000 0.0000 2743.4764 6249.9352 303.0246 3506.4588 6284.4694 302.3194 PRESSURE: 1879000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1879000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1879000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1879000 0 0 0 0 0 0 0 0 0 TIMING: 1879000 CPU: 7507.4, 0.00394216/step Wall: 7507.4, 0.00394216/step, 0.680023 hours remaining, 114.421875 MB of memory in use. ENERGY: 1879000 666.5102 1862.3396 1953.0332 103.2089 1.4186 -1082.8878 0.0000 0.0000 2806.6099 6310.2326 309.9979 3503.6227 6346.7898 301.0587 PRESSURE: 1879200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1879200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1879200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1879200 0 0 0 0 0 0 0 0 0 TIMING: 1879200 CPU: 7508.19, 0.00394543/step Wall: 7508.19, 0.00394543/step, 0.680367 hours remaining, 114.421875 MB of memory in use. ENERGY: 1879200 674.7746 1888.0587 1995.7193 109.5261 1.3319 -1062.3719 0.0000 0.0000 2680.6669 6287.7056 296.0871 3607.0387 6317.8551 303.8936 PRESSURE: 1879400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1879400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1879400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1879400 0 0 0 0 0 0 0 0 0 TIMING: 1879400 CPU: 7508.98, 0.00394579/step Wall: 7508.98, 0.00394579/step, 0.68021 hours remaining, 114.421875 MB of memory in use. ENERGY: 1879400 652.2592 1851.1283 1968.1346 108.3119 1.6994 -1028.8511 0.0000 0.0000 2667.8423 6220.5246 294.6706 3552.6823 6254.5455 300.3762 PRESSURE: 1879600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1879600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1879600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1879600 0 0 0 0 0 0 0 0 0 TIMING: 1879600 CPU: 7509.77, 0.00394768/step Wall: 7509.77, 0.00394768/step, 0.680316 hours remaining, 114.421875 MB of memory in use. ENERGY: 1879600 641.6879 1830.6963 1956.0338 100.9092 -0.2032 -1072.3025 0.0000 0.0000 2731.7008 6188.5224 301.7240 3456.8216 6222.2937 297.3994 PRESSURE: 1879800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1879800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1879800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1879800 0 0 0 0 0 0 0 0 0 TIMING: 1879800 CPU: 7510.56, 0.00394802/step Wall: 7510.56, 0.00394802/step, 0.680156 hours remaining, 114.421875 MB of memory in use. ENERGY: 1879800 681.0387 1848.0100 1995.8457 101.5023 0.7547 -1110.0062 0.0000 0.0000 2740.1168 6257.2620 302.6535 3517.1452 6291.4745 299.2867 PRESSURE: 1880000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1880000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1880000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1880000 0 0 0 0 0 0 0 0 0 TIMING: 1880000 CPU: 7511.34, 0.00394325/step Wall: 7511.34, 0.00394325/step, 0.679115 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1880000 659.3998 1844.6680 1994.2692 105.9754 0.5029 -1093.2491 0.0000 0.0000 2746.1573 6257.7236 303.3207 3511.5663 6289.0457 302.4075 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1880000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1880000 WRITING COORDINATES TO RESTART FILE AT STEP 1880000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1880000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1880200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1880200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1880200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1880200 0 0 0 0 0 0 0 0 0 TIMING: 1880200 CPU: 7513.5, 0.0107992/step Wall: 7513.5, 0.0107992/step, 1.85926 hours remaining, 114.421875 MB of memory in use. ENERGY: 1880200 647.3649 1881.0004 1982.7092 105.4372 0.9257 -1061.3235 0.0000 0.0000 2702.7171 6258.8309 298.5226 3556.1138 6290.7787 302.2923 LDB: ============= START OF LOAD BALANCING ============== 7516.46 LDB: ============== END OF LOAD BALANCING =============== 7516.46 LDB: =============== DONE WITH MIGRATION ================ 7516.46 LDB: ============= START OF LOAD BALANCING ============== 7516.86 LDB: ============== END OF LOAD BALANCING =============== 7516.86 LDB: =============== DONE WITH MIGRATION ================ 7516.86 PRESSURE: 1880400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1880400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1880400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1880400 0 0 0 0 0 0 0 0 0 TIMING: 1880400 CPU: 7514.3, 0.00395244/step Wall: 7514.3, 0.00395244/step, 0.68026 hours remaining, 114.421875 MB of memory in use. ENERGY: 1880400 685.5836 1818.9292 1952.9452 104.3677 -0.7481 -1043.2140 0.0000 0.0000 2750.9391 6268.8027 303.8489 3517.8636 6303.8112 302.8652 PRESSURE: 1880600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1880600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1880600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1880600 0 0 0 0 0 0 0 0 0 TIMING: 1880600 CPU: 7515.08, 0.00394657/step Wall: 7515.08, 0.00394657/step, 0.679029 hours remaining, 114.421875 MB of memory in use. ENERGY: 1880600 656.9627 1857.8198 1942.0040 116.9501 1.4992 -1039.3013 0.0000 0.0000 2728.5703 6264.5048 301.3782 3535.9346 6296.4536 301.7527 PRESSURE: 1880800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1880800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1880800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1880800 0 0 0 0 0 0 0 0 0 TIMING: 1880800 CPU: 7515.87, 0.00394642/step Wall: 7515.87, 0.00394642/step, 0.678783 hours remaining, 114.421875 MB of memory in use. ENERGY: 1880800 658.8329 1881.6694 1953.3956 100.6209 1.4809 -1051.9143 0.0000 0.0000 2729.5217 6273.6073 301.4833 3544.0856 6310.4406 302.1361 PRESSURE: 1881000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1881000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1881000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1881000 0 0 0 0 0 0 0 0 0 TIMING: 1881000 CPU: 7516.66, 0.00394786/step Wall: 7516.66, 0.00394786/step, 0.678813 hours remaining, 114.421875 MB of memory in use. ENERGY: 1881000 701.7199 1864.7863 1957.1396 104.6690 1.2976 -1029.9022 0.0000 0.0000 2669.6965 6269.4067 294.8754 3599.7102 6302.6100 301.0949 PRESSURE: 1881200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1881200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1881200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1881200 0 0 0 0 0 0 0 0 0 TIMING: 1881200 CPU: 7517.45, 0.00394279/step Wall: 7517.45, 0.00394279/step, 0.677721 hours remaining, 114.421875 MB of memory in use. ENERGY: 1881200 664.0015 1813.5339 1929.6302 105.2680 0.8088 -1061.3875 0.0000 0.0000 2734.6579 6186.5127 302.0506 3451.8548 6218.4023 299.3527 PRESSURE: 1881400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1881400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1881400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1881400 0 0 0 0 0 0 0 0 0 TIMING: 1881400 CPU: 7518.24, 0.00394571/step Wall: 7518.24, 0.00394571/step, 0.678005 hours remaining, 114.421875 MB of memory in use. ENERGY: 1881400 629.7683 1871.1604 1927.7495 107.3518 1.4272 -1063.1844 0.0000 0.0000 2717.0323 6191.3051 300.1038 3474.2728 6222.3982 298.8604 PRESSURE: 1881600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1881600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1881600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1881600 0 0 0 0 0 0 0 0 0 TIMING: 1881600 CPU: 7519.03, 0.00394464/step Wall: 7519.03, 0.00394464/step, 0.677601 hours remaining, 114.421875 MB of memory in use. ENERGY: 1881600 640.0218 1840.7358 1974.2403 103.9487 1.6494 -1070.2118 0.0000 0.0000 2653.2215 6143.6056 293.0557 3490.3841 6174.3250 297.6803 PRESSURE: 1881800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1881800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1881800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1881800 0 0 0 0 0 0 0 0 0 TIMING: 1881800 CPU: 7519.82, 0.00394426/step Wall: 7519.82, 0.00394426/step, 0.677318 hours remaining, 114.421875 MB of memory in use. ENERGY: 1881800 627.4327 1892.5222 1936.9541 98.2342 2.4388 -1048.1287 0.0000 0.0000 2676.3218 6185.7752 295.6072 3509.4534 6218.5800 296.1520 PRESSURE: 1882000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1882000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1882000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1882000 0 0 0 0 0 0 0 0 0 TIMING: 1882000 CPU: 7520.61, 0.00394464/step Wall: 7520.61, 0.00394464/step, 0.677163 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1882000 627.6002 1837.6541 1967.4143 109.2325 0.3091 -1097.1162 0.0000 0.0000 2724.3172 6169.4113 300.9084 3445.0940 6204.5966 296.7406 PRESSURE: 1882200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1882200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1882200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1882200 0 0 0 0 0 0 0 0 0 TIMING: 1882200 CPU: 7521.4, 0.00394033/step Wall: 7521.4, 0.00394033/step, 0.676205 hours remaining, 114.421875 MB of memory in use. ENERGY: 1882200 650.5101 1863.4603 1955.8852 100.4590 1.1563 -1093.8202 0.0000 0.0000 2739.4617 6217.1124 302.5812 3477.6508 6251.3853 299.6747 PRESSURE: 1882400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1882400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1882400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1882400 0 0 0 0 0 0 0 0 0 TIMING: 1882400 CPU: 7522.18, 0.00394596/step Wall: 7522.18, 0.00394595/step, 0.676949 hours remaining, 114.421875 MB of memory in use. ENERGY: 1882400 670.9569 1800.1417 1952.7132 121.6790 0.5340 -1070.5623 0.0000 0.0000 2735.8047 6211.2673 302.1772 3475.4626 6245.6714 298.4882 PRESSURE: 1882600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1882600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1882600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1882600 0 0 0 0 0 0 0 0 0 TIMING: 1882600 CPU: 7522.97, 0.00394403/step Wall: 7522.97, 0.00394404/step, 0.676402 hours remaining, 114.421875 MB of memory in use. ENERGY: 1882600 688.2198 1913.3425 1955.6131 111.4613 1.1245 -1108.7975 0.0000 0.0000 2713.2423 6274.2062 299.6852 3560.9638 6305.1829 300.5477 PRESSURE: 1882800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1882800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1882800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1882800 0 0 0 0 0 0 0 0 0 TIMING: 1882800 CPU: 7523.76, 0.00394583/step Wall: 7523.76, 0.00394583/step, 0.67649 hours remaining, 114.421875 MB of memory in use. ENERGY: 1882800 692.0591 1901.4192 1970.2683 121.6378 0.5331 -1133.6859 0.0000 0.0000 2696.9994 6249.2310 297.8911 3552.2317 6281.3846 301.3263 PRESSURE: 1883000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1883000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1883000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1883000 0 0 0 0 0 0 0 0 0 TIMING: 1883000 CPU: 7524.55, 0.00394147/step Wall: 7524.55, 0.00394147/step, 0.675524 hours remaining, 114.421875 MB of memory in use. ENERGY: 1883000 690.9291 1878.9234 1973.1346 112.6610 1.1318 -1096.5631 0.0000 0.0000 2659.2708 6219.4876 293.7239 3560.2168 6251.5991 298.8555 PRESSURE: 1883200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1883200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1883200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1883200 0 0 0 0 0 0 0 0 0 TIMING: 1883200 CPU: 7525.34, 0.00394662/step Wall: 7525.34, 0.00394662/step, 0.676188 hours remaining, 114.421875 MB of memory in use. ENERGY: 1883200 632.1899 1858.3310 1980.3297 101.1843 0.5342 -1088.2378 0.0000 0.0000 2669.6181 6153.9494 294.8668 3484.3313 6188.9153 297.0413 PRESSURE: 1883400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1883400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1883400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1883400 0 0 0 0 0 0 0 0 0 TIMING: 1883400 CPU: 7527.22, 0.00938229/step Wall: 7527.22, 0.00938229/step, 1.60698 hours remaining, 114.421875 MB of memory in use. ENERGY: 1883400 620.2151 1802.3376 1984.0195 113.2659 0.9663 -1046.9291 0.0000 0.0000 2678.0883 6151.9635 295.8023 3473.8752 6185.5339 296.2653 PRESSURE: 1883600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1883600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1883600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1883600 0 0 0 0 0 0 0 0 0 TIMING: 1883600 CPU: 7528.01, 0.00398428/step Wall: 7528.01, 0.00398428/step, 0.682197 hours remaining, 114.421875 MB of memory in use. ENERGY: 1883600 662.9739 1857.9854 1968.9384 104.2811 0.9698 -1089.8098 0.0000 0.0000 2646.9564 6152.2952 292.3637 3505.3388 6182.5255 295.8585 PRESSURE: 1883800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1883800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1883800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1883800 0 0 0 0 0 0 0 0 0 TIMING: 1883800 CPU: 7528.8, 0.00394485/step Wall: 7528.8, 0.00394485/step, 0.675228 hours remaining, 114.421875 MB of memory in use. ENERGY: 1883800 673.2008 1795.2785 1968.7507 116.4784 0.5674 -1081.7772 0.0000 0.0000 2747.7967 6220.2953 303.5018 3472.4986 6252.1861 298.0150 PRESSURE: 1884000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1884000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1884000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1884000 0 0 0 0 0 0 0 0 0 TIMING: 1884000 CPU: 7529.59, 0.00394437/step Wall: 7529.59, 0.00394437/step, 0.674926 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1884000 686.1550 1806.3090 1954.3180 104.9497 1.5042 -1097.6433 0.0000 0.0000 2702.1647 6157.7575 298.4616 3455.5927 6191.3173 298.7960 PRESSURE: 1884200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1884200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1884200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1884200 0 0 0 0 0 0 0 0 0 TIMING: 1884200 CPU: 7530.38, 0.0039409/step Wall: 7530.38, 0.0039409/step, 0.674113 hours remaining, 114.421875 MB of memory in use. ENERGY: 1884200 633.1670 1835.7525 1966.8612 123.2879 0.8990 -1076.3693 0.0000 0.0000 2625.7853 6109.3836 290.0253 3483.5983 6141.3658 296.5047 LDB: ============= START OF LOAD BALANCING ============== 7533.34 LDB: ============== END OF LOAD BALANCING =============== 7533.34 LDB: =============== DONE WITH MIGRATION ================ 7533.34 LDB: ============= START OF LOAD BALANCING ============== 7533.73 LDB: ============== END OF LOAD BALANCING =============== 7533.73 LDB: =============== DONE WITH MIGRATION ================ 7533.73 PRESSURE: 1884400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1884400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1884400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1884400 0 0 0 0 0 0 0 0 0 TIMING: 1884400 CPU: 7531.17, 0.0039505/step Wall: 7531.17, 0.0039505/step, 0.675535 hours remaining, 114.421875 MB of memory in use. ENERGY: 1884400 648.7788 1820.1016 1968.8446 110.2713 1.7121 -1082.6383 0.0000 0.0000 2671.8225 6138.8927 295.1102 3467.0702 6169.8548 296.6818 PRESSURE: 1884600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1884600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1884600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1884600 0 0 0 0 0 0 0 0 0 TIMING: 1884600 CPU: 7531.96, 0.0039443/step Wall: 7531.96, 0.0039443/step, 0.674256 hours remaining, 114.421875 MB of memory in use. ENERGY: 1884600 640.3167 1773.8973 1964.5409 105.6102 2.8511 -1057.0543 0.0000 0.0000 2684.0065 6114.1685 296.4560 3430.1620 6146.6608 296.8873 PRESSURE: 1884800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1884800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1884800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1884800 0 0 0 0 0 0 0 0 0 TIMING: 1884800 CPU: 7532.75, 0.00394393/step Wall: 7532.75, 0.00394393/step, 0.673974 hours remaining, 114.421875 MB of memory in use. ENERGY: 1884800 665.4548 1804.8305 1968.6845 96.6208 3.4529 -1070.2453 0.0000 0.0000 2687.2894 6156.0877 296.8186 3468.7982 6190.0900 297.4192 PRESSURE: 1885000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1885000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1885000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1885000 0 0 0 0 0 0 0 0 0 TIMING: 1885000 CPU: 7533.54, 0.0039402/step Wall: 7533.54, 0.0039402/step, 0.673118 hours remaining, 114.421875 MB of memory in use. ENERGY: 1885000 674.0001 1850.1017 1970.2249 110.5260 2.3491 -1095.7427 0.0000 0.0000 2691.5687 6203.0278 297.2913 3511.4592 6236.2579 297.2022 PRESSURE: 1885200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1885200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1885200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1885200 0 0 0 0 0 0 0 0 0 TIMING: 1885200 CPU: 7534.32, 0.00394524/step Wall: 7534.32, 0.00394524/step, 0.67376 hours remaining, 114.421875 MB of memory in use. ENERGY: 1885200 659.4849 1852.7372 1965.6812 118.8684 1.9361 -1072.5924 0.0000 0.0000 2714.7772 6240.8927 299.8547 3526.1154 6271.0477 299.9886 PRESSURE: 1885400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1885400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1885400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1885400 0 0 0 0 0 0 0 0 0 TIMING: 1885400 CPU: 7535.11, 0.00394588/step Wall: 7535.11, 0.00394587/step, 0.673648 hours remaining, 114.421875 MB of memory in use. ENERGY: 1885400 672.0585 1830.5588 1960.8950 123.2056 1.5826 -1087.6970 0.0000 0.0000 2766.3346 6266.9381 305.5494 3500.6035 6300.2362 301.6928 PRESSURE: 1885600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1885600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1885600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1885600 0 0 0 0 0 0 0 0 0 TIMING: 1885600 CPU: 7535.9, 0.00394436/step Wall: 7535.9, 0.00394436/step, 0.673172 hours remaining, 114.421875 MB of memory in use. ENERGY: 1885600 646.8004 1861.3344 1985.8362 121.4808 1.3676 -1077.2626 0.0000 0.0000 2809.3630 6348.9198 310.3020 3539.5568 6388.0888 304.5710 PRESSURE: 1885800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1885800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1885800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1885800 0 0 0 0 0 0 0 0 0 TIMING: 1885800 CPU: 7536.69, 0.00394334/step Wall: 7536.69, 0.00394334/step, 0.672778 hours remaining, 114.421875 MB of memory in use. ENERGY: 1885800 630.9968 1815.8102 1987.9381 111.3459 3.3320 -1032.6312 0.0000 0.0000 2723.0833 6239.8751 300.7721 3516.7918 6272.4204 304.9673 PRESSURE: 1886000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1886000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1886000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1886000 0 0 0 0 0 0 0 0 0 TIMING: 1886000 CPU: 7537.48, 0.00393818/step Wall: 7537.48, 0.00393818/step, 0.671679 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1886000 635.4453 1788.8680 1967.0943 128.0704 1.8606 -1064.0100 0.0000 0.0000 2728.1484 6185.4770 301.3316 3457.3286 6219.9180 300.4710 PRESSURE: 1886200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1886200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1886200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1886200 0 0 0 0 0 0 0 0 0 TIMING: 1886200 CPU: 7538.27, 0.00394491/step Wall: 7538.27, 0.00394491/step, 0.672607 hours remaining, 114.421875 MB of memory in use. ENERGY: 1886200 666.9235 1853.8716 1978.2467 94.4925 2.9222 -1120.8810 0.0000 0.0000 2692.6064 6168.1819 297.4059 3475.5755 6202.5405 298.2914 PRESSURE: 1886400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1886400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1886400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1886400 0 0 0 0 0 0 0 0 0 TIMING: 1886400 CPU: 7539.06, 0.0039617/step Wall: 7539.06, 0.0039617/step, 0.675251 hours remaining, 114.421875 MB of memory in use. ENERGY: 1886400 625.1270 1844.5194 1966.6195 119.1469 1.2795 -1071.0374 0.0000 0.0000 2680.6089 6166.2638 296.0807 3485.6549 6196.4389 296.9127 PRESSURE: 1886600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1886600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1886600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1886600 0 0 0 0 0 0 0 0 0 TIMING: 1886600 CPU: 7539.85, 0.00394108/step Wall: 7539.85, 0.00394108/step, 0.671516 hours remaining, 114.421875 MB of memory in use. ENERGY: 1886600 631.8882 1839.7343 1940.5452 121.4155 0.8976 -1073.5108 0.0000 0.0000 2718.2086 6179.1785 300.2337 3460.9699 6213.7636 296.4733 PRESSURE: 1886800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1886800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1886800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1886800 0 0 0 0 0 0 0 0 0 TIMING: 1886800 CPU: 7540.64, 0.00394363/step Wall: 7540.64, 0.00394363/step, 0.671732 hours remaining, 114.421875 MB of memory in use. ENERGY: 1886800 619.2830 1857.6770 1921.2415 98.7056 2.4979 -1067.9629 0.0000 0.0000 2715.5511 6146.9932 299.9402 3431.4420 6182.0468 295.7764 PRESSURE: 1887000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1887000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1887000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1887000 0 0 0 0 0 0 0 0 0 TIMING: 1887000 CPU: 7541.43, 0.00394192/step Wall: 7541.43, 0.00394192/step, 0.671221 hours remaining, 114.421875 MB of memory in use. ENERGY: 1887000 636.4514 1863.2212 1953.3447 117.5716 1.2596 -1087.8767 0.0000 0.0000 2682.9439 6166.9157 296.3386 3483.9718 6202.2604 298.8654 PRESSURE: 1887200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1887200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1887200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1887200 0 0 0 0 0 0 0 0 0 TIMING: 1887200 CPU: 7542.21, 0.00394258/step Wall: 7542.21, 0.00394258/step, 0.671114 hours remaining, 114.421875 MB of memory in use. ENERGY: 1887200 649.5444 1825.7265 1931.2014 99.2839 1.3503 -1066.2086 0.0000 0.0000 2694.8858 6135.7836 297.6576 3440.8979 6167.1225 296.7984 PRESSURE: 1887400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1887400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1887400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1887400 0 0 0 0 0 0 0 0 0 TIMING: 1887400 CPU: 7543, 0.00394226/step Wall: 7543, 0.00394226/step, 0.670842 hours remaining, 114.421875 MB of memory in use. ENERGY: 1887400 640.2869 1838.8448 1965.1189 105.7892 1.8284 -1087.5898 0.0000 0.0000 2640.8664 6105.1447 291.6910 3464.2783 6138.9781 293.6289 PRESSURE: 1887600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1887600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1887600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1887600 0 0 0 0 0 0 0 0 0 TIMING: 1887600 CPU: 7543.79, 0.00394377/step Wall: 7543.79, 0.00394377/step, 0.670878 hours remaining, 114.421875 MB of memory in use. ENERGY: 1887600 624.4094 1848.0420 1941.9683 113.6623 1.6386 -1085.1004 0.0000 0.0000 2685.3752 6129.9953 296.6072 3444.6201 6163.0675 293.5459 PRESSURE: 1887800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1887800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1887800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1887800 0 0 0 0 0 0 0 0 0 TIMING: 1887800 CPU: 7544.58, 0.00393991/step Wall: 7544.58, 0.00393991/step, 0.670003 hours remaining, 114.421875 MB of memory in use. ENERGY: 1887800 655.5697 1803.7512 1982.3904 116.2864 0.3073 -1098.1501 0.0000 0.0000 2637.5565 6097.7113 291.3255 3460.1548 6129.8135 293.1717 PRESSURE: 1888000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1888000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1888000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1888000 0 0 0 0 0 0 0 0 0 TIMING: 1888000 CPU: 7545.37, 0.00395479/step Wall: 7545.37, 0.00395479/step, 0.672314 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1888000 639.4087 1806.4686 1973.3328 113.5041 1.6599 -1049.7916 0.0000 0.0000 2683.8600 6168.4425 296.4398 3484.5824 6201.1625 294.9484 PRESSURE: 1888200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1888200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1888200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1888200 0 0 0 0 0 0 0 0 0 TIMING: 1888200 CPU: 7546.16, 0.00394642/step Wall: 7546.16, 0.00394642/step, 0.670671 hours remaining, 114.421875 MB of memory in use. ENERGY: 1888200 666.1544 1847.8166 1958.3404 99.5200 1.4101 -1078.2196 0.0000 0.0000 2654.6381 6149.6600 293.2122 3495.0219 6179.8825 297.3516 LDB: ============= START OF LOAD BALANCING ============== 7549.12 LDB: ============== END OF LOAD BALANCING =============== 7549.12 LDB: =============== DONE WITH MIGRATION ================ 7549.12 LDB: ============= START OF LOAD BALANCING ============== 7549.51 LDB: ============== END OF LOAD BALANCING =============== 7549.51 LDB: =============== DONE WITH MIGRATION ================ 7549.51 PRESSURE: 1888400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1888400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1888400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1888400 0 0 0 0 0 0 0 0 0 TIMING: 1888400 CPU: 7546.95, 0.00394845/step Wall: 7546.95, 0.00394845/step, 0.670799 hours remaining, 114.421875 MB of memory in use. ENERGY: 1888400 613.6980 1845.7925 1934.7213 105.5577 1.4610 -1112.6431 0.0000 0.0000 2648.0631 6036.6504 292.4859 3388.5874 6067.9891 292.3561 PRESSURE: 1888600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1888600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1888600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1888600 0 0 0 0 0 0 0 0 0 TIMING: 1888600 CPU: 7547.74, 0.00394251/step Wall: 7547.74, 0.00394251/step, 0.66957 hours remaining, 114.421875 MB of memory in use. ENERGY: 1888600 635.3847 1874.5393 1930.5886 104.1657 1.5027 -1079.9661 0.0000 0.0000 2609.4846 6075.6995 288.2248 3466.2149 6105.8208 293.1803 PRESSURE: 1888800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1888800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1888800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1888800 0 0 0 0 0 0 0 0 0 TIMING: 1888800 CPU: 7548.53, 0.00393836/step Wall: 7548.53, 0.00393836/step, 0.668647 hours remaining, 114.421875 MB of memory in use. ENERGY: 1888800 655.5601 1865.5779 1926.2551 100.2836 1.9476 -1073.3075 0.0000 0.0000 2623.4048 6099.7217 289.7624 3476.3168 6132.3088 293.4661 PRESSURE: 1889000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1889000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1889000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1889000 0 0 0 0 0 0 0 0 0 TIMING: 1889000 CPU: 7549.31, 0.00394098/step Wall: 7549.31, 0.00394098/step, 0.668871 hours remaining, 114.421875 MB of memory in use. ENERGY: 1889000 652.8583 1837.5573 1946.1065 111.7993 1.5741 -1125.1375 0.0000 0.0000 2693.4912 6118.2492 297.5036 3424.7580 6151.7819 295.4196 PRESSURE: 1889200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1889200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1889200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1889200 0 0 0 0 0 0 0 0 0 TIMING: 1889200 CPU: 7550.1, 0.00394143/step Wall: 7550.1, 0.00394143/step, 0.66873 hours remaining, 114.421875 MB of memory in use. ENERGY: 1889200 639.3071 1887.3623 1951.3592 104.9718 1.8975 -1087.0130 0.0000 0.0000 2654.8479 6152.7328 293.2353 3497.8850 6185.9801 297.4080 PRESSURE: 1889400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1889400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1889400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1889400 0 0 0 0 0 0 0 0 0 TIMING: 1889400 CPU: 7550.89, 0.0039404/step Wall: 7550.89, 0.0039404/step, 0.668336 hours remaining, 114.421875 MB of memory in use. ENERGY: 1889400 646.9288 1833.5920 1981.8394 111.2152 1.9211 -1077.7048 0.0000 0.0000 2726.0588 6223.8506 301.1008 3497.7918 6259.4269 298.8398 PRESSURE: 1889600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1889600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1889600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1889600 0 0 0 0 0 0 0 0 0 TIMING: 1889600 CPU: 7551.68, 0.00394112/step Wall: 7551.68, 0.00394112/step, 0.668238 hours remaining, 114.421875 MB of memory in use. ENERGY: 1889600 700.1354 1867.7326 1949.1650 109.2472 2.8725 -1091.6478 0.0000 0.0000 2700.3002 6237.8052 298.2557 3537.5049 6271.3416 301.6640 PRESSURE: 1889800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1889800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1889800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1889800 0 0 0 0 0 0 0 0 0 TIMING: 1889800 CPU: 7552.47, 0.00393909/step Wall: 7552.47, 0.00393909/step, 0.667675 hours remaining, 114.421875 MB of memory in use. ENERGY: 1889800 648.9395 1837.5058 1920.4262 92.9158 1.9799 -1067.4768 0.0000 0.0000 2774.8245 6209.1148 306.4871 3434.2903 6246.4891 302.6361 PRESSURE: 1890000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1890000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1890000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1890000 0 0 0 0 0 0 0 0 0 TIMING: 1890000 CPU: 7553.25, 0.00394248/step Wall: 7553.25, 0.00394248/step, 0.668031 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1890000 632.6221 1840.2075 1936.5761 110.3691 0.7240 -1067.2414 0.0000 0.0000 2731.9227 6185.1801 301.7485 3453.2574 6219.5532 298.2225 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1890000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1890000 WRITING COORDINATES TO RESTART FILE AT STEP 1890000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1890000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1890200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1890200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1890200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1890200 0 0 0 0 0 0 0 0 0 TIMING: 1890200 CPU: 7555.42, 0.0108476/step Wall: 7555.42, 0.0108476/step, 1.83747 hours remaining, 114.421875 MB of memory in use. ENERGY: 1890200 636.6911 1837.2061 1953.5627 116.2254 1.0212 -1052.9782 0.0000 0.0000 2712.7498 6204.4781 299.6308 3491.7283 6238.6030 298.6864 PRESSURE: 1890400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1890400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1890400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1890400 0 0 0 0 0 0 0 0 0 TIMING: 1890400 CPU: 7556.21, 0.00394308/step Wall: 7556.21, 0.00394308/step, 0.667696 hours remaining, 114.421875 MB of memory in use. ENERGY: 1890400 619.7790 1809.0770 1944.7906 109.9739 1.9586 -1049.8225 0.0000 0.0000 2763.1464 6198.9029 305.1972 3435.7565 6235.0398 299.3208 PRESSURE: 1890600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1890600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1890600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1890600 0 0 0 0 0 0 0 0 0 TIMING: 1890600 CPU: 7557, 0.00394332/step Wall: 7557, 0.00394332/step, 0.667516 hours remaining, 114.421875 MB of memory in use. ENERGY: 1890600 652.9878 1879.3732 1961.0982 105.8393 0.5621 -1096.0127 0.0000 0.0000 2636.5426 6140.3905 291.2135 3503.8479 6173.5014 297.8066 PRESSURE: 1890800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1890800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1890800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1890800 0 0 0 0 0 0 0 0 0 TIMING: 1890800 CPU: 7557.79, 0.003943/step Wall: 7557.79, 0.003943/step, 0.667244 hours remaining, 114.421875 MB of memory in use. ENERGY: 1890800 613.1707 1818.1197 1965.6546 111.4386 1.3773 -1094.5729 0.0000 0.0000 2710.3655 6125.5534 299.3674 3415.1880 6160.9758 296.5189 PRESSURE: 1891000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1891000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1891000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1891000 0 0 0 0 0 0 0 0 0 TIMING: 1891000 CPU: 7558.58, 0.00394106/step Wall: 7558.58, 0.00394106/step, 0.666695 hours remaining, 114.421875 MB of memory in use. ENERGY: 1891000 671.7906 1855.8407 1934.0655 119.4708 1.1532 -1081.3178 0.0000 0.0000 2673.6693 6174.6722 295.3142 3501.0029 6206.9159 296.8506 PRESSURE: 1891200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1891200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1891200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1891200 0 0 0 0 0 0 0 0 0 TIMING: 1891200 CPU: 7559.37, 0.00394267/step Wall: 7559.37, 0.00394267/step, 0.66675 hours remaining, 114.421875 MB of memory in use. ENERGY: 1891200 690.8772 1846.3834 1961.7580 112.1873 0.8552 -1101.8333 0.0000 0.0000 2654.8752 6165.1030 293.2384 3510.2278 6197.8995 297.2781 PRESSURE: 1891400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1891400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1891400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1891400 0 0 0 0 0 0 0 0 0 TIMING: 1891400 CPU: 7560.15, 0.00394096/step Wall: 7560.15, 0.00394096/step, 0.666242 hours remaining, 114.421875 MB of memory in use. ENERGY: 1891400 632.4762 1864.8432 1932.7314 108.8464 2.1636 -1099.0451 0.0000 0.0000 2736.4282 6178.4440 302.2461 3442.0158 6214.6838 296.9918 PRESSURE: 1891600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1891600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1891600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1891600 0 0 0 0 0 0 0 0 0 TIMING: 1891600 CPU: 7562.52, 0.0118311/step Wall: 7562.52, 0.0118311/step, 1.99946 hours remaining, 114.421875 MB of memory in use. ENERGY: 1891600 681.2682 1866.1308 1951.8570 114.8112 0.9297 -1098.6200 0.0000 0.0000 2685.5810 6201.9580 296.6299 3516.3770 6234.5283 298.9226 PRESSURE: 1891800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1891800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1891800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1891800 0 0 0 0 0 0 0 0 0 TIMING: 1891800 CPU: 7563.31, 0.00396562/step Wall: 7563.31, 0.00396562/step, 0.669969 hours remaining, 114.421875 MB of memory in use. ENERGY: 1891800 675.2365 1847.3756 1962.7577 102.5051 1.2604 -1086.0363 0.0000 0.0000 2737.7410 6240.8400 302.3911 3503.0990 6275.5823 299.9267 PRESSURE: 1892000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1892000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1892000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1892000 0 0 0 0 0 0 0 0 0 TIMING: 1892000 CPU: 7564.1, 0.0039401/step Wall: 7564.1, 0.0039401/step, 0.66544 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1892000 646.6227 1872.3119 1977.1834 112.5691 1.7469 -1076.8993 0.0000 0.0000 2704.8284 6238.3631 298.7558 3533.5347 6269.2739 300.1183 PRESSURE: 1892200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1892200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1892200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1892200 0 0 0 0 0 0 0 0 0 TIMING: 1892200 CPU: 7564.89, 0.00394104/step Wall: 7564.89, 0.00394104/step, 0.665379 hours remaining, 114.421875 MB of memory in use. ENERGY: 1892200 647.0119 1899.3969 1958.3354 113.1031 1.5434 -1087.5132 0.0000 0.0000 2720.5282 6252.4057 300.4899 3531.8775 6283.0362 302.4177 LDB: ============= START OF LOAD BALANCING ============== 7567.85 LDB: ============== END OF LOAD BALANCING =============== 7567.85 LDB: =============== DONE WITH MIGRATION ================ 7567.85 LDB: ============= START OF LOAD BALANCING ============== 7568.24 LDB: ============== END OF LOAD BALANCING =============== 7568.24 LDB: =============== DONE WITH MIGRATION ================ 7568.24 PRESSURE: 1892400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1892400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1892400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1892400 0 0 0 0 0 0 0 0 0 TIMING: 1892400 CPU: 7565.68, 0.00394474/step Wall: 7565.68, 0.00394474/step, 0.665784 hours remaining, 114.421875 MB of memory in use. ENERGY: 1892400 645.3770 1904.1190 1946.9479 91.7469 0.5987 -1077.1103 0.0000 0.0000 2727.3942 6239.0735 301.2483 3511.6793 6272.3207 299.6081 PRESSURE: 1892600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1892600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1892600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1892600 0 0 0 0 0 0 0 0 0 TIMING: 1892600 CPU: 7566.47, 0.00393847/step Wall: 7566.47, 0.00393847/step, 0.664508 hours remaining, 114.421875 MB of memory in use. ENERGY: 1892600 674.9343 1833.2547 1978.2713 104.1546 2.0668 -1079.1448 0.0000 0.0000 2722.1919 6235.7288 300.6737 3513.5369 6268.5035 302.4753 PRESSURE: 1892800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1892800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1892800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1892800 0 0 0 0 0 0 0 0 0 TIMING: 1892800 CPU: 7567.26, 0.00394104/step Wall: 7567.26, 0.00394104/step, 0.664722 hours remaining, 114.421875 MB of memory in use. ENERGY: 1892800 664.3792 1856.9746 1975.4278 111.8651 1.9553 -1083.9856 0.0000 0.0000 2724.9490 6251.5655 300.9782 3526.6164 6286.7378 301.2591 PRESSURE: 1893000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1893000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1893000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1893000 0 0 0 0 0 0 0 0 0 TIMING: 1893000 CPU: 7568.04, 0.00394062/step Wall: 7568.04, 0.00394062/step, 0.664432 hours remaining, 114.421875 MB of memory in use. ENERGY: 1893000 630.3807 1852.1685 1957.5830 98.2837 2.0580 -1061.9998 0.0000 0.0000 2773.5593 6252.0335 306.3474 3478.4742 6287.6812 301.9611 PRESSURE: 1893200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1893200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1893200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1893200 0 0 0 0 0 0 0 0 0 TIMING: 1893200 CPU: 7568.83, 0.00393961/step Wall: 7568.83, 0.00393961/step, 0.664043 hours remaining, 114.421875 MB of memory in use. ENERGY: 1893200 655.1942 1852.2532 2008.7853 123.1498 1.4243 -1086.2960 0.0000 0.0000 2722.9308 6277.4416 300.7553 3554.5108 6310.7414 302.2074 PRESSURE: 1893400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1893400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1893400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1893400 0 0 0 0 0 0 0 0 0 TIMING: 1893400 CPU: 7569.62, 0.00393681/step Wall: 7569.62, 0.00393681/step, 0.663353 hours remaining, 114.421875 MB of memory in use. ENERGY: 1893400 652.3129 1865.4481 1983.6276 127.6049 1.0725 -1069.9631 0.0000 0.0000 2689.5366 6249.6396 297.0668 3560.1029 6281.8919 301.6846 PRESSURE: 1893600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1893600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1893600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1893600 0 0 0 0 0 0 0 0 0 TIMING: 1893600 CPU: 7570.41, 0.00393956/step Wall: 7570.41, 0.00393956/step, 0.663597 hours remaining, 114.421875 MB of memory in use. ENERGY: 1893600 660.8350 1833.1694 1974.9649 113.1912 1.5151 -1089.4642 0.0000 0.0000 2710.0228 6204.2342 299.3296 3494.2114 6235.1427 298.6854 PRESSURE: 1893800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1893800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1893800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1893800 0 0 0 0 0 0 0 0 0 TIMING: 1893800 CPU: 7571.19, 0.00394074/step Wall: 7571.19, 0.00394074/step, 0.663577 hours remaining, 114.421875 MB of memory in use. ENERGY: 1893800 648.7544 1849.5109 1967.9897 113.4969 2.2867 -1072.3690 0.0000 0.0000 2702.1947 6211.8642 298.4649 3509.6695 6244.6686 298.9341 PRESSURE: 1894000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1894000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1894000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1894000 0 0 0 0 0 0 0 0 0 TIMING: 1894000 CPU: 7571.98, 0.00393896/step Wall: 7571.98, 0.00393896/step, 0.663057 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1894000 620.8005 1824.0419 1974.1550 105.4768 2.4756 -1076.6023 0.0000 0.0000 2714.8960 6165.2436 299.8678 3450.3476 6197.3163 297.7568 PRESSURE: 1894200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1894200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1894200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1894200 0 0 0 0 0 0 0 0 0 TIMING: 1894200 CPU: 7572.77, 0.00393906/step Wall: 7572.77, 0.00393906/step, 0.662856 hours remaining, 114.421875 MB of memory in use. ENERGY: 1894200 648.9576 1925.6407 1969.4173 102.5330 2.2295 -1069.3334 0.0000 0.0000 2619.7084 6199.1531 289.3541 3579.4447 6230.3981 296.5722 PRESSURE: 1894400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1894400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1894400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1894400 0 0 0 0 0 0 0 0 0 TIMING: 1894400 CPU: 7573.56, 0.00393686/step Wall: 7573.56, 0.00393686/step, 0.662267 hours remaining, 114.421875 MB of memory in use. ENERGY: 1894400 655.9289 1823.8138 1966.7339 102.6892 3.2099 -1071.3251 0.0000 0.0000 2731.4591 6212.5097 301.6973 3481.0506 6245.4921 298.3790 PRESSURE: 1894600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1894600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1894600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1894600 0 0 0 0 0 0 0 0 0 TIMING: 1894600 CPU: 7574.35, 0.00393912/step Wall: 7574.35, 0.00393912/step, 0.662429 hours remaining, 114.421875 MB of memory in use. ENERGY: 1894600 659.0926 1857.6778 2000.0612 103.9682 1.7050 -1119.8359 0.0000 0.0000 2743.7925 6246.4614 303.0595 3502.6689 6279.7891 299.8483 PRESSURE: 1894800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1894800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1894800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1894800 0 0 0 0 0 0 0 0 0 TIMING: 1894800 CPU: 7575.13, 0.00394117/step Wall: 7575.13, 0.00394117/step, 0.662555 hours remaining, 114.421875 MB of memory in use. ENERGY: 1894800 655.8037 1872.0585 1978.2372 106.2061 2.7888 -1079.1573 0.0000 0.0000 2721.9150 6257.8520 300.6431 3535.9370 6292.1752 302.8012 PRESSURE: 1895000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1895000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1895000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1895000 0 0 0 0 0 0 0 0 0 TIMING: 1895000 CPU: 7575.92, 0.00394135/step Wall: 7575.92, 0.00394135/step, 0.662365 hours remaining, 114.421875 MB of memory in use. ENERGY: 1895000 644.1040 1875.8909 1962.9094 112.5166 1.5369 -1086.3636 0.0000 0.0000 2756.6867 6267.2808 304.4837 3510.5942 6303.2311 302.5885 PRESSURE: 1895200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1895200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1895200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1895200 0 0 0 0 0 0 0 0 0 TIMING: 1895200 CPU: 7576.71, 0.00394106/step Wall: 7576.71, 0.00394106/step, 0.662098 hours remaining, 114.421875 MB of memory in use. ENERGY: 1895200 663.7289 1823.1492 1996.5068 106.8296 2.5021 -1091.9107 0.0000 0.0000 2762.9218 6263.7277 305.1724 3500.8060 6296.5885 301.7407 PRESSURE: 1895400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1895400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1895400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1895400 0 0 0 0 0 0 0 0 0 TIMING: 1895400 CPU: 7577.5, 0.00393806/step Wall: 7577.5, 0.00393806/step, 0.661374 hours remaining, 114.421875 MB of memory in use. ENERGY: 1895400 667.6078 1857.8835 1965.5771 123.8458 0.0853 -1106.6898 0.0000 0.0000 2742.0845 6250.3942 302.8709 3508.3097 6285.3260 301.2594 PRESSURE: 1895600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1895600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1895600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1895600 0 0 0 0 0 0 0 0 0 TIMING: 1895600 CPU: 7578.29, 0.00393863/step Wall: 7578.29, 0.00393863/step, 0.661252 hours remaining, 114.421875 MB of memory in use. ENERGY: 1895600 640.9447 1897.8828 1983.9715 103.4267 0.6920 -1075.2409 0.0000 0.0000 2745.1932 6296.8699 303.2142 3551.6768 6330.0159 303.6582 PRESSURE: 1895800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1895800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1895800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1895800 0 0 0 0 0 0 0 0 0 TIMING: 1895800 CPU: 7579.08, 0.00395239/step Wall: 7579.08, 0.00395239/step, 0.663342 hours remaining, 114.421875 MB of memory in use. ENERGY: 1895800 664.8198 1890.3867 1970.1059 103.9483 2.3986 -1127.6110 0.0000 0.0000 2788.7598 6292.8082 308.0263 3504.0484 6326.7119 304.1869 PRESSURE: 1896000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1896000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1896000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1896000 0 0 0 0 0 0 0 0 0 TIMING: 1896000 CPU: 7579.86, 0.00394033/step Wall: 7579.86, 0.00394033/step, 0.6611 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1896000 658.7540 1831.2348 1963.0341 115.0192 1.6015 -1073.1913 0.0000 0.0000 2758.3145 6254.7668 304.6635 3496.4523 6289.6682 302.8814 PRESSURE: 1896200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1896200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1896200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1896200 0 0 0 0 0 0 0 0 0 TIMING: 1896200 CPU: 7580.65, 0.00393789/step Wall: 7580.65, 0.00393788/step, 0.66047 hours remaining, 114.421875 MB of memory in use. ENERGY: 1896200 649.4246 1912.3152 1966.0910 107.8435 1.9016 -1092.2276 0.0000 0.0000 2693.1923 6238.5406 297.4706 3545.3483 6272.2936 300.1995 LDB: ============= START OF LOAD BALANCING ============== 7583.61 LDB: ============== END OF LOAD BALANCING =============== 7583.61 LDB: =============== DONE WITH MIGRATION ================ 7583.61 LDB: ============= START OF LOAD BALANCING ============== 7584 LDB: ============== END OF LOAD BALANCING =============== 7584 LDB: =============== DONE WITH MIGRATION ================ 7584 PRESSURE: 1896400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1896400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1896400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1896400 0 0 0 0 0 0 0 0 0 TIMING: 1896400 CPU: 7581.44, 0.00394372/step Wall: 7581.44, 0.00394373/step, 0.661232 hours remaining, 114.421875 MB of memory in use. ENERGY: 1896400 657.7911 1886.4475 1989.8335 117.2983 1.1783 -1090.9776 0.0000 0.0000 2745.2547 6306.8258 303.2210 3561.5711 6338.5196 301.5201 PRESSURE: 1896600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1896600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1896600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1896600 0 0 0 0 0 0 0 0 0 TIMING: 1896600 CPU: 7582.23, 0.00393936/step Wall: 7582.23, 0.00393936/step, 0.66028 hours remaining, 114.421875 MB of memory in use. ENERGY: 1896600 650.6169 1880.9352 1983.4201 105.5400 1.3263 -1070.6092 0.0000 0.0000 2717.1440 6268.3733 300.1161 3551.2293 6301.5811 303.7651 PRESSURE: 1896800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1896800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1896800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1896800 0 0 0 0 0 0 0 0 0 TIMING: 1896800 CPU: 7583.02, 0.00393971/step Wall: 7583.02, 0.00393971/step, 0.66012 hours remaining, 114.421875 MB of memory in use. ENERGY: 1896800 657.6879 1860.2587 1979.6786 99.7874 1.2374 -1070.6126 0.0000 0.0000 2755.9433 6283.9806 304.4016 3528.0373 6314.9601 303.0765 PRESSURE: 1897000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1897000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1897000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1897000 0 0 0 0 0 0 0 0 0 TIMING: 1897000 CPU: 7583.8, 0.00393882/step Wall: 7583.8, 0.00393882/step, 0.659752 hours remaining, 114.421875 MB of memory in use. ENERGY: 1897000 675.9062 1867.6629 1957.3243 114.7194 1.4510 -1057.8821 0.0000 0.0000 2730.7643 6289.9459 301.6205 3559.1816 6321.2762 302.0991 PRESSURE: 1897200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1897200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1897200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1897200 0 0 0 0 0 0 0 0 0 TIMING: 1897200 CPU: 7584.59, 0.00393813/step Wall: 7584.59, 0.00393813/step, 0.659419 hours remaining, 114.421875 MB of memory in use. ENERGY: 1897200 662.6493 1848.7741 1969.3003 112.1057 2.7050 -1067.5261 0.0000 0.0000 2722.6586 6250.6669 300.7252 3528.0083 6283.6050 303.3208 PRESSURE: 1897400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1897400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1897400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1897400 0 0 0 0 0 0 0 0 0 TIMING: 1897400 CPU: 7585.38, 0.00394042/step Wall: 7585.38, 0.00394042/step, 0.659582 hours remaining, 114.421875 MB of memory in use. ENERGY: 1897400 660.4848 1820.0895 1970.2286 93.7634 1.9746 -1069.6983 0.0000 0.0000 2717.4620 6194.3046 300.1512 3476.8426 6230.6988 300.1177 PRESSURE: 1897600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1897600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1897600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1897600 0 0 0 0 0 0 0 0 0 TIMING: 1897600 CPU: 7586.17, 0.00394211/step Wall: 7586.17, 0.00394211/step, 0.659646 hours remaining, 114.421875 MB of memory in use. ENERGY: 1897600 640.5115 1819.1268 1970.9573 104.1522 1.6987 -1067.3765 0.0000 0.0000 2801.6908 6270.7607 309.4546 3469.0699 6305.6102 299.4113 PRESSURE: 1897800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1897800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1897800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1897800 0 0 0 0 0 0 0 0 0 TIMING: 1897800 CPU: 7586.96, 0.00393955/step Wall: 7586.96, 0.00393955/step, 0.659 hours remaining, 114.421875 MB of memory in use. ENERGY: 1897800 641.8460 1868.3825 1978.3024 113.8052 -0.0485 -1072.7581 0.0000 0.0000 2734.9973 6264.5269 302.0881 3529.5295 6299.2791 301.9077 PRESSURE: 1898000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1898000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1898000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1898000 0 0 0 0 0 0 0 0 0 TIMING: 1898000 CPU: 7587.74, 0.00394315/step Wall: 7587.74, 0.00394315/step, 0.659382 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1898000 662.9670 1902.6625 1986.4069 111.7892 1.5821 -1107.6125 0.0000 0.0000 2713.8237 6271.6189 299.7494 3557.7952 6301.9887 302.9630 PRESSURE: 1898200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1898200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1898200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1898200 0 0 0 0 0 0 0 0 0 TIMING: 1898200 CPU: 7588.53, 0.00393999/step Wall: 7588.53, 0.00393999/step, 0.658635 hours remaining, 114.421875 MB of memory in use. ENERGY: 1898200 639.7117 1875.6671 1963.8806 116.9047 1.0506 -1065.4582 0.0000 0.0000 2712.7226 6244.4791 299.6278 3531.7565 6277.7866 302.1492 PRESSURE: 1898400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1898400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1898400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1898400 0 0 0 0 0 0 0 0 0 TIMING: 1898400 CPU: 7589.32, 0.00394382/step Wall: 7589.32, 0.00394382/step, 0.659055 hours remaining, 114.421875 MB of memory in use. ENERGY: 1898400 602.7464 1862.6569 1944.8344 110.4509 2.5595 -1039.9207 0.0000 0.0000 2738.8157 6222.1431 302.5098 3483.3274 6256.1712 299.9838 PRESSURE: 1898600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1898600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1898600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1898600 0 0 0 0 0 0 0 0 0 TIMING: 1898600 CPU: 7590.11, 0.0039432/step Wall: 7590.11, 0.0039432/step, 0.658733 hours remaining, 114.421875 MB of memory in use. ENERGY: 1898600 649.0127 1873.3420 1952.8783 102.2486 0.0794 -1091.8133 0.0000 0.0000 2741.8388 6227.5863 302.8437 3485.7476 6264.1560 299.6180 PRESSURE: 1898800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1898800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1898800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1898800 0 0 0 0 0 0 0 0 0 TIMING: 1898800 CPU: 7590.9, 0.00394279/step Wall: 7590.9, 0.00394279/step, 0.658446 hours remaining, 114.421875 MB of memory in use. ENERGY: 1898800 691.2098 1880.2990 1949.0216 107.4783 3.5796 -1096.1507 0.0000 0.0000 2684.5941 6220.0317 296.5209 3535.4376 6252.5012 301.3963 PRESSURE: 1899000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1899000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1899000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1899000 0 0 0 0 0 0 0 0 0 TIMING: 1899000 CPU: 7591.69, 0.00393991/step Wall: 7591.69, 0.00393991/step, 0.657745 hours remaining, 114.421875 MB of memory in use. ENERGY: 1899000 647.3412 1862.0879 1954.2255 114.1598 1.8113 -1078.1308 0.0000 0.0000 2687.8576 6189.3525 296.8814 3501.4949 6219.5402 298.2261 PRESSURE: 1899200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1899200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1899200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1899200 0 0 0 0 0 0 0 0 0 TIMING: 1899200 CPU: 7592.48, 0.00394256/step Wall: 7592.48, 0.00394256/step, 0.657969 hours remaining, 114.421875 MB of memory in use. ENERGY: 1899200 651.4339 1894.8937 1954.3626 115.0721 1.9137 -1100.7659 0.0000 0.0000 2708.2516 6225.1618 299.1339 3516.9102 6260.9304 299.9384 PRESSURE: 1899400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1899400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1899400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1899400 0 0 0 0 0 0 0 0 0 TIMING: 1899400 CPU: 7593.26, 0.00394189/step Wall: 7593.26, 0.00394189/step, 0.657639 hours remaining, 114.421875 MB of memory in use. ENERGY: 1899400 649.7161 1902.6531 1946.3247 107.7885 2.5893 -1110.1357 0.0000 0.0000 2660.2747 6159.2106 293.8348 3498.9359 6191.2062 298.8671 PRESSURE: 1899600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1899600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1899600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1899600 0 0 0 0 0 0 0 0 0 TIMING: 1899600 CPU: 7594.05, 0.00394293/step Wall: 7594.05, 0.00394293/step, 0.657593 hours remaining, 114.421875 MB of memory in use. ENERGY: 1899600 623.5364 1871.1282 1940.7877 113.0379 1.9077 -1091.1885 0.0000 0.0000 2703.0141 6162.2235 298.5554 3459.2095 6195.2352 297.6477 PRESSURE: 1899800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1899800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1899800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1899800 0 0 0 0 0 0 0 0 0 TIMING: 1899800 CPU: 7594.84, 0.00394145/step Wall: 7594.84, 0.00394145/step, 0.657128 hours remaining, 114.421875 MB of memory in use. ENERGY: 1899800 638.9984 1801.6204 1970.1959 107.7524 2.7527 -1033.6668 0.0000 0.0000 2684.2250 6171.8779 296.4801 3487.6529 6202.3589 297.2807 PRESSURE: 1900000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1900000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1900000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1900000 0 0 0 0 0 0 0 0 0 TIMING: 1900000 CPU: 7595.63, 0.00393992/step Wall: 7595.63, 0.00393992/step, 0.656653 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1900000 637.7552 1839.3233 1941.3688 103.5149 1.8149 -1075.6347 0.0000 0.0000 2711.2219 6159.3643 299.4620 3448.1424 6194.4191 295.4388 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1900000 WRITING COORDINATES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1900200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1900200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1900200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1900200 0 0 0 0 0 0 0 0 0 TIMING: 1900200 CPU: 7598.04, 0.0120363/step Wall: 7598.04, 0.0120363/step, 2.00538 hours remaining, 114.421875 MB of memory in use. ENERGY: 1900200 682.4652 1820.9003 1955.4827 114.9846 2.1025 -1052.1032 0.0000 0.0000 2707.4518 6231.2841 299.0456 3523.8322 6263.8759 297.2436 LDB: ============= START OF LOAD BALANCING ============== 7601 LDB: ============== END OF LOAD BALANCING =============== 7601 LDB: =============== DONE WITH MIGRATION ================ 7601 LDB: ============= START OF LOAD BALANCING ============== 7601.4 LDB: ============== END OF LOAD BALANCING =============== 7601.4 LDB: =============== DONE WITH MIGRATION ================ 7601.4 PRESSURE: 1900400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1900400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1900400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1900400 0 0 0 0 0 0 0 0 0 TIMING: 1900400 CPU: 7598.83, 0.00397807/step Wall: 7598.83, 0.00397807/step, 0.662569 hours remaining, 114.421875 MB of memory in use. ENERGY: 1900400 656.9558 1844.4171 1956.9527 109.9723 2.2864 -1075.8391 0.0000 0.0000 2723.2012 6217.9463 300.7852 3494.7451 6250.1428 299.3990 PRESSURE: 1900600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1900600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1900600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1900600 0 0 0 0 0 0 0 0 0 TIMING: 1900600 CPU: 7599.62, 0.00393977/step Wall: 7599.62, 0.00393977/step, 0.655972 hours remaining, 114.421875 MB of memory in use. ENERGY: 1900600 627.1018 1897.0811 1984.5624 103.0457 1.0633 -1069.4972 0.0000 0.0000 2723.7239 6267.0810 300.8429 3543.3571 6301.3851 300.0231 PRESSURE: 1900800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1900800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1900800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1900800 0 0 0 0 0 0 0 0 0 TIMING: 1900800 CPU: 7600.41, 0.00394003/step Wall: 7600.41, 0.00394003/step, 0.655795 hours remaining, 114.421875 MB of memory in use. ENERGY: 1900800 653.3120 1834.5057 1977.1993 105.5964 -0.2443 -1069.9686 0.0000 0.0000 2761.3195 6261.7198 304.9954 3500.4004 6294.3965 302.4122 PRESSURE: 1901000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1901000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1901000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1901000 0 0 0 0 0 0 0 0 0 TIMING: 1901000 CPU: 7601.2, 0.00394077/step Wall: 7601.2, 0.00394077/step, 0.6557 hours remaining, 114.421875 MB of memory in use. ENERGY: 1901000 663.0178 1833.4653 1973.1269 110.0121 1.5602 -1122.5728 0.0000 0.0000 2710.7698 6169.3791 299.4121 3458.6093 6200.7085 301.5605 PRESSURE: 1901200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1901200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1901200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1901200 0 0 0 0 0 0 0 0 0 TIMING: 1901200 CPU: 7601.98, 0.00393841/step Wall: 7601.98, 0.00393841/step, 0.655089 hours remaining, 114.421875 MB of memory in use. ENERGY: 1901200 661.3341 1865.3232 1969.7608 92.4166 -0.0597 -1092.1821 0.0000 0.0000 2700.8271 6197.4201 298.3139 3496.5930 6230.8441 300.8005 PRESSURE: 1901400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1901400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1901400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1901400 0 0 0 0 0 0 0 0 0 TIMING: 1901400 CPU: 7602.77, 0.00393884/step Wall: 7602.77, 0.00393884/step, 0.654941 hours remaining, 114.421875 MB of memory in use. ENERGY: 1901400 632.4830 1843.5407 1970.4283 101.7729 2.0689 -1103.9548 0.0000 0.0000 2711.2789 6157.6178 299.4683 3446.3388 6191.3722 297.7154 PRESSURE: 1901600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1901600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1901600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1901600 0 0 0 0 0 0 0 0 0 TIMING: 1901600 CPU: 7603.56, 0.0039391/step Wall: 7603.56, 0.0039391/step, 0.654765 hours remaining, 114.421875 MB of memory in use. ENERGY: 1901600 643.4584 1772.8767 1950.2250 106.9941 0.6218 -1048.0972 0.0000 0.0000 2669.6324 6095.7111 294.8683 3426.0788 6129.0091 295.7794 PRESSURE: 1901800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1901800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1901800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1901800 0 0 0 0 0 0 0 0 0 TIMING: 1901800 CPU: 7604.35, 0.00393999/step Wall: 7604.35, 0.00393999/step, 0.654694 hours remaining, 114.421875 MB of memory in use. ENERGY: 1901800 662.9649 1868.8486 1957.4141 97.0447 0.9573 -1093.2254 0.0000 0.0000 2640.0155 6134.0197 291.5971 3494.0041 6163.8330 294.4384 PRESSURE: 1902000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1902000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1902000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1902000 0 0 0 0 0 0 0 0 0 TIMING: 1902000 CPU: 7605.14, 0.00394775/step Wall: 7605.14, 0.00394775/step, 0.655765 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1902000 679.9401 1831.8473 1979.0153 112.2519 1.6573 -1114.9069 0.0000 0.0000 2677.3816 6167.1867 295.7243 3489.8050 6199.9155 297.6139 PRESSURE: 1902200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1902200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1902200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1902200 0 0 0 0 0 0 0 0 0 TIMING: 1902200 CPU: 7605.93, 0.00394369/step Wall: 7605.93, 0.00394368/step, 0.654871 hours remaining, 114.421875 MB of memory in use. ENERGY: 1902200 660.6594 1840.9419 1962.0726 98.0294 0.7538 -1104.0572 0.0000 0.0000 2644.9450 6103.3448 292.1415 3458.3999 6136.6223 295.9352 PRESSURE: 1902400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1902400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1902400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1902400 0 0 0 0 0 0 0 0 0 TIMING: 1902400 CPU: 7606.71, 0.0039414/step Wall: 7606.71, 0.0039414/step, 0.654273 hours remaining, 114.421875 MB of memory in use. ENERGY: 1902400 642.5295 1829.5189 1950.1606 108.0170 1.2288 -1099.9030 0.0000 0.0000 2739.4308 6170.9825 302.5778 3431.5517 6205.7455 295.9425 PRESSURE: 1902600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1902600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1902600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1902600 0 0 0 0 0 0 0 0 0 TIMING: 1902600 CPU: 7607.5, 0.0039412/step Wall: 7607.5, 0.0039412/step, 0.65402 hours remaining, 114.421875 MB of memory in use. ENERGY: 1902600 656.2263 1835.2067 1984.5068 114.8298 2.2727 -1101.8534 0.0000 0.0000 2714.9451 6206.1341 299.8733 3491.1890 6240.0981 299.0643 PRESSURE: 1902800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1902800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1902800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1902800 0 0 0 0 0 0 0 0 0 TIMING: 1902800 CPU: 7608.29, 0.00394086/step Wall: 7608.29, 0.00394086/step, 0.653746 hours remaining, 114.421875 MB of memory in use. ENERGY: 1902800 660.7071 1864.6239 1999.0149 111.1062 0.8949 -1132.1614 0.0000 0.0000 2709.6946 6213.8802 299.2933 3504.1857 6245.4964 299.6522 PRESSURE: 1903000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1903000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1903000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1903000 0 0 0 0 0 0 0 0 0 TIMING: 1903000 CPU: 7609.08, 0.0039422/step Wall: 7609.08, 0.0039422/step, 0.653749 hours remaining, 114.421875 MB of memory in use. ENERGY: 1903000 686.1602 1876.4279 1987.6790 113.8070 0.2541 -1142.1137 0.0000 0.0000 2698.2174 6220.4319 298.0256 3522.2145 6252.9006 300.7798 PRESSURE: 1903200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1903200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1903200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1903200 0 0 0 0 0 0 0 0 0 TIMING: 1903200 CPU: 7609.87, 0.00394139/step Wall: 7609.87, 0.00394139/step, 0.653395 hours remaining, 114.421875 MB of memory in use. ENERGY: 1903200 651.4141 1801.2860 1972.9483 109.1920 0.3302 -1086.7987 0.0000 0.0000 2778.0894 6226.4612 306.8477 3448.3718 6260.9418 301.1686 PRESSURE: 1903400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1903400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1903400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1903400 0 0 0 0 0 0 0 0 0 TIMING: 1903400 CPU: 7610.65, 0.00393953/step Wall: 7610.65, 0.00393953/step, 0.652868 hours remaining, 114.421875 MB of memory in use. ENERGY: 1903400 652.2646 1793.6182 1978.6795 104.1121 -0.4437 -1087.9723 0.0000 0.0000 2736.9959 6177.2543 302.3088 3440.2584 6214.1043 299.5086 PRESSURE: 1903600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1903600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1903600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1903600 0 0 0 0 0 0 0 0 0 TIMING: 1903600 CPU: 7611.44, 0.00394083/step Wall: 7611.44, 0.00394083/step, 0.652864 hours remaining, 114.421875 MB of memory in use. ENERGY: 1903600 667.0721 1885.1836 1966.9091 102.4828 0.6098 -1116.5379 0.0000 0.0000 2666.2267 6171.9462 294.4922 3505.7195 6204.6219 298.4796 PRESSURE: 1903800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1903800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1903800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1903800 0 0 0 0 0 0 0 0 0 TIMING: 1903800 CPU: 7612.23, 0.00393895/step Wall: 7612.23, 0.00393895/step, 0.652334 hours remaining, 114.421875 MB of memory in use. ENERGY: 1903800 620.2356 1874.3558 1978.8796 114.6344 1.0996 -1084.9499 0.0000 0.0000 2666.6535 6170.9086 294.5393 3504.2551 6206.0217 297.5196 PRESSURE: 1904000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1904000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1904000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1904000 0 0 0 0 0 0 0 0 0 TIMING: 1904000 CPU: 7613.02, 0.00394076/step Wall: 7613.02, 0.00394076/step, 0.652415 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1904000 672.3377 1833.5411 1982.2587 109.3314 2.0307 -1081.7975 0.0000 0.0000 2682.2360 6199.9381 296.2604 3517.7021 6228.3381 299.9240 PRESSURE: 1904200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1904200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1904200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1904200 0 0 0 0 0 0 0 0 0 TIMING: 1904200 CPU: 7613.81, 0.00393978/step Wall: 7613.81, 0.00393978/step, 0.652034 hours remaining, 114.421875 MB of memory in use. ENERGY: 1904200 652.0927 1783.1341 1949.7279 101.1290 1.2166 -1043.7780 0.0000 0.0000 2675.1688 6118.6911 295.4798 3443.5223 6147.3730 296.9041 LDB: ============= START OF LOAD BALANCING ============== 7616.76 LDB: ============== END OF LOAD BALANCING =============== 7616.76 LDB: =============== DONE WITH MIGRATION ================ 7616.76 LDB: ============= START OF LOAD BALANCING ============== 7617.16 LDB: ============== END OF LOAD BALANCING =============== 7617.16 LDB: =============== DONE WITH MIGRATION ================ 7617.16 PRESSURE: 1904400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1904400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1904400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1904400 0 0 0 0 0 0 0 0 0 TIMING: 1904400 CPU: 7614.59, 0.00394217/step Wall: 7614.59, 0.00394217/step, 0.65221 hours remaining, 114.421875 MB of memory in use. ENERGY: 1904400 625.5161 1826.8192 1964.1407 100.3295 1.7323 -1073.6837 0.0000 0.0000 2675.4008 6120.2550 295.5055 3444.8542 6153.8402 295.1805 PRESSURE: 1904600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1904600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1904600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1904600 0 0 0 0 0 0 0 0 0 TIMING: 1904600 CPU: 7615.38, 0.00394115/step Wall: 7615.38, 0.00394115/step, 0.651822 hours remaining, 114.421875 MB of memory in use. ENERGY: 1904600 624.3224 1843.4899 1976.0739 101.3828 1.8517 -1087.5805 0.0000 0.0000 2662.6310 6122.1711 294.0950 3459.5402 6154.8897 294.7658 PRESSURE: 1904800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1904800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1904800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1904800 0 0 0 0 0 0 0 0 0 TIMING: 1904800 CPU: 7616.17, 0.00393972/step Wall: 7616.17, 0.00393972/step, 0.651367 hours remaining, 114.421875 MB of memory in use. ENERGY: 1904800 627.8868 1799.5043 1969.4365 122.5731 1.3072 -1039.2836 0.0000 0.0000 2677.9891 6159.4134 295.7914 3481.4243 6191.1060 296.6427 PRESSURE: 1905000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1905000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1905000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1905000 0 0 0 0 0 0 0 0 0 TIMING: 1905000 CPU: 7616.96, 0.00393943/step Wall: 7616.96, 0.00393943/step, 0.651101 hours remaining, 114.421875 MB of memory in use. ENERGY: 1905000 658.1431 1811.2596 1967.7859 107.6432 0.4578 -1084.5910 0.0000 0.0000 2680.3717 6141.0701 296.0545 3460.6985 6173.4408 297.5723 PRESSURE: 1905200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1905200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1905200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1905200 0 0 0 0 0 0 0 0 0 TIMING: 1905200 CPU: 7617.75, 0.00393838/step Wall: 7617.75, 0.00393838/step, 0.650708 hours remaining, 114.421875 MB of memory in use. ENERGY: 1905200 665.9421 1823.3857 1929.9751 93.9801 0.2613 -1092.8287 0.0000 0.0000 2680.5371 6101.2528 296.0728 3420.7157 6133.3550 294.3918 PRESSURE: 1905400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1905400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1905400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1905400 0 0 0 0 0 0 0 0 0 TIMING: 1905400 CPU: 7618.53, 0.00394007/step Wall: 7618.53, 0.00394007/step, 0.650768 hours remaining, 114.421875 MB of memory in use. ENERGY: 1905400 654.4722 1752.5730 1957.2446 112.3584 0.0163 -1067.9380 0.0000 0.0000 2673.8145 6082.5409 295.3303 3408.7264 6114.3787 294.2382 PRESSURE: 1905600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1905600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1905600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1905600 0 0 0 0 0 0 0 0 0 TIMING: 1905600 CPU: 7619.32, 0.00394506/step Wall: 7619.32, 0.00394506/step, 0.651372 hours remaining, 114.421875 MB of memory in use. ENERGY: 1905600 633.1978 1862.7559 1961.0712 99.7485 -0.5429 -1095.4327 0.0000 0.0000 2595.1368 6055.9347 286.6401 3460.7978 6084.5699 290.7707 PRESSURE: 1905800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1905800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1905800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1905800 0 0 0 0 0 0 0 0 0 TIMING: 1905800 CPU: 7620.11, 0.00393668/step Wall: 7620.11, 0.00393668/step, 0.649771 hours remaining, 114.421875 MB of memory in use. ENERGY: 1905800 635.5092 1848.5464 1971.7345 105.2318 -0.0039 -1122.4746 0.0000 0.0000 2596.9334 6035.4767 286.8385 3438.5434 6064.6130 291.4197 PRESSURE: 1906000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1906000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1906000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1906000 0 0 0 0 0 0 0 0 0 TIMING: 1906000 CPU: 7620.9, 0.00393717/step Wall: 7620.9, 0.00393717/step, 0.649633 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1906000 661.3727 1831.6568 1962.1563 109.2270 1.5500 -1132.1662 0.0000 0.0000 2641.1236 6074.9201 291.7195 3433.7966 6107.8166 292.7639 PRESSURE: 1906200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1906200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1906200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1906200 0 0 0 0 0 0 0 0 0 TIMING: 1906200 CPU: 7621.69, 0.00393836/step Wall: 7621.69, 0.00393836/step, 0.649611 hours remaining, 114.421875 MB of memory in use. ENERGY: 1906200 656.1352 1805.4728 1937.5627 95.7992 1.2306 -1095.6261 0.0000 0.0000 2663.9560 6064.5304 294.2414 3400.5744 6094.8755 292.8622 PRESSURE: 1906400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1906400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1906400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1906400 0 0 0 0 0 0 0 0 0 TIMING: 1906400 CPU: 7622.47, 0.0039392/step Wall: 7622.47, 0.0039392/step, 0.64953 hours remaining, 114.421875 MB of memory in use. ENERGY: 1906400 650.5165 1813.6708 1940.4208 114.3957 0.3159 -1095.8684 0.0000 0.0000 2697.3952 6120.8466 297.9348 3423.4514 6152.9811 294.6459 PRESSURE: 1906600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1906600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1906600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1906600 0 0 0 0 0 0 0 0 0 TIMING: 1906600 CPU: 7623.26, 0.00394083/step Wall: 7623.26, 0.00394083/step, 0.649581 hours remaining, 114.421875 MB of memory in use. ENERGY: 1906600 619.1381 1848.7267 1964.2093 110.3734 1.0650 -1076.7230 0.0000 0.0000 2625.2662 6092.0557 289.9680 3466.7895 6122.6747 295.0011 PRESSURE: 1906800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1906800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1906800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1906800 0 0 0 0 0 0 0 0 0 TIMING: 1906800 CPU: 7624.05, 0.00393922/step Wall: 7624.05, 0.00393921/step, 0.649095 hours remaining, 114.421875 MB of memory in use. ENERGY: 1906800 632.4099 1866.5744 1941.2176 106.3816 1.9143 -1069.0978 0.0000 0.0000 2617.1720 6096.5720 289.0739 3479.4000 6129.5733 293.3648 PRESSURE: 1907000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1907000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1907000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1907000 0 0 0 0 0 0 0 0 0 TIMING: 1907000 CPU: 7624.84, 0.00393865/step Wall: 7624.84, 0.00393866/step, 0.648785 hours remaining, 114.421875 MB of memory in use. ENERGY: 1907000 666.1318 1830.7349 1934.5398 116.1823 0.8671 -1059.7760 0.0000 0.0000 2612.7266 6101.4065 288.5829 3488.6800 6131.4280 293.3376 PRESSURE: 1907200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1907200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1907200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1907200 0 0 0 0 0 0 0 0 0 TIMING: 1907200 CPU: 7625.63, 0.00393836/step Wall: 7625.63, 0.00393836/step, 0.648516 hours remaining, 114.421875 MB of memory in use. ENERGY: 1907200 644.2364 1831.5049 1946.2268 101.2450 1.4570 -1058.8565 0.0000 0.0000 2706.1554 6171.9691 298.9024 3465.8136 6202.2779 295.5376 PRESSURE: 1907400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1907400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1907400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1907400 0 0 0 0 0 0 0 0 0 TIMING: 1907400 CPU: 7626.41, 0.00394029/step Wall: 7626.41, 0.00394029/step, 0.648616 hours remaining, 114.421875 MB of memory in use. ENERGY: 1907400 644.1769 1802.8964 1968.7166 114.5152 0.7313 -1076.9462 0.0000 0.0000 2679.7662 6133.8562 295.9876 3454.0901 6166.2226 296.2890 PRESSURE: 1907600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1907600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1907600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1907600 0 0 0 0 0 0 0 0 0 TIMING: 1907600 CPU: 7627.2, 0.00393958/step Wall: 7627.2, 0.00393957/step, 0.648279 hours remaining, 114.421875 MB of memory in use. ENERGY: 1907600 637.0031 1839.3848 1949.4898 113.5174 1.3294 -1081.7356 0.0000 0.0000 2648.0871 6107.0761 292.4886 3458.9890 6140.4300 295.7348 PRESSURE: 1907800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1907800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1907800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1907800 0 0 0 0 0 0 0 0 0 TIMING: 1907800 CPU: 7627.99, 0.00393827/step Wall: 7627.99, 0.00393827/step, 0.647846 hours remaining, 114.421875 MB of memory in use. ENERGY: 1907800 621.8083 1836.4786 1991.4511 108.8733 0.6383 -1094.4196 0.0000 0.0000 2646.9474 6111.7774 292.3627 3464.8300 6144.3138 295.4162 PRESSURE: 1908000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1908000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1908000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1908000 0 0 0 0 0 0 0 0 0 TIMING: 1908000 CPU: 7628.78, 0.00393589/step Wall: 7628.78, 0.00393589/step, 0.647234 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1908000 643.3295 1846.5076 1975.7164 115.4483 0.4065 -1095.1802 0.0000 0.0000 2720.7183 6206.9465 300.5109 3486.2281 6237.7693 298.2512 PRESSURE: 1908200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1908200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1908200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1908200 0 0 0 0 0 0 0 0 0 TIMING: 1908200 CPU: 7629.56, 0.00393778/step Wall: 7629.56, 0.00393778/step, 0.647328 hours remaining, 114.421875 MB of memory in use. ENERGY: 1908200 651.9220 1866.0769 1940.7168 116.3756 0.9607 -1062.8074 0.0000 0.0000 2680.1161 6193.3608 296.0263 3513.2447 6225.5095 301.0429 LDB: ============= START OF LOAD BALANCING ============== 7632.52 LDB: ============== END OF LOAD BALANCING =============== 7632.52 LDB: =============== DONE WITH MIGRATION ================ 7632.52 LDB: ============= START OF LOAD BALANCING ============== 7632.92 LDB: ============== END OF LOAD BALANCING =============== 7632.92 LDB: =============== DONE WITH MIGRATION ================ 7632.92 PRESSURE: 1908400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1908400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1908400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1908400 0 0 0 0 0 0 0 0 0 TIMING: 1908400 CPU: 7630.35, 0.00394286/step Wall: 7630.35, 0.00394286/step, 0.647943 hours remaining, 114.421875 MB of memory in use. ENERGY: 1908400 676.4469 1855.5544 1955.4634 95.0459 1.8660 -1127.8243 0.0000 0.0000 2694.5606 6151.1130 297.6217 3456.5523 6183.9888 299.8665 PRESSURE: 1908600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1908600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1908600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1908600 0 0 0 0 0 0 0 0 0 TIMING: 1908600 CPU: 7635.74, 0.0269304/step Wall: 7635.74, 0.0269304/step, 4.42406 hours remaining, 114.421875 MB of memory in use. ENERGY: 1908600 614.5869 1808.8345 1963.5945 111.5552 2.8037 -1074.3547 0.0000 0.0000 2672.2903 6099.3104 295.1619 3427.0201 6132.1320 297.1311 PRESSURE: 1908800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1908800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1908800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1908800 0 0 0 0 0 0 0 0 0 TIMING: 1908800 CPU: 7636.55, 0.00404387/step Wall: 7636.55, 0.00404387/step, 0.664093 hours remaining, 114.421875 MB of memory in use. ENERGY: 1908800 649.4259 1834.7937 1954.0055 106.1415 1.1755 -1096.0880 0.0000 0.0000 2643.3633 6092.8173 291.9668 3449.4540 6126.5835 293.7745 PRESSURE: 1909000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1909000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1909000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1909000 0 0 0 0 0 0 0 0 0 TIMING: 1909000 CPU: 7637.33, 0.0039382/step Wall: 7637.33, 0.0039382/step, 0.646521 hours remaining, 114.421875 MB of memory in use. ENERGY: 1909000 631.7079 1836.0599 1913.6117 110.3911 2.0344 -1085.2872 0.0000 0.0000 2686.3685 6094.8863 296.7169 3408.5178 6127.5041 294.7321 PRESSURE: 1909200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1909200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1909200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1909200 0 0 0 0 0 0 0 0 0 TIMING: 1909200 CPU: 7638.12, 0.00393883/step Wall: 7638.12, 0.00393883/step, 0.646405 hours remaining, 114.421875 MB of memory in use. ENERGY: 1909200 648.1088 1872.8236 1959.3801 103.9618 1.8857 -1098.1559 0.0000 0.0000 2690.0038 6178.0080 297.1184 3488.0041 6210.4035 295.2119 PRESSURE: 1909400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1909400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1909400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1909400 0 0 0 0 0 0 0 0 0 TIMING: 1909400 CPU: 7638.91, 0.00393736/step Wall: 7638.91, 0.00393736/step, 0.645947 hours remaining, 114.421875 MB of memory in use. ENERGY: 1909400 655.9844 1924.5165 1943.1126 107.2700 2.0581 -1130.9765 0.0000 0.0000 2673.0740 6175.0391 295.2485 3501.9651 6206.2496 297.7879 PRESSURE: 1909600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1909600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1909600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1909600 0 0 0 0 0 0 0 0 0 TIMING: 1909600 CPU: 7639.7, 0.00393638/step Wall: 7639.7, 0.00393638/step, 0.645567 hours remaining, 114.421875 MB of memory in use. ENERGY: 1909600 624.7231 1802.9447 1931.1600 109.3441 1.4526 -1047.6441 0.0000 0.0000 2740.1049 6162.0853 302.6522 3421.9804 6198.5924 296.6389 PRESSURE: 1909800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1909800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1909800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1909800 0 0 0 0 0 0 0 0 0 TIMING: 1909800 CPU: 7640.48, 0.00393848/step Wall: 7640.48, 0.00393848/step, 0.645692 hours remaining, 114.421875 MB of memory in use. ENERGY: 1909800 687.5106 1856.0810 2000.8485 115.3857 0.5537 -1123.8719 0.0000 0.0000 2693.4015 6229.9091 297.4937 3536.5076 6258.5000 297.8388 PRESSURE: 1910000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1910000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1910000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1910000 0 0 0 0 0 0 0 0 0 TIMING: 1910000 CPU: 7641.27, 0.00393925/step Wall: 7641.27, 0.00393925/step, 0.645599 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1910000 656.0945 1848.2619 2017.6836 104.2347 1.7965 -1083.3723 0.0000 0.0000 2708.9464 6253.6454 299.2107 3544.6990 6287.2063 300.9017 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1910000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1910000 WRITING COORDINATES TO RESTART FILE AT STEP 1910000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1910000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1910200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1910200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1910200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1910200 0 0 0 0 0 0 0 0 0 TIMING: 1910200 CPU: 7656.43, 0.0758039/step Wall: 7656.43, 0.0758039/step, 12.4192 hours remaining, 114.421875 MB of memory in use. ENERGY: 1910200 697.5125 1870.0318 1959.0717 112.6682 1.3781 -1075.7552 0.0000 0.0000 2709.8461 6274.7533 299.3101 3564.9071 6304.9056 303.0638 PRESSURE: 1910400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1910400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1910400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1910400 0 0 0 0 0 0 0 0 0 TIMING: 1910400 CPU: 7657.22, 0.00394078/step Wall: 7657.22, 0.00394078/step, 0.645412 hours remaining, 114.421875 MB of memory in use. ENERGY: 1910400 661.9590 1816.3642 1976.5404 111.1764 0.8458 -1084.1499 0.0000 0.0000 2719.3064 6202.0423 300.3550 3482.7360 6237.3748 302.7456 PRESSURE: 1910600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1910600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1910600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1910600 0 0 0 0 0 0 0 0 0 TIMING: 1910600 CPU: 7658.01, 0.00393958/step Wall: 7658.01, 0.00393958/step, 0.644997 hours remaining, 114.421875 MB of memory in use. ENERGY: 1910600 656.5566 1823.5895 1955.0946 102.0084 1.5819 -1070.4411 0.0000 0.0000 2765.5902 6233.9801 305.4671 3468.3899 6266.7798 300.9589 PRESSURE: 1910800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1910800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1910800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1910800 0 0 0 0 0 0 0 0 0 TIMING: 1910800 CPU: 7658.8, 0.00393526/step Wall: 7658.8, 0.00393526/step, 0.644071 hours remaining, 114.421875 MB of memory in use. ENERGY: 1910800 626.1878 1880.4951 1966.9402 107.1216 2.5169 -1094.0555 0.0000 0.0000 2714.2065 6203.4125 299.7917 3489.2061 6237.0997 300.7715 PRESSURE: 1911000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1911000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1911000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1911000 0 0 0 0 0 0 0 0 0 TIMING: 1911000 CPU: 7659.59, 0.00396251/step Wall: 7659.59, 0.00396251/step, 0.648311 hours remaining, 114.421875 MB of memory in use. ENERGY: 1911000 625.9463 1856.7262 1948.1158 114.3532 1.4202 -1090.4879 0.0000 0.0000 2720.1121 6176.1858 300.4440 3456.0737 6211.4001 299.9056 PRESSURE: 1911200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1911200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1911200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1911200 0 0 0 0 0 0 0 0 0 TIMING: 1911200 CPU: 7660.38, 0.00394008/step Wall: 7660.38, 0.00394008/step, 0.644421 hours remaining, 114.421875 MB of memory in use. ENERGY: 1911200 645.2453 1821.2294 1948.7010 120.2637 0.9997 -1091.5015 0.0000 0.0000 2720.3795 6165.3171 300.4735 3444.9376 6202.6768 298.6862 PRESSURE: 1911400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1911400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1911400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1911400 0 0 0 0 0 0 0 0 0 TIMING: 1911400 CPU: 7661.17, 0.00394113/step Wall: 7661.17, 0.00394113/step, 0.644375 hours remaining, 114.421875 MB of memory in use. ENERGY: 1911400 649.0858 1849.0148 1952.3304 123.6427 1.0768 -1088.0960 0.0000 0.0000 2687.3995 6174.4540 296.8308 3487.0545 6207.2060 298.0975 PRESSURE: 1911600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1911600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1911600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1911600 0 0 0 0 0 0 0 0 0 TIMING: 1911600 CPU: 7661.95, 0.00393584/step Wall: 7661.95, 0.00393584/step, 0.64329 hours remaining, 114.421875 MB of memory in use. ENERGY: 1911600 634.8481 1845.2062 1988.1192 116.2703 1.0823 -1100.7227 0.0000 0.0000 2729.1892 6213.9926 301.4466 3484.8034 6246.5730 300.3957 PRESSURE: 1911800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1911800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1911800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1911800 0 0 0 0 0 0 0 0 0 TIMING: 1911800 CPU: 7662.74, 0.00393929/step Wall: 7662.74, 0.00393929/step, 0.643637 hours remaining, 114.421875 MB of memory in use. ENERGY: 1911800 662.0755 1836.6437 1949.0140 123.7453 1.1047 -1092.3843 0.0000 0.0000 2721.4467 6201.6455 300.5914 3480.1988 6234.2793 300.7559 PRESSURE: 1912000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1912000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1912000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1912000 0 0 0 0 0 0 0 0 0 TIMING: 1912000 CPU: 7663.53, 0.00394061/step Wall: 7663.53, 0.00394061/step, 0.643634 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1912000 658.2810 1845.2405 1946.5928 120.0825 1.5801 -1070.9063 0.0000 0.0000 2706.2292 6207.0998 298.9106 3500.8706 6240.1482 299.7209 PRESSURE: 1912200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1912200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1912200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1912200 0 0 0 0 0 0 0 0 0 TIMING: 1912200 CPU: 7664.32, 0.00395027/step Wall: 7664.32, 0.00395027/step, 0.644991 hours remaining, 114.421875 MB of memory in use. ENERGY: 1912200 663.8661 1877.8943 1950.9303 117.0721 2.3113 -1111.7427 0.0000 0.0000 2713.1395 6213.4709 299.6738 3500.3314 6244.6151 300.3945 LDB: ============= START OF LOAD BALANCING ============== 7667.28 LDB: ============== END OF LOAD BALANCING =============== 7667.28 LDB: =============== DONE WITH MIGRATION ================ 7667.28 LDB: ============= START OF LOAD BALANCING ============== 7667.68 LDB: ============== END OF LOAD BALANCING =============== 7667.68 LDB: =============== DONE WITH MIGRATION ================ 7667.68 PRESSURE: 1912400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1912400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1912400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1912400 0 0 0 0 0 0 0 0 0 TIMING: 1912400 CPU: 7665.11, 0.0039651/step Wall: 7665.11, 0.0039651/step, 0.647192 hours remaining, 114.421875 MB of memory in use. ENERGY: 1912400 646.2562 1893.8627 1979.4958 124.4335 0.9144 -1121.0913 0.0000 0.0000 2691.3028 6215.1742 297.2619 3523.8714 6249.0756 301.1709 PRESSURE: 1912600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1912600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1912600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1912600 0 0 0 0 0 0 0 0 0 TIMING: 1912600 CPU: 7666.38, 0.00636384/step Wall: 7666.38, 0.00636384/step, 1.03837 hours remaining, 114.421875 MB of memory in use. ENERGY: 1912600 684.0044 1837.3323 1953.7710 97.6577 1.6787 -1080.5192 0.0000 0.0000 2721.5269 6215.4519 300.6002 3493.9250 6249.9674 300.4770 PRESSURE: 1912800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1912800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1912800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1912800 0 0 0 0 0 0 0 0 0 TIMING: 1912800 CPU: 7667.18, 0.00397005/step Wall: 7667.18, 0.00397005/step, 0.647559 hours remaining, 114.421875 MB of memory in use. ENERGY: 1912800 671.8483 1875.2290 1977.0023 114.8460 1.3660 -1076.5081 0.0000 0.0000 2627.5750 6191.3584 290.2230 3563.7834 6220.4135 297.9930 PRESSURE: 1913000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1913000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1913000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1913000 0 0 0 0 0 0 0 0 0 TIMING: 1913000 CPU: 7667.97, 0.00393699/step Wall: 7667.97, 0.00393699/step, 0.641948 hours remaining, 114.421875 MB of memory in use. ENERGY: 1913000 637.7546 1806.6587 1981.8210 105.1889 0.8310 -1080.8527 0.0000 0.0000 2724.8018 6176.2033 300.9619 3451.4015 6212.0690 297.5657 PRESSURE: 1913200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1913200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1913200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1913200 0 0 0 0 0 0 0 0 0 TIMING: 1913200 CPU: 7668.75, 0.00393801/step Wall: 7668.75, 0.00393801/step, 0.641896 hours remaining, 114.421875 MB of memory in use. ENERGY: 1913200 674.3594 1867.7214 1939.1677 104.1168 0.9991 -1077.9873 0.0000 0.0000 2642.3529 6150.7301 291.8552 3508.3772 6182.2975 296.3246 PRESSURE: 1913400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1913400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1913400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1913400 0 0 0 0 0 0 0 0 0 TIMING: 1913400 CPU: 7669.54, 0.00394034/step Wall: 7669.54, 0.00394034/step, 0.642057 hours remaining, 114.421875 MB of memory in use. ENERGY: 1913400 639.2260 1851.4412 1971.0321 105.9094 0.9670 -1083.3111 0.0000 0.0000 2701.6785 6186.9431 298.4079 3485.2646 6221.6723 297.0316 PRESSURE: 1913600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1913600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1913600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1913600 0 0 0 0 0 0 0 0 0 TIMING: 1913600 CPU: 7670.33, 0.00393929/step Wall: 7670.33, 0.00393929/step, 0.641666 hours remaining, 114.421875 MB of memory in use. ENERGY: 1913600 630.9281 1796.7368 1943.1093 100.2609 0.8612 -1043.3127 0.0000 0.0000 2752.9442 6181.5278 304.0703 3428.5836 6216.1174 297.7856 PRESSURE: 1913800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1913800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1913800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1913800 0 0 0 0 0 0 0 0 0 TIMING: 1913800 CPU: 7671.12, 0.00394186/step Wall: 7671.12, 0.00394186/step, 0.641866 hours remaining, 114.421875 MB of memory in use. ENERGY: 1913800 658.4323 1827.3974 1948.6483 109.0122 1.0368 -1105.8755 0.0000 0.0000 2674.1773 6112.8289 295.3703 3438.6516 6147.8851 296.8660 PRESSURE: 1914000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1914000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1914000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1914000 0 0 0 0 0 0 0 0 0 TIMING: 1914000 CPU: 7671.9, 0.0039349/step Wall: 7671.9, 0.0039349/step, 0.640514 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1914000 635.9112 1831.0845 1906.5129 112.1113 1.7634 -1055.3675 0.0000 0.0000 2655.7513 6087.7671 293.3351 3432.0158 6117.6297 295.2445 PRESSURE: 1914200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1914200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1914200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1914200 0 0 0 0 0 0 0 0 0 TIMING: 1914200 CPU: 7672.69, 0.00394132/step Wall: 7672.69, 0.00394132/step, 0.64134 hours remaining, 114.421875 MB of memory in use. ENERGY: 1914200 634.8504 1832.9065 1952.3982 109.9875 0.9990 -1075.2040 0.0000 0.0000 2612.5462 6068.4839 288.5630 3455.9377 6099.1316 292.9567 PRESSURE: 1914400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1914400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1914400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1914400 0 0 0 0 0 0 0 0 0 TIMING: 1914400 CPU: 7673.48, 0.00393949/step Wall: 7673.48, 0.0039395/step, 0.640825 hours remaining, 114.421875 MB of memory in use. ENERGY: 1914400 669.6288 1842.5716 1960.5561 118.9592 1.5832 -1073.0485 0.0000 0.0000 2613.1650 6133.4154 288.6314 3520.2504 6161.7295 293.6449 PRESSURE: 1914600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1914600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1914600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1914600 0 0 0 0 0 0 0 0 0 TIMING: 1914600 CPU: 7674.27, 0.00393983/step Wall: 7674.27, 0.00393983/step, 0.640661 hours remaining, 114.421875 MB of memory in use. ENERGY: 1914600 627.1747 1782.1712 1969.3399 115.1107 1.6077 -1105.8335 0.0000 0.0000 2746.9406 6136.5113 303.4072 3389.5707 6173.6617 295.4219 PRESSURE: 1914800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1914800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1914800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1914800 0 0 0 0 0 0 0 0 0 TIMING: 1914800 CPU: 7675.06, 0.00394492/step Wall: 7675.06, 0.00394492/step, 0.641269 hours remaining, 114.421875 MB of memory in use. ENERGY: 1914800 662.7456 1835.1140 1973.0864 94.0981 2.0287 -1084.3987 0.0000 0.0000 2700.9530 6183.6271 298.3278 3482.6741 6215.2672 296.9009 PRESSURE: 1915000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1915000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1915000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1915000 0 0 0 0 0 0 0 0 0 TIMING: 1915000 CPU: 7675.85, 0.00393808/step Wall: 7675.85, 0.00393808/step, 0.639937 hours remaining, 114.421875 MB of memory in use. ENERGY: 1915000 690.3260 1826.4070 1941.7169 105.0288 1.1787 -1055.2018 0.0000 0.0000 2695.1794 6204.6351 297.6901 3509.4557 6238.5050 298.6580 PRESSURE: 1915200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1915200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1915200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1915200 0 0 0 0 0 0 0 0 0 TIMING: 1915200 CPU: 7676.63, 0.00394334/step Wall: 7676.63, 0.00394334/step, 0.640574 hours remaining, 114.421875 MB of memory in use. ENERGY: 1915200 651.8073 1834.8987 1982.2523 102.5457 1.2910 -1031.6535 0.0000 0.0000 2692.3873 6233.5287 297.3817 3541.1414 6267.8826 300.3063 PRESSURE: 1915400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1915400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1915400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1915400 0 0 0 0 0 0 0 0 0 TIMING: 1915400 CPU: 7677.42, 0.0039412/step Wall: 7677.42, 0.0039412/step, 0.640007 hours remaining, 114.421875 MB of memory in use. ENERGY: 1915400 656.4028 1818.2894 1942.2006 106.0416 0.3386 -1071.6280 0.0000 0.0000 2750.7685 6202.4135 303.8300 3451.6450 6237.0104 300.6762 PRESSURE: 1915600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1915600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1915600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1915600 0 0 0 0 0 0 0 0 0 TIMING: 1915600 CPU: 7678.21, 0.0039407/step Wall: 7678.21, 0.0039407/step, 0.639707 hours remaining, 114.421875 MB of memory in use. ENERGY: 1915600 615.7654 1813.6445 1961.1257 119.2964 0.6708 -1067.8231 0.0000 0.0000 2725.5609 6168.2406 301.0458 3442.6797 6203.0614 297.8863 PRESSURE: 1915800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1915800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1915800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1915800 0 0 0 0 0 0 0 0 0 TIMING: 1915800 CPU: 7679, 0.00394078/step Wall: 7679, 0.00394078/step, 0.639501 hours remaining, 114.421875 MB of memory in use. ENERGY: 1915800 662.2761 1872.1045 1951.4124 105.4569 0.7381 -1102.4319 0.0000 0.0000 2722.8377 6212.3938 300.7450 3489.5561 6245.6637 299.0114 PRESSURE: 1916000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1916000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1916000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1916000 0 0 0 0 0 0 0 0 0 TIMING: 1916000 CPU: 7679.79, 0.00393706/step Wall: 7679.79, 0.00393706/step, 0.638679 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1916000 636.4545 1874.2585 1916.6988 101.6752 1.0590 -1070.5442 0.0000 0.0000 2748.0063 6207.6080 303.5250 3459.6017 6239.6444 300.6730 PRESSURE: 1916200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1916200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1916200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1916200 0 0 0 0 0 0 0 0 0 TIMING: 1916200 CPU: 7680.57, 0.00394228/step Wall: 7680.57, 0.00394228/step, 0.639306 hours remaining, 114.421875 MB of memory in use. ENERGY: 1916200 589.3963 1811.8225 1959.9998 114.3644 1.6721 -1090.7220 0.0000 0.0000 2741.1762 6127.7094 302.7706 3386.5332 6163.9450 299.0884 LDB: ============= START OF LOAD BALANCING ============== 7683.53 LDB: ============== END OF LOAD BALANCING =============== 7683.53 LDB: =============== DONE WITH MIGRATION ================ 7683.53 LDB: ============= START OF LOAD BALANCING ============== 7683.93 LDB: ============== END OF LOAD BALANCING =============== 7683.93 LDB: =============== DONE WITH MIGRATION ================ 7683.93 PRESSURE: 1916400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1916400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1916400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1916400 0 0 0 0 0 0 0 0 0 TIMING: 1916400 CPU: 7681.36, 0.00394796/step Wall: 7681.36, 0.00394796/step, 0.640007 hours remaining, 114.421875 MB of memory in use. ENERGY: 1916400 629.9354 1789.3532 1925.3877 108.7127 1.9102 -1056.2341 0.0000 0.0000 2711.2784 6110.3436 299.4683 3399.0652 6145.8665 296.6404 PRESSURE: 1916600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1916600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1916600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1916600 0 0 0 0 0 0 0 0 0 TIMING: 1916600 CPU: 7682.15, 0.00394179/step Wall: 7682.15, 0.00394179/step, 0.638788 hours remaining, 114.421875 MB of memory in use. ENERGY: 1916600 652.5873 1791.2054 1932.6629 98.8349 0.7470 -1081.6539 0.0000 0.0000 2717.4504 6111.8340 300.1500 3394.3836 6146.3355 295.2837 PRESSURE: 1916800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1916800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1916800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1916800 0 0 0 0 0 0 0 0 0 TIMING: 1916800 CPU: 7682.94, 0.00393911/step Wall: 7682.94, 0.00393911/step, 0.638136 hours remaining, 114.421875 MB of memory in use. ENERGY: 1916800 652.6028 1873.5596 1945.7533 113.0653 1.4091 -1101.9009 0.0000 0.0000 2657.2655 6141.7546 293.5024 3484.4891 6171.8759 294.7513 PRESSURE: 1917000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1917000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1917000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1917000 0 0 0 0 0 0 0 0 0 TIMING: 1917000 CPU: 7683.73, 0.00394258/step Wall: 7683.73, 0.00394258/step, 0.63848 hours remaining, 114.421875 MB of memory in use. ENERGY: 1917000 641.5028 1821.1978 1900.9144 102.0566 2.9416 -1056.0467 0.0000 0.0000 2715.9014 6128.4678 299.9789 3412.5664 6163.6618 296.1288 PRESSURE: 1917200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1917200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1917200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1917200 0 0 0 0 0 0 0 0 0 TIMING: 1917200 CPU: 7684.52, 0.00394233/step Wall: 7684.52, 0.00394233/step, 0.638219 hours remaining, 114.421875 MB of memory in use. ENERGY: 1917200 673.0252 1833.5466 1958.6324 105.1098 2.9516 -1092.2068 0.0000 0.0000 2680.5140 6161.5729 296.0702 3481.0589 6194.1704 297.1410 PRESSURE: 1917400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1917400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1917400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1917400 0 0 0 0 0 0 0 0 0 TIMING: 1917400 CPU: 7685.31, 0.00394219/step Wall: 7685.31, 0.00394219/step, 0.637977 hours remaining, 114.421875 MB of memory in use. ENERGY: 1917400 668.4808 1835.0078 1973.3889 115.3992 2.5491 -1108.2160 0.0000 0.0000 2714.2788 6200.8886 299.7997 3486.6098 6236.4516 298.9545 PRESSURE: 1917600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1917600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1917600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1917600 0 0 0 0 0 0 0 0 0 TIMING: 1917600 CPU: 7686.09, 0.00394299/step Wall: 7686.09, 0.00394299/step, 0.637889 hours remaining, 114.421875 MB of memory in use. ENERGY: 1917600 644.8105 1836.2987 1945.1642 111.4875 1.7035 -1075.5810 0.0000 0.0000 2726.1959 6190.0792 301.1159 3463.8833 6225.4544 301.0848 PRESSURE: 1917800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1917800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1917800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1917800 0 0 0 0 0 0 0 0 0 TIMING: 1917800 CPU: 7686.88, 0.00393725/step Wall: 7686.88, 0.00393725/step, 0.63674 hours remaining, 114.421875 MB of memory in use. ENERGY: 1917800 642.9621 1886.4139 1917.6261 107.7302 2.4933 -1081.3549 0.0000 0.0000 2735.7823 6211.6531 302.1748 3475.8708 6245.0732 298.7777 PRESSURE: 1918000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1918000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1918000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1918000 0 0 0 0 0 0 0 0 0 TIMING: 1918000 CPU: 7687.67, 0.0039431/step Wall: 7687.67, 0.0039431/step, 0.637468 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1918000 620.8578 1867.3603 1930.5081 105.1035 1.2145 -1080.9997 0.0000 0.0000 2761.5832 6205.6277 305.0246 3444.0445 6240.8080 299.0343 PRESSURE: 1918200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1918200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1918200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1918200 0 0 0 0 0 0 0 0 0 TIMING: 1918200 CPU: 7688.46, 0.0039448/step Wall: 7688.46, 0.0039448/step, 0.637523 hours remaining, 114.421875 MB of memory in use. ENERGY: 1918200 681.9888 1899.7316 1952.8579 106.7539 1.6468 -1110.2860 0.0000 0.0000 2670.4517 6203.1448 294.9588 3532.6930 6236.5896 301.0069 PRESSURE: 1918400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1918400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1918400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1918400 0 0 0 0 0 0 0 0 0 TIMING: 1918400 CPU: 7689.25, 0.00394339/step Wall: 7689.25, 0.00394339/step, 0.637077 hours remaining, 114.421875 MB of memory in use. ENERGY: 1918400 655.5189 1870.3482 1933.5402 114.1110 2.4999 -1078.8179 0.0000 0.0000 2694.9134 6192.1136 297.6607 3497.2002 6222.9565 298.1222 PRESSURE: 1918600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1918600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1918600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1918600 0 0 0 0 0 0 0 0 0 TIMING: 1918600 CPU: 7690.04, 0.0039428/step Wall: 7690.04, 0.0039428/step, 0.636762 hours remaining, 114.421875 MB of memory in use. ENERGY: 1918600 661.9888 1901.5071 1958.7865 105.8960 0.9127 -1119.2548 0.0000 0.0000 2696.2915 6206.1277 297.8129 3509.8362 6238.5888 299.2042 PRESSURE: 1918800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1918800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1918800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1918800 0 0 0 0 0 0 0 0 0 TIMING: 1918800 CPU: 7690.82, 0.00393665/step Wall: 7690.82, 0.00393665/step, 0.63555 hours remaining, 114.421875 MB of memory in use. ENERGY: 1918800 616.9266 1913.4829 1970.0572 99.0050 1.9310 -1113.8888 0.0000 0.0000 2679.0140 6166.5280 295.9046 3487.5140 6200.7897 298.9524 PRESSURE: 1919000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1919000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1919000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1919000 0 0 0 0 0 0 0 0 0 TIMING: 1919000 CPU: 7691.61, 0.00394365/step Wall: 7691.61, 0.00394365/step, 0.636462 hours remaining, 114.421875 MB of memory in use. ENERGY: 1919000 625.3172 1840.1436 1963.7287 109.6108 2.3085 -1073.6147 0.0000 0.0000 2727.3644 6194.8585 301.2450 3467.4941 6226.7409 299.8573 PRESSURE: 1919200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1919200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1919200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1919200 0 0 0 0 0 0 0 0 0 TIMING: 1919200 CPU: 7692.4, 0.00394137/step Wall: 7692.4, 0.00394137/step, 0.635874 hours remaining, 114.421875 MB of memory in use. ENERGY: 1919200 634.7388 1899.6762 1943.2694 106.4325 1.7368 -1087.1001 0.0000 0.0000 2726.0014 6224.7552 301.0944 3498.7538 6256.7143 300.0465 PRESSURE: 1919400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1919400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1919400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1919400 0 0 0 0 0 0 0 0 0 TIMING: 1919400 CPU: 7693.19, 0.00394469/step Wall: 7693.19, 0.00394469/step, 0.636191 hours remaining, 114.421875 MB of memory in use. ENERGY: 1919400 640.8187 1850.7820 1963.4727 103.7106 2.2151 -1071.8427 0.0000 0.0000 2724.4945 6213.6509 300.9280 3489.1565 6248.0767 301.2307 PRESSURE: 1919600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1919600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1919600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1919600 0 0 0 0 0 0 0 0 0 TIMING: 1919600 CPU: 7693.98, 0.00393819/step Wall: 7693.98, 0.00393819/step, 0.634924 hours remaining, 114.421875 MB of memory in use. ENERGY: 1919600 666.9255 1825.0330 2003.1686 108.1464 2.0701 -1026.7068 0.0000 0.0000 2701.2991 6279.9358 298.3660 3578.6367 6311.0951 301.4676 PRESSURE: 1919800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1919800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1919800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1919800 0 0 0 0 0 0 0 0 0 TIMING: 1919800 CPU: 7694.77, 0.00393943/step Wall: 7694.77, 0.00393943/step, 0.634904 hours remaining, 114.421875 MB of memory in use. ENERGY: 1919800 669.1720 1848.8072 1936.8359 98.0248 1.7080 -1056.9805 0.0000 0.0000 2741.2047 6238.7721 302.7737 3497.5674 6271.3439 301.7265 PRESSURE: 1920000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1920000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1920000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1920000 0 0 0 0 0 0 0 0 0 TIMING: 1920000 CPU: 7695.55, 0.00394209/step Wall: 7695.55, 0.00394209/step, 0.635114 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1920000 668.2139 1876.7363 1945.4732 108.2458 0.9631 -1057.4214 0.0000 0.0000 2723.1052 6265.3161 300.7746 3542.2109 6297.3234 303.0325 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1920000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1920000 WRITING COORDINATES TO RESTART FILE AT STEP 1920000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1920000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1920200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1920200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1920200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1920200 0 0 0 0 0 0 0 0 0 TIMING: 1920200 CPU: 7697.13, 0.00789601/step Wall: 7697.13, 0.00789601/step, 1.2717 hours remaining, 114.421875 MB of memory in use. ENERGY: 1920200 629.1694 1835.1515 1954.6372 112.9130 0.2924 -1067.5293 0.0000 0.0000 2745.5982 6210.2323 303.2590 3464.6341 6245.7992 302.1175 LDB: ============= START OF LOAD BALANCING ============== 7700.09 LDB: ============== END OF LOAD BALANCING =============== 7700.09 LDB: =============== DONE WITH MIGRATION ================ 7700.09 LDB: ============= START OF LOAD BALANCING ============== 7700.48 LDB: ============== END OF LOAD BALANCING =============== 7700.48 LDB: =============== DONE WITH MIGRATION ================ 7700.49 PRESSURE: 1920400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1920400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1920400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1920400 0 0 0 0 0 0 0 0 0 TIMING: 1920400 CPU: 7697.92, 0.00393885/step Wall: 7697.92, 0.00393885/step, 0.634156 hours remaining, 114.421875 MB of memory in use. ENERGY: 1920400 633.2137 1867.0487 1977.6849 110.2544 1.7011 -1068.1941 0.0000 0.0000 2732.0801 6253.7888 301.7659 3521.7087 6287.0889 300.9771 PRESSURE: 1920600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1920600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1920600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1920600 0 0 0 0 0 0 0 0 0 TIMING: 1920600 CPU: 7698.71, 0.00394248/step Wall: 7698.71, 0.00394248/step, 0.634521 hours remaining, 114.421875 MB of memory in use. ENERGY: 1920600 646.7258 1891.9244 1975.1246 108.1778 0.6111 -1088.5445 0.0000 0.0000 2705.4180 6239.4372 298.8210 3534.0192 6273.4415 301.7706 PRESSURE: 1920800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1920800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1920800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1920800 0 0 0 0 0 0 0 0 0 TIMING: 1920800 CPU: 7699.5, 0.00393793/step Wall: 7699.5, 0.00393793/step, 0.633569 hours remaining, 114.421875 MB of memory in use. ENERGY: 1920800 657.3017 1905.6088 1944.0580 115.0387 2.6897 -1088.5371 0.0000 0.0000 2699.8224 6235.9822 298.2029 3536.1599 6267.8597 301.2504 PRESSURE: 1921000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1921000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1921000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1921000 0 0 0 0 0 0 0 0 0 TIMING: 1921000 CPU: 7700.28, 0.0039376/step Wall: 7700.28, 0.0039376/step, 0.633297 hours remaining, 114.421875 MB of memory in use. ENERGY: 1921000 644.2486 1837.3738 1947.6689 105.6759 0.9818 -1089.8389 0.0000 0.0000 2765.5329 6211.6429 305.4608 3446.1100 6247.6993 300.7889 PRESSURE: 1921200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1921200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1921200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1921200 0 0 0 0 0 0 0 0 0 TIMING: 1921200 CPU: 7702.21, 0.00963209/step Wall: 7702.21, 0.00963209/step, 1.54863 hours remaining, 114.421875 MB of memory in use. ENERGY: 1921200 645.5789 1855.9451 1991.6635 108.2401 0.7188 -1077.3974 0.0000 0.0000 2712.3251 6237.0741 299.5839 3524.7490 6273.4576 301.4751 PRESSURE: 1921400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1921400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1921400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1921400 0 0 0 0 0 0 0 0 0 TIMING: 1921400 CPU: 7703, 0.00395875/step Wall: 7703, 0.00395875/step, 0.636258 hours remaining, 114.421875 MB of memory in use. ENERGY: 1921400 646.2080 1869.8505 1963.7002 112.5705 1.4449 -1109.7741 0.0000 0.0000 2733.8008 6217.8008 301.9559 3484.0000 6252.0070 301.4727 PRESSURE: 1921600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1921600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1921600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1921600 0 0 0 0 0 0 0 0 0 TIMING: 1921600 CPU: 7703.79, 0.00393958/step Wall: 7703.79, 0.00393958/step, 0.632959 hours remaining, 114.421875 MB of memory in use. ENERGY: 1921600 659.7588 1862.8541 1960.1682 113.3703 2.2532 -1117.4092 0.0000 0.0000 2754.5481 6235.5436 304.2475 3480.9955 6270.3110 300.5143 PRESSURE: 1921800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1921800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1921800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1921800 0 0 0 0 0 0 0 0 0 TIMING: 1921800 CPU: 7704.58, 0.00393907/step Wall: 7704.58, 0.00393907/step, 0.632658 hours remaining, 114.421875 MB of memory in use. ENERGY: 1921800 664.3344 1839.0212 1953.6388 114.0777 1.3705 -1036.1057 0.0000 0.0000 2708.3852 6244.7221 299.1487 3536.3369 6280.5250 301.4285 PRESSURE: 1922000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1922000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1922000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1922000 0 0 0 0 0 0 0 0 0 TIMING: 1922000 CPU: 7705.37, 0.00393812/step Wall: 7705.37, 0.00393812/step, 0.632286 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1922000 634.6482 1852.0681 1968.1925 109.5327 2.2987 -1046.4956 0.0000 0.0000 2691.7712 6212.0159 297.3136 3520.2447 6243.7079 299.9819 PRESSURE: 1922200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1922200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1922200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1922200 0 0 0 0 0 0 0 0 0 TIMING: 1922200 CPU: 7706.15, 0.00393819/step Wall: 7706.15, 0.00393819/step, 0.632079 hours remaining, 114.421875 MB of memory in use. ENERGY: 1922200 640.2432 1827.9025 1950.9898 105.6832 2.7784 -1040.8085 0.0000 0.0000 2726.0617 6212.8503 301.1011 3486.7886 6250.7263 299.4675 PRESSURE: 1922400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1922400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1922400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1922400 0 0 0 0 0 0 0 0 0 TIMING: 1922400 CPU: 7706.94, 0.00393364/step Wall: 7706.94, 0.00393364/step, 0.631131 hours remaining, 114.421875 MB of memory in use. ENERGY: 1922400 680.0534 1857.7479 1936.1846 108.2830 2.4404 -1097.0444 0.0000 0.0000 2705.3028 6192.9678 298.8082 3487.6649 6225.2376 299.0044 PRESSURE: 1922600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1922600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1922600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1922600 0 0 0 0 0 0 0 0 0 TIMING: 1922600 CPU: 7707.73, 0.00393821/step Wall: 7707.73, 0.0039382/step, 0.631644 hours remaining, 114.421875 MB of memory in use. ENERGY: 1922600 634.1130 1884.6004 1978.9966 112.5517 1.5022 -1111.7375 0.0000 0.0000 2711.5276 6211.5540 299.4958 3500.0264 6244.8464 300.1685 PRESSURE: 1922800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1922800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1922800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1922800 0 0 0 0 0 0 0 0 0 TIMING: 1922800 CPU: 7708.52, 0.00393788/step Wall: 7708.52, 0.00393788/step, 0.631374 hours remaining, 114.421875 MB of memory in use. ENERGY: 1922800 659.3264 1784.7823 1940.4367 114.8586 2.8508 -1087.9292 0.0000 0.0000 2766.1269 6180.4524 305.5264 3414.3255 6216.9631 299.0459 PRESSURE: 1923000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1923000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1923000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1923000 0 0 0 0 0 0 0 0 0 TIMING: 1923000 CPU: 7709.3, 0.00393894/step Wall: 7709.3, 0.00393894/step, 0.631325 hours remaining, 114.421875 MB of memory in use. ENERGY: 1923000 681.9925 1908.4984 1938.6967 112.9485 1.8355 -1112.4888 0.0000 0.0000 2703.0362 6234.5190 298.5579 3531.4828 6266.9420 300.0630 PRESSURE: 1923200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1923200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1923200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1923200 0 0 0 0 0 0 0 0 0 TIMING: 1923200 CPU: 7710.09, 0.00393691/step Wall: 7710.09, 0.00393691/step, 0.630781 hours remaining, 114.421875 MB of memory in use. ENERGY: 1923200 634.9053 1822.3953 1980.6349 107.7551 2.3415 -1056.6371 0.0000 0.0000 2745.6226 6237.0176 303.2617 3491.3950 6273.7971 300.6091 PRESSURE: 1923400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1923400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1923400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1923400 0 0 0 0 0 0 0 0 0 TIMING: 1923400 CPU: 7710.88, 0.00393308/step Wall: 7710.88, 0.00393308/step, 0.629948 hours remaining, 114.421875 MB of memory in use. ENERGY: 1923400 679.6301 1871.0557 1965.4485 104.1094 2.0410 -1076.0647 0.0000 0.0000 2661.1002 6207.3203 293.9259 3546.2200 6240.0130 301.0259 PRESSURE: 1923600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1923600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1923600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1923600 0 0 0 0 0 0 0 0 0 TIMING: 1923600 CPU: 7711.67, 0.00394011/step Wall: 7711.67, 0.00394011/step, 0.630856 hours remaining, 114.421875 MB of memory in use. ENERGY: 1923600 661.1937 1915.7036 1948.1064 110.6794 1.5403 -1094.3523 0.0000 0.0000 2730.3953 6273.2663 301.5798 3542.8710 6304.9104 300.2214 PRESSURE: 1923800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1923800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1923800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1923800 0 0 0 0 0 0 0 0 0 TIMING: 1923800 CPU: 7712.45, 0.0039368/step Wall: 7712.45, 0.0039368/step, 0.630107 hours remaining, 114.421875 MB of memory in use. ENERGY: 1923800 699.2078 1865.5181 1953.2791 112.4143 1.3563 -1097.2715 0.0000 0.0000 2707.4484 6241.9526 299.0452 3534.5042 6272.8369 302.7069 PRESSURE: 1924000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1924000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1924000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1924000 0 0 0 0 0 0 0 0 0 TIMING: 1924000 CPU: 7713.24, 0.00393604/step Wall: 7713.24, 0.00393604/step, 0.629766 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1924000 646.4201 1853.2508 1967.3789 113.1629 1.8763 -1101.3166 0.0000 0.0000 2739.8728 6220.6451 302.6266 3480.7723 6253.3276 302.7030 PRESSURE: 1924200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1924200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1924200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1924200 0 0 0 0 0 0 0 0 0 TIMING: 1924200 CPU: 7714.03, 0.00393381/step Wall: 7714.03, 0.00393381/step, 0.629191 hours remaining, 114.421875 MB of memory in use. ENERGY: 1924200 669.6006 1851.8461 1982.1826 107.0165 2.8107 -1096.1657 0.0000 0.0000 2739.0294 6256.3202 302.5334 3517.2907 6289.0782 302.6904 LDB: ============= START OF LOAD BALANCING ============== 7716.99 LDB: ============== END OF LOAD BALANCING =============== 7716.99 LDB: =============== DONE WITH MIGRATION ================ 7716.99 LDB: ============= START OF LOAD BALANCING ============== 7717.38 LDB: ============== END OF LOAD BALANCING =============== 7717.38 LDB: =============== DONE WITH MIGRATION ================ 7717.38 PRESSURE: 1924400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1924400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1924400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1924400 0 0 0 0 0 0 0 0 0 TIMING: 1924400 CPU: 7714.81, 0.00394125/step Wall: 7714.81, 0.00394125/step, 0.630161 hours remaining, 114.421875 MB of memory in use. ENERGY: 1924400 641.5962 1827.3257 1983.5882 98.6444 1.3029 -1087.0582 0.0000 0.0000 2780.0933 6245.4925 307.0690 3465.3992 6279.0504 303.2380 PRESSURE: 1924600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1924600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1924600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1924600 0 0 0 0 0 0 0 0 0 TIMING: 1924600 CPU: 7715.6, 0.00393791/step Wall: 7715.6, 0.00393791/step, 0.629409 hours remaining, 114.421875 MB of memory in use. ENERGY: 1924600 665.2951 1867.2151 1959.8409 106.9294 2.0734 -1068.5428 0.0000 0.0000 2693.6201 6226.4312 297.5178 3532.8111 6259.6576 299.7299 PRESSURE: 1924800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1924800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1924800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1924800 0 0 0 0 0 0 0 0 0 TIMING: 1924800 CPU: 7716.39, 0.00393727/step Wall: 7716.39, 0.00393727/step, 0.629088 hours remaining, 114.421875 MB of memory in use. ENERGY: 1924800 685.9902 1810.5290 1937.4559 99.2486 2.7497 -1085.9951 0.0000 0.0000 2757.4272 6207.4055 304.5655 3449.9782 6243.1086 299.0258 PRESSURE: 1925000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1925000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1925000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1925000 0 0 0 0 0 0 0 0 0 TIMING: 1925000 CPU: 7717.18, 0.00393863/step Wall: 7717.18, 0.00393863/step, 0.629087 hours remaining, 114.421875 MB of memory in use. ENERGY: 1925000 613.3889 1819.7535 1954.6099 115.6678 2.9017 -1050.4080 0.0000 0.0000 2746.9536 6202.8674 303.4087 3455.9138 6236.3871 299.6038 PRESSURE: 1925200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1925200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1925200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1925200 0 0 0 0 0 0 0 0 0 TIMING: 1925200 CPU: 7717.96, 0.00393296/step Wall: 7717.96, 0.00393296/step, 0.627963 hours remaining, 114.421875 MB of memory in use. ENERGY: 1925200 634.2853 1826.9938 1955.7324 118.0190 1.9901 -1091.9464 0.0000 0.0000 2708.5596 6153.6339 299.1680 3445.0743 6185.8918 297.9332 PRESSURE: 1925400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1925400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1925400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1925400 0 0 0 0 0 0 0 0 0 TIMING: 1925400 CPU: 7718.75, 0.00393734/step Wall: 7718.75, 0.00393734/step, 0.628442 hours remaining, 114.421875 MB of memory in use. ENERGY: 1925400 624.6927 1810.7740 1959.9307 117.5927 0.5152 -1070.4111 0.0000 0.0000 2656.4706 6099.5646 293.4146 3443.0940 6132.8499 295.4952 PRESSURE: 1925600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1925600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1925600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1925600 0 0 0 0 0 0 0 0 0 TIMING: 1925600 CPU: 7719.54, 0.00393764/step Wall: 7719.54, 0.00393764/step, 0.628273 hours remaining, 114.421875 MB of memory in use. ENERGY: 1925600 632.9675 1799.6015 1963.4151 123.6666 1.7485 -1082.6257 0.0000 0.0000 2704.5459 6143.3195 298.7246 3438.7736 6176.4505 294.7009 PRESSURE: 1925800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1925800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1925800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1925800 0 0 0 0 0 0 0 0 0 TIMING: 1925800 CPU: 7720.33, 0.00393868/step Wall: 7720.33, 0.00393868/step, 0.628219 hours remaining, 114.421875 MB of memory in use. ENERGY: 1925800 658.4003 1813.5628 1989.7398 115.9043 2.4556 -1085.0883 0.0000 0.0000 2685.3645 6180.3389 296.6060 3494.9744 6213.6395 295.6080 PRESSURE: 1926000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1926000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1926000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1926000 0 0 0 0 0 0 0 0 0 TIMING: 1926000 CPU: 7721.11, 0.0039392/step Wall: 7721.11, 0.0039392/step, 0.628084 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1926000 617.8435 1827.2316 2009.6740 118.7326 1.8461 -1110.3378 0.0000 0.0000 2693.1403 6158.1305 297.4649 3464.9901 6192.2549 299.3643 PRESSURE: 1926200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1926200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1926200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1926200 0 0 0 0 0 0 0 0 0 TIMING: 1926200 CPU: 7721.9, 0.00393489/step Wall: 7721.9, 0.00393488/step, 0.627176 hours remaining, 114.421875 MB of memory in use. ENERGY: 1926200 651.3764 1860.5047 1973.5225 101.3229 1.0378 -1113.0837 0.0000 0.0000 2662.3659 6137.0465 294.0657 3474.6806 6168.3931 296.1352 PRESSURE: 1926400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1926400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1926400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1926400 0 0 0 0 0 0 0 0 0 TIMING: 1926400 CPU: 7722.69, 0.00393919/step Wall: 7722.69, 0.0039392/step, 0.627646 hours remaining, 114.421875 MB of memory in use. ENERGY: 1926400 649.8589 1832.1275 1961.3745 100.8257 1.7577 -1111.4097 0.0000 0.0000 2704.5887 6139.1233 298.7294 3434.5346 6173.2592 294.6337 PRESSURE: 1926600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1926600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1926600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1926600 0 0 0 0 0 0 0 0 0 TIMING: 1926600 CPU: 7723.48, 0.00393891/step Wall: 7723.48, 0.00393891/step, 0.627381 hours remaining, 114.421875 MB of memory in use. ENERGY: 1926600 611.4560 1839.8378 1962.7018 108.8244 0.1590 -1038.0902 0.0000 0.0000 2719.4724 6204.3613 300.3733 3484.8889 6237.9775 297.7282 PRESSURE: 1926800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1926800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1926800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1926800 0 0 0 0 0 0 0 0 0 TIMING: 1926800 CPU: 7724.27, 0.00393988/step Wall: 7724.27, 0.00393988/step, 0.627316 hours remaining, 114.421875 MB of memory in use. ENERGY: 1926800 652.1268 1850.3428 1938.3788 113.2949 0.8803 -1043.0287 0.0000 0.0000 2719.0533 6231.0482 300.3270 3511.9948 6262.9529 297.6546 PRESSURE: 1927000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1927000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1927000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1927000 0 0 0 0 0 0 0 0 0 TIMING: 1927000 CPU: 7725.05, 0.0039457/step Wall: 7725.05, 0.0039457/step, 0.628023 hours remaining, 114.421875 MB of memory in use. ENERGY: 1927000 642.4908 1835.1550 1977.9229 116.2058 1.6946 -1060.9725 0.0000 0.0000 2697.6043 6210.1010 297.9579 3512.4967 6241.9811 299.6244 PRESSURE: 1927200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1927200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1927200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1927200 0 0 0 0 0 0 0 0 0 TIMING: 1927200 CPU: 7725.84, 0.0039417/step Wall: 7725.84, 0.0039417/step, 0.627169 hours remaining, 114.421875 MB of memory in use. ENERGY: 1927200 648.2925 1869.2458 1926.1174 98.9526 0.7064 -1074.3657 0.0000 0.0000 2744.9973 6213.9463 303.1926 3468.9490 6248.0566 298.7807 PRESSURE: 1927400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1927400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1927400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1927400 0 0 0 0 0 0 0 0 0 TIMING: 1927400 CPU: 7726.63, 0.00394255/step Wall: 7726.63, 0.00394255/step, 0.627084 hours remaining, 114.421875 MB of memory in use. ENERGY: 1927400 687.8829 1829.2636 1969.9801 111.3142 1.3477 -1086.4196 0.0000 0.0000 2700.1556 6213.5245 298.2397 3513.3689 6248.4276 300.5454 PRESSURE: 1927600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1927600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1927600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1927600 0 0 0 0 0 0 0 0 0 TIMING: 1927600 CPU: 7727.42, 0.00393973/step Wall: 7727.42, 0.00393973/step, 0.626418 hours remaining, 114.421875 MB of memory in use. ENERGY: 1927600 633.8076 1891.9910 1955.8739 106.6760 2.1996 -1063.6740 0.0000 0.0000 2715.4504 6242.3245 299.9291 3526.8741 6274.4574 299.8868 PRESSURE: 1927800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1927800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1927800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1927800 0 0 0 0 0 0 0 0 0 TIMING: 1927800 CPU: 7728.21, 0.00394036/step Wall: 7728.21, 0.00394036/step, 0.626298 hours remaining, 114.421875 MB of memory in use. ENERGY: 1927800 641.8637 1840.8002 1964.7780 121.7294 0.6654 -1054.3946 0.0000 0.0000 2680.9783 6196.4203 296.1215 3515.4420 6230.6697 299.5941 PRESSURE: 1928000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1928000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1928000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1928000 0 0 0 0 0 0 0 0 0 TIMING: 1928000 CPU: 7728.99, 0.00393587/step Wall: 7728.99, 0.00393587/step, 0.625367 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1928000 665.9704 1853.5601 1989.8629 99.7632 2.9804 -1076.2150 0.0000 0.0000 2686.7960 6222.7180 296.7641 3535.9220 6252.8934 299.3393 PRESSURE: 1928200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1928200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1928200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1928200 0 0 0 0 0 0 0 0 0 TIMING: 1928200 CPU: 7729.78, 0.00394197/step Wall: 7729.78, 0.00394197/step, 0.626115 hours remaining, 114.421875 MB of memory in use. ENERGY: 1928200 645.9537 1893.5456 1950.9153 115.1571 2.3398 -1069.4597 0.0000 0.0000 2665.0486 6203.5006 294.3620 3538.4520 6236.6823 300.5504 LDB: ============= START OF LOAD BALANCING ============== 7732.74 LDB: ============== END OF LOAD BALANCING =============== 7732.74 LDB: =============== DONE WITH MIGRATION ================ 7732.74 LDB: ============= START OF LOAD BALANCING ============== 7733.14 LDB: ============== END OF LOAD BALANCING =============== 7733.14 LDB: =============== DONE WITH MIGRATION ================ 7733.14 PRESSURE: 1928400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1928400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1928400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1928400 0 0 0 0 0 0 0 0 0 TIMING: 1928400 CPU: 7730.57, 0.00394491/step Wall: 7730.57, 0.00394491/step, 0.626365 hours remaining, 114.421875 MB of memory in use. ENERGY: 1928400 675.7607 1837.8937 1941.8518 112.7966 2.6417 -1034.3089 0.0000 0.0000 2696.4837 6233.1192 297.8341 3536.6356 6268.2492 298.0391 PRESSURE: 1928600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1928600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1928600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1928600 0 0 0 0 0 0 0 0 0 TIMING: 1928600 CPU: 7731.36, 0.00394116/step Wall: 7731.36, 0.00394116/step, 0.625549 hours remaining, 114.421875 MB of memory in use. ENERGY: 1928600 662.8819 1919.3155 1932.7279 102.5949 2.4635 -1082.2110 0.0000 0.0000 2725.5491 6263.3218 301.0445 3537.7727 6297.6928 299.8141 PRESSURE: 1928800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1928800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1928800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1928800 0 0 0 0 0 0 0 0 0 TIMING: 1928800 CPU: 7732.15, 0.00393896/step Wall: 7732.15, 0.00393896/step, 0.624982 hours remaining, 114.421875 MB of memory in use. ENERGY: 1928800 653.8183 1867.1784 1960.8413 118.1239 2.4618 -1041.9580 0.0000 0.0000 2774.0011 6334.4667 306.3961 3560.4656 6368.8329 303.6789 PRESSURE: 1929000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1929000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1929000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1929000 0 0 0 0 0 0 0 0 0 TIMING: 1929000 CPU: 7732.93, 0.00393289/step Wall: 7732.93, 0.00393289/step, 0.6238 hours remaining, 114.421875 MB of memory in use. ENERGY: 1929000 679.2778 1897.7457 1964.9317 108.3222 1.2455 -1092.3110 0.0000 0.0000 2755.2360 6314.4480 304.3235 3559.2120 6350.3481 306.0617 PRESSURE: 1929200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1929200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1929200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1929200 0 0 0 0 0 0 0 0 0 TIMING: 1929200 CPU: 7733.72, 0.00393993/step Wall: 7733.72, 0.00393993/step, 0.624698 hours remaining, 114.421875 MB of memory in use. ENERGY: 1929200 684.5654 1946.2055 1976.2901 102.8041 2.1087 -1087.4977 0.0000 0.0000 2743.2286 6367.7046 302.9972 3624.4760 6399.7425 307.5417 PRESSURE: 1929400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1929400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1929400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1929400 0 0 0 0 0 0 0 0 0 TIMING: 1929400 CPU: 7734.51, 0.00394115/step Wall: 7734.51, 0.00394115/step, 0.624672 hours remaining, 114.421875 MB of memory in use. ENERGY: 1929400 679.3023 1840.5264 1949.8596 106.5923 1.7027 -1059.7334 0.0000 0.0000 2758.6302 6276.8800 304.6984 3518.2498 6310.8743 304.4419 PRESSURE: 1929600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1929600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1929600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1929600 0 0 0 0 0 0 0 0 0 TIMING: 1929600 CPU: 7735.3, 0.00394286/step Wall: 7735.3, 0.00394286/step, 0.624724 hours remaining, 114.421875 MB of memory in use. ENERGY: 1929600 657.4424 1923.8188 1950.2469 100.5822 2.0032 -1052.4383 0.0000 0.0000 2698.3894 6280.0446 298.0446 3581.6552 6310.9502 303.0265 PRESSURE: 1929800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1929800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1929800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1929800 0 0 0 0 0 0 0 0 0 TIMING: 1929800 CPU: 7736.09, 0.00393882/step Wall: 7736.09, 0.00393882/step, 0.623865 hours remaining, 114.421875 MB of memory in use. ENERGY: 1929800 658.9869 1932.2395 1960.2382 102.4527 0.7595 -1113.4054 0.0000 0.0000 2726.8733 6268.1447 301.1907 3541.2714 6299.4423 303.2085 PRESSURE: 1930000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1930000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1930000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1930000 0 0 0 0 0 0 0 0 0 TIMING: 1930000 CPU: 7736.88, 0.00394379/step Wall: 7736.88, 0.00394379/step, 0.624433 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1930000 628.1506 1843.3721 1962.3581 108.0201 2.3835 -1083.7201 0.0000 0.0000 2792.6658 6253.2301 308.4577 3460.5642 6288.2143 302.5397 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1930000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1930000 WRITING COORDINATES TO RESTART FILE AT STEP 1930000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1930000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1930200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1930200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1930200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1930200 0 0 0 0 0 0 0 0 0 TIMING: 1930200 CPU: 7737.71, 0.00416395/step Wall: 7737.71, 0.00416395/step, 0.659061 hours remaining, 114.421875 MB of memory in use. ENERGY: 1930200 647.9935 1870.8999 1986.8628 122.2902 0.1324 -1080.4442 0.0000 0.0000 2778.5794 6326.3141 306.9018 3547.7346 6359.2637 302.4136 PRESSURE: 1930400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1930400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1930400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1930400 0 0 0 0 0 0 0 0 0 TIMING: 1930400 CPU: 7738.5, 0.0039549/step Wall: 7738.5, 0.0039549/step, 0.625752 hours remaining, 114.421875 MB of memory in use. ENERGY: 1930400 670.9886 1855.1012 1983.0673 98.5516 0.5821 -1059.1623 0.0000 0.0000 2740.8489 6289.9774 302.7344 3549.1284 6324.2108 304.9326 PRESSURE: 1930600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1930600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1930600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1930600 0 0 0 0 0 0 0 0 0 TIMING: 1930600 CPU: 7739.29, 0.00394054/step Wall: 7739.29, 0.00394054/step, 0.623263 hours remaining, 114.421875 MB of memory in use. ENERGY: 1930600 662.2242 1857.7866 1968.4246 117.4459 -0.0708 -1095.6410 0.0000 0.0000 2721.2892 6231.4587 300.5740 3510.1695 6265.3826 301.1812 PRESSURE: 1930800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1930800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1930800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1930800 0 0 0 0 0 0 0 0 0 TIMING: 1930800 CPU: 7740.08, 0.00393836/step Wall: 7740.08, 0.00393836/step, 0.622699 hours remaining, 114.421875 MB of memory in use. ENERGY: 1930800 677.1933 1839.3198 1949.4717 108.9740 1.4140 -1062.8828 0.0000 0.0000 2687.5700 6201.0601 296.8496 3513.4900 6235.4549 299.3645 PRESSURE: 1931000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1931000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1931000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1931000 0 0 0 0 0 0 0 0 0 TIMING: 1931000 CPU: 7740.86, 0.00394199/step Wall: 7740.86, 0.00394199/step, 0.623053 hours remaining, 114.421875 MB of memory in use. ENERGY: 1931000 640.6156 1812.7266 1992.0037 119.3532 0.0120 -1078.7329 0.0000 0.0000 2726.5912 6212.5694 301.1596 3485.9782 6247.2881 298.8633 PRESSURE: 1931200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1931200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1931200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1931200 0 0 0 0 0 0 0 0 0 TIMING: 1931200 CPU: 7741.65, 0.00394223/step Wall: 7741.65, 0.00394223/step, 0.622873 hours remaining, 114.421875 MB of memory in use. ENERGY: 1931200 660.0993 1866.3679 1992.2884 112.6258 0.5686 -1128.1999 0.0000 0.0000 2714.9575 6218.7076 299.8746 3503.7501 6252.0438 299.2154 PRESSURE: 1931400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1931400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1931400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1931400 0 0 0 0 0 0 0 0 0 TIMING: 1931400 CPU: 7742.44, 0.00393972/step Wall: 7742.44, 0.00393972/step, 0.622256 hours remaining, 114.421875 MB of memory in use. ENERGY: 1931400 656.0402 1873.5133 1959.6427 103.5928 0.9427 -1099.4401 0.0000 0.0000 2696.0356 6190.3272 297.7846 3494.2916 6220.6252 300.2326 PRESSURE: 1931600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1931600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1931600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1931600 0 0 0 0 0 0 0 0 0 TIMING: 1931600 CPU: 7743.23, 0.00394035/step Wall: 7743.23, 0.00394035/step, 0.622138 hours remaining, 114.421875 MB of memory in use. ENERGY: 1931600 659.6987 1795.1892 1972.7892 102.1895 0.4510 -1023.3204 0.0000 0.0000 2698.3705 6205.3677 298.0425 3506.9972 6237.4101 298.2876 PRESSURE: 1931800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1931800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1931800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1931800 0 0 0 0 0 0 0 0 0 TIMING: 1931800 CPU: 7744.02, 0.00393417/step Wall: 7744.02, 0.00393417/step, 0.620944 hours remaining, 114.421875 MB of memory in use. ENERGY: 1931800 627.9853 1858.0865 1949.7575 106.2724 1.0298 -1085.6336 0.0000 0.0000 2738.9116 6196.4095 302.5204 3457.4980 6229.9642 297.9164 PRESSURE: 1932000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1932000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1932000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1932000 0 0 0 0 0 0 0 0 0 TIMING: 1932000 CPU: 7744.8, 0.00394/step Wall: 7744.8, 0.00394/step, 0.621645 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1932000 642.3376 1830.4937 1970.6101 111.0639 0.3133 -1065.1904 0.0000 0.0000 2707.5467 6197.1750 299.0561 3489.6283 6228.9547 300.2862 PRESSURE: 1932200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1932200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1932200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1932200 0 0 0 0 0 0 0 0 0 TIMING: 1932200 CPU: 7745.59, 0.00394148/step Wall: 7745.59, 0.00394148/step, 0.62166 hours remaining, 114.421875 MB of memory in use. ENERGY: 1932200 663.6587 1846.4716 1977.7866 98.7197 0.7542 -1094.1199 0.0000 0.0000 2712.0368 6205.3077 299.5520 3493.2709 6238.4845 299.3762 LDB: ============= START OF LOAD BALANCING ============== 7748.55 LDB: ============== END OF LOAD BALANCING =============== 7748.55 LDB: =============== DONE WITH MIGRATION ================ 7748.55 LDB: ============= START OF LOAD BALANCING ============== 7748.94 LDB: ============== END OF LOAD BALANCING =============== 7748.94 LDB: =============== DONE WITH MIGRATION ================ 7748.94 PRESSURE: 1932400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1932400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1932400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1932400 0 0 0 0 0 0 0 0 0 TIMING: 1932400 CPU: 7746.38, 0.00394552/step Wall: 7746.38, 0.00394552/step, 0.622076 hours remaining, 114.421875 MB of memory in use. ENERGY: 1932400 649.8893 1866.1244 1923.5928 116.1378 1.4791 -1069.8879 0.0000 0.0000 2708.6822 6196.0176 299.1815 3487.3354 6229.9895 300.0749 PRESSURE: 1932600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1932600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1932600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1932600 0 0 0 0 0 0 0 0 0 TIMING: 1932600 CPU: 7747.17, 0.00394035/step Wall: 7747.17, 0.00394035/step, 0.621043 hours remaining, 114.421875 MB of memory in use. ENERGY: 1932600 657.3474 1807.4466 1963.1385 107.2061 1.5692 -1054.1489 0.0000 0.0000 2717.4556 6200.0144 300.1505 3482.5588 6231.3349 297.1111 PRESSURE: 1932800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1932800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1932800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1932800 0 0 0 0 0 0 0 0 0 TIMING: 1932800 CPU: 7747.96, 0.00393412/step Wall: 7747.96, 0.00393412/step, 0.619843 hours remaining, 114.421875 MB of memory in use. ENERGY: 1932800 624.8290 1825.3579 1937.3941 123.1777 2.0520 -1049.2447 0.0000 0.0000 2658.9545 6122.5205 293.6889 3463.5660 6154.6963 295.0070 PRESSURE: 1933000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1933000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1933000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1933000 0 0 0 0 0 0 0 0 0 TIMING: 1933000 CPU: 7748.74, 0.00394104/step Wall: 7748.74, 0.00394104/step, 0.620715 hours remaining, 114.421875 MB of memory in use. ENERGY: 1933000 660.7765 1795.0954 1976.4968 111.0382 0.1009 -1041.6106 0.0000 0.0000 2576.9131 6078.8102 284.6272 3501.8972 6106.6566 293.2464 PRESSURE: 1933200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1933200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1933200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1933200 0 0 0 0 0 0 0 0 0 TIMING: 1933200 CPU: 7749.53, 0.00394043/step Wall: 7749.53, 0.00394043/step, 0.620398 hours remaining, 114.421875 MB of memory in use. ENERGY: 1933200 680.0340 1802.6227 1972.2505 100.2562 1.4917 -1062.8159 0.0000 0.0000 2594.6476 6088.4866 286.5861 3493.8391 6121.3685 292.1410 PRESSURE: 1933400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1933400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1933400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1933400 0 0 0 0 0 0 0 0 0 TIMING: 1933400 CPU: 7750.32, 0.00393914/step Wall: 7750.32, 0.00393914/step, 0.619978 hours remaining, 114.421875 MB of memory in use. ENERGY: 1933400 638.4368 1822.5654 1968.7143 106.3742 0.5096 -1064.7263 0.0000 0.0000 2649.8222 6121.6962 292.6802 3471.8740 6153.0997 293.4737 PRESSURE: 1933600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1933600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1933600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1933600 0 0 0 0 0 0 0 0 0 TIMING: 1933600 CPU: 7751.11, 0.00393644/step Wall: 7751.11, 0.00393644/step, 0.619333 hours remaining, 114.421875 MB of memory in use. ENERGY: 1933600 650.6974 1840.8821 1965.0654 111.1720 1.3885 -1061.7907 0.0000 0.0000 2665.8687 6173.2835 294.4526 3507.4147 6205.5934 298.0315 PRESSURE: 1933800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1933800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1933800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1933800 0 0 0 0 0 0 0 0 0 TIMING: 1933800 CPU: 7751.89, 0.00394061/step Wall: 7751.89, 0.00394061/step, 0.61977 hours remaining, 114.421875 MB of memory in use. ENERGY: 1933800 623.0242 1844.3129 1912.4282 108.7798 0.5828 -1062.1020 0.0000 0.0000 2710.6579 6137.6838 299.3997 3427.0259 6172.1662 294.9875 PRESSURE: 1934000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1934000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1934000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1934000 0 0 0 0 0 0 0 0 0 TIMING: 1934000 CPU: 7752.68, 0.0039422/step Wall: 7752.68, 0.0039422/step, 0.619801 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1934000 664.3879 1805.1721 1952.6347 110.8061 1.5599 -1058.9365 0.0000 0.0000 2661.3205 6136.9446 293.9503 3475.6241 6168.5210 294.1911 PRESSURE: 1934200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1934200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1934200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1934200 0 0 0 0 0 0 0 0 0 TIMING: 1934200 CPU: 7753.47, 0.00394489/step Wall: 7753.47, 0.00394489/step, 0.620005 hours remaining, 114.421875 MB of memory in use. ENERGY: 1934200 640.5415 1885.2464 1911.0877 108.2338 1.6424 -1073.6050 0.0000 0.0000 2656.7452 6129.8920 293.4449 3473.1468 6163.6601 293.5319 PRESSURE: 1934400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1934400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1934400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1934400 0 0 0 0 0 0 0 0 0 TIMING: 1934400 CPU: 7754.26, 0.00394356/step Wall: 7754.26, 0.00394356/step, 0.619577 hours remaining, 114.421875 MB of memory in use. ENERGY: 1934400 646.4812 1860.9122 1911.2617 89.2764 3.9244 -1066.6117 0.0000 0.0000 2681.4201 6126.6644 296.1703 3445.2443 6157.0359 295.6098 PRESSURE: 1934600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1934600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1934600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1934600 0 0 0 0 0 0 0 0 0 TIMING: 1934600 CPU: 7755.05, 0.00393663/step Wall: 7755.05, 0.00393663/step, 0.618269 hours remaining, 114.421875 MB of memory in use. ENERGY: 1934600 633.3343 1836.8384 1947.4698 110.5970 2.6591 -1074.5152 0.0000 0.0000 2674.0574 6130.4409 295.3571 3456.3835 6166.6362 294.5626 PRESSURE: 1934800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1934800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1934800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1934800 0 0 0 0 0 0 0 0 0 TIMING: 1934800 CPU: 7755.84, 0.00394315/step Wall: 7755.84, 0.00394315/step, 0.619075 hours remaining, 114.421875 MB of memory in use. ENERGY: 1934800 658.4602 1845.2582 1926.4458 104.4269 2.8926 -1093.4582 0.0000 0.0000 2717.3473 6161.3728 300.1386 3444.0255 6194.3065 295.8500 PRESSURE: 1935000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1935000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1935000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1935000 0 0 0 0 0 0 0 0 0 TIMING: 1935000 CPU: 7756.63, 0.0039423/step Wall: 7756.63, 0.0039423/step, 0.618723 hours remaining, 114.421875 MB of memory in use. ENERGY: 1935000 644.6907 1835.3578 1919.2569 99.6597 4.4392 -1071.0289 0.0000 0.0000 2696.2175 6128.5930 297.8047 3432.3755 6162.8427 296.5026 PRESSURE: 1935200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1935200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1935200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1935200 0 0 0 0 0 0 0 0 0 TIMING: 1935200 CPU: 7757.41, 0.00394151/step Wall: 7757.41, 0.00394151/step, 0.618379 hours remaining, 114.421875 MB of memory in use. ENERGY: 1935200 664.6148 1825.5989 1939.7537 100.7799 2.0292 -1088.2452 0.0000 0.0000 2704.0355 6148.5666 298.6683 3444.5311 6179.9135 296.6664 PRESSURE: 1935400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1935400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1935400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1935400 0 0 0 0 0 0 0 0 0 TIMING: 1935400 CPU: 7758.2, 0.00394115/step Wall: 7758.2, 0.00394115/step, 0.618104 hours remaining, 114.421875 MB of memory in use. ENERGY: 1935400 655.3259 1886.2838 1964.5484 99.0778 2.8317 -1116.1798 0.0000 0.0000 2714.1792 6206.0670 299.7887 3491.8877 6237.9823 298.0350 PRESSURE: 1935600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1935600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1935600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1935600 0 0 0 0 0 0 0 0 0 TIMING: 1935600 CPU: 7758.99, 0.00393585/step Wall: 7758.99, 0.00393585/step, 0.617054 hours remaining, 114.421875 MB of memory in use. ENERGY: 1935600 662.1553 1865.9735 1948.8037 120.3157 2.2668 -1080.0809 0.0000 0.0000 2706.0567 6225.4906 298.8915 3519.4339 6258.1914 300.5573 PRESSURE: 1935800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1935800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1935800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1935800 0 0 0 0 0 0 0 0 0 TIMING: 1935800 CPU: 7759.78, 0.00394408/step Wall: 7759.78, 0.00394408/step, 0.618124 hours remaining, 114.421875 MB of memory in use. ENERGY: 1935800 707.1148 1893.0409 1949.2245 109.1697 2.7666 -1097.8836 0.0000 0.0000 2700.0102 6263.4431 298.2236 3563.4329 6294.4644 302.6311 PRESSURE: 1936000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1936000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1936000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1936000 0 0 0 0 0 0 0 0 0 TIMING: 1936000 CPU: 7760.57, 0.00394341/step Wall: 7760.57, 0.00394341/step, 0.6178 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1936000 671.2997 1833.5346 1928.9297 108.3849 2.0175 -1113.2982 0.0000 0.0000 2792.7555 6223.6238 308.4676 3430.8683 6256.7967 302.5122 PRESSURE: 1936200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1936200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1936200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1936200 0 0 0 0 0 0 0 0 0 TIMING: 1936200 CPU: 7761.36, 0.00394222/step Wall: 7761.36, 0.00394222/step, 0.617395 hours remaining, 114.421875 MB of memory in use. ENERGY: 1936200 621.1218 1843.7761 1955.7619 106.5135 1.6015 -1075.8375 0.0000 0.0000 2722.2150 6175.1522 300.6762 3452.9372 6211.8242 299.8712 LDB: ============= START OF LOAD BALANCING ============== 7764.31 LDB: ============== END OF LOAD BALANCING =============== 7764.31 LDB: =============== DONE WITH MIGRATION ================ 7764.31 LDB: ============= START OF LOAD BALANCING ============== 7764.71 LDB: ============== END OF LOAD BALANCING =============== 7764.71 LDB: =============== DONE WITH MIGRATION ================ 7764.71 PRESSURE: 1936400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1936400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1936400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1936400 0 0 0 0 0 0 0 0 0 TIMING: 1936400 CPU: 7762.14, 0.00394073/step Wall: 7762.14, 0.00394073/step, 0.616942 hours remaining, 114.421875 MB of memory in use. ENERGY: 1936400 664.8092 1876.8098 1915.1007 110.9831 3.1191 -1088.9005 0.0000 0.0000 2727.7472 6209.6687 301.2873 3481.9215 6245.0166 299.9056 PRESSURE: 1936600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1936600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1936600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1936600 0 0 0 0 0 0 0 0 0 TIMING: 1936600 CPU: 7762.93, 0.00394279/step Wall: 7762.93, 0.00394279/step, 0.617047 hours remaining, 114.421875 MB of memory in use. ENERGY: 1936600 679.0142 1839.0539 1924.5301 121.1961 1.6843 -1098.6380 0.0000 0.0000 2660.9920 6127.8327 293.9140 3466.8407 6160.5251 297.8174 PRESSURE: 1936800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1936800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1936800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1936800 0 0 0 0 0 0 0 0 0 TIMING: 1936800 CPU: 7763.72, 0.00394354/step Wall: 7763.72, 0.00394354/step, 0.616945 hours remaining, 114.421875 MB of memory in use. ENERGY: 1936800 627.2098 1797.5276 1959.9458 118.9667 0.7352 -1068.2485 0.0000 0.0000 2677.0425 6113.1792 295.6868 3436.1366 6147.1377 295.1539 PRESSURE: 1937000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1937000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1937000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1937000 0 0 0 0 0 0 0 0 0 TIMING: 1937000 CPU: 7764.51, 0.00394373/step Wall: 7764.51, 0.00394373/step, 0.616756 hours remaining, 114.421875 MB of memory in use. ENERGY: 1937000 630.3285 1826.5726 1941.7686 112.1908 0.7091 -1110.9363 0.0000 0.0000 2717.2621 6117.8954 300.1292 3400.6333 6151.2745 295.6117 PRESSURE: 1937200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1937200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1937200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1937200 0 0 0 0 0 0 0 0 0 TIMING: 1937200 CPU: 7765.3, 0.00394524/step Wall: 7765.3, 0.00394524/step, 0.616773 hours remaining, 114.421875 MB of memory in use. ENERGY: 1937200 666.0361 1824.9593 1949.7734 106.5215 1.4396 -1111.4087 0.0000 0.0000 2674.5606 6111.8818 295.4127 3437.3212 6148.2018 293.8661 PRESSURE: 1937400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1937400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1937400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1937400 0 0 0 0 0 0 0 0 0 TIMING: 1937400 CPU: 7766.09, 0.00393911/step Wall: 7766.09, 0.00393911/step, 0.615596 hours remaining, 114.421875 MB of memory in use. ENERGY: 1937400 661.8073 1848.2142 1949.1586 97.9064 2.6591 -1091.7616 0.0000 0.0000 2656.7211 6124.7052 293.4422 3467.9841 6158.5399 293.4971 PRESSURE: 1937600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1937600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1937600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1937600 0 0 0 0 0 0 0 0 0 TIMING: 1937600 CPU: 7766.87, 0.0039435/step Wall: 7766.87, 0.00394349/step, 0.616061 hours remaining, 114.421875 MB of memory in use. ENERGY: 1937600 641.4341 1828.0856 1960.6673 104.2271 1.4483 -1110.2839 0.0000 0.0000 2681.2785 6106.8570 296.1547 3425.5785 6141.4108 295.2384 PRESSURE: 1937800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1937800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1937800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1937800 0 0 0 0 0 0 0 0 0 TIMING: 1937800 CPU: 7767.66, 0.00394365/step Wall: 7767.66, 0.00394366/step, 0.615868 hours remaining, 114.421875 MB of memory in use. ENERGY: 1937800 613.6751 1817.7804 1940.9337 106.1189 2.0150 -1055.6211 0.0000 0.0000 2657.5838 6082.4858 293.5375 3424.9020 6115.1387 293.0756 PRESSURE: 1938000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1938000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1938000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1938000 0 0 0 0 0 0 0 0 0 TIMING: 1938000 CPU: 7768.45, 0.00394388/step Wall: 7768.45, 0.00394388/step, 0.615684 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1938000 636.5375 1824.8012 1934.3395 103.6415 0.9834 -1058.6312 0.0000 0.0000 2702.9672 6144.6391 298.5503 3441.6719 6178.3732 295.4985 PRESSURE: 1938200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1938200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1938200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1938200 0 0 0 0 0 0 0 0 0 TIMING: 1938200 CPU: 7769.24, 0.00394286/step Wall: 7769.24, 0.00394285/step, 0.615304 hours remaining, 114.421875 MB of memory in use. ENERGY: 1938200 656.0153 1815.5617 1917.4942 107.1654 2.3625 -1073.0046 0.0000 0.0000 2718.4026 6143.9971 300.2551 3425.5945 6177.5514 296.6176 PRESSURE: 1938400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1938400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1938400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1938400 0 0 0 0 0 0 0 0 0 TIMING: 1938400 CPU: 7770.03, 0.003937/step Wall: 7770.03, 0.00393701/step, 0.614173 hours remaining, 114.421875 MB of memory in use. ENERGY: 1938400 659.8538 1893.0508 1928.7673 112.5525 2.4370 -1088.5039 0.0000 0.0000 2653.3535 6161.5110 293.0703 3508.1575 6192.7716 295.5316 PRESSURE: 1938600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1938600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1938600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1938600 0 0 0 0 0 0 0 0 0 TIMING: 1938600 CPU: 7777.32, 0.0364584/step Wall: 7777.32, 0.0364584/step, 5.68548 hours remaining, 114.421875 MB of memory in use. ENERGY: 1938600 655.2988 1836.6798 1937.1425 102.4260 2.3964 -1066.5236 0.0000 0.0000 2692.1109 6159.5308 297.3511 3467.4199 6193.6823 293.3946 PRESSURE: 1938800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1938800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1938800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1938800 0 0 0 0 0 0 0 0 0 TIMING: 1938800 CPU: 7778.13, 0.00402675/step Wall: 7778.13, 0.00402675/step, 0.627726 hours remaining, 114.421875 MB of memory in use. ENERGY: 1938800 661.4983 1788.2767 1984.1628 110.0754 1.2725 -1070.3823 0.0000 0.0000 2740.2343 6215.1376 302.6665 3474.9033 6250.3271 298.2026 PRESSURE: 1939000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1939000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1939000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1939000 0 0 0 0 0 0 0 0 0 TIMING: 1939000 CPU: 7778.92, 0.00395784/step Wall: 7778.92, 0.00395784/step, 0.616763 hours remaining, 114.421875 MB of memory in use. ENERGY: 1939000 631.9094 1854.8558 2001.5548 105.1182 2.1611 -1077.5480 0.0000 0.0000 2729.4084 6247.4596 301.4708 3518.0512 6279.3902 300.3410 PRESSURE: 1939200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1939200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1939200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1939200 0 0 0 0 0 0 0 0 0 TIMING: 1939200 CPU: 7779.71, 0.00394255/step Wall: 7779.71, 0.00394255/step, 0.614162 hours remaining, 114.421875 MB of memory in use. ENERGY: 1939200 625.9601 1871.6391 1976.3735 110.9473 1.1921 -1071.9970 0.0000 0.0000 2733.5034 6247.6184 301.9231 3514.1150 6280.0853 302.7461 PRESSURE: 1939400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1939400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1939400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1939400 0 0 0 0 0 0 0 0 0 TIMING: 1939400 CPU: 7780.49, 0.0039432/step Wall: 7780.49, 0.0039432/step, 0.614044 hours remaining, 114.421875 MB of memory in use. ENERGY: 1939400 673.4605 1856.3894 1966.8450 112.8159 2.0403 -1089.6997 0.0000 0.0000 2722.9727 6244.8242 300.7599 3521.8514 6276.9705 303.3397 PRESSURE: 1939600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1939600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1939600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1939600 0 0 0 0 0 0 0 0 0 TIMING: 1939600 CPU: 7781.28, 0.00394317/step Wall: 7781.28, 0.00394317/step, 0.61382 hours remaining, 114.421875 MB of memory in use. ENERGY: 1939600 632.5381 1848.1905 1929.8292 122.0411 1.8093 -1064.6831 0.0000 0.0000 2728.9415 6198.6666 301.4192 3469.7251 6231.1909 298.6985 PRESSURE: 1939800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1939800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1939800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1939800 0 0 0 0 0 0 0 0 0 TIMING: 1939800 CPU: 7782.07, 0.00393767/step Wall: 7782.07, 0.00393767/step, 0.612744 hours remaining, 114.421875 MB of memory in use. ENERGY: 1939800 650.4625 1824.9046 1950.3166 98.0223 1.0342 -1111.5270 0.0000 0.0000 2720.0759 6133.2891 300.4400 3413.2132 6168.7484 298.1774 PRESSURE: 1940000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1940000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1940000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1940000 0 0 0 0 0 0 0 0 0 TIMING: 1940000 CPU: 7782.86, 0.00394336/step Wall: 7782.86, 0.00394336/step, 0.613412 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1940000 645.4235 1892.4961 1941.7738 110.1493 1.1501 -1114.3079 0.0000 0.0000 2653.9211 6130.6060 293.1330 3476.6849 6162.5146 294.8819 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1940000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1940000 WRITING COORDINATES TO RESTART FILE AT STEP 1940000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1940000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1940200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1940200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1940200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1940200 0 0 0 0 0 0 0 0 0 TIMING: 1940200 CPU: 7783.78, 0.00461483/step Wall: 7783.78, 0.00461483/step, 0.717605 hours remaining, 114.421875 MB of memory in use. ENERGY: 1940200 635.0650 1845.7120 1964.9725 111.1630 1.8805 -1112.3328 0.0000 0.0000 2690.1706 6136.6308 297.1368 3446.4603 6170.8955 295.9775 LDB: ============= START OF LOAD BALANCING ============== 7786.74 LDB: ============== END OF LOAD BALANCING =============== 7786.74 LDB: =============== DONE WITH MIGRATION ================ 7786.74 LDB: ============= START OF LOAD BALANCING ============== 7787.14 LDB: ============== END OF LOAD BALANCING =============== 7787.14 LDB: =============== DONE WITH MIGRATION ================ 7787.14 PRESSURE: 1940400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1940400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1940400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1940400 0 0 0 0 0 0 0 0 0 TIMING: 1940400 CPU: 7784.57, 0.00394753/step Wall: 7784.57, 0.00394753/step, 0.613621 hours remaining, 114.421875 MB of memory in use. ENERGY: 1940400 646.0940 1886.1555 1937.5329 125.9011 2.7877 -1077.7304 0.0000 0.0000 2663.3134 6184.0544 294.1704 3520.7409 6215.4541 297.1989 PRESSURE: 1940600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1940600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1940600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1940600 0 0 0 0 0 0 0 0 0 TIMING: 1940600 CPU: 7785.36, 0.00395542/step Wall: 7785.36, 0.00395542/step, 0.614628 hours remaining, 114.421875 MB of memory in use. ENERGY: 1940600 606.7112 1794.8773 1973.1070 115.8113 1.7278 -1057.1493 0.0000 0.0000 2749.6282 6184.7134 303.7041 3435.0852 6221.1811 298.1815 PRESSURE: 1940800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1940800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1940800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1940800 0 0 0 0 0 0 0 0 0 TIMING: 1940800 CPU: 7786.15, 0.0039422/step Wall: 7786.15, 0.0039422/step, 0.612355 hours remaining, 114.421875 MB of memory in use. ENERGY: 1940800 656.0405 1812.0705 1967.8834 106.0341 1.4125 -1065.1191 0.0000 0.0000 2697.0546 6175.3764 297.8972 3478.3218 6208.9948 297.2578 PRESSURE: 1941000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1941000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1941000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1941000 0 0 0 0 0 0 0 0 0 TIMING: 1941000 CPU: 7786.94, 0.00394754/step Wall: 7786.94, 0.00394754/step, 0.612965 hours remaining, 114.421875 MB of memory in use. ENERGY: 1941000 677.5779 1842.6067 1945.8820 101.1811 1.5919 -1072.4938 0.0000 0.0000 2724.2010 6220.5469 300.8956 3496.3459 6254.0138 300.1830 PRESSURE: 1941200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1941200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1941200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1941200 0 0 0 0 0 0 0 0 0 TIMING: 1941200 CPU: 7787.73, 0.00394392/step Wall: 7787.73, 0.00394392/step, 0.612185 hours remaining, 114.421875 MB of memory in use. ENERGY: 1941200 662.8732 1839.0837 1951.8777 109.8371 2.2386 -1056.3232 0.0000 0.0000 2700.9201 6210.5073 298.3242 3509.5871 6243.2712 299.5044 PRESSURE: 1941400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1941400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1941400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1941400 0 0 0 0 0 0 0 0 0 TIMING: 1941400 CPU: 7788.52, 0.0039436/step Wall: 7788.52, 0.0039436/step, 0.611915 hours remaining, 114.421875 MB of memory in use. ENERGY: 1941400 661.2521 1878.6422 1979.1613 110.3616 2.1733 -1118.1579 0.0000 0.0000 2739.6729 6253.1055 302.6045 3513.4326 6288.3883 300.5278 PRESSURE: 1941600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1941600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1941600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1941600 0 0 0 0 0 0 0 0 0 TIMING: 1941600 CPU: 7789.31, 0.0039419/step Wall: 7789.31, 0.0039419/step, 0.611433 hours remaining, 114.421875 MB of memory in use. ENERGY: 1941600 658.4089 1839.5019 1968.0321 121.4317 2.2667 -1095.2874 0.0000 0.0000 2729.6519 6224.0059 301.4977 3494.3540 6257.1608 303.2084 PRESSURE: 1941800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1941800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1941800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1941800 0 0 0 0 0 0 0 0 0 TIMING: 1941800 CPU: 7790.09, 0.00393735/step Wall: 7790.09, 0.00393735/step, 0.610507 hours remaining, 114.421875 MB of memory in use. ENERGY: 1941800 657.7224 1903.4058 1956.0791 115.7014 2.5532 -1114.9679 0.0000 0.0000 2745.8422 6266.3362 303.2859 3520.4940 6298.3073 301.6574 PRESSURE: 1942000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1942000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1942000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1942000 0 0 0 0 0 0 0 0 0 TIMING: 1942000 CPU: 7790.88, 0.00394357/step Wall: 7790.88, 0.00394357/step, 0.611253 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1942000 668.4245 1860.9027 1948.1091 98.4528 2.8645 -1097.7129 0.0000 0.0000 2756.1830 6237.2238 304.4281 3481.0408 6270.0043 302.5670 PRESSURE: 1942200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1942200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1942200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1942200 0 0 0 0 0 0 0 0 0 TIMING: 1942200 CPU: 7791.67, 0.00394467/step Wall: 7791.67, 0.00394467/step, 0.611205 hours remaining, 114.421875 MB of memory in use. ENERGY: 1942200 672.7350 1863.0827 1959.2849 109.3618 1.8314 -1072.7607 0.0000 0.0000 2706.8299 6240.3650 298.9769 3533.5351 6273.0720 303.0215 PRESSURE: 1942400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1942400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1942400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1942400 0 0 0 0 0 0 0 0 0 TIMING: 1942400 CPU: 7792.46, 0.00394464/step Wall: 7792.46, 0.00394464/step, 0.610982 hours remaining, 114.421875 MB of memory in use. ENERGY: 1942400 641.3202 1870.1690 1943.5904 106.0671 2.1349 -1042.7688 0.0000 0.0000 2758.2327 6278.7454 304.6545 3520.5127 6312.9988 301.6176 PRESSURE: 1942600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1942600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1942600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1942600 0 0 0 0 0 0 0 0 0 TIMING: 1942600 CPU: 7793.25, 0.0039444/step Wall: 7793.25, 0.0039444/step, 0.610725 hours remaining, 114.421875 MB of memory in use. ENERGY: 1942600 706.0279 1822.8098 1942.2364 111.4195 2.4719 -1053.8743 0.0000 0.0000 2725.5361 6256.6272 301.0430 3531.0912 6289.2283 303.2116 PRESSURE: 1942800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1942800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1942800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1942800 0 0 0 0 0 0 0 0 0 TIMING: 1942800 CPU: 7794.04, 0.00393726/step Wall: 7794.04, 0.00393726/step, 0.609401 hours remaining, 114.421875 MB of memory in use. ENERGY: 1942800 656.5355 1843.5890 1971.8319 113.9588 3.3628 -1049.6909 0.0000 0.0000 2763.2298 6302.8169 305.2064 3539.5871 6337.6738 303.2441 PRESSURE: 1943000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1943000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1943000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1943000 0 0 0 0 0 0 0 0 0 TIMING: 1943000 CPU: 7794.82, 0.00394093/step Wall: 7794.82, 0.00394093/step, 0.609749 hours remaining, 114.421875 MB of memory in use. ENERGY: 1943000 635.6747 1878.3139 1981.2979 113.0468 1.1708 -1048.0899 0.0000 0.0000 2744.4149 6305.8292 303.1283 3561.4143 6337.3740 303.8902 PRESSURE: 1943200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1943200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1943200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1943200 0 0 0 0 0 0 0 0 0 TIMING: 1943200 CPU: 7795.61, 0.00394282/step Wall: 7795.61, 0.00394282/step, 0.609822 hours remaining, 114.421875 MB of memory in use. ENERGY: 1943200 681.9340 1787.4736 1955.2385 109.7765 2.1345 -1079.3416 0.0000 0.0000 2767.0469 6224.2624 305.6280 3457.2156 6257.7286 303.2695 PRESSURE: 1943400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1943400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1943400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1943400 0 0 0 0 0 0 0 0 0 TIMING: 1943400 CPU: 7796.4, 0.00394141/step Wall: 7796.4, 0.00394141/step, 0.609386 hours remaining, 114.421875 MB of memory in use. ENERGY: 1943400 658.4576 1877.7947 1956.3422 109.1892 1.8818 -1081.2849 0.0000 0.0000 2758.5337 6280.9143 304.6877 3522.3805 6312.2526 303.0356 PRESSURE: 1943600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1943600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1943600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1943600 0 0 0 0 0 0 0 0 0 TIMING: 1943600 CPU: 7797.19, 0.00393771/step Wall: 7797.19, 0.0039377/step, 0.608594 hours remaining, 114.421875 MB of memory in use. ENERGY: 1943600 647.4552 1837.9409 1995.2207 124.4119 1.8160 -1062.7370 0.0000 0.0000 2715.5164 6259.6242 299.9363 3544.1078 6296.4998 303.0836 PRESSURE: 1943800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1943800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1943800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1943800 0 0 0 0 0 0 0 0 0 TIMING: 1943800 CPU: 7797.98, 0.00394286/step Wall: 7797.98, 0.00394287/step, 0.609173 hours remaining, 114.421875 MB of memory in use. ENERGY: 1943800 670.2924 1873.2426 1941.2244 126.2212 3.0545 -1080.9042 0.0000 0.0000 2781.2545 6314.3855 307.1973 3533.1310 6348.4515 303.5700 PRESSURE: 1944000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1944000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1944000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1944000 0 0 0 0 0 0 0 0 0 TIMING: 1944000 CPU: 7798.77, 0.00394375/step Wall: 7798.77, 0.00394375/step, 0.60909 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1944000 677.6535 1849.6750 1943.2161 110.8330 1.8262 -1044.9589 0.0000 0.0000 2709.7556 6248.0005 299.3001 3538.2449 6280.7456 303.6463 PRESSURE: 1944200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1944200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1944200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1944200 0 0 0 0 0 0 0 0 0 TIMING: 1944200 CPU: 7799.56, 0.00394444/step Wall: 7799.56, 0.00394444/step, 0.608977 hours remaining, 114.421875 MB of memory in use. ENERGY: 1944200 672.6139 1828.0887 1979.0963 110.0007 3.1254 -1093.6534 0.0000 0.0000 2729.3986 6228.6703 301.4697 3499.2717 6264.2302 299.0616 LDB: ============= START OF LOAD BALANCING ============== 7802.51 LDB: ============== END OF LOAD BALANCING =============== 7802.51 LDB: =============== DONE WITH MIGRATION ================ 7802.51 LDB: ============= START OF LOAD BALANCING ============== 7802.91 LDB: ============== END OF LOAD BALANCING =============== 7802.91 LDB: =============== DONE WITH MIGRATION ================ 7802.91 PRESSURE: 1944400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1944400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1944400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1944400 0 0 0 0 0 0 0 0 0 TIMING: 1944400 CPU: 7800.35, 0.0039487/step Wall: 7800.35, 0.0039487/step, 0.609416 hours remaining, 114.421875 MB of memory in use. ENERGY: 1944400 679.9575 1796.7459 1948.6964 113.8895 0.8753 -1072.6478 0.0000 0.0000 2752.0288 6219.5457 303.9692 3467.5169 6256.1542 299.8585 PRESSURE: 1944600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1944600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1944600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1944600 0 0 0 0 0 0 0 0 0 TIMING: 1944600 CPU: 7801.13, 0.00393892/step Wall: 7801.13, 0.00393892/step, 0.607688 hours remaining, 114.421875 MB of memory in use. ENERGY: 1944600 652.8705 1900.8958 1929.1635 109.4536 2.0545 -1083.6521 0.0000 0.0000 2749.4697 6260.2555 303.6866 3510.7857 6297.4859 300.5976 PRESSURE: 1944800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1944800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1944800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1944800 0 0 0 0 0 0 0 0 0 TIMING: 1944800 CPU: 7801.92, 0.00394294/step Wall: 7801.92, 0.00394294/step, 0.608089 hours remaining, 114.421875 MB of memory in use. ENERGY: 1944800 647.3346 1848.3986 1935.2222 103.1648 1.8173 -1110.5258 0.0000 0.0000 2763.5763 6188.9880 305.2447 3425.4117 6223.9966 300.2414 PRESSURE: 1945000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1945000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1945000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1945000 0 0 0 0 0 0 0 0 0 TIMING: 1945000 CPU: 7802.71, 0.003943/step Wall: 7802.71, 0.00394299/step, 0.607878 hours remaining, 114.421875 MB of memory in use. ENERGY: 1945000 645.5146 1874.5407 1975.9427 102.1776 1.4363 -1066.1010 0.0000 0.0000 2682.4589 6215.9698 296.2851 3533.5109 6246.2044 299.6813 PRESSURE: 1945200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1945200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1945200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1945200 0 0 0 0 0 0 0 0 0 TIMING: 1945200 CPU: 7803.5, 0.00394286/step Wall: 7803.5, 0.00394287/step, 0.607639 hours remaining, 114.421875 MB of memory in use. ENERGY: 1945200 680.8645 1844.7116 1959.4935 112.8000 2.1371 -1095.8072 0.0000 0.0000 2683.0260 6187.2256 296.3477 3504.1995 6222.4627 298.1461 PRESSURE: 1945400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1945400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1945400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1945400 0 0 0 0 0 0 0 0 0 TIMING: 1945400 CPU: 7804.29, 0.00394245/step Wall: 7804.29, 0.00394245/step, 0.607356 hours remaining, 114.421875 MB of memory in use. ENERGY: 1945400 651.1669 1840.1014 1986.9446 111.0904 0.9216 -1133.4227 0.0000 0.0000 2733.1099 6189.9121 301.8796 3456.8022 6224.6709 300.4754 PRESSURE: 1945600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1945600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1945600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1945600 0 0 0 0 0 0 0 0 0 TIMING: 1945600 CPU: 7805.07, 0.00393672/step Wall: 7805.07, 0.00393672/step, 0.606255 hours remaining, 114.421875 MB of memory in use. ENERGY: 1945600 646.0212 1818.0790 1955.5019 119.7180 -0.2749 -1079.3763 0.0000 0.0000 2702.9235 6162.5923 298.5454 3459.6688 6194.5545 296.6312 PRESSURE: 1945800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1945800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1945800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1945800 0 0 0 0 0 0 0 0 0 TIMING: 1945800 CPU: 7805.86, 0.00394126/step Wall: 7805.86, 0.00394126/step, 0.606735 hours remaining, 114.421875 MB of memory in use. ENERGY: 1945800 678.7723 1828.0221 1987.0056 108.7863 0.4801 -1081.8253 0.0000 0.0000 2655.9601 6177.2012 293.3582 3521.2411 6210.2370 296.8188 PRESSURE: 1946000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1946000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1946000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1946000 0 0 0 0 0 0 0 0 0 TIMING: 1946000 CPU: 7806.65, 0.00394036/step Wall: 7806.65, 0.00394036/step, 0.606378 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1946000 623.3402 1813.4155 1959.3886 119.9465 1.1737 -1042.2536 0.0000 0.0000 2685.8584 6160.8693 296.6605 3475.0109 6193.4127 297.7413 PRESSURE: 1946200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1946200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1946200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1946200 0 0 0 0 0 0 0 0 0 TIMING: 1946200 CPU: 7807.44, 0.00394034/step Wall: 7807.44, 0.00394034/step, 0.606155 hours remaining, 114.421875 MB of memory in use. ENERGY: 1946200 669.5525 1870.7843 1987.1813 96.7873 0.5922 -1049.3883 0.0000 0.0000 2598.2727 6173.7820 286.9865 3575.5093 6201.5713 296.7989 PRESSURE: 1946400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1946400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1946400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1946400 0 0 0 0 0 0 0 0 0 TIMING: 1946400 CPU: 7808.23, 0.00393557/step Wall: 7808.23, 0.00393557/step, 0.605203 hours remaining, 114.421875 MB of memory in use. ENERGY: 1946400 723.3105 1770.5027 1941.0810 114.0807 -0.2626 -1105.7164 0.0000 0.0000 2712.4512 6155.4471 299.5978 3442.9959 6188.2994 295.3961 PRESSURE: 1946600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1946600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1946600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1946600 0 0 0 0 0 0 0 0 0 TIMING: 1946600 CPU: 7809.01, 0.0039402/step Wall: 7809.01, 0.0039402/step, 0.605696 hours remaining, 114.421875 MB of memory in use. ENERGY: 1946600 630.8391 1835.6649 1954.8658 104.5151 0.8246 -1080.4652 0.0000 0.0000 2657.2960 6103.5403 293.5057 3446.2443 6135.6660 293.0293 PRESSURE: 1946800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1946800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1946800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1946800 0 0 0 0 0 0 0 0 0 TIMING: 1946800 CPU: 7809.8, 0.00394017/step Wall: 7809.8, 0.00394017/step, 0.605473 hours remaining, 114.421875 MB of memory in use. ENERGY: 1946800 658.7520 1790.7866 1943.4443 106.0552 0.8123 -1064.6281 0.0000 0.0000 2693.5134 6128.7358 297.5061 3435.2224 6162.6443 294.0424 PRESSURE: 1947000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1947000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1947000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1947000 0 0 0 0 0 0 0 0 0 TIMING: 1947000 CPU: 7810.59, 0.00394155/step Wall: 7810.59, 0.00394155/step, 0.605466 hours remaining, 114.421875 MB of memory in use. ENERGY: 1947000 661.5391 1844.5873 1921.5430 103.4030 0.7973 -1041.1080 0.0000 0.0000 2630.6917 6121.4535 290.5672 3490.7618 6150.8014 293.6799 PRESSURE: 1947200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1947200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1947200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1947200 0 0 0 0 0 0 0 0 0 TIMING: 1947200 CPU: 7811.38, 0.00394446/step Wall: 7811.38, 0.00394446/step, 0.605695 hours remaining, 114.421875 MB of memory in use. ENERGY: 1947200 628.5271 1841.9231 1953.9703 105.4215 1.2786 -1056.7812 0.0000 0.0000 2666.1235 6140.4630 294.4808 3474.3395 6172.3457 294.9509 PRESSURE: 1947400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1947400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1947400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1947400 0 0 0 0 0 0 0 0 0 TIMING: 1947400 CPU: 7812.17, 0.00393732/step Wall: 7812.17, 0.00393732/step, 0.604379 hours remaining, 114.421875 MB of memory in use. ENERGY: 1947400 628.8305 1897.8727 1912.8647 103.6480 0.0638 -1030.8707 0.0000 0.0000 2625.9189 6138.3279 290.0401 3512.4090 6168.1522 294.5407 PRESSURE: 1947600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1947600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1947600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1947600 0 0 0 0 0 0 0 0 0 TIMING: 1947600 CPU: 7812.96, 0.00394292/step Wall: 7812.96, 0.00394292/step, 0.605019 hours remaining, 114.421875 MB of memory in use. ENERGY: 1947600 657.8622 1845.9670 1937.9642 110.3664 1.0626 -1092.3712 0.0000 0.0000 2669.5651 6130.4163 294.8609 3460.8512 6162.3236 293.6848 PRESSURE: 1947800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1947800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1947800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1947800 0 0 0 0 0 0 0 0 0 TIMING: 1947800 CPU: 7813.74, 0.00394281/step Wall: 7813.74, 0.0039428/step, 0.604782 hours remaining, 114.421875 MB of memory in use. ENERGY: 1947800 680.5295 1851.2607 1926.3147 105.9792 1.9654 -1098.1254 0.0000 0.0000 2727.1936 6195.1177 301.2261 3467.9241 6230.2267 295.6794 PRESSURE: 1948000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1948000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1948000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1948000 0 0 0 0 0 0 0 0 0 TIMING: 1948000 CPU: 7814.53, 0.00394291/step Wall: 7814.53, 0.00394291/step, 0.60458 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1948000 662.4792 1800.5019 1938.9849 106.3051 1.0673 -1035.0662 0.0000 0.0000 2719.3114 6193.5835 300.3555 3474.2722 6225.1066 299.0268 PRESSURE: 1948200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1948200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1948200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1948200 0 0 0 0 0 0 0 0 0 TIMING: 1948200 CPU: 7815.32, 0.00394389/step Wall: 7815.32, 0.00394389/step, 0.604511 hours remaining, 114.421875 MB of memory in use. ENERGY: 1948200 626.8126 1804.0360 1949.1158 104.7601 2.4819 -1023.1480 0.0000 0.0000 2747.1671 6211.2254 303.4323 3464.0583 6243.2078 299.2590 LDB: ============= START OF LOAD BALANCING ============== 7818.28 LDB: ============== END OF LOAD BALANCING =============== 7818.28 LDB: =============== DONE WITH MIGRATION ================ 7818.28 LDB: ============= START OF LOAD BALANCING ============== 7818.67 LDB: ============== END OF LOAD BALANCING =============== 7818.67 LDB: =============== DONE WITH MIGRATION ================ 7818.67 PRESSURE: 1948400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1948400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1948400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1948400 0 0 0 0 0 0 0 0 0 TIMING: 1948400 CPU: 7816.11, 0.00394389/step Wall: 7816.11, 0.00394389/step, 0.604292 hours remaining, 114.421875 MB of memory in use. ENERGY: 1948400 632.6779 1836.6193 1983.3146 114.6931 -0.6270 -1043.9638 0.0000 0.0000 2709.6363 6232.3504 299.2869 3522.7141 6264.8856 299.6447 PRESSURE: 1948600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1948600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1948600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1948600 0 0 0 0 0 0 0 0 0 TIMING: 1948600 CPU: 7816.9, 0.00394249/step Wall: 7816.9, 0.00394249/step, 0.603858 hours remaining, 114.421875 MB of memory in use. ENERGY: 1948600 681.6917 1816.3509 1983.2973 105.2011 1.3226 -1092.5734 0.0000 0.0000 2703.9061 6199.1963 298.6540 3495.2902 6231.2988 300.0551 PRESSURE: 1948800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1948800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1948800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1948800 0 0 0 0 0 0 0 0 0 TIMING: 1948800 CPU: 7817.69, 0.00394257/step Wall: 7817.69, 0.00394257/step, 0.603651 hours remaining, 114.421875 MB of memory in use. ENERGY: 1948800 629.1022 1867.9765 1955.3667 100.9812 1.2028 -1045.3060 0.0000 0.0000 2708.6063 6217.9297 299.1731 3509.3235 6251.0036 299.9076 PRESSURE: 1949000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1949000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1949000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1949000 0 0 0 0 0 0 0 0 0 TIMING: 1949000 CPU: 7818.48, 0.00394825/step Wall: 7818.48, 0.00394825/step, 0.604301 hours remaining, 114.421875 MB of memory in use. ENERGY: 1949000 658.6696 1876.9095 1969.2118 104.8747 1.2130 -1080.1496 0.0000 0.0000 2708.8040 6239.5331 299.1949 3530.7291 6271.1970 299.3604 PRESSURE: 1949200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1949200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1949200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1949200 0 0 0 0 0 0 0 0 0 TIMING: 1949200 CPU: 7819.26, 0.00394024/step Wall: 7819.26, 0.00394024/step, 0.602857 hours remaining, 114.421875 MB of memory in use. ENERGY: 1949200 636.5921 1832.4862 1954.6232 109.9324 1.7221 -1068.9275 0.0000 0.0000 2708.1803 6174.6089 299.1261 3466.4286 6204.4640 299.3977 PRESSURE: 1949400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1949400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1949400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1949400 0 0 0 0 0 0 0 0 0 TIMING: 1949400 CPU: 7820.05, 0.00394265/step Wall: 7820.05, 0.00394265/step, 0.603006 hours remaining, 114.421875 MB of memory in use. ENERGY: 1949400 618.1660 1808.0442 1992.9949 109.7200 1.7871 -1073.1637 0.0000 0.0000 2771.0338 6228.5823 306.0684 3457.5484 6264.9134 299.3255 PRESSURE: 1949600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1949600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1949600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1949600 0 0 0 0 0 0 0 0 0 TIMING: 1949600 CPU: 7820.84, 0.00394269/step Wall: 7820.84, 0.00394269/step, 0.602794 hours remaining, 114.421875 MB of memory in use. ENERGY: 1949600 660.2520 1865.7196 1973.8350 115.4401 1.5504 -1076.4187 0.0000 0.0000 2690.7647 6231.1431 297.2025 3540.3784 6261.0914 301.1546 PRESSURE: 1949800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1949800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1949800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1949800 0 0 0 0 0 0 0 0 0 TIMING: 1949800 CPU: 7821.63, 0.00394442/step Wall: 7821.63, 0.00394442/step, 0.602838 hours remaining, 114.421875 MB of memory in use. ENERGY: 1949800 685.1677 1830.4074 1952.4046 101.6114 0.5830 -1110.2814 0.0000 0.0000 2689.8623 6149.7549 297.1028 3459.8926 6180.7683 298.5060 PRESSURE: 1950000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1950000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1950000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1950000 0 0 0 0 0 0 0 0 0 TIMING: 1950000 CPU: 7822.42, 0.00394295/step Wall: 7822.42, 0.00394295/step, 0.602396 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1950000 656.7062 1855.9358 1979.0277 107.4818 -1.1754 -1076.7526 0.0000 0.0000 2710.3256 6231.5491 299.3630 3521.2235 6264.6816 297.7100 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1950000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1950000 WRITING COORDINATES TO RESTART FILE AT STEP 1950000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1950000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1950200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1950200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1950200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1950200 0 0 0 0 0 0 0 0 0 TIMING: 1950200 CPU: 7823.25, 0.00415242/step Wall: 7823.25, 0.00415242/step, 0.634167 hours remaining, 114.421875 MB of memory in use. ENERGY: 1950200 662.7258 1879.4145 1975.5114 108.8570 2.8685 -1095.8591 0.0000 0.0000 2685.2532 6218.7712 296.5937 3533.5180 6249.3483 299.3271 PRESSURE: 1950400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1950400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1950400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1950400 0 0 0 0 0 0 0 0 0 TIMING: 1950400 CPU: 7824.04, 0.00394232/step Wall: 7824.04, 0.00394232/step, 0.601861 hours remaining, 114.421875 MB of memory in use. ENERGY: 1950400 659.5297 1883.9352 1958.4790 120.3170 1.9047 -1104.6979 0.0000 0.0000 2669.7840 6189.2516 294.8851 3519.4676 6220.8277 300.2554 PRESSURE: 1950600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1950600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1950600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1950600 0 0 0 0 0 0 0 0 0 TIMING: 1950600 CPU: 7824.83, 0.00394371/step Wall: 7824.83, 0.00394371/step, 0.601853 hours remaining, 114.421875 MB of memory in use. ENERGY: 1950600 661.6297 1818.4976 1968.9110 111.3974 0.8119 -1096.4540 0.0000 0.0000 2700.1172 6164.9109 298.2355 3464.7936 6200.0826 298.2908 PRESSURE: 1950800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1950800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1950800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1950800 0 0 0 0 0 0 0 0 0 TIMING: 1950800 CPU: 7825.62, 0.00394271/step Wall: 7825.62, 0.00394271/step, 0.601482 hours remaining, 114.421875 MB of memory in use. ENERGY: 1950800 643.3293 1808.9767 1946.3674 115.7003 1.2350 -1097.9137 0.0000 0.0000 2688.3529 6106.0480 296.9361 3417.6951 6139.4950 295.9739 PRESSURE: 1951000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1951000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1951000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1951000 0 0 0 0 0 0 0 0 0 TIMING: 1951000 CPU: 7826.4, 0.00394435/step Wall: 7826.4, 0.00394435/step, 0.601513 hours remaining, 114.421875 MB of memory in use. ENERGY: 1951000 633.2387 1800.0254 1965.6881 123.8811 1.6367 -1079.7310 0.0000 0.0000 2692.5249 6137.2639 297.3969 3444.7390 6170.0288 296.2614 PRESSURE: 1951200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1951200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1951200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1951200 0 0 0 0 0 0 0 0 0 TIMING: 1951200 CPU: 7827.19, 0.00393926/step Wall: 7827.19, 0.00393926/step, 0.600518 hours remaining, 114.421875 MB of memory in use. ENERGY: 1951200 660.0358 1810.7192 1954.9923 107.3590 2.5481 -1102.7186 0.0000 0.0000 2732.4456 6165.3815 301.8062 3432.9359 6200.4198 297.0209 PRESSURE: 1951400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1951400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1951400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1951400 0 0 0 0 0 0 0 0 0 TIMING: 1951400 CPU: 7827.98, 0.00394275/step Wall: 7827.98, 0.00394275/step, 0.600831 hours remaining, 114.421875 MB of memory in use. ENERGY: 1951400 663.0734 1841.0915 1951.9078 108.3251 0.4179 -1116.3588 0.0000 0.0000 2701.6389 6150.0959 298.4035 3448.4570 6184.1747 298.4414 PRESSURE: 1951600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1951600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1951600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1951600 0 0 0 0 0 0 0 0 0 TIMING: 1951600 CPU: 7828.77, 0.00394544/step Wall: 7828.77, 0.00394544/step, 0.601023 hours remaining, 114.421875 MB of memory in use. ENERGY: 1951600 631.2621 1792.3582 1970.0713 111.1444 1.6582 -1089.5168 0.0000 0.0000 2721.0915 6138.0689 300.5521 3416.9774 6171.7350 298.0157 PRESSURE: 1951800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1951800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1951800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1951800 0 0 0 0 0 0 0 0 0 TIMING: 1951800 CPU: 7829.56, 0.00394361/step Wall: 7829.56, 0.00394361/step, 0.600524 hours remaining, 114.421875 MB of memory in use. ENERGY: 1951800 691.4582 1895.3187 1973.6066 112.3859 0.4089 -1113.3135 0.0000 0.0000 2692.0092 6251.8740 297.3399 3559.8648 6283.8547 300.2159 PRESSURE: 1952000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1952000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1952000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1952000 0 0 0 0 0 0 0 0 0 TIMING: 1952000 CPU: 7830.35, 0.003943/step Wall: 7830.35, 0.003943/step, 0.600211 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1952000 702.5198 1875.6154 1921.9136 122.2692 0.8302 -1108.5283 0.0000 0.0000 2716.6550 6231.2748 300.0621 3514.6198 6266.6430 302.0660 PRESSURE: 1952200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1952200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1952200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1952200 0 0 0 0 0 0 0 0 0 TIMING: 1952200 CPU: 7831.14, 0.00393957/step Wall: 7831.14, 0.00393957/step, 0.599472 hours remaining, 114.421875 MB of memory in use. ENERGY: 1952200 687.9506 1818.9825 1965.1559 113.4935 0.6192 -1097.8805 0.0000 0.0000 2691.6008 6179.9220 297.2948 3488.3212 6211.2020 299.8815 LDB: ============= START OF LOAD BALANCING ============== 7834.09 LDB: ============== END OF LOAD BALANCING =============== 7834.09 LDB: =============== DONE WITH MIGRATION ================ 7834.09 LDB: ============= START OF LOAD BALANCING ============== 7834.49 LDB: ============== END OF LOAD BALANCING =============== 7834.49 LDB: =============== DONE WITH MIGRATION ================ 7834.49 PRESSURE: 1952400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1952400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1952400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1952400 0 0 0 0 0 0 0 0 0 TIMING: 1952400 CPU: 7831.92, 0.00394744/step Wall: 7831.92, 0.00394744/step, 0.60045 hours remaining, 114.421875 MB of memory in use. ENERGY: 1952400 672.5697 1890.7632 1965.2520 119.3042 1.2503 -1083.8149 0.0000 0.0000 2662.4654 6227.7900 294.0767 3565.3246 6258.1299 298.4482 PRESSURE: 1952600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1952600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1952600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1952600 0 0 0 0 0 0 0 0 0 TIMING: 1952600 CPU: 7832.71, 0.00394436/step Wall: 7832.71, 0.00394436/step, 0.599762 hours remaining, 114.421875 MB of memory in use. ENERGY: 1952600 674.2991 1914.7599 1948.2275 112.2523 2.3105 -1100.9269 0.0000 0.0000 2722.7068 6273.6291 300.7305 3550.9224 6305.8112 302.8775 PRESSURE: 1952800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1952800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1952800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1952800 0 0 0 0 0 0 0 0 0 TIMING: 1952800 CPU: 7833.5, 0.00394372/step Wall: 7833.5, 0.00394372/step, 0.599445 hours remaining, 114.421875 MB of memory in use. ENERGY: 1952800 644.9725 1856.4152 1996.4192 102.9296 0.3027 -1059.6431 0.0000 0.0000 2734.6431 6276.0393 302.0490 3541.3962 6308.3818 301.7240 PRESSURE: 1953000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1953000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1953000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1953000 0 0 0 0 0 0 0 0 0 TIMING: 1953000 CPU: 7834.29, 0.0039406/step Wall: 7834.29, 0.0039406/step, 0.598752 hours remaining, 114.421875 MB of memory in use. ENERGY: 1953000 685.7550 1858.9604 1963.3036 115.1214 1.2148 -1070.8406 0.0000 0.0000 2717.9985 6271.5130 300.2105 3553.5146 6302.4456 303.2008 PRESSURE: 1953200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1953200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1953200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1953200 0 0 0 0 0 0 0 0 0 TIMING: 1953200 CPU: 7835.08, 0.00394531/step Wall: 7835.08, 0.00394531/step, 0.599249 hours remaining, 114.421875 MB of memory in use. ENERGY: 1953200 676.0172 1887.1051 1953.9952 106.6117 0.6212 -1083.0332 0.0000 0.0000 2750.6898 6292.0069 303.8214 3541.3171 6325.1612 303.6818 PRESSURE: 1953400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1953400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1953400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1953400 0 0 0 0 0 0 0 0 0 TIMING: 1953400 CPU: 7835.87, 0.00394456/step Wall: 7835.87, 0.00394456/step, 0.598916 hours remaining, 114.421875 MB of memory in use. ENERGY: 1953400 682.4794 1916.8628 1945.1573 112.3987 1.3923 -1074.4719 0.0000 0.0000 2734.8367 6318.6552 302.0703 3583.8185 6352.7180 306.1243 PRESSURE: 1953600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1953600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1953600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1953600 0 0 0 0 0 0 0 0 0 TIMING: 1953600 CPU: 7836.66, 0.00394537/step Wall: 7836.66, 0.00394537/step, 0.598819 hours remaining, 114.421875 MB of memory in use. ENERGY: 1953600 686.6154 1933.4327 1961.4988 108.0248 2.6221 -1078.1831 0.0000 0.0000 2690.7553 6304.7660 297.2014 3614.0106 6335.1365 307.4761 PRESSURE: 1953800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1953800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1953800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1953800 0 0 0 0 0 0 0 0 0 TIMING: 1953800 CPU: 7837.45, 0.00394379/step Wall: 7837.45, 0.00394379/step, 0.59836 hours remaining, 114.421875 MB of memory in use. ENERGY: 1953800 656.1612 1901.7832 1944.2339 116.1428 3.1716 -1090.4635 0.0000 0.0000 2729.3800 6260.4093 301.4676 3531.0293 6293.1549 302.9922 PRESSURE: 1954000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1954000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1954000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1954000 0 0 0 0 0 0 0 0 0 TIMING: 1954000 CPU: 7838.23, 0.00393967/step Wall: 7838.23, 0.00393967/step, 0.597516 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1954000 637.1137 1867.2906 1951.1726 103.1510 1.7439 -1047.6852 0.0000 0.0000 2775.0684 6287.8550 306.5140 3512.7866 6324.5782 301.7329 PRESSURE: 1954200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1954200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1954200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1954200 0 0 0 0 0 0 0 0 0 TIMING: 1954200 CPU: 7839.02, 0.00394446/step Wall: 7839.02, 0.00394446/step, 0.598025 hours remaining, 114.421875 MB of memory in use. ENERGY: 1954200 693.7559 1831.2937 1930.9812 112.5200 2.3346 -1055.8722 0.0000 0.0000 2764.8108 6279.8240 305.3811 3515.0132 6314.4278 304.1293 PRESSURE: 1954400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1954400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1954400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1954400 0 0 0 0 0 0 0 0 0 TIMING: 1954400 CPU: 7839.81, 0.0039429/step Wall: 7839.81, 0.0039429/step, 0.597569 hours remaining, 114.421875 MB of memory in use. ENERGY: 1954400 634.3939 1863.5849 1955.1244 111.4171 2.1037 -1074.3129 0.0000 0.0000 2761.6076 6253.9187 305.0273 3492.3110 6287.3677 302.7602 PRESSURE: 1954600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1954600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1954600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1954600 0 0 0 0 0 0 0 0 0 TIMING: 1954600 CPU: 7840.6, 0.00394438/step Wall: 7840.6, 0.00394438/step, 0.597573 hours remaining, 114.421875 MB of memory in use. ENERGY: 1954600 633.3601 1824.1641 1974.0374 101.3790 1.8246 -1109.3616 0.0000 0.0000 2747.1659 6172.5695 303.4321 3425.4036 6209.6396 299.1980 PRESSURE: 1954800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1954800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1954800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1954800 0 0 0 0 0 0 0 0 0 TIMING: 1954800 CPU: 7841.39, 0.00394476/step Wall: 7841.39, 0.00394476/step, 0.597412 hours remaining, 114.421875 MB of memory in use. ENERGY: 1954800 614.6564 1836.3802 1930.5327 113.6988 2.0329 -1055.3029 0.0000 0.0000 2738.7424 6180.7406 302.5017 3441.9982 6215.3915 300.0935 PRESSURE: 1955000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1955000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1955000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1955000 0 0 0 0 0 0 0 0 0 TIMING: 1955000 CPU: 7842.18, 0.00393966/step Wall: 7842.18, 0.00393966/step, 0.596421 hours remaining, 114.421875 MB of memory in use. ENERGY: 1955000 672.0127 1862.6686 1967.0122 112.9668 1.8662 -1085.9667 0.0000 0.0000 2687.2290 6217.7888 296.8119 3530.5598 6250.3147 300.4524 PRESSURE: 1955200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1955200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1955200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1955200 0 0 0 0 0 0 0 0 0 TIMING: 1955200 CPU: 7842.97, 0.00394268/step Wall: 7842.97, 0.00394268/step, 0.596658 hours remaining, 114.421875 MB of memory in use. ENERGY: 1955200 626.7360 1842.2450 1948.7212 105.2793 1.8481 -1063.1467 0.0000 0.0000 2751.0561 6212.7389 303.8618 3461.6828 6249.5720 300.8736 PRESSURE: 1955400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1955400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1955400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1955400 0 0 0 0 0 0 0 0 0 TIMING: 1955400 CPU: 7843.75, 0.00394428/step Wall: 7843.75, 0.00394428/step, 0.596683 hours remaining, 114.421875 MB of memory in use. ENERGY: 1955400 645.5553 1861.9623 1950.7818 107.9337 0.1790 -1100.7435 0.0000 0.0000 2748.7583 6214.4270 303.6080 3465.6687 6246.6075 299.7326 PRESSURE: 1955600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1955600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1955600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1955600 0 0 0 0 0 0 0 0 0 TIMING: 1955600 CPU: 7844.54, 0.00394393/step Wall: 7844.54, 0.00394393/step, 0.596411 hours remaining, 114.421875 MB of memory in use. ENERGY: 1955600 658.0810 1817.3014 1946.2501 105.8845 1.1982 -1088.8761 0.0000 0.0000 2774.1989 6214.0380 306.4180 3439.8391 6248.7421 299.7799 PRESSURE: 1955800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1955800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1955800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1955800 0 0 0 0 0 0 0 0 0 TIMING: 1955800 CPU: 7845.33, 0.00395286/step Wall: 7845.33, 0.00395286/step, 0.597541 hours remaining, 114.421875 MB of memory in use. ENERGY: 1955800 674.3207 1896.0173 1968.4014 104.7910 2.0748 -1100.0559 0.0000 0.0000 2736.8103 6282.3596 302.2883 3545.5493 6314.5713 302.9191 PRESSURE: 1956000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1956000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1956000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1956000 0 0 0 0 0 0 0 0 0 TIMING: 1956000 CPU: 7846.12, 0.00394255/step Wall: 7846.12, 0.00394255/step, 0.595763 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1956000 643.6393 1857.8550 1958.7216 118.9331 1.6695 -1109.2619 0.0000 0.0000 2778.2829 6249.8395 306.8691 3471.5567 6286.8277 303.1124 PRESSURE: 1956200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1956200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1956200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1956200 0 0 0 0 0 0 0 0 0 TIMING: 1956200 CPU: 7846.91, 0.00394624/step Wall: 7846.91, 0.00394624/step, 0.596101 hours remaining, 114.421875 MB of memory in use. ENERGY: 1956200 665.6831 1843.9866 1980.3962 108.7137 1.6914 -1073.5217 0.0000 0.0000 2669.7142 6196.6634 294.8774 3526.9493 6232.0748 298.2408 LDB: ============= START OF LOAD BALANCING ============== 7849.87 LDB: ============== END OF LOAD BALANCING =============== 7849.87 LDB: =============== DONE WITH MIGRATION ================ 7849.87 LDB: ============= START OF LOAD BALANCING ============== 7850.27 LDB: ============== END OF LOAD BALANCING =============== 7850.27 LDB: =============== DONE WITH MIGRATION ================ 7850.27 PRESSURE: 1956400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1956400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1956400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1956400 0 0 0 0 0 0 0 0 0 TIMING: 1956400 CPU: 7847.7, 0.00394668/step Wall: 7847.7, 0.00394668/step, 0.595948 hours remaining, 114.421875 MB of memory in use. ENERGY: 1956400 659.5639 1829.4477 1967.6585 106.1385 1.8229 -1090.8297 0.0000 0.0000 2714.5474 6188.3492 299.8293 3473.8017 6220.0881 296.9973 PRESSURE: 1956600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1956600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1956600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1956600 0 0 0 0 0 0 0 0 0 TIMING: 1956600 CPU: 7848.49, 0.00394152/step Wall: 7848.49, 0.00394152/step, 0.594951 hours remaining, 114.421875 MB of memory in use. ENERGY: 1956600 646.7889 1898.9452 1965.3227 97.7605 1.6237 -1093.7393 0.0000 0.0000 2680.2492 6196.9510 296.0410 3516.7018 6229.6407 299.0031 PRESSURE: 1956800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1956800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1956800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1956800 0 0 0 0 0 0 0 0 0 TIMING: 1956800 CPU: 7849.28, 0.00393739/step Wall: 7849.28, 0.00393739/step, 0.594108 hours remaining, 114.421875 MB of memory in use. ENERGY: 1956800 638.6177 1835.9761 1944.1846 108.0332 1.2514 -1082.0763 0.0000 0.0000 2710.8193 6156.8060 299.4175 3445.9866 6189.3218 297.1739 PRESSURE: 1957000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1957000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1957000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1957000 0 0 0 0 0 0 0 0 0 TIMING: 1957000 CPU: 7850.07, 0.00394336/step Wall: 7850.07, 0.00394336/step, 0.59479 hours remaining, 114.421875 MB of memory in use. ENERGY: 1957000 659.9069 1829.0270 1944.4400 105.7225 1.2669 -1077.1036 0.0000 0.0000 2688.9664 6152.2261 297.0038 3463.2597 6185.5746 297.1060 PRESSURE: 1957200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1957200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1957200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1957200 0 0 0 0 0 0 0 0 0 TIMING: 1957200 CPU: 7850.85, 0.00394268/step Wall: 7850.85, 0.00394268/step, 0.594469 hours remaining, 114.421875 MB of memory in use. ENERGY: 1957200 649.3051 1821.2854 1942.8588 108.7065 2.3293 -1065.3106 0.0000 0.0000 2715.5052 6174.6796 299.9351 3459.1745 6209.5863 296.5074 PRESSURE: 1957400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1957400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1957400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1957400 0 0 0 0 0 0 0 0 0 TIMING: 1957400 CPU: 7851.64, 0.003943/step Wall: 7851.64, 0.003943/step, 0.594298 hours remaining, 114.421875 MB of memory in use. ENERGY: 1957400 668.7743 1877.4760 1928.5665 105.3742 2.3875 -1038.1690 0.0000 0.0000 2659.3902 6203.7996 293.7371 3544.4095 6238.4560 296.7407 PRESSURE: 1957600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1957600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1957600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1957600 0 0 0 0 0 0 0 0 0 TIMING: 1957600 CPU: 7852.43, 0.00394218/step Wall: 7852.43, 0.00394218/step, 0.593956 hours remaining, 114.421875 MB of memory in use. ENERGY: 1957600 681.4847 1826.8782 1928.5698 114.0706 2.2158 -1068.4923 0.0000 0.0000 2711.0653 6195.7920 299.4447 3484.7267 6229.2699 297.6726 PRESSURE: 1957800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1957800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1957800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1957800 0 0 0 0 0 0 0 0 0 TIMING: 1957800 CPU: 7853.22, 0.00393665/step Wall: 7853.22, 0.00393665/step, 0.592903 hours remaining, 114.421875 MB of memory in use. ENERGY: 1957800 628.4138 1854.1240 1946.6223 111.7337 1.7274 -1073.3564 0.0000 0.0000 2726.8825 6196.1473 301.1918 3469.2648 6226.8299 299.2323 PRESSURE: 1958000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1958000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1958000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1958000 0 0 0 0 0 0 0 0 0 TIMING: 1958000 CPU: 7854.01, 0.00394079/step Wall: 7854.01, 0.00394079/step, 0.593308 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1958000 643.2386 1845.5566 1950.3116 109.0444 2.6246 -1079.7333 0.0000 0.0000 2646.9737 6118.0162 292.3656 3471.0426 6149.2711 297.6808 PRESSURE: 1958200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1958200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1958200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1958200 0 0 0 0 0 0 0 0 0 TIMING: 1958200 CPU: 7854.79, 0.00394063/step Wall: 7854.79, 0.00394063/step, 0.593066 hours remaining, 114.421875 MB of memory in use. ENERGY: 1958200 665.9431 1828.2366 1968.5453 100.9941 3.0189 -1089.0942 0.0000 0.0000 2656.5444 6134.1881 293.4227 3477.6437 6164.9591 295.8475 PRESSURE: 1958400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1958400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1958400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1958400 0 0 0 0 0 0 0 0 0 TIMING: 1958400 CPU: 7855.58, 0.00394227/step Wall: 7855.58, 0.00394227/step, 0.593093 hours remaining, 114.421875 MB of memory in use. ENERGY: 1958400 620.8550 1858.2443 1916.6123 99.5467 2.9741 -1066.7780 0.0000 0.0000 2703.8207 6135.2751 298.6445 3431.4544 6166.0920 295.6598 PRESSURE: 1958600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1958600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1958600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1958600 0 0 0 0 0 0 0 0 0 TIMING: 1958600 CPU: 7856.37, 0.00394214/step Wall: 7856.37, 0.00394214/step, 0.592854 hours remaining, 114.421875 MB of memory in use. ENERGY: 1958600 691.3702 1830.5633 1948.7978 106.3173 3.5374 -1110.1797 0.0000 0.0000 2678.7425 6149.1488 295.8746 3470.4063 6182.4819 297.7110 PRESSURE: 1958800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1958800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1958800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1958800 0 0 0 0 0 0 0 0 0 TIMING: 1958800 CPU: 7857.16, 0.0039365/step Wall: 7857.16, 0.0039365/step, 0.591787 hours remaining, 114.421875 MB of memory in use. ENERGY: 1958800 658.4289 1827.1703 1958.4705 116.2479 2.6072 -1071.1700 0.0000 0.0000 2668.5261 6160.2810 294.7461 3491.7548 6191.7447 296.1558 PRESSURE: 1959000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1959000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1959000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1959000 0 0 0 0 0 0 0 0 0 TIMING: 1959000 CPU: 7857.95, 0.00394379/step Wall: 7857.95, 0.00394379/step, 0.592663 hours remaining, 114.421875 MB of memory in use. ENERGY: 1959000 636.5253 1817.1067 1966.8548 117.6835 1.9923 -1084.2569 0.0000 0.0000 2690.9518 6146.8575 297.2231 3455.9056 6178.7004 296.6312 PRESSURE: 1959200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1959200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1959200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1959200 0 0 0 0 0 0 0 0 0 TIMING: 1959200 CPU: 7858.74, 0.00394924/step Wall: 7858.74, 0.00394924/step, 0.593263 hours remaining, 114.421875 MB of memory in use. ENERGY: 1959200 644.2986 1818.9173 1923.6501 111.0716 1.5813 -1062.1124 0.0000 0.0000 2711.5945 6149.0009 299.5032 3437.4065 6183.6916 298.3389 PRESSURE: 1959400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1959400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1959400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1959400 0 0 0 0 0 0 0 0 0 TIMING: 1959400 CPU: 7859.53, 0.00394216/step Wall: 7859.53, 0.00394216/step, 0.591981 hours remaining, 114.421875 MB of memory in use. ENERGY: 1959400 679.2594 1840.9369 1949.8433 102.2096 1.9399 -1070.5175 0.0000 0.0000 2693.2265 6196.8981 297.4744 3503.6717 6229.3811 297.2414 PRESSURE: 1959600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1959600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1959600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1959600 0 0 0 0 0 0 0 0 0 TIMING: 1959600 CPU: 7860.31, 0.00393659/step Wall: 7860.31, 0.00393659/step, 0.590926 hours remaining, 114.421875 MB of memory in use. ENERGY: 1959600 656.2383 1885.0053 1916.4105 101.1353 2.7204 -1069.7323 0.0000 0.0000 2710.1128 6201.8904 299.3395 3491.7775 6235.7601 298.9764 PRESSURE: 1959800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1959800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1959800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1959800 0 0 0 0 0 0 0 0 0 TIMING: 1959800 CPU: 7861.1, 0.00394235/step Wall: 7861.1, 0.00394236/step, 0.591573 hours remaining, 114.421875 MB of memory in use. ENERGY: 1959800 644.4300 1798.8240 1980.8392 104.0348 1.3148 -1081.4662 0.0000 0.0000 2714.6614 6162.6381 299.8419 3447.9767 6195.6484 296.7859 PRESSURE: 1960000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1960000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1960000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1960000 0 0 0 0 0 0 0 0 0 TIMING: 1960000 CPU: 7861.89, 0.00394138/step Wall: 7861.89, 0.00394138/step, 0.591207 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1960000 625.4833 1840.3161 1973.3087 110.8484 2.2568 -1044.7979 0.0000 0.0000 2642.2641 6149.6795 291.8454 3507.4154 6183.9910 297.3178 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1960000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1960000 WRITING COORDINATES TO RESTART FILE AT STEP 1960000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1960000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1960200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1960200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1960200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1960200 0 0 0 0 0 0 0 0 0 TIMING: 1960200 CPU: 7862.72, 0.00414436/step Wall: 7862.72, 0.00414436/step, 0.621423 hours remaining, 114.421875 MB of memory in use. ENERGY: 1960200 638.9503 1835.8506 1972.2172 103.4706 1.0834 -1088.2170 0.0000 0.0000 2649.2046 6112.5598 292.6120 3463.3552 6147.4141 294.5906 LDB: ============= START OF LOAD BALANCING ============== 7865.68 LDB: ============== END OF LOAD BALANCING =============== 7865.68 LDB: =============== DONE WITH MIGRATION ================ 7865.68 LDB: ============= START OF LOAD BALANCING ============== 7866.07 LDB: ============== END OF LOAD BALANCING =============== 7866.07 LDB: =============== DONE WITH MIGRATION ================ 7866.07 PRESSURE: 1960400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1960400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1960400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1960400 0 0 0 0 0 0 0 0 0 TIMING: 1960400 CPU: 7863.51, 0.00394855/step Wall: 7863.51, 0.00394855/step, 0.591845 hours remaining, 114.421875 MB of memory in use. ENERGY: 1960400 670.6599 1800.6490 1960.0966 103.7077 2.2994 -1104.6615 0.0000 0.0000 2696.3956 6129.1466 297.8244 3432.7510 6161.8470 294.3978 PRESSURE: 1960600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1960600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1960600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1960600 0 0 0 0 0 0 0 0 0 TIMING: 1960600 CPU: 7864.3, 0.00393732/step Wall: 7864.3, 0.00393732/step, 0.589942 hours remaining, 114.421875 MB of memory in use. ENERGY: 1960600 604.8662 1840.9261 1956.2476 116.0152 2.1932 -1080.8260 0.0000 0.0000 2685.7733 6125.1958 296.6511 3439.4225 6159.4976 296.5748 PRESSURE: 1960800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1960800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1960800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1960800 0 0 0 0 0 0 0 0 0 TIMING: 1960800 CPU: 7865.08, 0.00394192/step Wall: 7865.08, 0.00394192/step, 0.590413 hours remaining, 114.421875 MB of memory in use. ENERGY: 1960800 640.0662 1840.5590 1938.3371 110.8206 0.0080 -1078.9167 0.0000 0.0000 2694.1308 6145.0048 297.5742 3450.8741 6176.7846 295.1838 PRESSURE: 1961000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1961000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1961000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1961000 0 0 0 0 0 0 0 0 0 TIMING: 1961000 CPU: 7865.87, 0.00393924/step Wall: 7865.87, 0.00393924/step, 0.589791 hours remaining, 114.421875 MB of memory in use. ENERGY: 1961000 665.7119 1876.2207 1925.1372 110.3040 2.5679 -1068.1390 0.0000 0.0000 2678.5665 6190.3692 295.8551 3511.8027 6222.1059 297.4210 PRESSURE: 1961200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1961200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1961200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1961200 0 0 0 0 0 0 0 0 0 TIMING: 1961200 CPU: 7866.66, 0.00394104/step Wall: 7866.66, 0.00394104/step, 0.589842 hours remaining, 114.421875 MB of memory in use. ENERGY: 1961200 679.3321 1859.2416 1932.0607 111.0828 2.4535 -1054.5712 0.0000 0.0000 2653.1372 6182.7368 293.0464 3529.5995 6213.2401 298.1715 PRESSURE: 1961400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1961400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1961400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1961400 0 0 0 0 0 0 0 0 0 TIMING: 1961400 CPU: 7867.45, 0.00394148/step Wall: 7867.45, 0.00394148/step, 0.58969 hours remaining, 114.421875 MB of memory in use. ENERGY: 1961400 666.3736 1812.9636 1957.2206 112.2082 2.0442 -1025.4229 0.0000 0.0000 2628.6371 6154.0246 290.3403 3525.3874 6185.3134 298.4197 PRESSURE: 1961600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1961600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1961600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1961600 0 0 0 0 0 0 0 0 0 TIMING: 1961600 CPU: 7868.24, 0.00393762/step Wall: 7868.24, 0.00393762/step, 0.588894 hours remaining, 114.421875 MB of memory in use. ENERGY: 1961600 649.4052 1768.6000 1938.5306 104.7078 1.2281 -1034.7806 0.0000 0.0000 2687.5695 6115.2607 296.8495 3427.6911 6146.1309 296.6412 PRESSURE: 1961800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1961800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1961800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1961800 0 0 0 0 0 0 0 0 0 TIMING: 1961800 CPU: 7869.02, 0.00394065/step Wall: 7869.02, 0.00394065/step, 0.589126 hours remaining, 114.421875 MB of memory in use. ENERGY: 1961800 684.0237 1818.9939 1949.8585 107.0030 1.5704 -1071.5367 0.0000 0.0000 2659.1701 6149.0829 293.7127 3489.9128 6182.0611 295.9964 PRESSURE: 1962000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1962000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1962000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1962000 0 0 0 0 0 0 0 0 0 TIMING: 1962000 CPU: 7869.81, 0.00394197/step Wall: 7869.81, 0.00394197/step, 0.589106 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1962000 649.1564 1813.4023 1964.4141 103.5818 1.3539 -1105.1054 0.0000 0.0000 2695.5199 6122.3230 297.7277 3426.8031 6155.8002 297.3054 PRESSURE: 1962200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1962200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1962200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1962200 0 0 0 0 0 0 0 0 0 TIMING: 1962200 CPU: 7870.6, 0.00394314/step Wall: 7870.6, 0.00394314/step, 0.589061 hours remaining, 114.421875 MB of memory in use. ENERGY: 1962200 644.2508 1827.4139 1934.4181 92.1418 1.5452 -1064.2623 0.0000 0.0000 2667.5965 6103.1040 294.6435 3435.5075 6135.3866 293.3737 PRESSURE: 1962400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1962400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1962400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1962400 0 0 0 0 0 0 0 0 0 TIMING: 1962400 CPU: 7871.39, 0.00394386/step Wall: 7871.39, 0.00394386/step, 0.58895 hours remaining, 114.421875 MB of memory in use. ENERGY: 1962400 620.5547 1799.7803 1938.3755 112.3539 1.9633 -1075.0525 0.0000 0.0000 2687.4921 6085.4673 296.8410 3397.9752 6118.5738 293.0767 PRESSURE: 1962600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1962600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1962600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1962600 0 0 0 0 0 0 0 0 0 TIMING: 1962600 CPU: 7872.18, 0.00393719/step Wall: 7872.18, 0.00393719/step, 0.587735 hours remaining, 114.421875 MB of memory in use. ENERGY: 1962600 654.2027 1865.7255 1948.1778 111.7907 1.2365 -1083.3769 0.0000 0.0000 2669.8447 6167.6010 294.8918 3497.7563 6200.0645 295.5429 PRESSURE: 1962800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1962800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1962800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1962800 0 0 0 0 0 0 0 0 0 TIMING: 1962800 CPU: 7872.97, 0.00394195/step Wall: 7872.97, 0.00394195/step, 0.588226 hours remaining, 114.421875 MB of memory in use. ENERGY: 1962800 662.4754 1852.9064 1944.7491 92.0920 0.8139 -1105.6596 0.0000 0.0000 2741.9462 6189.3233 302.8556 3447.3771 6219.9469 296.8585 PRESSURE: 1963000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1963000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1963000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1963000 0 0 0 0 0 0 0 0 0 TIMING: 1963000 CPU: 7873.75, 0.00394231/step Wall: 7873.75, 0.00394231/step, 0.588061 hours remaining, 114.421875 MB of memory in use. ENERGY: 1963000 671.4899 1879.3478 1941.3419 111.3741 1.0382 -1082.4586 0.0000 0.0000 2704.8465 6226.9798 298.7578 3522.1333 6258.2829 300.8959 PRESSURE: 1963200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1963200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1963200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1963200 0 0 0 0 0 0 0 0 0 TIMING: 1963200 CPU: 7874.54, 0.00394207/step Wall: 7874.54, 0.00394207/step, 0.587807 hours remaining, 114.421875 MB of memory in use. ENERGY: 1963200 642.3868 1872.6589 1958.3436 96.5038 0.6867 -1061.1020 0.0000 0.0000 2681.7594 6191.2372 296.2078 3509.4778 6225.8601 299.2480 PRESSURE: 1963400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1963400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1963400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1963400 0 0 0 0 0 0 0 0 0 TIMING: 1963400 CPU: 7875.33, 0.00393724/step Wall: 7875.33, 0.00393724/step, 0.586868 hours remaining, 114.421875 MB of memory in use. ENERGY: 1963400 674.0417 1788.3234 1981.7048 108.9183 2.0782 -1063.3987 0.0000 0.0000 2689.6061 6181.2737 297.0745 3491.6676 6213.9363 298.6330 PRESSURE: 1963600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1963600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1963600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1963600 0 0 0 0 0 0 0 0 0 TIMING: 1963600 CPU: 7876.12, 0.00394097/step Wall: 7876.12, 0.00394097/step, 0.587205 hours remaining, 114.421875 MB of memory in use. ENERGY: 1963600 658.1519 1801.3384 1938.0999 98.1682 2.6053 -1079.9851 0.0000 0.0000 2760.5962 6178.9748 304.9155 3418.3786 6213.2948 299.6461 PRESSURE: 1963800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1963800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1963800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1963800 0 0 0 0 0 0 0 0 0 TIMING: 1963800 CPU: 7876.91, 0.00393996/step Wall: 7876.91, 0.00393996/step, 0.586836 hours remaining, 114.421875 MB of memory in use. ENERGY: 1963800 639.2575 1844.3943 1949.2555 117.5662 1.7860 -1072.7344 0.0000 0.0000 2663.0423 6142.5674 294.1404 3479.5251 6173.8391 299.3808 PRESSURE: 1964000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1964000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1964000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1964000 0 0 0 0 0 0 0 0 0 TIMING: 1964000 CPU: 7877.7, 0.00394183/step Wall: 7877.7, 0.00394183/step, 0.586894 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1964000 659.0967 1907.6282 1931.5735 116.5230 2.8236 -1131.1422 0.0000 0.0000 2689.5869 6176.0896 297.0724 3486.5028 6206.1752 298.7394 PRESSURE: 1964200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1964200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1964200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1964200 0 0 0 0 0 0 0 0 0 TIMING: 1964200 CPU: 7878.48, 0.0039421/step Wall: 7878.48, 0.0039421/step, 0.586715 hours remaining, 114.421875 MB of memory in use. ENERGY: 1964200 657.6001 1831.2802 1970.5520 100.5296 3.2594 -1085.0446 0.0000 0.0000 2710.4525 6188.6291 299.3770 3478.1766 6223.2273 299.6476 LDB: ============= START OF LOAD BALANCING ============== 7881.44 LDB: ============== END OF LOAD BALANCING =============== 7881.44 LDB: =============== DONE WITH MIGRATION ================ 7881.44 LDB: ============= START OF LOAD BALANCING ============== 7881.84 LDB: ============== END OF LOAD BALANCING =============== 7881.84 LDB: =============== DONE WITH MIGRATION ================ 7881.84 PRESSURE: 1964400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1964400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1964400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1964400 0 0 0 0 0 0 0 0 0 TIMING: 1964400 CPU: 7879.27, 0.00394252/step Wall: 7879.27, 0.00394252/step, 0.586559 hours remaining, 114.421875 MB of memory in use. ENERGY: 1964400 690.6716 1853.8648 1928.2105 108.6159 1.1475 -1092.5002 0.0000 0.0000 2667.7168 6157.7269 294.6568 3490.0101 6189.7869 296.9312 PRESSURE: 1964600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1964600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1964600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1964600 0 0 0 0 0 0 0 0 0 TIMING: 1964600 CPU: 7880.06, 0.00394212/step Wall: 7880.06, 0.00394212/step, 0.58628 hours remaining, 114.421875 MB of memory in use. ENERGY: 1964600 646.7605 1818.2188 1953.1010 110.8061 1.5842 -1047.4167 0.0000 0.0000 2706.9728 6190.0265 298.9927 3483.0538 6222.1948 298.2506 PRESSURE: 1964800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1964800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1964800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1964800 0 0 0 0 0 0 0 0 0 TIMING: 1964800 CPU: 7880.85, 0.00394141/step Wall: 7880.85, 0.00394142/step, 0.585957 hours remaining, 114.421875 MB of memory in use. ENERGY: 1964800 655.1489 1785.5573 1988.8802 95.3868 1.4098 -1071.9544 0.0000 0.0000 2664.9753 6119.4039 294.3539 3454.4285 6150.1039 296.7867 PRESSURE: 1965000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1965000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1965000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1965000 0 0 0 0 0 0 0 0 0 TIMING: 1965000 CPU: 7881.64, 0.00394316/step Wall: 7881.64, 0.00394316/step, 0.585998 hours remaining, 114.421875 MB of memory in use. ENERGY: 1965000 636.1077 1850.6053 1921.5160 113.0341 1.2987 -1095.6682 0.0000 0.0000 2679.6211 6106.5147 295.9716 3426.8936 6139.3550 294.7405 PRESSURE: 1965200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1965200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1965200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1965200 0 0 0 0 0 0 0 0 0 TIMING: 1965200 CPU: 7882.43, 0.00394261/step Wall: 7882.43, 0.00394261/step, 0.585697 hours remaining, 114.421875 MB of memory in use. ENERGY: 1965200 671.3611 1856.4123 1912.2661 104.9355 2.0732 -1064.2315 0.0000 0.0000 2684.2662 6167.0830 296.4847 3482.8167 6200.6289 294.8508 PRESSURE: 1965400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1965400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1965400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1965400 0 0 0 0 0 0 0 0 0 TIMING: 1965400 CPU: 7883.21, 0.00393972/step Wall: 7883.21, 0.00393972/step, 0.585048 hours remaining, 114.421875 MB of memory in use. ENERGY: 1965400 647.2643 1834.3424 1950.5280 111.2028 3.2971 -1055.4593 0.0000 0.0000 2698.4651 6189.6403 298.0530 3491.1752 6227.0245 297.4248 PRESSURE: 1965600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1965600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1965600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1965600 0 0 0 0 0 0 0 0 0 TIMING: 1965600 CPU: 7884, 0.00394328/step Wall: 7884, 0.00394328/step, 0.585358 hours remaining, 114.421875 MB of memory in use. ENERGY: 1965600 677.3058 1830.0260 1948.7529 110.4426 2.2383 -1063.0408 0.0000 0.0000 2689.5771 6195.3019 297.0713 3505.7248 6225.0200 298.2773 PRESSURE: 1965800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1965800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1965800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1965800 0 0 0 0 0 0 0 0 0 TIMING: 1965800 CPU: 7884.79, 0.00394273/step Wall: 7884.79, 0.00394273/step, 0.585057 hours remaining, 114.421875 MB of memory in use. ENERGY: 1965800 652.0054 1847.0356 1943.7100 107.6762 2.1752 -1095.5905 0.0000 0.0000 2720.2071 6177.2190 300.4545 3457.0119 6210.1433 298.8362 PRESSURE: 1966000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1966000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1966000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1966000 0 0 0 0 0 0 0 0 0 TIMING: 1966000 CPU: 7885.58, 0.00394314/step Wall: 7885.58, 0.00394315/step, 0.584901 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1966000 662.7744 1845.3722 1951.8068 93.0674 2.2772 -1073.7314 0.0000 0.0000 2707.8503 6189.4170 299.0896 3481.5667 6222.6293 299.4531 PRESSURE: 1966200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1966200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1966200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1966200 0 0 0 0 0 0 0 0 0 TIMING: 1966200 CPU: 7886.37, 0.00393839/step Wall: 7886.37, 0.00393839/step, 0.583975 hours remaining, 114.421875 MB of memory in use. ENERGY: 1966200 665.0247 1837.6807 1929.7807 125.9859 1.7265 -1062.0194 0.0000 0.0000 2672.4517 6170.6307 295.1797 3498.1790 6203.2923 296.9482 PRESSURE: 1966400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1966400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1966400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1966400 0 0 0 0 0 0 0 0 0 TIMING: 1966400 CPU: 7887.16, 0.00394385/step Wall: 7887.16, 0.00394385/step, 0.584566 hours remaining, 114.421875 MB of memory in use. ENERGY: 1966400 637.5269 1889.8016 1957.8936 108.6620 1.9059 -1085.5086 0.0000 0.0000 2710.7827 6221.0641 299.4135 3510.2815 6252.8056 299.3804 PRESSURE: 1966600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1966600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1966600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1966600 0 0 0 0 0 0 0 0 0 TIMING: 1966600 CPU: 7887.94, 0.00394287/step Wall: 7887.94, 0.00394287/step, 0.584202 hours remaining, 114.421875 MB of memory in use. ENERGY: 1966600 642.7423 1840.0579 1961.8026 114.7077 1.3627 -1074.6236 0.0000 0.0000 2712.9689 6199.0184 299.6550 3486.0495 6231.8783 300.7297 PRESSURE: 1966800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1966800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1966800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1966800 0 0 0 0 0 0 0 0 0 TIMING: 1966800 CPU: 7888.73, 0.00394209/step Wall: 7888.73, 0.00394209/step, 0.583867 hours remaining, 114.421875 MB of memory in use. ENERGY: 1966800 664.2541 1834.8044 1938.8995 104.7659 1.8947 -1072.7722 0.0000 0.0000 2760.3553 6232.2017 304.8889 3471.8464 6265.3955 300.6273 PRESSURE: 1967000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1967000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1967000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1967000 0 0 0 0 0 0 0 0 0 TIMING: 1967000 CPU: 7889.52, 0.00394325/step Wall: 7889.52, 0.00394325/step, 0.58382 hours remaining, 114.421875 MB of memory in use. ENERGY: 1967000 663.0646 1908.5283 1945.4367 99.3725 3.0894 -1056.5764 0.0000 0.0000 2657.2333 6220.1484 293.4988 3562.9152 6250.6777 301.4244 PRESSURE: 1967200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1967200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1967200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1967200 0 0 0 0 0 0 0 0 0 TIMING: 1967200 CPU: 7890.31, 0.00393813/step Wall: 7890.31, 0.00393813/step, 0.582844 hours remaining, 114.421875 MB of memory in use. ENERGY: 1967200 653.9182 1861.1890 1964.1782 109.4592 2.4881 -1054.8477 0.0000 0.0000 2731.9436 6268.3287 301.7508 3536.3850 6300.3237 300.0593 PRESSURE: 1967400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1967400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1967400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1967400 0 0 0 0 0 0 0 0 0 TIMING: 1967400 CPU: 7891.1, 0.00394387/step Wall: 7891.1, 0.00394387/step, 0.583474 hours remaining, 114.421875 MB of memory in use. ENERGY: 1967400 668.9065 1859.1668 1936.6556 115.3408 3.3335 -1058.5179 0.0000 0.0000 2672.9294 6197.8147 295.2325 3524.8853 6229.0597 299.8531 PRESSURE: 1967600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1967600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1967600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1967600 0 0 0 0 0 0 0 0 0 TIMING: 1967600 CPU: 7891.89, 0.00394163/step Wall: 7891.89, 0.00394163/step, 0.582923 hours remaining, 114.421875 MB of memory in use. ENERGY: 1967600 650.3718 1839.3350 1944.3711 100.8738 3.3064 -1064.8249 0.0000 0.0000 2685.1140 6158.5472 296.5783 3473.4332 6192.1637 296.5641 PRESSURE: 1967800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1967800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1967800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1967800 0 0 0 0 0 0 0 0 0 TIMING: 1967800 CPU: 7892.67, 0.00394278/step Wall: 7892.67, 0.00394278/step, 0.582874 hours remaining, 114.421875 MB of memory in use. ENERGY: 1967800 679.4459 1843.0263 1950.6160 100.2753 2.9055 -1070.7121 0.0000 0.0000 2673.5655 6179.1224 295.3028 3505.5569 6213.4309 297.1730 PRESSURE: 1968000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1968000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1968000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1968000 0 0 0 0 0 0 0 0 0 TIMING: 1968000 CPU: 7893.46, 0.00394352/step Wall: 7893.46, 0.00394352/step, 0.582765 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1968000 650.1639 1814.1232 1957.0319 105.9167 2.4757 -1074.6045 0.0000 0.0000 2734.8859 6189.9927 302.0758 3455.1069 6223.8303 296.7514 PRESSURE: 1968200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1968200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1968200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1968200 0 0 0 0 0 0 0 0 0 TIMING: 1968200 CPU: 7894.25, 0.0039379/step Wall: 7894.25, 0.0039379/step, 0.581715 hours remaining, 114.421875 MB of memory in use. ENERGY: 1968200 640.5263 1853.3854 1945.7356 114.3757 2.7343 -1083.6849 0.0000 0.0000 2690.3370 6163.4095 297.1552 3473.0725 6194.5905 298.4230 LDB: ============= START OF LOAD BALANCING ============== 7897.21 LDB: ============== END OF LOAD BALANCING =============== 7897.21 LDB: =============== DONE WITH MIGRATION ================ 7897.21 LDB: ============= START OF LOAD BALANCING ============== 7897.6 LDB: ============== END OF LOAD BALANCING =============== 7897.6 LDB: =============== DONE WITH MIGRATION ================ 7897.61 PRESSURE: 1968400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1968400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1968400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1968400 0 0 0 0 0 0 0 0 0 TIMING: 1968400 CPU: 7895.04, 0.00394753/step Wall: 7895.04, 0.00394753/step, 0.582918 hours remaining, 114.421875 MB of memory in use. ENERGY: 1968400 616.8746 1850.5604 1949.0993 102.0251 1.9261 -1077.2437 0.0000 0.0000 2680.1425 6123.3844 296.0292 3443.2419 6156.6673 296.1480 PRESSURE: 1968600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1968600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1968600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1968600 0 0 0 0 0 0 0 0 0 TIMING: 1968600 CPU: 7895.83, 0.00394297/step Wall: 7895.83, 0.00394297/step, 0.582025 hours remaining, 114.421875 MB of memory in use. ENERGY: 1968600 641.4439 1869.7047 1940.7595 110.2820 1.1954 -1095.6096 0.0000 0.0000 2663.0286 6130.8045 294.1389 3467.7759 6163.0606 294.7938 PRESSURE: 1968800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1968800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1968800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1968800 0 0 0 0 0 0 0 0 0 TIMING: 1968800 CPU: 7896.62, 0.00394215/step Wall: 7896.62, 0.00394215/step, 0.581685 hours remaining, 114.421875 MB of memory in use. ENERGY: 1968800 623.5752 1831.5209 1949.9514 110.4727 2.0731 -1076.6264 0.0000 0.0000 2616.3807 6057.3475 288.9865 3440.9668 6090.1308 293.5868 PRESSURE: 1969000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1969000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1969000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1969000 0 0 0 0 0 0 0 0 0 TIMING: 1969000 CPU: 7897.41, 0.00393869/step Wall: 7897.41, 0.00393869/step, 0.580957 hours remaining, 114.421875 MB of memory in use. ENERGY: 1969000 632.6949 1747.1633 1936.8401 108.1130 2.6250 -1059.8543 0.0000 0.0000 2668.5815 6036.1634 294.7523 3367.5820 6069.4071 290.0098 PRESSURE: 1969200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1969200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1969200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1969200 0 0 0 0 0 0 0 0 0 TIMING: 1969200 CPU: 7898.19, 0.00394329/step Wall: 7898.19, 0.00394329/step, 0.581416 hours remaining, 114.421875 MB of memory in use. ENERGY: 1969200 660.5495 1803.5542 1932.8865 95.7721 2.0494 -1043.5527 0.0000 0.0000 2667.2656 6118.5246 294.6069 3451.2590 6150.4327 291.8118 PRESSURE: 1969400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1969400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1969400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1969400 0 0 0 0 0 0 0 0 0 TIMING: 1969400 CPU: 7898.99, 0.00395811/step Wall: 7898.99, 0.00395811/step, 0.583381 hours remaining, 114.421875 MB of memory in use. ENERGY: 1969400 673.1273 1814.8271 1950.8477 112.3583 1.0360 -1085.3478 0.0000 0.0000 2668.5732 6135.4217 294.7513 3466.8486 6167.5212 294.8795 PRESSURE: 1969600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1969600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1969600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1969600 0 0 0 0 0 0 0 0 0 TIMING: 1969600 CPU: 7899.77, 0.00394189/step Wall: 7899.77, 0.00394189/step, 0.580771 hours remaining, 114.421875 MB of memory in use. ENERGY: 1969600 648.1305 1834.8990 1936.0048 119.1760 1.5719 -1067.3808 0.0000 0.0000 2685.3662 6157.7675 296.6062 3472.4013 6189.4476 296.3262 PRESSURE: 1969800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1969800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1969800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1969800 0 0 0 0 0 0 0 0 0 TIMING: 1969800 CPU: 7900.56, 0.00394194/step Wall: 7900.56, 0.00394194/step, 0.580559 hours remaining, 114.421875 MB of memory in use. ENERGY: 1969800 670.0029 1842.3149 1935.6430 114.9714 1.5528 -1086.9117 0.0000 0.0000 2738.9026 6216.4759 302.5194 3477.5733 6251.4635 297.7422 PRESSURE: 1970000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1970000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1970000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1970000 0 0 0 0 0 0 0 0 0 TIMING: 1970000 CPU: 7901.35, 0.0039409/step Wall: 7901.35, 0.0039409/step, 0.580189 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1970000 655.5292 1908.8690 1943.7490 100.3343 2.4338 -1077.9706 0.0000 0.0000 2705.4510 6238.3957 298.8246 3532.9446 6274.5161 300.1773 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1970000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1970000 WRITING COORDINATES TO RESTART FILE AT STEP 1970000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1970000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1970200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1970200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1970200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1970200 0 0 0 0 0 0 0 0 0 TIMING: 1970200 CPU: 7902.2, 0.00423361/step Wall: 7902.2, 0.00423361/step, 0.623046 hours remaining, 114.421875 MB of memory in use. ENERGY: 1970200 655.7724 1832.7887 1960.6092 95.6546 1.3907 -1069.6391 0.0000 0.0000 2758.5557 6235.1321 304.6902 3476.5764 6269.6633 300.8670 PRESSURE: 1970400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1970400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1970400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1970400 0 0 0 0 0 0 0 0 0 TIMING: 1970400 CPU: 7902.99, 0.0039402/step Wall: 7902.99, 0.0039402/step, 0.579648 hours remaining, 114.421875 MB of memory in use. ENERGY: 1970400 638.1988 1855.6012 1956.0791 105.8420 1.7235 -1068.0295 0.0000 0.0000 2649.7243 6139.1394 292.6694 3489.4152 6172.5646 298.2451 PRESSURE: 1970600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1970600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1970600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1970600 0 0 0 0 0 0 0 0 0 TIMING: 1970600 CPU: 7903.77, 0.00394165/step Wall: 7903.77, 0.00394165/step, 0.579642 hours remaining, 114.421875 MB of memory in use. ENERGY: 1970600 666.2913 1813.2186 1949.6060 117.1021 0.8820 -1097.8631 0.0000 0.0000 2698.9889 6148.2258 298.1108 3449.2369 6182.7983 295.5994 PRESSURE: 1970800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1970800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1970800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1970800 0 0 0 0 0 0 0 0 0 TIMING: 1970800 CPU: 7904.56, 0.00394048/step Wall: 7904.56, 0.00394048/step, 0.579251 hours remaining, 114.421875 MB of memory in use. ENERGY: 1970800 654.7174 1832.8655 1953.5826 116.7188 1.8519 -1074.8308 0.0000 0.0000 2676.9299 6161.8353 295.6744 3484.9054 6196.0665 297.6530 PRESSURE: 1971000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1971000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1971000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1971000 0 0 0 0 0 0 0 0 0 TIMING: 1971000 CPU: 7905.35, 0.00395359/step Wall: 7905.35, 0.00395359/step, 0.580957 hours remaining, 114.421875 MB of memory in use. ENERGY: 1971000 647.1443 1824.2482 1967.3403 99.4939 2.8164 -1055.5485 0.0000 0.0000 2717.9842 6203.4788 300.2089 3485.4946 6235.4001 298.7861 PRESSURE: 1971200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1971200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1971200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1971200 0 0 0 0 0 0 0 0 0 TIMING: 1971200 CPU: 7906.14, 0.00394592/step Wall: 7906.14, 0.00394592/step, 0.579612 hours remaining, 114.421875 MB of memory in use. ENERGY: 1971200 678.6102 1849.7540 1944.6189 114.7469 1.9058 -1047.2787 0.0000 0.0000 2728.5153 6270.8723 301.3721 3542.3570 6302.5342 301.9238 PRESSURE: 1971400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1971400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1971400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1971400 0 0 0 0 0 0 0 0 0 TIMING: 1971400 CPU: 7906.93, 0.00394379/step Wall: 7906.93, 0.00394379/step, 0.57908 hours remaining, 114.421875 MB of memory in use. ENERGY: 1971400 679.3818 1854.5295 1962.0736 94.8467 1.6869 -1025.6712 0.0000 0.0000 2723.5765 6290.4239 300.8266 3566.8474 6321.6089 304.2999 PRESSURE: 1971600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1971600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1971600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1971600 0 0 0 0 0 0 0 0 0 TIMING: 1971600 CPU: 7907.72, 0.00394163/step Wall: 7907.72, 0.00394163/step, 0.578543 hours remaining, 114.421875 MB of memory in use. ENERGY: 1971600 672.8377 1867.0210 1949.0662 108.7709 3.3578 -1080.6660 0.0000 0.0000 2717.3587 6237.7462 300.1398 3520.3875 6270.1988 303.2796 PRESSURE: 1971800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1971800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1971800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1971800 0 0 0 0 0 0 0 0 0 TIMING: 1971800 CPU: 7908.51, 0.00394241/step Wall: 7908.51, 0.00394241/step, 0.57844 hours remaining, 114.421875 MB of memory in use. ENERGY: 1971800 669.8755 1867.7639 1937.5488 107.6211 2.1768 -1089.6654 0.0000 0.0000 2679.2571 6174.5779 295.9314 3495.3208 6206.3802 300.7978 PRESSURE: 1972000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1972000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1972000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1972000 0 0 0 0 0 0 0 0 0 TIMING: 1972000 CPU: 7909.3, 0.00393939/step Wall: 7909.3, 0.00393939/step, 0.577777 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1972000 674.8985 1853.7837 1945.0311 90.2990 1.2954 -1036.2844 0.0000 0.0000 2754.4908 6283.5140 304.2412 3529.0233 6315.3672 300.3321 PRESSURE: 1972200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1972200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1972200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1972200 0 0 0 0 0 0 0 0 0 TIMING: 1972200 CPU: 7910.08, 0.00394289/step Wall: 7910.08, 0.00394289/step, 0.578072 hours remaining, 114.421875 MB of memory in use. ENERGY: 1972200 707.1260 1827.1053 1958.8672 114.8468 2.1376 -1075.2422 0.0000 0.0000 2736.0858 6270.9265 302.2083 3534.8407 6303.9077 304.6355 LDB: ============= START OF LOAD BALANCING ============== 7913.04 LDB: ============== END OF LOAD BALANCING =============== 7913.04 LDB: =============== DONE WITH MIGRATION ================ 7913.04 LDB: ============= START OF LOAD BALANCING ============== 7913.44 LDB: ============== END OF LOAD BALANCING =============== 7913.44 LDB: =============== DONE WITH MIGRATION ================ 7913.44 PRESSURE: 1972400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1972400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1972400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1972400 0 0 0 0 0 0 0 0 0 TIMING: 1972400 CPU: 7910.87, 0.00394714/step Wall: 7910.87, 0.00394714/step, 0.578476 hours remaining, 114.421875 MB of memory in use. ENERGY: 1972400 686.2781 1870.2020 1960.1264 110.9142 2.4829 -1123.5542 0.0000 0.0000 2767.4956 6273.9450 305.6776 3506.4494 6308.0263 303.8632 PRESSURE: 1972600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1972600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1972600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1972600 0 0 0 0 0 0 0 0 0 TIMING: 1972600 CPU: 7911.66, 0.00394215/step Wall: 7911.66, 0.00394215/step, 0.577525 hours remaining, 114.421875 MB of memory in use. ENERGY: 1972600 656.5357 1861.7248 1961.1066 117.1419 2.1214 -1083.1815 0.0000 0.0000 2775.3903 6290.8392 306.5496 3515.4490 6326.6185 305.1248 PRESSURE: 1972800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1972800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1972800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1972800 0 0 0 0 0 0 0 0 0 TIMING: 1972800 CPU: 7912.45, 0.00393782/step Wall: 7912.45, 0.00393782/step, 0.576671 hours remaining, 114.421875 MB of memory in use. ENERGY: 1972800 661.1633 1903.0117 1955.2941 117.9601 1.8462 -1065.2625 0.0000 0.0000 2687.2351 6261.2480 296.8126 3574.0130 6292.5977 302.6070 PRESSURE: 1973000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1973000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1973000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1973000 0 0 0 0 0 0 0 0 0 TIMING: 1973000 CPU: 7913.24, 0.00394065/step Wall: 7913.24, 0.00394065/step, 0.576868 hours remaining, 114.421875 MB of memory in use. ENERGY: 1973000 672.2698 1870.5238 1947.9456 101.2971 2.0558 -1102.2022 0.0000 0.0000 2725.8974 6217.7873 301.0830 3491.8898 6249.8108 301.9034 PRESSURE: 1973200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1973200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1973200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1973200 0 0 0 0 0 0 0 0 0 TIMING: 1973200 CPU: 7914.03, 0.00394106/step Wall: 7914.03, 0.00394106/step, 0.576708 hours remaining, 114.421875 MB of memory in use. ENERGY: 1973200 646.6763 1821.1758 1976.2029 130.4982 3.3732 -1073.0874 0.0000 0.0000 2729.4325 6234.2714 301.4734 3504.8389 6270.1365 302.7330 PRESSURE: 1973400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1973400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1973400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1973400 0 0 0 0 0 0 0 0 0 TIMING: 1973400 CPU: 7914.81, 0.00394171/step Wall: 7914.81, 0.00394171/step, 0.576585 hours remaining, 114.421875 MB of memory in use. ENERGY: 1973400 698.9805 1865.2552 1955.2668 104.9973 3.6765 -1076.8554 0.0000 0.0000 2696.0478 6247.3687 297.7860 3551.3209 6285.1090 299.8922 PRESSURE: 1973600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1973600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1973600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1973600 0 0 0 0 0 0 0 0 0 TIMING: 1973600 CPU: 7915.6, 0.00394316/step Wall: 7915.6, 0.00394316/step, 0.576578 hours remaining, 114.421875 MB of memory in use. ENERGY: 1973600 710.5587 1848.7655 1928.5384 105.2116 0.4782 -1062.8420 0.0000 0.0000 2722.0391 6252.7494 300.6568 3530.7104 6283.7554 302.9428 PRESSURE: 1973800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1973800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1973800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1973800 0 0 0 0 0 0 0 0 0 TIMING: 1973800 CPU: 7916.39, 0.0039398/step Wall: 7916.39, 0.0039398/step, 0.575867 hours remaining, 114.421875 MB of memory in use. ENERGY: 1973800 699.5997 1886.2595 1953.7587 110.4697 1.0165 -1077.6017 0.0000 0.0000 2676.3726 6249.8750 295.6128 3573.5025 6281.3273 301.7925 PRESSURE: 1974000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1974000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1974000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1974000 0 0 0 0 0 0 0 0 0 TIMING: 1974000 CPU: 7917.18, 0.00394246/step Wall: 7917.18, 0.00394246/step, 0.576036 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1974000 641.5804 1821.3949 1934.7561 112.7315 1.5624 -1055.4819 0.0000 0.0000 2752.2675 6208.8109 303.9956 3456.5434 6244.2669 301.2209 PRESSURE: 1974200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1974200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1974200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1974200 0 0 0 0 0 0 0 0 0 TIMING: 1974200 CPU: 7917.97, 0.00394014/step Wall: 7917.97, 0.00394014/step, 0.575479 hours remaining, 114.421875 MB of memory in use. ENERGY: 1974200 632.7369 1901.9593 1961.2954 105.8674 1.6476 -1097.7994 0.0000 0.0000 2675.3204 6181.0275 295.4966 3505.7071 6212.5255 300.1265 PRESSURE: 1974400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1974400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1974400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1974400 0 0 0 0 0 0 0 0 0 TIMING: 1974400 CPU: 7918.76, 0.00394029/step Wall: 7918.76, 0.00394029/step, 0.575283 hours remaining, 114.421875 MB of memory in use. ENERGY: 1974400 664.4568 1879.4809 1946.9465 118.0480 1.5299 -1118.7482 0.0000 0.0000 2731.0451 6222.7590 301.6515 3491.7139 6253.1947 299.7094 PRESSURE: 1974600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1974600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1974600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1974600 0 0 0 0 0 0 0 0 0 TIMING: 1974600 CPU: 7919.54, 0.00394154/step Wall: 7919.54, 0.00394154/step, 0.575246 hours remaining, 114.421875 MB of memory in use. ENERGY: 1974600 645.4077 1869.3319 1963.2007 105.0084 0.7152 -1099.5643 0.0000 0.0000 2693.2582 6177.3578 297.4779 3484.0996 6210.3131 300.3026 PRESSURE: 1974800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1974800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1974800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1974800 0 0 0 0 0 0 0 0 0 TIMING: 1974800 CPU: 7920.33, 0.0039366/step Wall: 7920.33, 0.0039366/step, 0.574306 hours remaining, 114.421875 MB of memory in use. ENERGY: 1974800 683.5894 1847.8597 1938.4818 104.2864 1.2999 -1072.8259 0.0000 0.0000 2713.2905 6215.9818 299.6905 3502.6913 6248.9828 300.5332 PRESSURE: 1975000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1975000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1975000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1975000 0 0 0 0 0 0 0 0 0 TIMING: 1975000 CPU: 7921.12, 0.00394308/step Wall: 7921.12, 0.00394308/step, 0.575032 hours remaining, 114.421875 MB of memory in use. ENERGY: 1975000 686.7184 1888.6260 1945.7851 107.7706 3.0218 -1097.9447 0.0000 0.0000 2684.7204 6218.6975 296.5348 3533.9771 6250.2266 300.1336 PRESSURE: 1975200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1975200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1975200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1975200 0 0 0 0 0 0 0 0 0 TIMING: 1975200 CPU: 7921.91, 0.00394069/step Wall: 7921.91, 0.00394069/step, 0.574465 hours remaining, 114.421875 MB of memory in use. ENERGY: 1975200 654.5207 1823.2763 1970.7490 117.7929 2.0788 -1085.4129 0.0000 0.0000 2718.9270 6201.9318 300.3131 3483.0048 6232.4620 300.2027 PRESSURE: 1975400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1975400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1975400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1975400 0 0 0 0 0 0 0 0 0 TIMING: 1975400 CPU: 7922.7, 0.0039401/step Wall: 7922.7, 0.0039401/step, 0.57416 hours remaining, 114.421875 MB of memory in use. ENERGY: 1975400 655.9393 1775.5657 1940.6471 118.7065 2.9847 -1056.9203 0.0000 0.0000 2724.3047 6161.2276 300.9070 3436.9230 6195.7134 298.2963 PRESSURE: 1975600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1975600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1975600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1975600 0 0 0 0 0 0 0 0 0 TIMING: 1975600 CPU: 7923.48, 0.0039389/step Wall: 7923.48, 0.0039389/step, 0.573766 hours remaining, 114.421875 MB of memory in use. ENERGY: 1975600 676.7999 1811.7329 1948.8134 122.4923 1.7188 -1099.2285 0.0000 0.0000 2720.3291 6182.6580 300.4679 3462.3288 6216.5199 297.5321 PRESSURE: 1975800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1975800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1975800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1975800 0 0 0 0 0 0 0 0 0 TIMING: 1975800 CPU: 7924.27, 0.00393729/step Wall: 7924.27, 0.00393729/step, 0.573313 hours remaining, 114.421875 MB of memory in use. ENERGY: 1975800 662.6459 1836.9224 1939.2352 100.0892 4.4042 -1081.2398 0.0000 0.0000 2715.3856 6177.4428 299.9219 3462.0572 6212.2066 298.4431 PRESSURE: 1976000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1976000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1976000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1976000 0 0 0 0 0 0 0 0 0 TIMING: 1976000 CPU: 7925.06, 0.0039408/step Wall: 7925.06, 0.0039408/step, 0.573605 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1976000 643.4554 1866.3370 1950.8313 115.8037 1.2922 -1102.2564 0.0000 0.0000 2730.7615 6206.2246 301.6202 3475.4631 6237.6508 301.9072 PRESSURE: 1976200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1976200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1976200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1976200 0 0 0 0 0 0 0 0 0 TIMING: 1976200 CPU: 7925.85, 0.00394133/step Wall: 7925.85, 0.00394133/step, 0.573463 hours remaining, 114.421875 MB of memory in use. ENERGY: 1976200 656.0003 1881.6814 1950.6679 113.1017 1.7925 -1062.8849 0.0000 0.0000 2719.0697 6259.4286 300.3288 3540.3589 6293.1263 302.0335 LDB: ============= START OF LOAD BALANCING ============== 7928.81 LDB: ============== END OF LOAD BALANCING =============== 7928.81 LDB: =============== DONE WITH MIGRATION ================ 7928.81 LDB: ============= START OF LOAD BALANCING ============== 7929.2 LDB: ============== END OF LOAD BALANCING =============== 7929.2 LDB: =============== DONE WITH MIGRATION ================ 7929.2 PRESSURE: 1976400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1976400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1976400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1976400 0 0 0 0 0 0 0 0 0 TIMING: 1976400 CPU: 7926.64, 0.00394636/step Wall: 7926.64, 0.00394636/step, 0.573975 hours remaining, 114.421875 MB of memory in use. ENERGY: 1976400 670.1326 1818.5096 1939.9206 103.7778 1.2767 -1074.4748 0.0000 0.0000 2790.8475 6249.9900 308.2569 3459.1425 6287.5698 302.9120 PRESSURE: 1976600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1976600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1976600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1976600 0 0 0 0 0 0 0 0 0 TIMING: 1976600 CPU: 7927.42, 0.00393842/step Wall: 7927.42, 0.00393842/step, 0.572603 hours remaining, 114.421875 MB of memory in use. ENERGY: 1976600 633.9248 1838.5226 1956.3233 99.0336 1.4855 -1037.8816 0.0000 0.0000 2740.6440 6232.0521 302.7118 3491.4082 6266.4857 301.3930 PRESSURE: 1976800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1976800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1976800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1976800 0 0 0 0 0 0 0 0 0 TIMING: 1976800 CPU: 7928.21, 0.00394184/step Wall: 7928.21, 0.00394184/step, 0.572881 hours remaining, 114.421875 MB of memory in use. ENERGY: 1976800 684.4678 1878.6104 1958.2805 107.9725 2.5245 -1090.5425 0.0000 0.0000 2724.9936 6266.3068 300.9831 3541.3132 6301.8015 303.0397 PRESSURE: 1977000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1977000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1977000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1977000 0 0 0 0 0 0 0 0 0 TIMING: 1977000 CPU: 7929, 0.00394098/step Wall: 7929, 0.00394098/step, 0.572536 hours remaining, 114.421875 MB of memory in use. ENERGY: 1977000 645.0690 1882.0951 1976.5187 118.4295 1.4563 -1094.7490 0.0000 0.0000 2701.4739 6230.2935 298.3853 3528.8196 6264.8026 301.4925 PRESSURE: 1977200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1977200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1977200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1977200 0 0 0 0 0 0 0 0 0 TIMING: 1977200 CPU: 7929.79, 0.00394231/step Wall: 7929.79, 0.00394231/step, 0.572512 hours remaining, 114.421875 MB of memory in use. ENERGY: 1977200 697.4318 1874.1925 1965.3089 106.6059 0.5582 -1058.0767 0.0000 0.0000 2753.6548 6339.6754 304.1488 3586.0206 6373.7566 304.1160 PRESSURE: 1977400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1977400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1977400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1977400 0 0 0 0 0 0 0 0 0 TIMING: 1977400 CPU: 7930.58, 0.00394044/step Wall: 7930.58, 0.00394044/step, 0.57202 hours remaining, 114.421875 MB of memory in use. ENERGY: 1977400 657.3339 1856.2890 1950.1115 110.3984 2.2237 -1067.8768 0.0000 0.0000 2794.2480 6302.7276 308.6325 3508.4796 6338.4554 307.1631 PRESSURE: 1977600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1977600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1977600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1977600 0 0 0 0 0 0 0 0 0 TIMING: 1977600 CPU: 7931.36, 0.00393708/step Wall: 7931.36, 0.00393707/step, 0.571312 hours remaining, 114.421875 MB of memory in use. ENERGY: 1977600 657.0630 1903.2675 1950.3360 99.7961 2.0573 -1101.0236 0.0000 0.0000 2761.4961 6272.9923 305.0149 3511.4963 6306.8206 304.0081 PRESSURE: 1977800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1977800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1977800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1977800 0 0 0 0 0 0 0 0 0 TIMING: 1977800 CPU: 7932.15, 0.0039393/step Wall: 7932.15, 0.00393931/step, 0.571419 hours remaining, 114.421875 MB of memory in use. ENERGY: 1977800 688.8362 1882.2723 1970.3057 103.5751 2.6328 -1096.5380 0.0000 0.0000 2694.0242 6245.1083 297.5625 3551.0841 6279.2898 304.5891 PRESSURE: 1978000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1978000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1978000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1978000 0 0 0 0 0 0 0 0 0 TIMING: 1978000 CPU: 7932.94, 0.00393852/step Wall: 7932.94, 0.00393852/step, 0.571085 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1978000 648.9627 1846.4359 1965.9279 110.9771 2.3816 -1053.0924 0.0000 0.0000 2721.9327 6243.5256 300.6450 3521.5929 6276.8322 303.2012 PRESSURE: 1978200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1978200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1978200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1978200 0 0 0 0 0 0 0 0 0 TIMING: 1978200 CPU: 7933.73, 0.00394063/step Wall: 7933.73, 0.00394063/step, 0.571173 hours remaining, 114.421875 MB of memory in use. ENERGY: 1978200 708.6379 1869.9874 1944.5515 92.4060 1.5922 -1089.9874 0.0000 0.0000 2722.9919 6250.1795 300.7620 3527.1877 6282.8717 300.3626 PRESSURE: 1978400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1978400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1978400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1978400 0 0 0 0 0 0 0 0 0 TIMING: 1978400 CPU: 7934.52, 0.0039382/step Wall: 7934.52, 0.0039382/step, 0.570601 hours remaining, 114.421875 MB of memory in use. ENERGY: 1978400 665.6078 1822.9597 1976.4162 119.5673 3.2930 -1104.5484 0.0000 0.0000 2759.9392 6243.2348 304.8430 3483.2957 6276.0681 302.5938 PRESSURE: 1978600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1978600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1978600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1978600 0 0 0 0 0 0 0 0 0 TIMING: 1978600 CPU: 7935.3, 0.00393486/step Wall: 7935.3, 0.00393486/step, 0.569898 hours remaining, 114.421875 MB of memory in use. ENERGY: 1978600 687.8371 1880.7217 1957.8518 104.8892 1.1033 -1097.2522 0.0000 0.0000 2725.2551 6260.4060 301.0120 3535.1509 6290.1991 301.9854 PRESSURE: 1978800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1978800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1978800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1978800 0 0 0 0 0 0 0 0 0 TIMING: 1978800 CPU: 7936.09, 0.00394027/step Wall: 7936.09, 0.00394027/step, 0.570464 hours remaining, 114.421875 MB of memory in use. ENERGY: 1978800 650.6453 1865.6397 1974.0400 111.3038 3.7169 -1073.3967 0.0000 0.0000 2693.6147 6225.5637 297.5173 3531.9490 6259.2012 302.1300 PRESSURE: 1979000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1979000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1979000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1979000 0 0 0 0 0 0 0 0 0 TIMING: 1979000 CPU: 7936.88, 0.00393935/step Wall: 7936.88, 0.00393935/step, 0.570112 hours remaining, 114.421875 MB of memory in use. ENERGY: 1979000 651.6148 1852.3955 1962.9117 108.8109 1.6080 -1098.9017 0.0000 0.0000 2752.4561 6230.8953 304.0164 3478.4392 6265.4428 300.2603 PRESSURE: 1979200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1979200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1979200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1979200 0 0 0 0 0 0 0 0 0 TIMING: 1979200 CPU: 7937.67, 0.00394102/step Wall: 7937.67, 0.00394102/step, 0.570134 hours remaining, 114.421875 MB of memory in use. ENERGY: 1979200 676.8672 1837.4260 1985.1068 100.3569 2.3520 -1091.8337 0.0000 0.0000 2684.1900 6194.4651 296.4763 3510.2751 6228.4846 300.0405 PRESSURE: 1979400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1979400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1979400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1979400 0 0 0 0 0 0 0 0 0 TIMING: 1979400 CPU: 7938.45, 0.00393577/step Wall: 7938.45, 0.00393577/step, 0.569155 hours remaining, 114.421875 MB of memory in use. ENERGY: 1979400 646.4025 1833.8146 1976.9142 115.3294 2.8571 -1059.2499 0.0000 0.0000 2659.7660 6175.8338 293.7786 3516.0679 6209.7975 299.4604 PRESSURE: 1979600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1979600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1979600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1979600 0 0 0 0 0 0 0 0 0 TIMING: 1979600 CPU: 7939.24, 0.00394711/step Wall: 7939.24, 0.00394711/step, 0.570576 hours remaining, 114.421875 MB of memory in use. ENERGY: 1979600 635.4136 1852.6000 1974.7396 112.0120 3.0016 -1094.0888 0.0000 0.0000 2679.2194 6162.8975 295.9272 3483.6781 6197.6173 299.2037 PRESSURE: 1979800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1979800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1979800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1979800 0 0 0 0 0 0 0 0 0 TIMING: 1979800 CPU: 7940.03, 0.00394001/step Wall: 7940.03, 0.00394001/step, 0.569332 hours remaining, 114.421875 MB of memory in use. ENERGY: 1979800 662.9081 1819.1750 1972.3491 107.4141 2.8215 -1099.4133 0.0000 0.0000 2683.0204 6148.2750 296.3471 3465.2545 6177.6540 295.9454 PRESSURE: 1980000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1980000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1980000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1980000 0 0 0 0 0 0 0 0 0 TIMING: 1980000 CPU: 7940.82, 0.00394065/step Wall: 7940.82, 0.00394065/step, 0.569206 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1980000 618.9678 1829.3072 1976.4886 105.7551 0.9053 -1090.2059 0.0000 0.0000 2667.7961 6109.0142 294.6655 3441.2181 6140.4692 296.5214 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1980000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1980000 WRITING COORDINATES TO RESTART FILE AT STEP 1980000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1980000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1980200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1980200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1980200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1980200 0 0 0 0 0 0 0 0 0 TIMING: 1980200 CPU: 7943.33, 0.0125425/step Wall: 7943.33, 0.0125425/step, 1.811 hours remaining, 114.421875 MB of memory in use. ENERGY: 1980200 675.0270 1816.7989 1952.0727 105.9524 1.8315 -1082.4033 0.0000 0.0000 2725.2855 6194.5646 301.0154 3469.2791 6226.7770 296.1241 LDB: ============= START OF LOAD BALANCING ============== 7946.29 LDB: ============== END OF LOAD BALANCING =============== 7946.29 LDB: =============== DONE WITH MIGRATION ================ 7946.29 LDB: ============= START OF LOAD BALANCING ============== 7946.68 LDB: ============== END OF LOAD BALANCING =============== 7946.68 LDB: =============== DONE WITH MIGRATION ================ 7946.68 PRESSURE: 1980400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1980400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1980400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1980400 0 0 0 0 0 0 0 0 0 TIMING: 1980400 CPU: 7944.12, 0.00394604/step Wall: 7944.12, 0.00394603/step, 0.569544 hours remaining, 114.421875 MB of memory in use. ENERGY: 1980400 641.4668 1815.6128 1953.5411 102.3351 1.3167 -1046.0051 0.0000 0.0000 2760.1435 6228.4109 304.8655 3468.2675 6265.6656 300.0519 PRESSURE: 1980600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1980600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1980600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1980600 0 0 0 0 0 0 0 0 0 TIMING: 1980600 CPU: 7944.91, 0.00394138/step Wall: 7944.91, 0.00394138/step, 0.568654 hours remaining, 114.421875 MB of memory in use. ENERGY: 1980600 659.1838 1880.6213 1944.1085 106.1447 2.7859 -1061.4030 0.0000 0.0000 2735.4962 6266.9373 302.1432 3531.4411 6299.9190 302.5111 PRESSURE: 1980800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1980800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1980800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1980800 0 0 0 0 0 0 0 0 0 TIMING: 1980800 CPU: 7945.69, 0.00394418/step Wall: 7945.69, 0.00394418/step, 0.568838 hours remaining, 114.421875 MB of memory in use. ENERGY: 1980800 693.7512 1859.9430 1922.1233 116.2112 2.9912 -1106.1071 0.0000 0.0000 2791.0730 6279.9859 308.2818 3488.9129 6313.2255 304.3168 PRESSURE: 1981000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1981000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1981000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1981000 0 0 0 0 0 0 0 0 0 TIMING: 1981000 CPU: 7946.48, 0.00393678/step Wall: 7946.48, 0.00393678/step, 0.567552 hours remaining, 114.421875 MB of memory in use. ENERGY: 1981000 639.9902 1870.3951 1934.1925 121.6132 0.9137 -1058.9076 0.0000 0.0000 2793.2416 6301.4386 308.5213 3508.1971 6335.2148 303.7083 PRESSURE: 1981200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1981200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1981200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1981200 0 0 0 0 0 0 0 0 0 TIMING: 1981200 CPU: 7947.27, 0.00394203/step Wall: 7947.27, 0.00394203/step, 0.56809 hours remaining, 114.421875 MB of memory in use. ENERGY: 1981200 618.3178 1835.6050 1952.9210 106.4217 3.7635 -1056.7947 0.0000 0.0000 2746.9475 6207.1817 303.4080 3460.2343 6242.7995 301.6503 PRESSURE: 1981400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1981400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1981400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1981400 0 0 0 0 0 0 0 0 0 TIMING: 1981400 CPU: 7948.06, 0.00394198/step Wall: 7948.06, 0.00394198/step, 0.567864 hours remaining, 114.421875 MB of memory in use. ENERGY: 1981400 646.5176 1922.0303 1942.6428 108.1282 1.4565 -1117.8974 0.0000 0.0000 2711.0390 6213.9171 299.4418 3502.8781 6244.3371 300.2501 PRESSURE: 1981600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1981600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1981600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1981600 0 0 0 0 0 0 0 0 0 TIMING: 1981600 CPU: 7948.85, 0.00394233/step Wall: 7948.85, 0.00394233/step, 0.567696 hours remaining, 114.421875 MB of memory in use. ENERGY: 1981600 605.4438 1843.1083 1963.0763 120.0076 0.8810 -1074.8732 0.0000 0.0000 2752.4008 6210.0446 304.0103 3457.6438 6248.8059 300.5622 PRESSURE: 1981800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1981800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1981800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1981800 0 0 0 0 0 0 0 0 0 TIMING: 1981800 CPU: 7949.64, 0.00394179/step Wall: 7949.64, 0.00394179/step, 0.567398 hours remaining, 114.421875 MB of memory in use. ENERGY: 1981800 659.4144 1820.2843 1945.0407 107.0728 2.7051 -1077.2405 0.0000 0.0000 2693.8497 6151.1265 297.5432 3457.2768 6184.8372 298.4141 PRESSURE: 1982000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1982000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1982000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1982000 0 0 0 0 0 0 0 0 0 TIMING: 1982000 CPU: 7950.42, 0.00393712/step Wall: 7950.42, 0.00393712/step, 0.566508 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1982000 621.0661 1844.8427 1957.8527 117.8870 2.5526 -1079.0438 0.0000 0.0000 2718.9234 6184.0807 300.3127 3465.1573 6219.2398 296.2209 PRESSURE: 1982200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1982200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1982200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1982200 0 0 0 0 0 0 0 0 0 TIMING: 1982200 CPU: 7951.66, 0.00616032/step Wall: 7951.66, 0.00616032/step, 0.886059 hours remaining, 114.421875 MB of memory in use. ENERGY: 1982200 635.7909 1811.1773 1967.5149 123.3316 0.6120 -1062.3752 0.0000 0.0000 2685.8277 6161.8792 296.6571 3476.0515 6193.1973 299.4644 PRESSURE: 1982400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1982400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1982400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1982400 0 0 0 0 0 0 0 0 0 TIMING: 1982400 CPU: 7952.45, 0.00395907/step Wall: 7952.45, 0.00395907/step, 0.569227 hours remaining, 114.421875 MB of memory in use. ENERGY: 1982400 644.4156 1823.4806 1986.5671 106.2681 1.4374 -1091.3152 0.0000 0.0000 2670.8522 6141.7057 295.0031 3470.8535 6172.4999 296.3198 PRESSURE: 1982600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1982600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1982600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1982600 0 0 0 0 0 0 0 0 0 TIMING: 1982600 CPU: 7953.24, 0.00394174/step Wall: 7953.24, 0.00394174/step, 0.566515 hours remaining, 114.421875 MB of memory in use. ENERGY: 1982600 633.9234 1836.2640 1942.1828 113.1516 2.0003 -1044.8384 0.0000 0.0000 2647.5214 6130.2052 292.4261 3482.6838 6161.0295 295.9632 PRESSURE: 1982800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1982800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1982800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1982800 0 0 0 0 0 0 0 0 0 TIMING: 1982800 CPU: 7954.02, 0.0039408/step Wall: 7954.02, 0.0039408/step, 0.566161 hours remaining, 114.421875 MB of memory in use. ENERGY: 1982800 656.3071 1811.0151 1976.0462 112.0818 0.9150 -1069.5954 0.0000 0.0000 2663.1379 6149.9077 294.1510 3486.7698 6184.9478 294.9000 PRESSURE: 1983000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1983000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1983000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1983000 0 0 0 0 0 0 0 0 0 TIMING: 1983000 CPU: 7954.81, 0.00394179/step Wall: 7954.81, 0.00394179/step, 0.566085 hours remaining, 114.421875 MB of memory in use. ENERGY: 1983000 672.6781 1853.9801 1931.3655 98.4218 1.2173 -1056.8164 0.0000 0.0000 2677.7523 6178.5987 295.7652 3500.8463 6210.5789 297.0916 PRESSURE: 1983200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1983200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1983200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1983200 0 0 0 0 0 0 0 0 0 TIMING: 1983200 CPU: 7955.6, 0.00394238/step Wall: 7955.6, 0.00394238/step, 0.56595 hours remaining, 114.421875 MB of memory in use. ENERGY: 1983200 634.1173 1843.6768 1951.5767 98.5541 2.1751 -1084.2447 0.0000 0.0000 2747.2959 6193.1513 303.4465 3445.8554 6227.0183 298.4249 PRESSURE: 1983400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1983400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1983400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1983400 0 0 0 0 0 0 0 0 0 TIMING: 1983400 CPU: 7956.39, 0.00393598/step Wall: 7956.39, 0.00393598/step, 0.564813 hours remaining, 114.421875 MB of memory in use. ENERGY: 1983400 652.3146 1840.0855 1981.1287 115.6186 1.2702 -1084.3347 0.0000 0.0000 2750.5585 6256.6413 303.8068 3506.0828 6288.9502 300.4860 PRESSURE: 1983600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1983600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1983600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1983600 0 0 0 0 0 0 0 0 0 TIMING: 1983600 CPU: 7957.18, 0.00394323/step Wall: 7957.18, 0.00394323/step, 0.565635 hours remaining, 114.421875 MB of memory in use. ENERGY: 1983600 723.3043 1809.5798 1956.5044 102.9641 2.2787 -1084.2210 0.0000 0.0000 2750.5413 6260.9517 303.8050 3510.4103 6293.8729 302.6365 PRESSURE: 1983800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1983800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1983800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1983800 0 0 0 0 0 0 0 0 0 TIMING: 1983800 CPU: 7957.96, 0.00393973/step Wall: 7957.96, 0.00393973/step, 0.564913 hours remaining, 114.421875 MB of memory in use. ENERGY: 1983800 673.5114 1782.0996 1970.5227 119.3259 1.3800 -1071.4945 0.0000 0.0000 2755.7425 6231.0876 304.3794 3475.3451 6264.9685 301.0095 PRESSURE: 1984000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1984000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1984000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1984000 0 0 0 0 0 0 0 0 0 TIMING: 1984000 CPU: 7958.75, 0.0039422/step Wall: 7958.75, 0.0039422/step, 0.565049 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1984000 687.2443 1841.7773 1960.8092 96.3598 2.2736 -1062.9599 0.0000 0.0000 2686.3777 6211.8820 296.7179 3525.5043 6245.4678 300.8777 PRESSURE: 1984200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1984200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1984200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1984200 0 0 0 0 0 0 0 0 0 TIMING: 1984200 CPU: 7959.54, 0.00393758/step Wall: 7959.54, 0.00393758/step, 0.564168 hours remaining, 114.421875 MB of memory in use. ENERGY: 1984200 650.3140 1809.9234 1931.1914 107.2046 -0.0411 -1041.5230 0.0000 0.0000 2764.9801 6222.0494 305.3998 3457.0693 6257.5582 298.6229 LDB: ============= START OF LOAD BALANCING ============== 7962.5 LDB: ============== END OF LOAD BALANCING =============== 7962.5 LDB: =============== DONE WITH MIGRATION ================ 7962.5 LDB: ============= START OF LOAD BALANCING ============== 7962.89 LDB: ============== END OF LOAD BALANCING =============== 7962.89 LDB: =============== DONE WITH MIGRATION ================ 7962.89 PRESSURE: 1984400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1984400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1984400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1984400 0 0 0 0 0 0 0 0 0 TIMING: 1984400 CPU: 7960.33, 0.00394709/step Wall: 7960.33, 0.00394709/step, 0.565311 hours remaining, 114.421875 MB of memory in use. ENERGY: 1984400 678.9337 1853.0641 1961.8151 101.6643 2.0530 -1088.2111 0.0000 0.0000 2730.9001 6240.2190 301.6355 3509.3190 6273.8641 301.5264 PRESSURE: 1984600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1984600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1984600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1984600 0 0 0 0 0 0 0 0 0 TIMING: 1984600 CPU: 7961.12, 0.00394397/step Wall: 7961.12, 0.00394397/step, 0.564646 hours remaining, 114.421875 MB of memory in use. ENERGY: 1984600 716.4075 1852.1095 1956.2328 104.3583 0.3406 -1080.5222 0.0000 0.0000 2723.4094 6272.3359 300.8082 3548.9265 6303.8570 300.8919 PRESSURE: 1984800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1984800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1984800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1984800 0 0 0 0 0 0 0 0 0 TIMING: 1984800 CPU: 7961.91, 0.0039426/step Wall: 7961.91, 0.0039426/step, 0.56423 hours remaining, 114.421875 MB of memory in use. ENERGY: 1984800 656.9930 1930.7733 1969.6583 118.9169 0.6064 -1057.2632 0.0000 0.0000 2648.2995 6267.9842 292.5121 3619.6847 6297.6922 303.5828 PRESSURE: 1985000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1985000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1985000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1985000 0 0 0 0 0 0 0 0 0 TIMING: 1985000 CPU: 7962.7, 0.00394374/step Wall: 7962.7, 0.00394374/step, 0.564175 hours remaining, 114.421875 MB of memory in use. ENERGY: 1985000 618.2273 1820.7651 1951.5293 109.6786 0.3477 -1041.4083 0.0000 0.0000 2737.8363 6196.9760 302.4016 3459.1397 6232.4141 300.9165 PRESSURE: 1985200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1985200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1985200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1985200 0 0 0 0 0 0 0 0 0 TIMING: 1985200 CPU: 7963.49, 0.00395355/step Wall: 7963.49, 0.00395355/step, 0.565357 hours remaining, 114.421875 MB of memory in use. ENERGY: 1985200 643.6133 1870.5647 1962.6416 113.9777 0.7256 -1078.7987 0.0000 0.0000 2669.3921 6182.1164 294.8418 3512.7243 6210.5604 298.9899 PRESSURE: 1985400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1985400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1985400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1985400 0 0 0 0 0 0 0 0 0 TIMING: 1985400 CPU: 7964.28, 0.00395388/step Wall: 7964.28, 0.00395388/step, 0.565185 hours remaining, 114.421875 MB of memory in use. ENERGY: 1985400 683.5859 1808.8046 1973.3431 112.3527 -0.9937 -1080.1983 0.0000 0.0000 2668.8698 6165.7641 294.7841 3496.8943 6193.3963 297.9278 PRESSURE: 1985600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1985600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1985600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1985600 0 0 0 0 0 0 0 0 0 TIMING: 1985600 CPU: 7965.07, 0.00395833/step Wall: 7965.07, 0.00395833/step, 0.565601 hours remaining, 114.421875 MB of memory in use. ENERGY: 1985600 656.3605 1804.2280 1933.2037 104.0383 0.0038 -1078.3194 0.0000 0.0000 2770.8479 6190.3628 306.0479 3419.5149 6225.3393 298.2143 PRESSURE: 1985800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1985800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1985800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1985800 0 0 0 0 0 0 0 0 0 TIMING: 1985800 CPU: 7965.86, 0.00395028/step Wall: 7965.86, 0.00395028/step, 0.564232 hours remaining, 114.421875 MB of memory in use. ENERGY: 1985800 647.7003 1873.2744 1969.9729 105.4489 1.3020 -1058.0009 0.0000 0.0000 2704.6985 6244.3959 298.7415 3539.6974 6277.2580 299.9655 PRESSURE: 1986000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1986000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1986000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1986000 0 0 0 0 0 0 0 0 0 TIMING: 1986000 CPU: 7966.65, 0.00394704/step Wall: 7966.65, 0.00394704/step, 0.563549 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1986000 689.7759 1774.0054 1973.2700 113.3671 1.3209 -1064.6258 0.0000 0.0000 2780.1801 6267.2935 307.0786 3487.1134 6300.3211 302.9359 PRESSURE: 1986200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1986200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1986200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1986200 0 0 0 0 0 0 0 0 0 TIMING: 1986200 CPU: 7967.44, 0.00393854/step Wall: 7967.44, 0.00393854/step, 0.562118 hours remaining, 114.421875 MB of memory in use. ENERGY: 1986200 635.3483 1825.7606 1981.4454 129.8369 0.9650 -1036.3700 0.0000 0.0000 2680.2062 6217.1923 296.0362 3536.9861 6249.6447 302.4893 PRESSURE: 1986400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1986400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1986400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1986400 0 0 0 0 0 0 0 0 0 TIMING: 1986400 CPU: 7968.22, 0.0039436/step Wall: 7968.22, 0.0039436/step, 0.56262 hours remaining, 114.421875 MB of memory in use. ENERGY: 1986400 660.2623 1812.6430 1949.8806 113.0008 1.4188 -1062.9538 0.0000 0.0000 2692.5347 6166.7864 297.3980 3474.2517 6199.3970 299.5591 PRESSURE: 1986600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1986600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1986600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1986600 0 0 0 0 0 0 0 0 0 TIMING: 1986600 CPU: 7969.01, 0.00394365/step Wall: 7969.01, 0.00394365/step, 0.562408 hours remaining, 114.421875 MB of memory in use. ENERGY: 1986600 678.7425 1833.8707 1986.7703 110.6959 1.1372 -1107.0153 0.0000 0.0000 2708.8721 6213.0734 299.2025 3504.2013 6245.2926 299.0814 PRESSURE: 1986800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1986800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1986800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1986800 0 0 0 0 0 0 0 0 0 TIMING: 1986800 CPU: 7969.8, 0.00394302/step Wall: 7969.8, 0.00394302/step, 0.562099 hours remaining, 114.421875 MB of memory in use. ENERGY: 1986800 696.5701 1837.1691 1958.2310 109.7322 -0.9496 -1110.6375 0.0000 0.0000 2711.6245 6201.7398 299.5065 3490.1153 6235.5659 299.6220 PRESSURE: 1987000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1987000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1987000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1987000 0 0 0 0 0 0 0 0 0 TIMING: 1987000 CPU: 7970.59, 0.00394209/step Wall: 7970.59, 0.00394209/step, 0.561747 hours remaining, 114.421875 MB of memory in use. ENERGY: 1987000 653.7901 1841.6875 1953.5148 105.2778 1.0077 -1106.7623 0.0000 0.0000 2734.2189 6182.7345 302.0021 3448.5156 6215.0823 298.8906 PRESSURE: 1987200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1987200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1987200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1987200 0 0 0 0 0 0 0 0 0 TIMING: 1987200 CPU: 7971.38, 0.00393845/step Wall: 7971.38, 0.00393845/step, 0.56101 hours remaining, 114.421875 MB of memory in use. ENERGY: 1987200 651.1621 1778.2378 1979.1159 114.3365 0.1057 -1071.6011 0.0000 0.0000 2727.6681 6179.0251 301.2785 3451.3570 6214.3297 297.5107 PRESSURE: 1987400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1987400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1987400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1987400 0 0 0 0 0 0 0 0 0 TIMING: 1987400 CPU: 7972.17, 0.00394305/step Wall: 7972.17, 0.00394305/step, 0.561446 hours remaining, 114.421875 MB of memory in use. ENERGY: 1987400 725.3535 1806.2008 1965.4882 102.6597 1.6961 -1102.9735 0.0000 0.0000 2687.3922 6185.8169 296.8300 3498.4248 6219.9772 298.7313 PRESSURE: 1987600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1987600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1987600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1987600 0 0 0 0 0 0 0 0 0 TIMING: 1987600 CPU: 7972.96, 0.00394355/step Wall: 7972.96, 0.00394355/step, 0.561299 hours remaining, 114.421875 MB of memory in use. ENERGY: 1987600 650.5852 1835.3295 1976.9328 111.8035 -0.3689 -1083.2004 0.0000 0.0000 2701.6542 6192.7359 298.4052 3491.0817 6225.0841 297.6334 PRESSURE: 1987800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1987800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1987800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1987800 0 0 0 0 0 0 0 0 0 TIMING: 1987800 CPU: 7973.74, 0.00394246/step Wall: 7973.74, 0.00394246/step, 0.560924 hours remaining, 114.421875 MB of memory in use. ENERGY: 1987800 657.8731 1783.2104 1978.6196 104.7299 1.2431 -1074.9597 0.0000 0.0000 2702.6431 6153.3596 298.5145 3450.7164 6184.7967 296.8799 PRESSURE: 1988000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1988000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1988000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1988000 0 0 0 0 0 0 0 0 0 TIMING: 1988000 CPU: 7974.53, 0.00393707/step Wall: 7974.53, 0.00393707/step, 0.559939 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1988000 646.4238 1854.6019 1959.0658 113.0641 2.0746 -1064.7639 0.0000 0.0000 2698.2769 6208.7432 298.0322 3510.4664 6238.6745 298.1917 PRESSURE: 1988200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1988200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1988200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1988200 0 0 0 0 0 0 0 0 0 TIMING: 1988200 CPU: 7975.32, 0.00394256/step Wall: 7975.32, 0.00394256/step, 0.5605 hours remaining, 114.421875 MB of memory in use. ENERGY: 1988200 658.6230 1830.9877 1981.7035 111.0067 1.3114 -1087.6353 0.0000 0.0000 2734.0589 6230.0560 301.9844 3495.9971 6260.0963 300.9067 LDB: ============= START OF LOAD BALANCING ============== 7978.28 LDB: ============== END OF LOAD BALANCING =============== 7978.28 LDB: =============== DONE WITH MIGRATION ================ 7978.28 LDB: ============= START OF LOAD BALANCING ============== 7978.67 LDB: ============== END OF LOAD BALANCING =============== 7978.67 LDB: =============== DONE WITH MIGRATION ================ 7978.67 PRESSURE: 1988400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1988400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1988400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1988400 0 0 0 0 0 0 0 0 0 TIMING: 1988400 CPU: 7976.11, 0.00395032/step Wall: 7976.11, 0.00395032/step, 0.561384 hours remaining, 114.421875 MB of memory in use. ENERGY: 1988400 649.8846 1809.2686 1962.2769 102.8768 0.7667 -1080.3561 0.0000 0.0000 2763.7412 6208.4588 305.2629 3444.7176 6241.9709 299.6515 PRESSURE: 1988600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1988600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1988600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1988600 0 0 0 0 0 0 0 0 0 TIMING: 1988600 CPU: 7976.9, 0.00394354/step Wall: 7976.9, 0.00394354/step, 0.560202 hours remaining, 114.421875 MB of memory in use. ENERGY: 1988600 685.7344 1841.2924 1952.4830 102.7428 1.8863 -1086.7661 0.0000 0.0000 2696.9916 6194.3642 297.8902 3497.3726 6227.6117 297.3286 PRESSURE: 1988800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1988800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1988800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1988800 0 0 0 0 0 0 0 0 0 TIMING: 1988800 CPU: 7977.69, 0.00394475/step Wall: 7977.69, 0.00394475/step, 0.560154 hours remaining, 114.421875 MB of memory in use. ENERGY: 1988800 656.8442 1881.7803 1957.9992 105.6705 1.4326 -1080.6782 0.0000 0.0000 2676.3491 6199.3976 295.6102 3523.0485 6232.8633 298.7890 PRESSURE: 1989000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1989000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1989000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1989000 0 0 0 0 0 0 0 0 0 TIMING: 1989000 CPU: 7978.47, 0.00393767/step Wall: 7978.47, 0.00393767/step, 0.558931 hours remaining, 114.421875 MB of memory in use. ENERGY: 1989000 655.5482 1854.0590 1954.0868 106.3815 0.8226 -1060.7246 0.0000 0.0000 2751.5593 6261.7329 303.9174 3510.1736 6293.6049 300.6056 PRESSURE: 1989200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1989200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1989200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1989200 0 0 0 0 0 0 0 0 0 TIMING: 1989200 CPU: 7979.27, 0.00395086/step Wall: 7979.27, 0.00395086/step, 0.560583 hours remaining, 114.421875 MB of memory in use. ENERGY: 1989200 649.8439 1862.6961 1921.0348 110.0115 -0.2027 -1045.3216 0.0000 0.0000 2727.4345 6225.4965 301.2527 3498.0620 6259.7005 301.2983 PRESSURE: 1989400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1989400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1989400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1989400 0 0 0 0 0 0 0 0 0 TIMING: 1989400 CPU: 7980.05, 0.00394372/step Wall: 7980.05, 0.00394372/step, 0.55935 hours remaining, 114.421875 MB of memory in use. ENERGY: 1989400 702.6860 1866.3164 1986.8836 112.7991 -1.2821 -1113.9134 0.0000 0.0000 2661.5718 6215.0614 293.9780 3553.4896 6247.8696 299.9720 PRESSURE: 1989600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1989600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1989600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1989600 0 0 0 0 0 0 0 0 0 TIMING: 1989600 CPU: 7980.84, 0.00394192/step Wall: 7980.84, 0.00394192/step, 0.558877 hours remaining, 114.421875 MB of memory in use. ENERGY: 1989600 609.2177 1807.5369 1987.5907 105.6491 -0.7261 -1077.3949 0.0000 0.0000 2694.0923 6125.9656 297.5700 3431.8733 6158.2549 297.7864 PRESSURE: 1989800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1989800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1989800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1989800 0 0 0 0 0 0 0 0 0 TIMING: 1989800 CPU: 7981.63, 0.00394506/step Wall: 7981.63, 0.00394506/step, 0.559103 hours remaining, 114.421875 MB of memory in use. ENERGY: 1989800 649.7944 1871.7592 1958.5476 103.4896 0.7720 -1096.6227 0.0000 0.0000 2691.3602 6179.1004 297.2682 3487.7402 6210.1608 297.1535 PRESSURE: 1990000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1990000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1990000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1990000 0 0 0 0 0 0 0 0 0 TIMING: 1990000 CPU: 7982.42, 0.00393865/step Wall: 7982.42, 0.00393865/step, 0.557975 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1990000 659.7909 1834.7090 1948.1782 124.0715 0.6509 -1095.5896 0.0000 0.0000 2713.2846 6185.0954 299.6898 3471.8108 6217.4721 298.3547 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1990000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1990000 WRITING COORDINATES TO RESTART FILE AT STEP 1990000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1990000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1990200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1990200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1990200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1990200 0 0 0 0 0 0 0 0 0 TIMING: 1990200 CPU: 7983.25, 0.0041574/step Wall: 7983.25, 0.0041574/step, 0.588734 hours remaining, 114.421875 MB of memory in use. ENERGY: 1990200 651.3327 1828.1140 1981.5836 105.3195 -0.6514 -1117.3964 0.0000 0.0000 2724.1990 6172.5010 300.8954 3448.3020 6206.3044 300.6412 PRESSURE: 1990400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1990400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1990400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1990400 0 0 0 0 0 0 0 0 0 TIMING: 1990400 CPU: 7984.04, 0.00394181/step Wall: 7984.04, 0.00394181/step, 0.557985 hours remaining, 114.421875 MB of memory in use. ENERGY: 1990400 640.1380 1802.3107 1988.9109 114.5032 0.0521 -1096.4975 0.0000 0.0000 2721.8017 6171.2191 300.6306 3449.4174 6202.0270 299.9005 PRESSURE: 1990600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1990600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1990600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1990600 0 0 0 0 0 0 0 0 0 TIMING: 1990600 CPU: 7984.83, 0.00394245/step Wall: 7984.83, 0.00394245/step, 0.557856 hours remaining, 114.421875 MB of memory in use. ENERGY: 1990600 620.4565 1854.1063 1939.3245 101.9316 -0.7762 -1069.1842 0.0000 0.0000 2708.0878 6153.9463 299.1158 3445.8584 6189.3789 297.3666 PRESSURE: 1990800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1990800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1990800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1990800 0 0 0 0 0 0 0 0 0 TIMING: 1990800 CPU: 7985.62, 0.00394555/step Wall: 7985.62, 0.00394555/step, 0.558077 hours remaining, 114.421875 MB of memory in use. ENERGY: 1990800 668.0192 1831.4771 1944.8232 109.7246 0.6449 -1071.5036 0.0000 0.0000 2681.0614 6164.2469 296.1307 3483.1854 6196.0310 296.0316 PRESSURE: 1991000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1991000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1991000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1991000 0 0 0 0 0 0 0 0 0 TIMING: 1991000 CPU: 7987.34, 0.00860379/step Wall: 7987.34, 0.00860379/step, 1.21648 hours remaining, 114.421875 MB of memory in use. ENERGY: 1991000 646.7210 1815.6919 1965.4533 99.8256 -0.4946 -1080.7602 0.0000 0.0000 2667.8835 6114.3205 294.6752 3446.4371 6146.8330 295.9542 PRESSURE: 1991200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1991200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1991200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1991200 0 0 0 0 0 0 0 0 0 TIMING: 1991200 CPU: 7988.13, 0.00396785/step Wall: 7988.13, 0.00396785/step, 0.560789 hours remaining, 114.421875 MB of memory in use. ENERGY: 1991200 667.0414 1804.8088 1962.6056 98.7432 0.1584 -1103.9549 0.0000 0.0000 2678.5129 6107.9154 295.8492 3429.4026 6138.9792 294.9179 PRESSURE: 1991400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1991400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1991400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1991400 0 0 0 0 0 0 0 0 0 TIMING: 1991400 CPU: 7988.92, 0.00394513/step Wall: 7988.92, 0.00394513/step, 0.557359 hours remaining, 114.421875 MB of memory in use. ENERGY: 1991400 631.1640 1865.4764 1961.2686 106.6175 0.8025 -1083.8099 0.0000 0.0000 2686.6819 6168.2011 296.7515 3481.5192 6202.2036 295.9458 PRESSURE: 1991600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1991600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1991600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1991600 0 0 0 0 0 0 0 0 0 TIMING: 1991600 CPU: 7989.71, 0.00394768/step Wall: 7989.71, 0.00394768/step, 0.5575 hours remaining, 114.421875 MB of memory in use. ENERGY: 1991600 649.6184 1826.5281 1951.1284 105.1966 2.1808 -1097.3059 0.0000 0.0000 2705.7173 6143.0636 298.8540 3437.3463 6177.7985 296.2782 PRESSURE: 1991800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1991800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1991800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1991800 0 0 0 0 0 0 0 0 0 TIMING: 1991800 CPU: 7990.5, 0.00393976/step Wall: 7990.5, 0.00393977/step, 0.556164 hours remaining, 114.421875 MB of memory in use. ENERGY: 1991800 606.5728 1835.1830 1964.1269 109.3525 1.1673 -1078.8741 0.0000 0.0000 2703.4627 6140.9910 298.6050 3437.5283 6173.9102 296.9059 PRESSURE: 1992000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1992000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1992000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1992000 0 0 0 0 0 0 0 0 0 TIMING: 1992000 CPU: 7991.29, 0.00394857/step Wall: 7991.29, 0.00394857/step, 0.557187 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1992000 662.2343 1857.0069 1952.2068 117.9487 1.1390 -1118.6741 0.0000 0.0000 2729.0801 6200.9418 301.4345 3471.8617 6234.9751 298.7196 PRESSURE: 1992200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1992200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1992200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1992200 0 0 0 0 0 0 0 0 0 TIMING: 1992200 CPU: 7992.08, 0.00394508/step Wall: 7992.08, 0.00394508/step, 0.556476 hours remaining, 114.421875 MB of memory in use. ENERGY: 1992200 636.4172 1863.1694 1965.1693 107.5990 0.4680 -1079.0116 0.0000 0.0000 2726.7294 6220.5406 301.1749 3493.8112 6255.2164 298.7090 LDB: ============= START OF LOAD BALANCING ============== 7995.03 LDB: ============== END OF LOAD BALANCING =============== 7995.03 LDB: =============== DONE WITH MIGRATION ================ 7995.03 LDB: ============= START OF LOAD BALANCING ============== 7995.43 LDB: ============== END OF LOAD BALANCING =============== 7995.43 LDB: =============== DONE WITH MIGRATION ================ 7995.43 PRESSURE: 1992400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1992400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1992400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1992400 0 0 0 0 0 0 0 0 0 TIMING: 1992400 CPU: 7992.87, 0.00394789/step Wall: 7992.87, 0.00394789/step, 0.556653 hours remaining, 114.421875 MB of memory in use. ENERGY: 1992400 675.8963 1833.4195 1978.5620 108.8750 -0.6687 -1090.9648 0.0000 0.0000 2732.1054 6237.2247 301.7687 3505.1192 6268.6117 299.8293 PRESSURE: 1992600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1992600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1992600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1992600 0 0 0 0 0 0 0 0 0 TIMING: 1992600 CPU: 7993.65, 0.00394531/step Wall: 7993.65, 0.00394531/step, 0.556069 hours remaining, 114.421875 MB of memory in use. ENERGY: 1992600 667.1955 1862.0817 1964.9859 104.4019 0.2623 -1077.0444 0.0000 0.0000 2695.3130 6217.1960 297.7048 3521.8830 6251.6794 300.1475 PRESSURE: 1992800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1992800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1992800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1992800 0 0 0 0 0 0 0 0 0 TIMING: 1992800 CPU: 7994.44, 0.00393628/step Wall: 7994.44, 0.00393628/step, 0.554579 hours remaining, 114.421875 MB of memory in use. ENERGY: 1992800 638.3464 1788.3906 1968.9870 120.4425 -0.1548 -1095.6888 0.0000 0.0000 2765.2134 6185.5363 305.4255 3420.3229 6220.8381 299.0512 PRESSURE: 1993000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1993000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1993000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1993000 0 0 0 0 0 0 0 0 0 TIMING: 1993000 CPU: 7995.23, 0.0039423/step Wall: 7995.23, 0.0039423/step, 0.555207 hours remaining, 114.421875 MB of memory in use. ENERGY: 1993000 623.8358 1846.3838 1951.2628 117.2071 -0.7644 -1060.2653 0.0000 0.0000 2707.5750 6185.2347 299.0592 3477.6597 6218.9267 299.5326 PRESSURE: 1993200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1993200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1993200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1993200 0 0 0 0 0 0 0 0 0 TIMING: 1993200 CPU: 7996.02, 0.00394389/step Wall: 7996.02, 0.00394389/step, 0.555211 hours remaining, 114.421875 MB of memory in use. ENERGY: 1993200 660.0436 1877.3265 1951.7043 100.9452 -1.6549 -1105.3548 0.0000 0.0000 2701.9643 6184.9743 298.4395 3483.0100 6216.3539 298.7965 PRESSURE: 1993400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1993400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1993400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1993400 0 0 0 0 0 0 0 0 0 TIMING: 1993400 CPU: 7996.81, 0.00394401/step Wall: 7996.81, 0.00394401/step, 0.55501 hours remaining, 114.421875 MB of memory in use. ENERGY: 1993400 636.9090 1792.3363 1954.4726 118.8935 -0.4779 -1082.3773 0.0000 0.0000 2726.4609 6146.2170 301.1452 3419.7561 6180.7592 296.2012 PRESSURE: 1993600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1993600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1993600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1993600 0 0 0 0 0 0 0 0 0 TIMING: 1993600 CPU: 7997.6, 0.00393701/step Wall: 7997.6, 0.00393701/step, 0.553806 hours remaining, 114.421875 MB of memory in use. ENERGY: 1993600 681.4047 1853.3233 1931.3053 105.4044 -0.5148 -1070.0431 0.0000 0.0000 2701.4381 6202.3178 298.3814 3500.8798 6235.7413 297.5106 PRESSURE: 1993800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1993800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1993800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1993800 0 0 0 0 0 0 0 0 0 TIMING: 1993800 CPU: 7998.38, 0.00394346/step Wall: 7998.38, 0.00394346/step, 0.554494 hours remaining, 114.421875 MB of memory in use. ENERGY: 1993800 676.3834 1863.6362 1948.0055 102.0474 -0.2799 -1077.4012 0.0000 0.0000 2737.2831 6249.6745 302.3405 3512.3914 6283.4266 300.7674 PRESSURE: 1994000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1994000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1994000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1994000 0 0 0 0 0 0 0 0 0 TIMING: 1994000 CPU: 7999.17, 0.00394291/step Wall: 7999.17, 0.00394291/step, 0.554198 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1994000 666.8458 1876.1300 1946.9057 105.7430 0.8975 -1073.5907 0.0000 0.0000 2740.5162 6263.4476 302.6976 3522.9314 6297.5451 302.8409 PRESSURE: 1994200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1994200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1994200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1994200 0 0 0 0 0 0 0 0 0 TIMING: 1994200 CPU: 7999.96, 0.00394186/step Wall: 7999.96, 0.00394186/step, 0.553832 hours remaining, 114.421875 MB of memory in use. ENERGY: 1994200 657.9062 1902.9495 1939.7776 115.6131 0.4233 -1078.7868 0.0000 0.0000 2736.9984 6274.8812 302.3091 3537.8828 6305.8943 303.5650 PRESSURE: 1994400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1994400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1994400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1994400 0 0 0 0 0 0 0 0 0 TIMING: 1994400 CPU: 8000.75, 0.00394229/step Wall: 8000.75, 0.00394229/step, 0.553672 hours remaining, 114.421875 MB of memory in use. ENERGY: 1994400 630.4975 1873.3346 1983.1836 109.1656 0.0716 -1074.4780 0.0000 0.0000 2735.6266 6257.4016 302.1576 3521.7750 6289.4049 302.8450 PRESSURE: 1994600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1994600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1994600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1994600 0 0 0 0 0 0 0 0 0 TIMING: 1994600 CPU: 8001.54, 0.0039368/step Wall: 8001.54, 0.0039368/step, 0.552683 hours remaining, 114.421875 MB of memory in use. ENERGY: 1994600 635.3868 1842.2436 1970.5645 112.2852 -0.1804 -1099.6612 0.0000 0.0000 2783.3414 6243.9799 307.4278 3460.6385 6281.5579 302.0908 PRESSURE: 1994800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1994800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1994800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1994800 0 0 0 0 0 0 0 0 0 TIMING: 1994800 CPU: 8002.33, 0.00394271/step Wall: 8002.33, 0.00394271/step, 0.553293 hours remaining, 114.421875 MB of memory in use. ENERGY: 1994800 627.9768 1897.1038 1965.1993 118.5967 -0.3537 -1073.8230 0.0000 0.0000 2727.9161 6262.6159 301.3059 3534.6998 6295.1173 301.1100 PRESSURE: 1995000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1995000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1995000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1995000 0 0 0 0 0 0 0 0 0 TIMING: 1995000 CPU: 8003.11, 0.00394533/step Wall: 8003.11, 0.00394533/step, 0.553442 hours remaining, 114.421875 MB of memory in use. ENERGY: 1995000 649.0464 1902.6571 1956.0430 98.3313 -0.9247 -1096.0472 0.0000 0.0000 2712.7509 6221.8569 299.6309 3509.1060 6253.5018 302.0599 PRESSURE: 1995200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1995200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1995200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1995200 0 0 0 0 0 0 0 0 0 TIMING: 1995200 CPU: 8003.9, 0.00394281/step Wall: 8003.9, 0.00394281/step, 0.55287 hours remaining, 114.421875 MB of memory in use. ENERGY: 1995200 665.1259 1905.1420 1979.3404 110.5128 -0.0553 -1110.4760 0.0000 0.0000 2749.7060 6299.2959 303.7127 3549.5899 6331.4179 303.9406 PRESSURE: 1995400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1995400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1995400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1995400 0 0 0 0 0 0 0 0 0 TIMING: 1995400 CPU: 8004.69, 0.00394369/step Wall: 8004.69, 0.00394369/step, 0.552775 hours remaining, 114.421875 MB of memory in use. ENERGY: 1995400 653.2371 1910.8964 1960.8407 104.1522 0.2015 -1066.5865 0.0000 0.0000 2699.9315 6262.6729 298.2150 3562.7414 6295.3562 303.6167 PRESSURE: 1995600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1995600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1995600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1995600 0 0 0 0 0 0 0 0 0 TIMING: 1995600 CPU: 8005.48, 0.0039368/step Wall: 8005.48, 0.0039368/step, 0.551589 hours remaining, 114.421875 MB of memory in use. ENERGY: 1995600 635.6626 1859.8445 1960.1968 108.3913 0.0245 -1026.7589 0.0000 0.0000 2717.7463 6255.1071 300.1827 3537.3607 6289.6991 302.9685 PRESSURE: 1995800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1995800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1995800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1995800 0 0 0 0 0 0 0 0 0 TIMING: 1995800 CPU: 8006.27, 0.00394281/step Wall: 8006.27, 0.00394281/step, 0.552212 hours remaining, 114.421875 MB of memory in use. ENERGY: 1995800 643.4165 1844.1707 1992.9470 105.0629 -0.1129 -1077.8785 0.0000 0.0000 2711.6369 6219.2426 299.5079 3507.6057 6250.6308 301.2945 PRESSURE: 1996000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1996000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1996000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1996000 0 0 0 0 0 0 0 0 0 TIMING: 1996000 CPU: 8007.06, 0.00394253/step Wall: 8007.06, 0.00394253/step, 0.551954 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1996000 657.8451 1853.4957 1961.4755 112.5465 0.1890 -1086.1307 0.0000 0.0000 2790.8141 6290.2353 308.2532 3499.4212 6325.4636 302.3280 PRESSURE: 1996200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1996200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1996200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1996200 0 0 0 0 0 0 0 0 0 TIMING: 1996200 CPU: 8007.84, 0.00394216/step Wall: 8007.84, 0.00394216/step, 0.551684 hours remaining, 114.421875 MB of memory in use. ENERGY: 1996200 672.8484 1852.5743 1955.3784 120.7872 0.8900 -1077.4891 0.0000 0.0000 2752.3831 6277.3724 304.0084 3524.9893 6311.7614 303.4256 LDB: ============= START OF LOAD BALANCING ============== 8010.8 LDB: ============== END OF LOAD BALANCING =============== 8010.8 LDB: =============== DONE WITH MIGRATION ================ 8010.8 LDB: ============= START OF LOAD BALANCING ============== 8011.2 LDB: ============== END OF LOAD BALANCING =============== 8011.2 LDB: =============== DONE WITH MIGRATION ================ 8011.2 PRESSURE: 1996400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1996400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1996400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1996400 0 0 0 0 0 0 0 0 0 TIMING: 1996400 CPU: 8008.63, 0.00393962/step Wall: 8008.63, 0.00393962/step, 0.551108 hours remaining, 114.421875 MB of memory in use. ENERGY: 1996400 647.4379 1848.2029 1941.7798 114.7840 1.4660 -1063.1668 0.0000 0.0000 2800.6520 6291.1558 309.3398 3490.5038 6327.2686 304.2957 PRESSURE: 1996600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1996600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1996600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1996600 0 0 0 0 0 0 0 0 0 TIMING: 1996600 CPU: 8009.42, 0.0039424/step Wall: 8009.42, 0.0039424/step, 0.551278 hours remaining, 114.421875 MB of memory in use. ENERGY: 1996600 679.5546 1860.0791 1971.4317 118.3767 1.8086 -1053.3483 0.0000 0.0000 2757.5252 6335.4278 304.5763 3577.9026 6365.5409 306.6622 PRESSURE: 1996800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1996800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1996800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1996800 0 0 0 0 0 0 0 0 0 TIMING: 1996800 CPU: 8010.21, 0.00394192/step Wall: 8010.21, 0.00394192/step, 0.550993 hours remaining, 114.421875 MB of memory in use. ENERGY: 1996800 651.5210 1865.3690 1950.3681 102.7761 0.9464 -1059.4307 0.0000 0.0000 2828.0745 6339.6244 312.3687 3511.5500 6374.8473 306.2468 PRESSURE: 1997000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1997000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1997000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1997000 0 0 0 0 0 0 0 0 0 TIMING: 1997000 CPU: 8011, 0.00394367/step Wall: 8011, 0.00394367/step, 0.551018 hours remaining, 114.421875 MB of memory in use. ENERGY: 1997000 652.3359 1856.6503 1951.6771 117.5282 1.9525 -1062.5797 0.0000 0.0000 2789.0494 6306.6137 308.0583 3517.5643 6343.8782 307.0305 PRESSURE: 1997200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1997200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1997200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1997200 0 0 0 0 0 0 0 0 0 TIMING: 1997200 CPU: 8011.79, 0.00394279/step Wall: 8011.79, 0.00394279/step, 0.550676 hours remaining, 114.421875 MB of memory in use. ENERGY: 1997200 632.4083 1843.0573 1954.2922 117.9604 1.0047 -1031.7967 0.0000 0.0000 2680.8789 6197.8051 296.1105 3516.9262 6232.5901 301.8917 PRESSURE: 1997400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1997400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1997400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1997400 0 0 0 0 0 0 0 0 0 TIMING: 1997400 CPU: 8012.57, 0.00393709/step Wall: 8012.57, 0.00393709/step, 0.549661 hours remaining, 114.421875 MB of memory in use. ENERGY: 1997400 620.8269 1789.9805 1982.3922 104.9597 3.0137 -1052.4779 0.0000 0.0000 2750.2219 6198.9169 303.7697 3448.6950 6233.0461 300.0247 PRESSURE: 1997600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1997600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1997600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1997600 0 0 0 0 0 0 0 0 0 TIMING: 1997600 CPU: 8013.36, 0.00394535/step Wall: 8013.36, 0.00394535/step, 0.550595 hours remaining, 114.421875 MB of memory in use. ENERGY: 1997600 660.0135 1839.0172 1969.3704 104.2906 2.1198 -1082.2027 0.0000 0.0000 2689.5272 6182.1359 297.0658 3492.6088 6214.4429 300.0556 PRESSURE: 1997800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1997800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1997800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1997800 0 0 0 0 0 0 0 0 0 TIMING: 1997800 CPU: 8014.15, 0.00394337/step Wall: 8014.15, 0.00394337/step, 0.5501 hours remaining, 114.421875 MB of memory in use. ENERGY: 1997800 662.8909 1859.2257 1939.8798 103.5629 1.2891 -1072.3037 0.0000 0.0000 2706.6992 6201.2440 298.9625 3494.5448 6233.4432 301.1953 PRESSURE: 1998000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1998000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1998000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1998000 0 0 0 0 0 0 0 0 0 TIMING: 1998000 CPU: 8014.94, 0.00394374/step Wall: 8014.94, 0.00394373/step, 0.549931 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1998000 681.6724 1897.8257 1942.9142 101.4567 2.4164 -1095.9034 0.0000 0.0000 2715.2667 6245.6487 299.9088 3530.3820 6277.5935 300.3865 PRESSURE: 1998200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1998200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1998200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1998200 0 0 0 0 0 0 0 0 0 TIMING: 1998200 CPU: 8015.73, 0.00394357/step Wall: 8015.73, 0.00394357/step, 0.54969 hours remaining, 114.421875 MB of memory in use. ENERGY: 1998200 647.1166 1843.5759 1985.2991 112.7592 0.7537 -1084.3363 0.0000 0.0000 2736.7203 6241.8885 302.2784 3505.1682 6277.7997 302.4256 PRESSURE: 1998400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1998400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1998400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1998400 0 0 0 0 0 0 0 0 0 TIMING: 1998400 CPU: 8016.52, 0.00393819/step Wall: 8016.52, 0.00393819/step, 0.548721 hours remaining, 114.421875 MB of memory in use. ENERGY: 1998400 633.0623 1884.0438 1956.1178 106.8473 -0.2217 -1056.6150 0.0000 0.0000 2733.4067 6256.6412 301.9124 3523.2344 6286.6620 302.1412 PRESSURE: 1998600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1998600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1998600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1998600 0 0 0 0 0 0 0 0 0 TIMING: 1998600 CPU: 8017.31, 0.00394598/step Wall: 8017.31, 0.00394598/step, 0.549587 hours remaining, 114.421875 MB of memory in use. ENERGY: 1998600 646.8933 1866.7126 1949.8403 114.4049 0.8144 -1043.2408 0.0000 0.0000 2736.6608 6272.0855 302.2718 3535.4247 6304.2723 303.0685 PRESSURE: 1998800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1998800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1998800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1998800 0 0 0 0 0 0 0 0 0 TIMING: 1998800 CPU: 8018.09, 0.00394392/step Wall: 8018.09, 0.00394392/step, 0.549081 hours remaining, 114.421875 MB of memory in use. ENERGY: 1998800 676.2657 1890.4563 1983.1539 105.6769 0.7177 -1101.5128 0.0000 0.0000 2742.9971 6297.7548 302.9717 3554.7577 6332.0213 301.9061 PRESSURE: 1999000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1999000 0 0 0 0 0 0 0 0 0 PRESSAVG: 1999000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1999000 0 0 0 0 0 0 0 0 0 TIMING: 1999000 CPU: 8018.89, 0.00395077/step Wall: 8018.89, 0.00395077/step, 0.549816 hours remaining, 114.421875 MB of memory in use. ENERGY: 1999000 663.1212 1880.4117 1965.8912 102.9137 0.5477 -1041.0309 0.0000 0.0000 2728.4712 6300.3257 301.3672 3571.8545 6332.2367 303.2298 PRESSURE: 1999200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1999200 0 0 0 0 0 0 0 0 0 PRESSAVG: 1999200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1999200 0 0 0 0 0 0 0 0 0 TIMING: 1999200 CPU: 8019.67, 0.0039391/step Wall: 8019.67, 0.0039391/step, 0.547973 hours remaining, 114.421875 MB of memory in use. ENERGY: 1999200 673.3371 1876.4356 1966.7487 103.7638 1.4823 -1064.6826 0.0000 0.0000 2790.0331 6347.1179 308.1669 3557.0848 6382.0615 306.2640 PRESSURE: 1999400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1999400 0 0 0 0 0 0 0 0 0 PRESSAVG: 1999400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1999400 0 0 0 0 0 0 0 0 0 TIMING: 1999400 CPU: 8020.46, 0.00394162/step Wall: 8020.46, 0.00394162/step, 0.548104 hours remaining, 114.421875 MB of memory in use. ENERGY: 1999400 705.9176 1870.7045 1959.0726 113.4927 0.9339 -1121.5712 0.0000 0.0000 2740.4868 6269.0368 302.6944 3528.5500 6302.7325 303.9705 PRESSURE: 1999600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1999600 0 0 0 0 0 0 0 0 0 PRESSAVG: 1999600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1999600 0 0 0 0 0 0 0 0 0 TIMING: 1999600 CPU: 8021.4, 0.00471651/step Wall: 8021.4, 0.00471651/step, 0.655595 hours remaining, 114.421875 MB of memory in use. ENERGY: 1999600 689.1888 1848.2057 1955.7632 99.5494 2.0594 -1073.5453 0.0000 0.0000 2713.1702 6234.3914 299.6772 3521.2212 6265.1685 302.2268 PRESSURE: 1999800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1999800 0 0 0 0 0 0 0 0 0 PRESSAVG: 1999800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 1999800 0 0 0 0 0 0 0 0 0 TIMING: 1999800 CPU: 8022.2, 0.003957/step Wall: 8022.2, 0.003957/step, 0.549804 hours remaining, 114.421875 MB of memory in use. ENERGY: 1999800 629.6285 1832.8549 1966.6401 98.8672 1.2009 -1051.5334 0.0000 0.0000 2710.9654 6188.6236 299.4337 3477.6582 6223.5948 299.9851 PRESSURE: 2000000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2000000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2000000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2000000 0 0 0 0 0 0 0 0 0 TIMING: 2000000 CPU: 8022.98, 0.00394115/step Wall: 8022.98, 0.00394115/step, 0.547383 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2000000 634.3887 1873.7979 1943.2271 98.6608 2.6062 -1074.9921 0.0000 0.0000 2701.5092 6179.1978 298.3892 3477.6886 6212.1079 300.2532 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2000200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2000200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2000200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2000200 0 0 0 0 0 0 0 0 0 TIMING: 2000200 CPU: 8023.81, 0.00411913/step Wall: 8023.81, 0.00411913/step, 0.571872 hours remaining, 114.421875 MB of memory in use. ENERGY: 2000200 698.9677 1848.0466 1957.1734 100.1981 1.9723 -1097.4524 0.0000 0.0000 2644.1624 6153.0680 292.0551 3508.9056 6182.3102 296.0738 LDB: ============= START OF LOAD BALANCING ============== 8026.77 LDB: ============== END OF LOAD BALANCING =============== 8026.77 LDB: =============== DONE WITH MIGRATION ================ 8026.77 LDB: ============= START OF LOAD BALANCING ============== 8027.16 LDB: ============== END OF LOAD BALANCING =============== 8027.16 LDB: =============== DONE WITH MIGRATION ================ 8027.16 PRESSURE: 2000400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2000400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2000400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2000400 0 0 0 0 0 0 0 0 0 TIMING: 2000400 CPU: 8024.6, 0.00394253/step Wall: 8024.6, 0.00394253/step, 0.547135 hours remaining, 114.421875 MB of memory in use. ENERGY: 2000400 672.5898 1821.4181 1932.5152 98.5931 2.1409 -1104.5622 0.0000 0.0000 2761.9275 6184.6224 305.0626 3422.6949 6218.3669 296.5677 PRESSURE: 2000600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2000600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2000600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2000600 0 0 0 0 0 0 0 0 0 TIMING: 2000600 CPU: 8025.39, 0.0039513/step Wall: 8025.39, 0.0039513/step, 0.548133 hours remaining, 114.421875 MB of memory in use. ENERGY: 2000600 648.0287 1806.7456 1966.5870 118.1726 1.0172 -1081.8615 0.0000 0.0000 2660.4838 6119.1735 293.8578 3458.6897 6151.2043 297.6152 PRESSURE: 2000800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2000800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2000800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2000800 0 0 0 0 0 0 0 0 0 TIMING: 2000800 CPU: 8026.18, 0.00394588/step Wall: 8026.18, 0.00394588/step, 0.547162 hours remaining, 114.421875 MB of memory in use. ENERGY: 2000800 645.8067 1832.1351 1937.6739 115.1867 0.9591 -1085.4871 0.0000 0.0000 2671.7809 6118.0552 295.1056 3446.2744 6149.4772 295.3828 PRESSURE: 2001000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2001000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2001000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2001000 0 0 0 0 0 0 0 0 0 TIMING: 2001000 CPU: 8026.96, 0.00394356/step Wall: 8026.96, 0.00394356/step, 0.546621 hours remaining, 114.421875 MB of memory in use. ENERGY: 2001000 657.1710 1819.6344 1935.8858 104.9332 2.3067 -1086.7559 0.0000 0.0000 2734.2207 6167.3960 302.0023 3433.1752 6202.2831 295.6476 PRESSURE: 2001200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2001200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2001200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2001200 0 0 0 0 0 0 0 0 0 TIMING: 2001200 CPU: 8027.75, 0.00394369/step Wall: 8027.75, 0.00394369/step, 0.54642 hours remaining, 114.421875 MB of memory in use. ENERGY: 2001200 638.8040 1853.9042 1934.5155 96.9112 2.6512 -1067.9206 0.0000 0.0000 2730.6110 6189.4765 301.6036 3458.8655 6221.8659 298.0412 PRESSURE: 2001400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2001400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2001400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2001400 0 0 0 0 0 0 0 0 0 TIMING: 2001400 CPU: 8028.54, 0.00393769/step Wall: 8028.54, 0.00393769/step, 0.54537 hours remaining, 114.421875 MB of memory in use. ENERGY: 2001400 680.2651 1857.4904 1942.4808 103.4370 1.2746 -1087.5329 0.0000 0.0000 2633.6511 6131.0661 290.8941 3497.4150 6160.1923 297.5756 PRESSURE: 2001600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2001600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2001600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2001600 0 0 0 0 0 0 0 0 0 TIMING: 2001600 CPU: 8029.33, 0.00394276/step Wall: 8029.33, 0.00394276/step, 0.545853 hours remaining, 114.421875 MB of memory in use. ENERGY: 2001600 632.3413 1821.4011 1940.7425 110.9046 2.4635 -1056.7754 0.0000 0.0000 2647.8248 6098.9023 292.4596 3451.0775 6130.7093 294.7535 PRESSURE: 2001800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2001800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2001800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2001800 0 0 0 0 0 0 0 0 0 TIMING: 2001800 CPU: 8030.12, 0.00394315/step Wall: 8030.12, 0.00394315/step, 0.545688 hours remaining, 114.421875 MB of memory in use. ENERGY: 2001800 687.7509 1822.5372 1952.1787 112.9576 2.6977 -1113.5820 0.0000 0.0000 2621.5036 6086.0438 289.5524 3464.5402 6117.8762 295.5988 PRESSURE: 2002000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2002000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2002000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2002000 0 0 0 0 0 0 0 0 0 TIMING: 2002000 CPU: 8030.91, 0.00394136/step Wall: 8030.91, 0.00394136/step, 0.545222 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2002000 625.0815 1775.0830 1942.8205 121.8352 3.7931 -1085.2992 0.0000 0.0000 2706.0546 6089.3688 298.8913 3383.3142 6125.2480 294.3339 PRESSURE: 2002200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2002200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2002200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2002200 0 0 0 0 0 0 0 0 0 TIMING: 2002200 CPU: 8031.69, 0.00393793/step Wall: 8031.69, 0.00393793/step, 0.544528 hours remaining, 114.421875 MB of memory in use. ENERGY: 2002200 644.6954 1857.5307 1960.3748 121.2105 2.0073 -1101.1527 0.0000 0.0000 2643.1036 6127.7696 291.9382 3484.6660 6156.5330 294.5000 PRESSURE: 2002400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2002400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2002400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2002400 0 0 0 0 0 0 0 0 0 TIMING: 2002400 CPU: 8032.48, 0.00394111/step Wall: 8032.48, 0.00394111/step, 0.544749 hours remaining, 114.421875 MB of memory in use. ENERGY: 2002400 666.4601 1830.4997 1937.8956 99.2397 2.0863 -1063.1675 0.0000 0.0000 2677.1796 6150.1935 295.7019 3473.0139 6183.9061 297.3890 PRESSURE: 2002600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2002600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2002600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2002600 0 0 0 0 0 0 0 0 0 TIMING: 2002600 CPU: 8033.27, 0.00394172/step Wall: 8033.27, 0.00394172/step, 0.544615 hours remaining, 114.421875 MB of memory in use. ENERGY: 2002600 632.3827 1825.9089 1968.3251 107.8961 1.5613 -1122.2307 0.0000 0.0000 2725.7770 6139.6203 301.0697 3413.8434 6175.9746 296.4280 PRESSURE: 2002800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2002800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2002800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2002800 0 0 0 0 0 0 0 0 0 TIMING: 2002800 CPU: 8034.06, 0.00394108/step Wall: 8034.06, 0.00394108/step, 0.544306 hours remaining, 114.421875 MB of memory in use. ENERGY: 2002800 616.9491 1831.7637 1986.0150 94.8145 1.8185 -1102.3978 0.0000 0.0000 2704.4062 6133.3693 298.7092 3428.9631 6165.2134 296.1567 PRESSURE: 2003000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2003000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2003000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2003000 0 0 0 0 0 0 0 0 0 TIMING: 2003000 CPU: 8034.85, 0.00394181/step Wall: 8034.85, 0.00394181/step, 0.544189 hours remaining, 114.421875 MB of memory in use. ENERGY: 2003000 652.1718 1817.2996 1962.4927 98.4372 0.9638 -1086.9913 0.0000 0.0000 2675.1201 6119.4939 295.4745 3444.3738 6153.7804 295.4507 PRESSURE: 2003200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2003200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2003200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2003200 0 0 0 0 0 0 0 0 0 TIMING: 2003200 CPU: 8035.63, 0.00393824/step Wall: 8035.63, 0.00393824/step, 0.543478 hours remaining, 114.421875 MB of memory in use. ENERGY: 2003200 633.7884 1871.1503 1964.7413 99.8719 0.0102 -1134.9340 0.0000 0.0000 2693.6819 6128.3100 297.5247 3434.6281 6163.5841 296.3997 PRESSURE: 2003400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2003400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2003400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2003400 0 0 0 0 0 0 0 0 0 TIMING: 2003400 CPU: 8036.42, 0.00394225/step Wall: 8036.42, 0.00394225/step, 0.543812 hours remaining, 114.421875 MB of memory in use. ENERGY: 2003400 642.7627 1863.3891 1948.9684 104.0789 0.9565 -1120.5978 0.0000 0.0000 2705.0446 6144.6025 298.7797 3439.5579 6175.4262 296.7741 PRESSURE: 2003600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2003600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2003600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2003600 0 0 0 0 0 0 0 0 0 TIMING: 2003600 CPU: 8037.21, 0.00394304/step Wall: 8037.21, 0.00394304/step, 0.543701 hours remaining, 114.421875 MB of memory in use. ENERGY: 2003600 666.9592 1840.7068 1942.5469 112.6928 1.4414 -1105.7777 0.0000 0.0000 2756.0569 6214.6263 304.4142 3458.5694 6245.4203 297.6261 PRESSURE: 2003800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2003800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2003800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2003800 0 0 0 0 0 0 0 0 0 TIMING: 2003800 CPU: 8038, 0.00394306/step Wall: 8038, 0.00394306/step, 0.543486 hours remaining, 114.421875 MB of memory in use. ENERGY: 2003800 651.5220 1834.1177 1964.2576 121.0894 -0.1647 -1083.0386 0.0000 0.0000 2767.7781 6255.5616 305.7088 3487.7835 6288.1076 300.5975 PRESSURE: 2004000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2004000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2004000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2004000 0 0 0 0 0 0 0 0 0 TIMING: 2004000 CPU: 8038.79, 0.00394358/step Wall: 8038.79, 0.00394358/step, 0.543337 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2004000 648.1418 1824.6327 1937.8737 114.2829 -0.3592 -1085.9446 0.0000 0.0000 2758.7875 6197.4148 304.7158 3438.6273 6232.5765 301.1465 PRESSURE: 2004200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2004200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2004200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2004200 0 0 0 0 0 0 0 0 0 TIMING: 2004200 CPU: 8039.58, 0.0039384/step Wall: 8039.58, 0.0039384/step, 0.542405 hours remaining, 114.421875 MB of memory in use. ENERGY: 2004200 674.1058 1836.3198 1969.2392 109.6390 0.5839 -1124.2793 0.0000 0.0000 2702.2789 6167.8873 298.4742 3465.6084 6202.8136 298.5358 LDB: ============= START OF LOAD BALANCING ============== 8042.54 LDB: ============== END OF LOAD BALANCING =============== 8042.54 LDB: =============== DONE WITH MIGRATION ================ 8042.54 LDB: ============= START OF LOAD BALANCING ============== 8042.93 LDB: ============== END OF LOAD BALANCING =============== 8042.93 LDB: =============== DONE WITH MIGRATION ================ 8042.93 PRESSURE: 2004400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2004400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2004400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2004400 0 0 0 0 0 0 0 0 0 TIMING: 2004400 CPU: 8040.37, 0.00394843/step Wall: 8040.37, 0.00394843/step, 0.543567 hours remaining, 114.421875 MB of memory in use. ENERGY: 2004400 654.4379 1836.5710 1964.6924 108.9737 0.1453 -1070.8619 0.0000 0.0000 2682.9126 6176.8710 296.3352 3493.9584 6207.4829 298.0792 PRESSURE: 2004600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2004600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2004600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2004600 0 0 0 0 0 0 0 0 0 TIMING: 2004600 CPU: 8041.16, 0.00394577/step Wall: 8041.16, 0.00394576/step, 0.542981 hours remaining, 114.421875 MB of memory in use. ENERGY: 2004600 645.2381 1858.5962 1940.8547 104.2462 2.0263 -1073.3770 0.0000 0.0000 2669.3375 6146.9220 294.8358 3477.5845 6181.7139 296.5343 PRESSURE: 2004800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2004800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2004800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2004800 0 0 0 0 0 0 0 0 0 TIMING: 2004800 CPU: 8041.94, 0.00394184/step Wall: 8041.94, 0.00394185/step, 0.542223 hours remaining, 114.421875 MB of memory in use. ENERGY: 2004800 676.2140 1774.4469 1943.0937 111.3415 0.9786 -1079.4374 0.0000 0.0000 2714.2611 6140.8985 299.7977 3426.6374 6175.4821 296.0902 PRESSURE: 2005000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2005000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2005000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2005000 0 0 0 0 0 0 0 0 0 TIMING: 2005000 CPU: 8042.73, 0.00394238/step Wall: 8042.73, 0.00394238/step, 0.542078 hours remaining, 114.421875 MB of memory in use. ENERGY: 2005000 663.5541 1822.6871 1942.8280 115.9507 1.4823 -1100.7938 0.0000 0.0000 2662.6033 6108.3118 294.0920 3445.7084 6141.2598 294.3886 PRESSURE: 2005200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2005200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2005200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2005200 0 0 0 0 0 0 0 0 0 TIMING: 2005200 CPU: 8043.52, 0.00393978/step Wall: 8043.52, 0.00393978/step, 0.5415 hours remaining, 114.421875 MB of memory in use. ENERGY: 2005200 662.5377 1841.3295 1977.5852 106.9064 1.7170 -1123.4814 0.0000 0.0000 2675.9912 6142.5856 295.5707 3466.5943 6173.5554 293.8738 PRESSURE: 2005400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2005400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2005400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2005400 0 0 0 0 0 0 0 0 0 TIMING: 2005400 CPU: 8044.31, 0.00394227/step Wall: 8044.31, 0.00394226/step, 0.541623 hours remaining, 114.421875 MB of memory in use. ENERGY: 2005400 642.2498 1820.0108 1944.2477 113.5454 2.1925 -1092.9925 0.0000 0.0000 2677.7565 6107.0102 295.7657 3429.2537 6141.4318 296.5921 PRESSURE: 2005600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2005600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2005600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2005600 0 0 0 0 0 0 0 0 0 TIMING: 2005600 CPU: 8045.1, 0.00394161/step Wall: 8045.1, 0.00394162/step, 0.541316 hours remaining, 114.421875 MB of memory in use. ENERGY: 2005600 653.4325 1823.2388 1941.0791 100.3286 0.9503 -1076.7406 0.0000 0.0000 2619.3766 6061.6652 289.3174 3442.2886 6092.5931 292.7469 PRESSURE: 2005800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2005800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2005800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2005800 0 0 0 0 0 0 0 0 0 TIMING: 2005800 CPU: 8045.89, 0.00394157/step Wall: 8045.89, 0.00394157/step, 0.54109 hours remaining, 114.421875 MB of memory in use. ENERGY: 2005800 638.3051 1824.5587 1964.2488 106.6110 1.4733 -1098.7330 0.0000 0.0000 2667.2325 6103.6963 294.6033 3436.4639 6137.5271 295.0802 PRESSURE: 2006000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2006000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2006000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2006000 0 0 0 0 0 0 0 0 0 TIMING: 2006000 CPU: 8046.67, 0.00393972/step Wall: 8046.67, 0.00393972/step, 0.540617 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2006000 659.8020 1820.2009 1943.5116 117.9242 1.8605 -1107.3440 0.0000 0.0000 2681.2977 6117.2529 296.1568 3435.9552 6148.9665 294.4935 PRESSURE: 2006200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2006200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2006200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2006200 0 0 0 0 0 0 0 0 0 TIMING: 2006200 CPU: 8047.46, 0.00394111/step Wall: 8047.46, 0.00394111/step, 0.540588 hours remaining, 114.421875 MB of memory in use. ENERGY: 2006200 619.2812 1844.1264 1955.1957 103.6961 0.6293 -1089.1066 0.0000 0.0000 2602.8370 6036.6591 287.4906 3433.8221 6067.5334 293.7867 PRESSURE: 2006400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2006400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2006400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2006400 0 0 0 0 0 0 0 0 0 TIMING: 2006400 CPU: 8048.25, 0.00394178/step Wall: 8048.25, 0.00394178/step, 0.540462 hours remaining, 114.421875 MB of memory in use. ENERGY: 2006400 616.7549 1790.6439 1965.7291 109.5259 1.1796 -1112.4132 0.0000 0.0000 2679.1916 6050.6120 295.9242 3371.4204 6086.0661 291.6422 PRESSURE: 2006600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2006600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2006600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2006600 0 0 0 0 0 0 0 0 0 TIMING: 2006600 CPU: 8049.04, 0.00394172/step Wall: 8049.04, 0.00394172/step, 0.540235 hours remaining, 114.421875 MB of memory in use. ENERGY: 2006600 641.2834 1795.4469 1940.6070 119.6592 1.4965 -1105.5897 0.0000 0.0000 2682.8702 6075.7735 296.3305 3392.9033 6109.9070 292.0292 PRESSURE: 2006800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2006800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2006800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2006800 0 0 0 0 0 0 0 0 0 TIMING: 2006800 CPU: 8049.83, 0.00394302/step Wall: 8049.83, 0.00394302/step, 0.540194 hours remaining, 114.421875 MB of memory in use. ENERGY: 2006800 644.6741 1806.4416 1974.9803 104.2547 1.5569 -1154.1616 0.0000 0.0000 2730.1625 6107.9085 301.5541 3377.7460 6142.3170 294.4653 PRESSURE: 2007000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2007000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2007000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2007000 0 0 0 0 0 0 0 0 0 TIMING: 2007000 CPU: 8050.61, 0.00393911/step Wall: 8050.61, 0.00393911/step, 0.539439 hours remaining, 114.421875 MB of memory in use. ENERGY: 2007000 681.5150 1813.8894 1943.2795 96.8526 -0.1277 -1117.1626 0.0000 0.0000 2700.8317 6119.0778 298.3144 3418.2461 6152.2238 293.5031 PRESSURE: 2007200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2007200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2007200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2007200 0 0 0 0 0 0 0 0 0 TIMING: 2007200 CPU: 8051.4, 0.00394239/step Wall: 8051.4, 0.00394239/step, 0.539669 hours remaining, 114.421875 MB of memory in use. ENERGY: 2007200 629.2803 1793.0510 1947.6030 89.1093 -0.7792 -1066.7622 0.0000 0.0000 2708.9577 6100.4599 299.2119 3391.5022 6136.2138 294.1111 PRESSURE: 2007400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2007400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2007400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2007400 0 0 0 0 0 0 0 0 0 TIMING: 2007400 CPU: 8052.19, 0.00393912/step Wall: 8052.19, 0.00393912/step, 0.539003 hours remaining, 114.421875 MB of memory in use. ENERGY: 2007400 617.4564 1849.0849 1948.0002 104.2801 0.2818 -1088.1304 0.0000 0.0000 2690.4243 6121.3973 297.1649 3430.9730 6156.5714 294.5142 PRESSURE: 2007600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2007600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2007600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2007600 0 0 0 0 0 0 0 0 0 TIMING: 2007600 CPU: 8052.98, 0.00394089/step Wall: 8052.98, 0.00394089/step, 0.539026 hours remaining, 114.421875 MB of memory in use. ENERGY: 2007600 639.4396 1830.4523 1957.6572 116.0141 0.3673 -1082.4250 0.0000 0.0000 2669.9882 6131.4937 294.9076 3461.5055 6165.1969 296.6869 PRESSURE: 2007800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2007800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2007800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2007800 0 0 0 0 0 0 0 0 0 TIMING: 2007800 CPU: 8053.77, 0.00394163/step Wall: 8053.77, 0.00394162/step, 0.538907 hours remaining, 114.421875 MB of memory in use. ENERGY: 2007800 657.8295 1802.3743 1961.3070 100.4512 1.9453 -1110.0765 0.0000 0.0000 2696.3016 6110.1323 297.8140 3413.8307 6142.5845 295.8299 PRESSURE: 2008000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2008000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2008000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2008000 0 0 0 0 0 0 0 0 0 TIMING: 2008000 CPU: 8054.56, 0.00393913/step Wall: 8054.56, 0.00393914/step, 0.538348 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2008000 641.1924 1821.4142 1999.5800 112.2612 0.3303 -1066.4536 0.0000 0.0000 2659.3654 6167.6900 293.7343 3508.3245 6202.2949 294.7606 PRESSURE: 2008200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2008200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2008200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2008200 0 0 0 0 0 0 0 0 0 TIMING: 2008200 CPU: 8055.34, 0.00394101/step Wall: 8055.34, 0.00394101/step, 0.538385 hours remaining, 114.421875 MB of memory in use. ENERGY: 2008200 668.0535 1799.0003 1958.5113 116.3943 0.2397 -1104.5784 0.0000 0.0000 2736.1438 6173.7644 302.2147 3437.6206 6206.9650 296.6102 LDB: ============= START OF LOAD BALANCING ============== 8058.3 LDB: ============== END OF LOAD BALANCING =============== 8058.3 LDB: =============== DONE WITH MIGRATION ================ 8058.3 LDB: ============= START OF LOAD BALANCING ============== 8058.7 LDB: ============== END OF LOAD BALANCING =============== 8060.71 LDB: =============== DONE WITH MIGRATION ================ 8060.71 PRESSURE: 2008400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2008400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2008400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2008400 0 0 0 0 0 0 0 0 0 TIMING: 2008400 CPU: 8058.15, 0.0140216/step Wall: 8058.15, 0.0140216/step, 1.91472 hours remaining, 114.421875 MB of memory in use. ENERGY: 2008400 641.8339 1838.2995 1954.0474 96.4757 0.7879 -1051.8298 0.0000 0.0000 2725.2378 6204.8525 301.0101 3479.6147 6239.2538 297.8474 PRESSURE: 2008600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2008600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2008600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2008600 0 0 0 0 0 0 0 0 0 TIMING: 2008600 CPU: 8058.94, 0.00396335/step Wall: 8058.94, 0.00396335/step, 0.540997 hours remaining, 114.421875 MB of memory in use. ENERGY: 2008600 624.4465 1839.0810 1985.9374 98.4321 2.3380 -1050.0498 0.0000 0.0000 2755.0309 6255.2162 304.3008 3500.1853 6289.7511 299.5054 PRESSURE: 2008800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2008800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2008800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2008800 0 0 0 0 0 0 0 0 0 TIMING: 2008800 CPU: 8059.73, 0.00393899/step Wall: 8059.73, 0.00393899/step, 0.537453 hours remaining, 114.421875 MB of memory in use. ENERGY: 2008800 665.5577 1848.9323 1934.8480 116.4806 1.9255 -1071.5020 0.0000 0.0000 2700.2471 6196.4891 298.2498 3496.2420 6228.6796 302.0618 PRESSURE: 2009000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2009000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2009000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2009000 0 0 0 0 0 0 0 0 0 TIMING: 2009000 CPU: 8060.52, 0.00394231/step Wall: 8060.52, 0.00394231/step, 0.537688 hours remaining, 114.421875 MB of memory in use. ENERGY: 2009000 671.5260 1774.1558 1937.2788 106.2556 2.0256 -1035.9854 0.0000 0.0000 2722.7852 6178.0417 300.7392 3455.2564 6212.4681 298.9668 PRESSURE: 2009200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2009200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2009200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2009200 0 0 0 0 0 0 0 0 0 TIMING: 2009200 CPU: 8061.31, 0.00394377/step Wall: 8061.31, 0.00394377/step, 0.537667 hours remaining, 114.421875 MB of memory in use. ENERGY: 2009200 645.3938 1854.2603 1962.7614 109.8267 1.3512 -1094.2363 0.0000 0.0000 2732.9875 6212.3446 301.8661 3479.3571 6247.2941 297.7212 PRESSURE: 2009400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2009400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2009400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2009400 0 0 0 0 0 0 0 0 0 TIMING: 2009400 CPU: 8062.09, 0.00394144/step Wall: 8062.09, 0.00394144/step, 0.537131 hours remaining, 114.421875 MB of memory in use. ENERGY: 2009400 671.1549 1855.5805 1984.9165 113.7042 -0.2899 -1100.3384 0.0000 0.0000 2715.0611 6239.7888 299.8861 3524.7277 6273.2884 300.5874 PRESSURE: 2009600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2009600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2009600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2009600 0 0 0 0 0 0 0 0 0 TIMING: 2009600 CPU: 8062.88, 0.00394284/step Wall: 8062.88, 0.00394284/step, 0.537102 hours remaining, 114.421875 MB of memory in use. ENERGY: 2009600 679.4788 1873.3578 1955.3733 119.3589 -0.3881 -1086.5980 0.0000 0.0000 2703.5914 6244.1740 298.6192 3540.5826 6278.0661 299.6900 PRESSURE: 2009800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2009800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2009800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2009800 0 0 0 0 0 0 0 0 0 TIMING: 2009800 CPU: 8063.67, 0.00394056/step Wall: 8063.67, 0.00394056/step, 0.536574 hours remaining, 114.421875 MB of memory in use. ENERGY: 2009800 668.2428 1853.3964 2004.5033 106.0091 1.0996 -1061.8176 0.0000 0.0000 2744.7167 6316.1504 303.1616 3571.4337 6349.6615 302.7407 PRESSURE: 2010000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2010000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2010000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2010000 0 0 0 0 0 0 0 0 0 TIMING: 2010000 CPU: 8064.46, 0.00394307/step Wall: 8064.46, 0.00394307/step, 0.536696 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2010000 633.9196 1889.7424 1990.6134 103.1225 0.4471 -1056.8624 0.0000 0.0000 2726.4700 6287.4527 301.1462 3560.9826 6320.4893 303.4788 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2010000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2010000 WRITING COORDINATES TO RESTART FILE AT STEP 2010000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2010000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2010200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2010200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2010200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2010200 0 0 0 0 0 0 0 0 0 TIMING: 2010200 CPU: 8068.7, 0.0212195/step Wall: 8068.7, 0.0212195/step, 2.88703 hours remaining, 114.421875 MB of memory in use. ENERGY: 2010200 659.5694 1855.3708 1932.1806 107.5332 1.3596 -1100.4747 0.0000 0.0000 2723.5646 6179.1036 300.8253 3455.5390 6213.9867 299.7451 PRESSURE: 2010400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2010400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2010400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2010400 0 0 0 0 0 0 0 0 0 TIMING: 2010400 CPU: 8069.49, 0.00394182/step Wall: 8069.49, 0.00394182/step, 0.536088 hours remaining, 114.421875 MB of memory in use. ENERGY: 2010400 682.8356 1866.5815 1960.7581 117.1652 1.1309 -1084.7211 0.0000 0.0000 2654.5068 6198.2570 293.1977 3543.7502 6227.9383 297.7790 PRESSURE: 2010600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2010600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2010600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2010600 0 0 0 0 0 0 0 0 0 TIMING: 2010600 CPU: 8070.28, 0.00394053/step Wall: 8070.28, 0.00394053/step, 0.535692 hours remaining, 114.421875 MB of memory in use. ENERGY: 2010600 666.8353 1871.1008 1969.8889 125.4369 1.1172 -1058.9594 0.0000 0.0000 2660.0317 6235.4515 293.8079 3575.4197 6268.5886 300.0733 PRESSURE: 2010800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2010800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2010800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2010800 0 0 0 0 0 0 0 0 0 TIMING: 2010800 CPU: 8071.07, 0.00394243/step Wall: 8071.07, 0.00394243/step, 0.535732 hours remaining, 114.421875 MB of memory in use. ENERGY: 2010800 633.7945 1857.2991 1964.4824 109.4001 2.0213 -1065.3279 0.0000 0.0000 2730.8896 6232.5591 301.6344 3501.6695 6266.4078 300.7495 PRESSURE: 2011000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2011000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2011000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2011000 0 0 0 0 0 0 0 0 0 TIMING: 2011000 CPU: 8071.86, 0.00393981/step Wall: 8071.86, 0.00393981/step, 0.535157 hours remaining, 114.421875 MB of memory in use. ENERGY: 2011000 680.0627 1917.8152 1975.9978 108.0571 1.7066 -1103.0545 0.0000 0.0000 2677.2408 6257.8256 295.7087 3580.5848 6290.0176 300.0675 PRESSURE: 2011200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2011200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2011200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2011200 0 0 0 0 0 0 0 0 0 TIMING: 2011200 CPU: 8072.64, 0.0039374/step Wall: 8072.64, 0.0039374/step, 0.534612 hours remaining, 114.421875 MB of memory in use. ENERGY: 2011200 685.9856 1851.2147 1973.3935 108.7637 1.2223 -1076.2727 0.0000 0.0000 2742.5578 6286.8649 302.9232 3544.3071 6320.9683 302.0029 PRESSURE: 2011400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2011400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2011400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2011400 0 0 0 0 0 0 0 0 0 TIMING: 2011400 CPU: 8073.43, 0.00394124/step Wall: 8073.43, 0.00394124/step, 0.534914 hours remaining, 114.421875 MB of memory in use. ENERGY: 2011400 659.5591 1879.8563 1957.6737 105.5086 1.4946 -1081.8234 0.0000 0.0000 2752.5648 6274.8336 304.0285 3522.2688 6308.9153 302.7557 PRESSURE: 2011600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2011600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2011600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2011600 0 0 0 0 0 0 0 0 0 TIMING: 2011600 CPU: 8074.22, 0.00393996/step Wall: 8074.22, 0.00393996/step, 0.534521 hours remaining, 114.421875 MB of memory in use. ENERGY: 2011600 684.6762 1837.2652 1974.4553 112.0824 1.2633 -1075.4151 0.0000 0.0000 2693.9132 6228.2405 297.5502 3534.3273 6263.0120 300.1232 PRESSURE: 2011800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2011800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2011800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2011800 0 0 0 0 0 0 0 0 0 TIMING: 2011800 CPU: 8075.01, 0.00393937/step Wall: 8075.01, 0.00393937/step, 0.534223 hours remaining, 114.421875 MB of memory in use. ENERGY: 2011800 668.7393 1916.6054 1950.5702 111.6020 0.8248 -1121.7184 0.0000 0.0000 2744.6098 6271.2332 303.1498 3526.6234 6305.8852 301.9831 PRESSURE: 2012000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2012000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2012000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2012000 0 0 0 0 0 0 0 0 0 TIMING: 2012000 CPU: 8075.8, 0.00393949/step Wall: 8075.8, 0.00393949/step, 0.534019 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2012000 650.1663 1854.9480 1945.4856 98.6053 2.0971 -1052.1286 0.0000 0.0000 2756.2226 6255.3962 304.4325 3499.1736 6290.0456 301.9096 PRESSURE: 2012200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2012200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2012200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2012200 0 0 0 0 0 0 0 0 0 TIMING: 2012200 CPU: 8076.58, 0.00393819/step Wall: 8076.58, 0.00393819/step, 0.533625 hours remaining, 114.421875 MB of memory in use. ENERGY: 2012200 651.1829 1872.1292 1987.1635 107.4299 2.9777 -1089.4027 0.0000 0.0000 2714.2877 6245.7682 299.8006 3531.4805 6273.8403 302.5683 LDB: ============= START OF LOAD BALANCING ============== 8079.54 LDB: ============== END OF LOAD BALANCING =============== 8079.54 LDB: =============== DONE WITH MIGRATION ================ 8079.54 LDB: ============= START OF LOAD BALANCING ============== 8079.94 LDB: ============== END OF LOAD BALANCING =============== 8079.94 LDB: =============== DONE WITH MIGRATION ================ 8079.94 PRESSURE: 2012400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2012400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2012400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2012400 0 0 0 0 0 0 0 0 0 TIMING: 2012400 CPU: 8077.37, 0.00394582/step Wall: 8077.37, 0.00394582/step, 0.534439 hours remaining, 114.421875 MB of memory in use. ENERGY: 2012400 623.8308 1832.5362 1993.3764 110.5331 2.2713 -1063.0007 0.0000 0.0000 2737.1295 6236.6764 302.3236 3499.5470 6272.0382 300.5410 PRESSURE: 2012600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2012600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2012600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2012600 0 0 0 0 0 0 0 0 0 TIMING: 2012600 CPU: 8078.16, 0.00394137/step Wall: 8078.16, 0.00394137/step, 0.533618 hours remaining, 114.421875 MB of memory in use. ENERGY: 2012600 631.0623 1887.5592 1949.6845 106.8129 2.8935 -1077.3303 0.0000 0.0000 2671.0000 6171.6820 295.0194 3500.6820 6202.4378 298.4593 PRESSURE: 2012800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2012800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2012800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2012800 0 0 0 0 0 0 0 0 0 TIMING: 2012800 CPU: 8078.95, 0.00393968/step Wall: 8078.95, 0.00393968/step, 0.53317 hours remaining, 114.421875 MB of memory in use. ENERGY: 2012800 681.5759 1906.1391 1949.4158 117.4703 3.2378 -1125.9536 0.0000 0.0000 2689.9544 6221.8397 297.1130 3531.8853 6252.6036 299.4527 PRESSURE: 2013000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2013000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2013000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2013000 0 0 0 0 0 0 0 0 0 TIMING: 2013000 CPU: 8079.74, 0.0039377/step Wall: 8079.74, 0.0039377/step, 0.532683 hours remaining, 114.421875 MB of memory in use. ENERGY: 2013000 647.2130 1860.5288 1964.7995 111.1200 0.1946 -1092.1569 0.0000 0.0000 2709.5158 6201.2149 299.2736 3491.6992 6236.5744 300.1240 PRESSURE: 2013200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2013200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2013200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2013200 0 0 0 0 0 0 0 0 0 TIMING: 2013200 CPU: 8080.52, 0.00394121/step Wall: 8080.52, 0.00394121/step, 0.53294 hours remaining, 114.421875 MB of memory in use. ENERGY: 2013200 696.0272 1794.2763 1950.7949 104.8687 1.4541 -1081.9718 0.0000 0.0000 2717.5253 6182.9747 300.1582 3465.4494 6215.5487 299.9253 PRESSURE: 2013400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2013400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2013400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2013400 0 0 0 0 0 0 0 0 0 TIMING: 2013400 CPU: 8081.31, 0.00394388/step Wall: 8081.31, 0.00394388/step, 0.533081 hours remaining, 114.421875 MB of memory in use. ENERGY: 2013400 681.1265 1867.6671 1961.5747 101.8986 1.0472 -1117.9418 0.0000 0.0000 2693.7481 6189.1203 297.5320 3495.3722 6223.1819 299.2525 PRESSURE: 2013600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2013600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2013600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2013600 0 0 0 0 0 0 0 0 0 TIMING: 2013600 CPU: 8082.1, 0.00394181/step Wall: 8082.1, 0.00394181/step, 0.532582 hours remaining, 114.421875 MB of memory in use. ENERGY: 2013600 676.1832 1861.5823 1962.2421 101.9156 0.4370 -1084.8306 0.0000 0.0000 2738.8645 6256.3941 302.5152 3517.5296 6287.6241 300.2652 PRESSURE: 2013800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2013800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2013800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2013800 0 0 0 0 0 0 0 0 0 TIMING: 2013800 CPU: 8082.89, 0.00394035/step Wall: 8082.89, 0.00394035/step, 0.532165 hours remaining, 114.421875 MB of memory in use. ENERGY: 2013800 632.5176 1827.6107 1951.1510 105.9509 1.2692 -1075.0693 0.0000 0.0000 2717.9757 6161.4057 300.2080 3443.4300 6196.3450 300.9724 PRESSURE: 2014000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2014000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2014000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2014000 0 0 0 0 0 0 0 0 0 TIMING: 2014000 CPU: 8083.68, 0.00394018/step Wall: 8083.68, 0.00394018/step, 0.531925 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2014000 660.4956 1848.2785 1947.4538 107.1034 2.0851 -1103.6148 0.0000 0.0000 2713.1568 6174.9583 299.6757 3461.8015 6208.2676 296.5497 PRESSURE: 2014200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2014200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2014200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2014200 0 0 0 0 0 0 0 0 0 TIMING: 2014200 CPU: 8084.47, 0.00394313/step Wall: 8084.47, 0.00394313/step, 0.532104 hours remaining, 114.421875 MB of memory in use. ENERGY: 2014200 631.5997 1798.8808 1973.2510 120.3401 0.8369 -1105.2999 0.0000 0.0000 2766.8313 6186.4399 305.6042 3419.6086 6222.2800 297.8106 PRESSURE: 2014400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2014400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2014400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2014400 0 0 0 0 0 0 0 0 0 TIMING: 2014400 CPU: 8085.26, 0.00395286/step Wall: 8085.26, 0.00395286/step, 0.533197 hours remaining, 114.421875 MB of memory in use. ENERGY: 2014400 644.5419 1851.2560 1946.7686 116.8794 -0.0070 -1082.9972 0.0000 0.0000 2696.8353 6173.2771 297.8730 3476.4417 6203.1800 297.9218 PRESSURE: 2014600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2014600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2014600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2014600 0 0 0 0 0 0 0 0 0 TIMING: 2014600 CPU: 8086.05, 0.00394529/step Wall: 8086.05, 0.00394529/step, 0.531956 hours remaining, 114.421875 MB of memory in use. ENERGY: 2014600 657.4993 1874.9208 1952.4522 104.2819 1.4169 -1085.7899 0.0000 0.0000 2740.9847 6245.7659 302.7494 3504.7812 6281.7770 300.6684 PRESSURE: 2014800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2014800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2014800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2014800 0 0 0 0 0 0 0 0 0 TIMING: 2014800 CPU: 8086.83, 0.00394428/step Wall: 8086.83, 0.00394428/step, 0.531601 hours remaining, 114.421875 MB of memory in use. ENERGY: 2014800 663.1392 1878.6842 1957.4812 102.6550 0.7071 -1087.0906 0.0000 0.0000 2723.2296 6238.8055 300.7883 3515.5759 6276.3242 302.6220 PRESSURE: 2015000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2015000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2015000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2015000 0 0 0 0 0 0 0 0 0 TIMING: 2015000 CPU: 8087.62, 0.0039389/step Wall: 8087.62, 0.00393889/step, 0.530657 hours remaining, 114.421875 MB of memory in use. ENERGY: 2015000 657.5755 1889.5360 1969.6869 112.0953 1.1116 -1088.5088 0.0000 0.0000 2728.8566 6270.3532 301.4098 3541.4965 6300.0277 302.9822 PRESSURE: 2015200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2015200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2015200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2015200 0 0 0 0 0 0 0 0 0 TIMING: 2015200 CPU: 8088.41, 0.00394126/step Wall: 8088.41, 0.00394126/step, 0.530756 hours remaining, 114.421875 MB of memory in use. ENERGY: 2015200 663.5098 1901.2479 1916.8789 106.5423 1.6262 -1097.1560 0.0000 0.0000 2744.2144 6236.8635 303.1061 3492.6491 6272.7169 303.2847 PRESSURE: 2015400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2015400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2015400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2015400 0 0 0 0 0 0 0 0 0 TIMING: 2015400 CPU: 8089.2, 0.00394104/step Wall: 8089.2, 0.00394104/step, 0.530508 hours remaining, 114.421875 MB of memory in use. ENERGY: 2015400 637.8933 1882.6011 1945.3028 91.1617 0.8127 -1119.6849 0.0000 0.0000 2749.6020 6187.6888 303.7012 3438.0868 6222.6267 300.5859 PRESSURE: 2015600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2015600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2015600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2015600 0 0 0 0 0 0 0 0 0 TIMING: 2015600 CPU: 8089.99, 0.00394132/step Wall: 8089.99, 0.00394132/step, 0.530326 hours remaining, 114.421875 MB of memory in use. ENERGY: 2015600 670.7632 1866.3362 1921.6515 93.7246 2.4112 -1125.4942 0.0000 0.0000 2763.6108 6193.0032 305.2485 3429.3925 6226.3541 300.7499 PRESSURE: 2015800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2015800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2015800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2015800 0 0 0 0 0 0 0 0 0 TIMING: 2015800 CPU: 8091.83, 0.00921295/step Wall: 8091.83, 0.00921295/step, 1.23914 hours remaining, 114.421875 MB of memory in use. ENERGY: 2015800 628.8752 1854.8941 1933.6188 99.7052 2.0935 -1117.2794 0.0000 0.0000 2740.9424 6142.8498 302.7447 3401.9074 6177.1134 298.0449 PRESSURE: 2016000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2016000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2016000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2016000 0 0 0 0 0 0 0 0 0 TIMING: 2016000 CPU: 8092.63, 0.0039779/step Wall: 8092.63, 0.0039779/step, 0.534806 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2016000 658.8466 1831.1022 1930.1248 104.6706 0.3833 -1086.4638 0.0000 0.0000 2724.4885 6163.1522 300.9273 3438.6637 6197.2072 296.8731 PRESSURE: 2016200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2016200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2016200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2016200 0 0 0 0 0 0 0 0 0 TIMING: 2016200 CPU: 8093.41, 0.00394276/step Wall: 8093.41, 0.00394276/step, 0.529864 hours remaining, 114.421875 MB of memory in use. ENERGY: 2016200 645.0256 1825.7123 1968.7311 112.3939 1.6097 -1098.8173 0.0000 0.0000 2686.4343 6141.0896 296.7241 3454.6553 6173.6337 297.1024 LDB: ============= START OF LOAD BALANCING ============== 8096.37 LDB: ============== END OF LOAD BALANCING =============== 8096.37 LDB: =============== DONE WITH MIGRATION ================ 8096.37 LDB: ============= START OF LOAD BALANCING ============== 8096.77 LDB: ============== END OF LOAD BALANCING =============== 8096.77 LDB: =============== DONE WITH MIGRATION ================ 8096.77 PRESSURE: 2016400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2016400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2016400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2016400 0 0 0 0 0 0 0 0 0 TIMING: 2016400 CPU: 8094.2, 0.00394618/step Wall: 8094.2, 0.00394618/step, 0.530103 hours remaining, 114.421875 MB of memory in use. ENERGY: 2016400 599.6555 1920.1252 1967.2622 114.3158 2.3228 -1062.5032 0.0000 0.0000 2708.1952 6249.3736 299.1277 3541.1784 6281.4699 297.6483 PRESSURE: 2016600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2016600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2016600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2016600 0 0 0 0 0 0 0 0 0 TIMING: 2016600 CPU: 8094.99, 0.00394248/step Wall: 8094.99, 0.00394248/step, 0.529387 hours remaining, 114.421875 MB of memory in use. ENERGY: 2016600 631.7759 1843.6843 1969.5487 115.3974 1.2703 -1048.5113 0.0000 0.0000 2702.4945 6215.6598 298.4980 3513.1653 6248.0722 301.8644 PRESSURE: 2016800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2016800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2016800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2016800 0 0 0 0 0 0 0 0 0 TIMING: 2016800 CPU: 8095.78, 0.00393795/step Wall: 8095.78, 0.00393795/step, 0.52856 hours remaining, 114.421875 MB of memory in use. ENERGY: 2016800 630.1342 1900.0734 1939.3369 103.7985 3.4957 -1076.4536 0.0000 0.0000 2728.1250 6228.5102 301.3290 3500.3852 6259.7438 300.6225 PRESSURE: 2017000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2017000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2017000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2017000 0 0 0 0 0 0 0 0 0 TIMING: 2017000 CPU: 8096.57, 0.00394272/step Wall: 8096.57, 0.00394272/step, 0.528982 hours remaining, 114.421875 MB of memory in use. ENERGY: 2017000 654.2232 1852.3479 1978.2206 112.9747 2.4617 -1115.7721 0.0000 0.0000 2718.3947 6202.8507 300.2543 3484.4560 6235.9246 298.7160 PRESSURE: 2017200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2017200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2017200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2017200 0 0 0 0 0 0 0 0 0 TIMING: 2017200 CPU: 8097.36, 0.00394266/step Wall: 8097.36, 0.00394266/step, 0.528755 hours remaining, 114.421875 MB of memory in use. ENERGY: 2017200 632.5553 1833.1468 1955.8289 113.2198 2.1609 -1088.8082 0.0000 0.0000 2744.1958 6192.2993 303.1041 3448.1035 6225.3689 299.7788 PRESSURE: 2017400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2017400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2017400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2017400 0 0 0 0 0 0 0 0 0 TIMING: 2017400 CPU: 8098.14, 0.00394078/step Wall: 8098.14, 0.00394078/step, 0.528283 hours remaining, 114.421875 MB of memory in use. ENERGY: 2017400 635.1313 1887.0643 1948.7102 107.4951 1.5443 -1100.7887 0.0000 0.0000 2687.2532 6166.4097 296.8146 3479.1564 6198.2431 298.9270 PRESSURE: 2017600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2017600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2017600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2017600 0 0 0 0 0 0 0 0 0 TIMING: 2017600 CPU: 8098.93, 0.00394919/step Wall: 8098.93, 0.00394919/step, 0.529192 hours remaining, 114.421875 MB of memory in use. ENERGY: 2017600 651.0131 1867.0716 1953.2705 117.3033 1.2244 -1091.9998 0.0000 0.0000 2641.6104 6139.4936 291.7732 3497.8832 6174.8231 297.6521 PRESSURE: 2017800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2017800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2017800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2017800 0 0 0 0 0 0 0 0 0 TIMING: 2017800 CPU: 8099.72, 0.00394072/step Wall: 8099.72, 0.00394072/step, 0.527837 hours remaining, 114.421875 MB of memory in use. ENERGY: 2017800 633.9869 1896.6450 1933.6743 111.6493 1.7984 -1112.3142 0.0000 0.0000 2718.3321 6183.7718 300.2474 3465.4397 6215.3420 298.4885 PRESSURE: 2018000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2018000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2018000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2018000 0 0 0 0 0 0 0 0 0 TIMING: 2018000 CPU: 8100.51, 0.00394158/step Wall: 8100.51, 0.00394158/step, 0.527734 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2018000 680.4788 1832.9123 1935.5807 106.9619 1.8296 -1055.8069 0.0000 0.0000 2681.0222 6182.9786 296.1264 3501.9564 6213.7576 298.7961 PRESSURE: 2018200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2018200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2018200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2018200 0 0 0 0 0 0 0 0 0 TIMING: 2018200 CPU: 8101.3, 0.00394415/step Wall: 8101.3, 0.00394415/step, 0.527859 hours remaining, 114.421875 MB of memory in use. ENERGY: 2018200 648.1222 1873.5881 1959.6578 91.6967 1.4882 -1050.2343 0.0000 0.0000 2694.3283 6218.6470 297.5961 3524.3188 6250.3349 298.4438 PRESSURE: 2018400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2018400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2018400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2018400 0 0 0 0 0 0 0 0 0 TIMING: 2018400 CPU: 8102.09, 0.00394178/step Wall: 8102.09, 0.00394178/step, 0.527323 hours remaining, 114.421875 MB of memory in use. ENERGY: 2018400 659.7389 1839.3760 1949.1008 112.6252 1.1174 -1062.1459 0.0000 0.0000 2717.5602 6217.3726 300.1621 3499.8124 6251.0643 298.3619 PRESSURE: 2018600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2018600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2018600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2018600 0 0 0 0 0 0 0 0 0 TIMING: 2018600 CPU: 8102.88, 0.00394248/step Wall: 8102.88, 0.00394248/step, 0.527197 hours remaining, 114.421875 MB of memory in use. ENERGY: 2018600 638.0094 1884.9752 1992.5116 111.6403 0.6092 -1103.0212 0.0000 0.0000 2690.9252 6215.6498 297.2202 3524.7246 6246.2610 299.0855 PRESSURE: 2018800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2018800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2018800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2018800 0 0 0 0 0 0 0 0 0 TIMING: 2018800 CPU: 8103.66, 0.00394129/step Wall: 8103.66, 0.00394129/step, 0.526819 hours remaining, 114.421875 MB of memory in use. ENERGY: 2018800 656.6590 1857.3756 1992.9815 104.6540 0.1573 -1092.9994 0.0000 0.0000 2702.2238 6221.0519 298.4681 3518.8281 6251.6337 298.1122 PRESSURE: 2019000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2019000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2019000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2019000 0 0 0 0 0 0 0 0 0 TIMING: 2019000 CPU: 8104.45, 0.00394175/step Wall: 8104.45, 0.00394175/step, 0.526662 hours remaining, 114.421875 MB of memory in use. ENERGY: 2019000 663.1945 1867.5218 1996.8448 102.2767 1.2785 -1126.8146 0.0000 0.0000 2682.0158 6186.3176 296.2361 3504.3017 6218.1535 298.4771 PRESSURE: 2019200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2019200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2019200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2019200 0 0 0 0 0 0 0 0 0 TIMING: 2019200 CPU: 8105.24, 0.00394227/step Wall: 8105.24, 0.00394227/step, 0.526511 hours remaining, 114.421875 MB of memory in use. ENERGY: 2019200 675.7551 1814.2883 1963.6918 106.8160 1.7777 -1045.3333 0.0000 0.0000 2702.2060 6219.2018 298.4662 3516.9957 6252.2271 297.8793 PRESSURE: 2019400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2019400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2019400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2019400 0 0 0 0 0 0 0 0 0 TIMING: 2019400 CPU: 8106.03, 0.00394093/step Wall: 8106.03, 0.00394093/step, 0.526114 hours remaining, 114.421875 MB of memory in use. ENERGY: 2019400 639.3503 1836.8278 1953.3488 108.8760 1.0399 -1059.5363 0.0000 0.0000 2743.9172 6223.8236 303.0733 3479.9064 6260.1107 299.5889 PRESSURE: 2019600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2019600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2019600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2019600 0 0 0 0 0 0 0 0 0 TIMING: 2019600 CPU: 8106.82, 0.00393978/step Wall: 8106.82, 0.00393978/step, 0.525742 hours remaining, 114.421875 MB of memory in use. ENERGY: 2019600 638.4426 1887.0071 1965.5821 118.6940 2.2767 -1089.9925 0.0000 0.0000 2711.4932 6233.5033 299.4920 3522.0100 6268.2272 298.9592 PRESSURE: 2019800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2019800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2019800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2019800 0 0 0 0 0 0 0 0 0 TIMING: 2019800 CPU: 8107.61, 0.00394363/step Wall: 8107.61, 0.00394363/step, 0.526036 hours remaining, 114.421875 MB of memory in use. ENERGY: 2019800 650.6587 1875.1946 1973.0142 115.3118 2.3844 -1105.5945 0.0000 0.0000 2741.1737 6252.1430 302.7703 3510.9692 6285.3176 301.5227 PRESSURE: 2020000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2020000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2020000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2020000 0 0 0 0 0 0 0 0 0 TIMING: 2020000 CPU: 8108.4, 0.00394521/step Wall: 8108.4, 0.00394521/step, 0.526029 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2020000 631.4938 1878.2368 1930.7495 119.0370 1.7827 -1092.6456 0.0000 0.0000 2758.9701 6227.6243 304.7359 3468.6542 6264.3804 301.0943 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2020000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2020000 WRITING COORDINATES TO RESTART FILE AT STEP 2020000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2020000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2020200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2020200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2020200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2020200 0 0 0 0 0 0 0 0 0 TIMING: 2020200 CPU: 8110.09, 0.00845936/step Wall: 8110.09, 0.00845936/step, 1.12744 hours remaining, 114.421875 MB of memory in use. ENERGY: 2020200 681.2378 1867.0906 1953.4658 108.2067 1.9061 -1104.7989 0.0000 0.0000 2689.0124 6196.1205 297.0089 3507.1081 6228.8367 299.9173 LDB: ============= START OF LOAD BALANCING ============== 8113.05 LDB: ============== END OF LOAD BALANCING =============== 8113.05 LDB: =============== DONE WITH MIGRATION ================ 8113.05 LDB: ============= START OF LOAD BALANCING ============== 8113.44 LDB: ============== END OF LOAD BALANCING =============== 8113.44 LDB: =============== DONE WITH MIGRATION ================ 8113.44 PRESSURE: 2020400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2020400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2020400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2020400 0 0 0 0 0 0 0 0 0 TIMING: 2020400 CPU: 8110.88, 0.0039474/step Wall: 8110.88, 0.0039474/step, 0.525881 hours remaining, 114.421875 MB of memory in use. ENERGY: 2020400 606.6799 1871.1566 1980.1873 114.2674 1.9861 -1077.2840 0.0000 0.0000 2782.7810 6279.7743 307.3659 3496.9933 6311.8157 301.7879 PRESSURE: 2020600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2020600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2020600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2020600 0 0 0 0 0 0 0 0 0 TIMING: 2020600 CPU: 8111.67, 0.00394192/step Wall: 8111.67, 0.00394192/step, 0.524932 hours remaining, 114.421875 MB of memory in use. ENERGY: 2020600 641.0181 1848.3090 1946.2871 119.9467 3.2828 -1099.8040 0.0000 0.0000 2784.5017 6243.5414 307.5560 3459.0396 6278.3379 302.3933 PRESSURE: 2020800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2020800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2020800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2020800 0 0 0 0 0 0 0 0 0 TIMING: 2020800 CPU: 8112.45, 0.00394227/step Wall: 8112.45, 0.00394227/step, 0.52476 hours remaining, 114.421875 MB of memory in use. ENERGY: 2020800 648.3462 1842.1800 1978.8250 122.7700 2.8910 -1104.5405 0.0000 0.0000 2782.5465 6273.0183 307.3400 3490.4718 6307.5180 302.3803 PRESSURE: 2021000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2021000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2021000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2021000 0 0 0 0 0 0 0 0 0 TIMING: 2021000 CPU: 8113.24, 0.00394445/step Wall: 8113.24, 0.00394445/step, 0.524831 hours remaining, 114.421875 MB of memory in use. ENERGY: 2021000 659.4633 1816.8179 1958.6324 110.5448 1.5771 -1046.0899 0.0000 0.0000 2774.5128 6275.4585 306.4527 3500.9457 6311.7591 302.9862 PRESSURE: 2021200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2021200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2021200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2021200 0 0 0 0 0 0 0 0 0 TIMING: 2021200 CPU: 8114.03, 0.00394206/step Wall: 8114.03, 0.00394206/step, 0.524293 hours remaining, 114.421875 MB of memory in use. ENERGY: 2021200 650.7900 1819.7726 1953.8114 106.3883 1.6224 -1063.2018 0.0000 0.0000 2764.3967 6233.5796 305.3353 3469.1829 6269.1708 301.7009 PRESSURE: 2021400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2021400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2021400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2021400 0 0 0 0 0 0 0 0 0 TIMING: 2021400 CPU: 8114.82, 0.00394005/step Wall: 8114.82, 0.00394005/step, 0.523808 hours remaining, 114.421875 MB of memory in use. ENERGY: 2021400 662.1604 1821.0930 1978.7359 116.2345 0.0925 -1076.8621 0.0000 0.0000 2728.9739 6230.4281 301.4228 3501.4542 6262.9873 301.7242 PRESSURE: 2021600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2021600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2021600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2021600 0 0 0 0 0 0 0 0 0 TIMING: 2021600 CPU: 8115.61, 0.00394235/step Wall: 8115.61, 0.00394235/step, 0.523894 hours remaining, 114.421875 MB of memory in use. ENERGY: 2021600 655.9901 1955.9919 1978.5834 99.0884 2.1181 -1116.3524 0.0000 0.0000 2652.4134 6227.8330 292.9664 3575.4196 6258.9225 299.4414 PRESSURE: 2021800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2021800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2021800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2021800 0 0 0 0 0 0 0 0 0 TIMING: 2021800 CPU: 8116.4, 0.00394192/step Wall: 8116.4, 0.00394192/step, 0.523619 hours remaining, 114.421875 MB of memory in use. ENERGY: 2021800 686.0905 1907.0935 1979.6822 98.9743 1.1022 -1098.9665 0.0000 0.0000 2675.2011 6249.1773 295.4834 3573.9762 6280.0990 300.8126 PRESSURE: 2022000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2022000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2022000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2022000 0 0 0 0 0 0 0 0 0 TIMING: 2022000 CPU: 8117.18, 0.00394159/step Wall: 8117.18, 0.00394159/step, 0.523356 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2022000 683.2899 1877.1440 1985.3569 111.5946 1.6786 -1087.2184 0.0000 0.0000 2668.0394 6239.8850 294.6924 3571.8456 6273.5341 301.8009 PRESSURE: 2022200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2022200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2022200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2022200 0 0 0 0 0 0 0 0 0 TIMING: 2022200 CPU: 8117.97, 0.00393929/step Wall: 8117.97, 0.00393929/step, 0.522831 hours remaining, 114.421875 MB of memory in use. ENERGY: 2022200 666.8219 1908.0740 1959.1011 107.5367 2.1448 -1111.2543 0.0000 0.0000 2716.6230 6249.0472 300.0586 3532.4243 6284.6114 302.3342 PRESSURE: 2022400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2022400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2022400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2022400 0 0 0 0 0 0 0 0 0 TIMING: 2022400 CPU: 8118.76, 0.00393771/step Wall: 8118.76, 0.00393771/step, 0.522403 hours remaining, 114.421875 MB of memory in use. ENERGY: 2022400 685.9959 1845.7237 1981.4260 111.6579 0.9211 -1107.7308 0.0000 0.0000 2742.1794 6260.1732 302.8813 3517.9939 6295.2909 302.3620 PRESSURE: 2022600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2022600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2022600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2022600 0 0 0 0 0 0 0 0 0 TIMING: 2022600 CPU: 8119.55, 0.00394132/step Wall: 8119.55, 0.00394132/step, 0.522663 hours remaining, 114.421875 MB of memory in use. ENERGY: 2022600 661.9209 1863.6913 1960.3385 114.8374 2.7650 -1081.1736 0.0000 0.0000 2721.2904 6243.6699 300.5741 3522.3795 6276.6542 301.8490 PRESSURE: 2022800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2022800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2022800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2022800 0 0 0 0 0 0 0 0 0 TIMING: 2022800 CPU: 8120.34, 0.00393947/step Wall: 8120.34, 0.00393947/step, 0.522198 hours remaining, 114.421875 MB of memory in use. ENERGY: 2022800 649.6053 1862.7688 1950.0554 121.7908 2.6996 -1068.5294 0.0000 0.0000 2718.5779 6236.9684 300.2745 3518.3905 6271.3078 300.0643 PRESSURE: 2023000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2023000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2023000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2023000 0 0 0 0 0 0 0 0 0 TIMING: 2023000 CPU: 8121.12, 0.00394045/step Wall: 8121.12, 0.00394045/step, 0.52211 hours remaining, 114.421875 MB of memory in use. ENERGY: 2023000 666.7524 1885.9843 2003.1910 106.3244 1.9519 -1125.2869 0.0000 0.0000 2683.4977 6222.4149 296.3998 3538.9172 6256.7644 301.3231 PRESSURE: 2023200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2023200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2023200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2023200 0 0 0 0 0 0 0 0 0 TIMING: 2023200 CPU: 8121.91, 0.00393929/step Wall: 8121.91, 0.00393929/step, 0.521736 hours remaining, 114.421875 MB of memory in use. ENERGY: 2023200 655.4061 1884.0817 1976.0033 108.1912 1.3126 -1146.1918 0.0000 0.0000 2750.7955 6229.5986 303.8330 3478.8031 6264.1529 301.1047 PRESSURE: 2023400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2023400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2023400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2023400 0 0 0 0 0 0 0 0 0 TIMING: 2023400 CPU: 8122.7, 0.00393708/step Wall: 8122.7, 0.00393708/step, 0.521225 hours remaining, 114.421875 MB of memory in use. ENERGY: 2023400 652.9917 1887.7055 1948.9302 103.3312 1.8114 -1066.4531 0.0000 0.0000 2721.7032 6250.0200 300.6197 3528.3168 6281.6720 302.3278 PRESSURE: 2023600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2023600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2023600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2023600 0 0 0 0 0 0 0 0 0 TIMING: 2023600 CPU: 8123.49, 0.0039383/step Wall: 8123.49, 0.0039383/step, 0.521168 hours remaining, 114.421875 MB of memory in use. ENERGY: 2023600 645.1071 1826.7906 1950.0779 96.1176 1.3196 -1024.8959 0.0000 0.0000 2709.0778 6203.5948 299.2252 3494.5170 6237.9903 300.7449 PRESSURE: 2023800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2023800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2023800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2023800 0 0 0 0 0 0 0 0 0 TIMING: 2023800 CPU: 8124.27, 0.00393877/step Wall: 8124.27, 0.00393876/step, 0.521011 hours remaining, 114.421875 MB of memory in use. ENERGY: 2023800 673.8289 1852.2445 1932.6801 117.3306 0.6528 -1086.2129 0.0000 0.0000 2708.2843 6198.8083 299.1375 3490.5241 6228.4739 297.9500 PRESSURE: 2024000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2024000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2024000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2024000 0 0 0 0 0 0 0 0 0 TIMING: 2024000 CPU: 8125.06, 0.003939/step Wall: 8125.06, 0.003939/step, 0.520824 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2024000 652.9978 1855.5773 1965.6747 106.0216 1.6731 -1073.9679 0.0000 0.0000 2725.0157 6232.9923 300.9856 3507.9765 6265.0630 297.4288 PRESSURE: 2024200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2024200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2024200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2024200 0 0 0 0 0 0 0 0 0 TIMING: 2024200 CPU: 8125.85, 0.00393539/step Wall: 8125.85, 0.00393539/step, 0.520127 hours remaining, 114.421875 MB of memory in use. ENERGY: 2024200 636.7682 1870.3582 1967.0799 120.2377 3.3401 -1126.4669 0.0000 0.0000 2719.5794 6190.8965 300.3851 3471.3171 6223.9242 298.7199 LDB: ============= START OF LOAD BALANCING ============== 8128.81 LDB: ============== END OF LOAD BALANCING =============== 8128.81 LDB: =============== DONE WITH MIGRATION ================ 8128.81 LDB: ============= START OF LOAD BALANCING ============== 8129.2 LDB: ============== END OF LOAD BALANCING =============== 8129.2 LDB: =============== DONE WITH MIGRATION ================ 8129.2 PRESSURE: 2024400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2024400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2024400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2024400 0 0 0 0 0 0 0 0 0 TIMING: 2024400 CPU: 8126.64, 0.00394312/step Wall: 8126.64, 0.00394312/step, 0.52093 hours remaining, 114.421875 MB of memory in use. ENERGY: 2024400 683.5258 1844.5164 1975.1378 103.9928 2.3135 -1094.5242 0.0000 0.0000 2747.6380 6262.6001 303.4843 3514.9621 6295.7828 299.6529 PRESSURE: 2024600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2024600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2024600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2024600 0 0 0 0 0 0 0 0 0 TIMING: 2024600 CPU: 8127.43, 0.00393969/step Wall: 8127.43, 0.00393969/step, 0.520257 hours remaining, 114.421875 MB of memory in use. ENERGY: 2024600 638.8152 1880.7420 1984.9710 112.7107 2.6352 -1085.4698 0.0000 0.0000 2758.6296 6293.0339 304.6983 3534.4043 6327.2933 303.2376 PRESSURE: 2024800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2024800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2024800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2024800 0 0 0 0 0 0 0 0 0 TIMING: 2024800 CPU: 8128.21, 0.00393894/step Wall: 8128.21, 0.00393894/step, 0.519941 hours remaining, 114.421875 MB of memory in use. ENERGY: 2024800 677.3948 1827.4186 1985.3584 107.6169 2.5688 -1073.2474 0.0000 0.0000 2716.9395 6244.0495 300.0935 3527.1100 6277.9062 303.6774 PRESSURE: 2025000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2025000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2025000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2025000 0 0 0 0 0 0 0 0 0 TIMING: 2025000 CPU: 8129, 0.00394015/step Wall: 8129, 0.00394015/step, 0.519881 hours remaining, 114.421875 MB of memory in use. ENERGY: 2025000 667.8962 1840.4813 1979.2137 111.3972 1.5021 -1057.5469 0.0000 0.0000 2678.1340 6221.0775 295.8074 3542.9435 6252.5286 300.5202 PRESSURE: 2025200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2025200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2025200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2025200 0 0 0 0 0 0 0 0 0 TIMING: 2025200 CPU: 8129.79, 0.00393783/step Wall: 8129.79, 0.00393783/step, 0.519356 hours remaining, 114.421875 MB of memory in use. ENERGY: 2025200 629.1162 1768.9701 1966.4635 102.6699 1.9654 -1055.5985 0.0000 0.0000 2740.2266 6153.8131 302.6657 3413.5865 6189.1103 298.0092 PRESSURE: 2025400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2025400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2025400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2025400 0 0 0 0 0 0 0 0 0 TIMING: 2025400 CPU: 8130.58, 0.00393909/step Wall: 8130.58, 0.00393909/step, 0.519304 hours remaining, 114.421875 MB of memory in use. ENERGY: 2025400 659.4242 1839.8618 1993.8979 97.8074 2.6792 -1080.7233 0.0000 0.0000 2656.4645 6169.4117 293.4139 3512.9472 6199.7893 296.6967 PRESSURE: 2025600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2025600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2025600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2025600 0 0 0 0 0 0 0 0 0 TIMING: 2025600 CPU: 8131.37, 0.00394023/step Wall: 8131.37, 0.00394023/step, 0.519235 hours remaining, 114.421875 MB of memory in use. ENERGY: 2025600 660.7622 1845.8097 1955.8410 110.0749 1.7747 -1083.0281 0.0000 0.0000 2673.9258 6165.1602 295.3426 3491.2344 6197.1328 296.6483 PRESSURE: 2025800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2025800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2025800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2025800 0 0 0 0 0 0 0 0 0 TIMING: 2025800 CPU: 8132.15, 0.00393987/step Wall: 8132.15, 0.00393987/step, 0.518969 hours remaining, 114.421875 MB of memory in use. ENERGY: 2025800 659.1391 1858.3426 1954.8425 117.5075 2.3532 -1090.5847 0.0000 0.0000 2697.6814 6199.2816 297.9664 3501.6002 6231.3532 298.6669 PRESSURE: 2026000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2026000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2026000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2026000 0 0 0 0 0 0 0 0 0 TIMING: 2026000 CPU: 8132.94, 0.00393917/step Wall: 8132.94, 0.00393917/step, 0.518657 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2026000 627.5776 1861.7988 1946.0290 104.8268 2.1123 -1091.8022 0.0000 0.0000 2651.6746 6102.2170 292.8848 3450.5424 6135.5340 297.4207 PRESSURE: 2026200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2026200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2026200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2026200 0 0 0 0 0 0 0 0 0 TIMING: 2026200 CPU: 8133.73, 0.00393756/step Wall: 8133.73, 0.00393756/step, 0.518227 hours remaining, 114.421875 MB of memory in use. ENERGY: 2026200 613.9096 1858.2751 1950.8294 116.0888 2.5065 -1114.2485 0.0000 0.0000 2689.5762 6116.9371 297.0712 3427.3610 6149.1562 294.8423 PRESSURE: 2026400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2026400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2026400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2026400 0 0 0 0 0 0 0 0 0 TIMING: 2026400 CPU: 8134.52, 0.00393933/step Wall: 8134.52, 0.00393933/step, 0.518241 hours remaining, 114.421875 MB of memory in use. ENERGY: 2026400 658.6449 1760.0107 1962.5529 102.3781 2.6744 -1116.1511 0.0000 0.0000 2741.3609 6111.4708 302.7909 3370.1099 6145.6680 295.0399 PRESSURE: 2026600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2026600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2026600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2026600 0 0 0 0 0 0 0 0 0 TIMING: 2026600 CPU: 8135.3, 0.00393997/step Wall: 8135.3, 0.00393997/step, 0.518106 hours remaining, 114.421875 MB of memory in use. ENERGY: 2026600 663.2249 1830.6696 1964.6701 111.4653 2.1954 -1082.2890 0.0000 0.0000 2631.8856 6121.8219 290.6991 3489.9363 6152.1758 293.4653 PRESSURE: 2026800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2026800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2026800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2026800 0 0 0 0 0 0 0 0 0 TIMING: 2026800 CPU: 8136.09, 0.00393976/step Wall: 8136.09, 0.00393976/step, 0.51786 hours remaining, 114.421875 MB of memory in use. ENERGY: 2026800 644.5344 1875.9396 1954.2248 104.2184 1.1930 -1091.6183 0.0000 0.0000 2637.1997 6125.6916 291.2861 3488.4919 6158.9118 293.3390 PRESSURE: 2027000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2027000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2027000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2027000 0 0 0 0 0 0 0 0 0 TIMING: 2027000 CPU: 8136.88, 0.00393606/step Wall: 8136.88, 0.00393606/step, 0.517155 hours remaining, 114.421875 MB of memory in use. ENERGY: 2027000 618.6631 1862.0725 1958.6127 109.4956 0.7729 -1098.5663 0.0000 0.0000 2734.5292 6185.5797 302.0364 3451.0505 6217.7738 295.7685 PRESSURE: 2027200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2027200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2027200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2027200 0 0 0 0 0 0 0 0 0 TIMING: 2027200 CPU: 8137.67, 0.00393974/step Wall: 8137.67, 0.00393974/step, 0.517419 hours remaining, 114.421875 MB of memory in use. ENERGY: 2027200 650.2433 1847.9014 1957.7114 107.6335 1.0075 -1107.6654 0.0000 0.0000 2717.4553 6174.2870 300.1505 3456.8317 6204.4290 298.1882 PRESSURE: 2027400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2027400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2027400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2027400 0 0 0 0 0 0 0 0 0 TIMING: 2027400 CPU: 8138.46, 0.00394031/step Wall: 8138.46, 0.00394031/step, 0.517275 hours remaining, 114.421875 MB of memory in use. ENERGY: 2027400 629.1447 1850.5754 1947.6404 117.7292 1.0862 -1099.7623 0.0000 0.0000 2686.4277 6132.8413 296.7234 3446.4135 6163.3133 296.2569 PRESSURE: 2027600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2027600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2027600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2027600 0 0 0 0 0 0 0 0 0 TIMING: 2027600 CPU: 8139.24, 0.00394282/step Wall: 8139.24, 0.00394282/step, 0.517386 hours remaining, 114.421875 MB of memory in use. ENERGY: 2027600 673.8267 1843.1080 1944.5303 107.6279 0.7645 -1062.2515 0.0000 0.0000 2681.2252 6188.8312 296.1488 3507.6060 6224.0197 297.1492 PRESSURE: 2027800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2027800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2027800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2027800 0 0 0 0 0 0 0 0 0 TIMING: 2027800 CPU: 8140.03, 0.00393651/step Wall: 8140.03, 0.00393651/step, 0.516338 hours remaining, 114.421875 MB of memory in use. ENERGY: 2027800 677.1518 1796.3760 1968.8477 106.7587 1.9133 -1073.7704 0.0000 0.0000 2715.3989 6192.6760 299.9234 3477.2771 6227.3741 298.4248 PRESSURE: 2028000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2028000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2028000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2028000 0 0 0 0 0 0 0 0 0 TIMING: 2028000 CPU: 8140.82, 0.00393798/step Wall: 8140.82, 0.00393798/step, 0.516313 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2028000 636.7243 1810.3702 1995.2196 103.0662 2.7948 -1099.2003 0.0000 0.0000 2744.2933 6193.2682 303.1148 3448.9749 6227.7674 298.2256 PRESSURE: 2028200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2028200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2028200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2028200 0 0 0 0 0 0 0 0 0 TIMING: 2028200 CPU: 8141.61, 0.00393946/step Wall: 8141.61, 0.00393946/step, 0.516288 hours remaining, 114.421875 MB of memory in use. ENERGY: 2028200 669.3396 1875.7556 1950.4934 109.4266 3.0570 -1089.5476 0.0000 0.0000 2736.4902 6255.0147 302.2530 3518.5245 6287.1623 302.0265 LDB: ============= START OF LOAD BALANCING ============== 8144.57 LDB: ============== END OF LOAD BALANCING =============== 8144.57 LDB: =============== DONE WITH MIGRATION ================ 8144.57 LDB: ============= START OF LOAD BALANCING ============== 8144.96 LDB: ============== END OF LOAD BALANCING =============== 8144.96 LDB: =============== DONE WITH MIGRATION ================ 8144.96 PRESSURE: 2028400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2028400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2028400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2028400 0 0 0 0 0 0 0 0 0 TIMING: 2028400 CPU: 8142.4, 0.00394259/step Wall: 8142.4, 0.00394259/step, 0.51648 hours remaining, 114.421875 MB of memory in use. ENERGY: 2028400 648.2871 1903.6571 1963.8908 110.9186 2.3395 -1085.5124 0.0000 0.0000 2680.1934 6223.7741 296.0348 3543.5807 6255.3171 301.7484 PRESSURE: 2028600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2028600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2028600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2028600 0 0 0 0 0 0 0 0 0 TIMING: 2028600 CPU: 8143.18, 0.0039397/step Wall: 8143.18, 0.0039397/step, 0.515882 hours remaining, 114.421875 MB of memory in use. ENERGY: 2028600 694.1537 1899.6370 1931.3595 105.0121 1.7557 -1096.3304 0.0000 0.0000 2712.8391 6248.4268 299.6406 3535.5877 6283.0494 301.3109 PRESSURE: 2028800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2028800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2028800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2028800 0 0 0 0 0 0 0 0 0 TIMING: 2028800 CPU: 8143.97, 0.0039382/step Wall: 8143.97, 0.0039382/step, 0.515467 hours remaining, 114.421875 MB of memory in use. ENERGY: 2028800 650.6942 1842.4942 1973.5248 113.5863 2.3960 -1037.2963 0.0000 0.0000 2746.2776 6291.6768 303.3340 3545.3992 6325.6484 303.0481 PRESSURE: 2029000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2029000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2029000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2029000 0 0 0 0 0 0 0 0 0 TIMING: 2029000 CPU: 8144.76, 0.00393774/step Wall: 8144.76, 0.00393774/step, 0.515188 hours remaining, 114.421875 MB of memory in use. ENERGY: 2029000 647.7166 1876.3259 1979.6173 114.3739 0.9365 -1070.7649 0.0000 0.0000 2773.8006 6322.0059 306.3740 3548.2053 6357.6633 303.7473 PRESSURE: 2029200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2029200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2029200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2029200 0 0 0 0 0 0 0 0 0 TIMING: 2029200 CPU: 8145.55, 0.00395959/step Wall: 8145.55, 0.00395959/step, 0.517827 hours remaining, 114.421875 MB of memory in use. ENERGY: 2029200 683.6098 1907.0817 1949.0159 109.1781 0.7185 -1065.7568 0.0000 0.0000 2745.2498 6329.0970 303.2205 3583.8472 6356.0903 305.6969 PRESSURE: 2029400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2029400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2029400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2029400 0 0 0 0 0 0 0 0 0 TIMING: 2029400 CPU: 8146.34, 0.00394118/step Wall: 8146.34, 0.00394118/step, 0.5152 hours remaining, 114.421875 MB of memory in use. ENERGY: 2029400 655.9768 1928.2349 1922.3803 116.0955 1.6349 -1087.2890 0.0000 0.0000 2719.9317 6256.9651 300.4240 3537.0333 6290.0576 302.7396 PRESSURE: 2029600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2029600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2029600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2029600 0 0 0 0 0 0 0 0 0 TIMING: 2029600 CPU: 8147.13, 0.00394253/step Wall: 8147.13, 0.00394253/step, 0.515157 hours remaining, 114.421875 MB of memory in use. ENERGY: 2029600 672.4522 1869.0016 1973.4831 102.3300 1.6300 -1089.7013 0.0000 0.0000 2710.1131 6239.3087 299.3395 3529.1957 6271.3216 302.4719 PRESSURE: 2029800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2029800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2029800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2029800 0 0 0 0 0 0 0 0 0 TIMING: 2029800 CPU: 8147.91, 0.00393604/step Wall: 8147.91, 0.00393604/step, 0.51409 hours remaining, 114.421875 MB of memory in use. ENERGY: 2029800 660.2875 1852.5477 1929.7108 101.6618 1.6252 -1081.0613 0.0000 0.0000 2703.6924 6168.4642 298.6304 3464.7718 6202.8088 299.8313 PRESSURE: 2030000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2030000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2030000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2030000 0 0 0 0 0 0 0 0 0 TIMING: 2030000 CPU: 8148.7, 0.00393853/step Wall: 8148.7, 0.00393853/step, 0.514197 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2030000 655.1090 1819.0264 1949.2884 110.8164 2.7615 -1053.0389 0.0000 0.0000 2652.7788 6136.7417 293.0068 3483.9628 6168.6539 296.6488 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2030000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2030000 WRITING COORDINATES TO RESTART FILE AT STEP 2030000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2030000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2030200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2030200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2030200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2030200 0 0 0 0 0 0 0 0 0 TIMING: 2030200 CPU: 8150.48, 0.00891091/step Wall: 8150.48, 0.00891091/step, 1.16287 hours remaining, 114.421875 MB of memory in use. ENERGY: 2030200 631.2277 1856.0513 1952.8414 103.3724 0.7788 -1086.0257 0.0000 0.0000 2648.6257 6106.8717 292.5481 3458.2460 6138.3290 293.7209 PRESSURE: 2030400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2030400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2030400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2030400 0 0 0 0 0 0 0 0 0 TIMING: 2030400 CPU: 8151.27, 0.00394114/step Wall: 8151.27, 0.00394114/step, 0.5141 hours remaining, 114.421875 MB of memory in use. ENERGY: 2030400 647.2875 1864.4514 1951.3360 113.5153 2.8835 -1091.0302 0.0000 0.0000 2705.6145 6194.0580 298.8427 3488.4435 6225.1748 295.9097 PRESSURE: 2030600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2030600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2030600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2030600 0 0 0 0 0 0 0 0 0 TIMING: 2030600 CPU: 8152.06, 0.0039387/step Wall: 8152.06, 0.0039387/step, 0.513563 hours remaining, 114.421875 MB of memory in use. ENERGY: 2030600 672.7593 1867.4311 1932.4351 105.8117 1.4943 -1074.4617 0.0000 0.0000 2667.2215 6172.6914 294.6020 3505.4699 6203.0505 298.9041 PRESSURE: 2030800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2030800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2030800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2030800 0 0 0 0 0 0 0 0 0 TIMING: 2030800 CPU: 8152.85, 0.00393785/step Wall: 8152.85, 0.00393785/step, 0.513232 hours remaining, 114.421875 MB of memory in use. ENERGY: 2030800 655.6095 1877.6771 1967.0625 106.0012 1.0642 -1102.5271 0.0000 0.0000 2725.4458 6230.3333 301.0331 3504.8874 6265.9346 301.5864 PRESSURE: 2031000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2031000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2031000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2031000 0 0 0 0 0 0 0 0 0 TIMING: 2031000 CPU: 8153.64, 0.00394202/step Wall: 8153.64, 0.00394202/step, 0.513557 hours remaining, 114.421875 MB of memory in use. ENERGY: 2031000 653.3139 1861.9628 1934.0175 112.2098 0.5200 -1069.6785 0.0000 0.0000 2730.4739 6222.8192 301.5884 3492.3453 6255.6722 300.9234 PRESSURE: 2031200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2031200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2031200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2031200 0 0 0 0 0 0 0 0 0 TIMING: 2031200 CPU: 8154.42, 0.00394054/step Wall: 8154.42, 0.00394054/step, 0.513146 hours remaining, 114.421875 MB of memory in use. ENERGY: 2031200 665.4492 1831.9067 1952.6967 116.1137 1.4712 -1079.8601 0.0000 0.0000 2680.5053 6168.2826 296.0693 3487.7774 6200.9863 298.2431 PRESSURE: 2031400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2031400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2031400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2031400 0 0 0 0 0 0 0 0 0 TIMING: 2031400 CPU: 8155.21, 0.00394282/step Wall: 8155.21, 0.00394282/step, 0.513224 hours remaining, 114.421875 MB of memory in use. ENERGY: 2031400 667.7056 1831.3582 1926.8965 117.7694 1.1859 -1079.0709 0.0000 0.0000 2666.9067 6132.7515 294.5673 3465.8448 6167.2297 295.7011 PRESSURE: 2031600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2031600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2031600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2031600 0 0 0 0 0 0 0 0 0 TIMING: 2031600 CPU: 8156, 0.00393874/step Wall: 8156, 0.00393874/step, 0.512474 hours remaining, 114.421875 MB of memory in use. ENERGY: 2031600 667.0543 1903.1752 1932.9280 99.6256 1.9450 -1090.7154 0.0000 0.0000 2681.7485 6195.7611 296.2066 3514.0126 6227.6190 298.7008 PRESSURE: 2031800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2031800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2031800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2031800 0 0 0 0 0 0 0 0 0 TIMING: 2031800 CPU: 8156.79, 0.00393756/step Wall: 8156.79, 0.00393756/step, 0.512102 hours remaining, 114.421875 MB of memory in use. ENERGY: 2031800 642.8128 1890.4221 1962.6764 101.0193 1.6559 -1062.8010 0.0000 0.0000 2676.2470 6212.0325 295.5989 3535.7855 6242.6631 300.8292 PRESSURE: 2032000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2032000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2032000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2032000 0 0 0 0 0 0 0 0 0 TIMING: 2032000 CPU: 8157.58, 0.00394462/step Wall: 8157.58, 0.00394462/step, 0.5128 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2032000 646.7970 1864.4355 1948.0344 116.7068 1.0862 -1107.6453 0.0000 0.0000 2715.9500 6185.3646 299.9842 3469.4146 6219.7026 299.6346 PRESSURE: 2032200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2032200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2032200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2032200 0 0 0 0 0 0 0 0 0 TIMING: 2032200 CPU: 8158.37, 0.00394146/step Wall: 8158.37, 0.00394146/step, 0.512171 hours remaining, 114.421875 MB of memory in use. ENERGY: 2032200 675.9300 1865.6683 1963.8603 89.1830 1.3994 -1127.0676 0.0000 0.0000 2733.6286 6202.6021 301.9369 3468.9735 6233.1328 300.2494 LDB: ============= START OF LOAD BALANCING ============== 8161.32 LDB: ============== END OF LOAD BALANCING =============== 8161.32 LDB: =============== DONE WITH MIGRATION ================ 8161.32 LDB: ============= START OF LOAD BALANCING ============== 8161.72 LDB: ============== END OF LOAD BALANCING =============== 8161.72 LDB: =============== DONE WITH MIGRATION ================ 8161.72 PRESSURE: 2032400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2032400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2032400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2032400 0 0 0 0 0 0 0 0 0 TIMING: 2032400 CPU: 8159.16, 0.00394911/step Wall: 8159.16, 0.00394911/step, 0.512945 hours remaining, 114.421875 MB of memory in use. ENERGY: 2032400 665.3577 1847.7527 1933.5031 115.1460 0.6923 -1075.2225 0.0000 0.0000 2721.0093 6208.2386 300.5431 3487.2293 6240.5040 299.5997 PRESSURE: 2032600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2032600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2032600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2032600 0 0 0 0 0 0 0 0 0 TIMING: 2032600 CPU: 8159.94, 0.0039386/step Wall: 8159.94, 0.0039386/step, 0.511362 hours remaining, 114.421875 MB of memory in use. ENERGY: 2032600 656.3089 1795.6760 1928.5429 115.7110 1.6581 -1065.6237 0.0000 0.0000 2709.3020 6141.5753 299.2500 3432.2733 6175.2957 297.8122 PRESSURE: 2032800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2032800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2032800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2032800 0 0 0 0 0 0 0 0 0 TIMING: 2032800 CPU: 8160.73, 0.00394292/step Wall: 8160.73, 0.00394292/step, 0.511703 hours remaining, 114.421875 MB of memory in use. ENERGY: 2032800 643.5773 1833.8389 1922.1287 104.1645 1.7720 -1062.5559 0.0000 0.0000 2692.0269 6134.9524 297.3419 3442.9255 6170.1948 296.7901 PRESSURE: 2033000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2033000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2033000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2033000 0 0 0 0 0 0 0 0 0 TIMING: 2033000 CPU: 8161.52, 0.00394385/step Wall: 8161.52, 0.00394385/step, 0.511604 hours remaining, 114.421875 MB of memory in use. ENERGY: 2033000 635.0721 1830.6761 1932.0892 103.5213 1.7984 -1086.6397 0.0000 0.0000 2736.2002 6152.7175 302.2209 3416.5174 6186.9875 296.4116 PRESSURE: 2033200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2033200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2033200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2033200 0 0 0 0 0 0 0 0 0 TIMING: 2033200 CPU: 8162.31, 0.00394213/step Wall: 8162.31, 0.00394213/step, 0.511163 hours remaining, 114.421875 MB of memory in use. ENERGY: 2033200 647.5861 1854.3582 1943.6045 113.2835 1.2925 -1106.8353 0.0000 0.0000 2653.7490 6107.0386 293.1140 3453.2896 6141.3342 297.1074 PRESSURE: 2033400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2033400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2033400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2033400 0 0 0 0 0 0 0 0 0 TIMING: 2033400 CPU: 8163.1, 0.00394197/step Wall: 8163.1, 0.00394197/step, 0.510922 hours remaining, 114.421875 MB of memory in use. ENERGY: 2033400 667.6204 1847.6496 1960.2842 109.0345 1.0703 -1120.1957 0.0000 0.0000 2704.0117 6169.4749 298.6656 3465.4632 6202.8288 294.9910 PRESSURE: 2033600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2033600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2033600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2033600 0 0 0 0 0 0 0 0 0 TIMING: 2033600 CPU: 8163.88, 0.00393639/step Wall: 8163.88, 0.00393639/step, 0.509982 hours remaining, 114.421875 MB of memory in use. ENERGY: 2033600 649.1905 1854.4322 1935.7426 112.8061 0.0561 -1101.2881 0.0000 0.0000 2675.6865 6126.6258 295.5370 3450.9394 6157.6903 297.9349 PRESSURE: 2033800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2033800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2033800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2033800 0 0 0 0 0 0 0 0 0 TIMING: 2033800 CPU: 8164.67, 0.00393982/step Wall: 8164.67, 0.00393982/step, 0.510207 hours remaining, 114.421875 MB of memory in use. ENERGY: 2033800 648.9582 1831.1234 1942.1848 102.5518 0.4588 -1086.7234 0.0000 0.0000 2719.3134 6157.8670 300.3557 3438.5536 6190.4559 297.7254 PRESSURE: 2034000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2034000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2034000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2034000 0 0 0 0 0 0 0 0 0 TIMING: 2034000 CPU: 8165.46, 0.00394241/step Wall: 8165.46, 0.00394241/step, 0.510324 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2034000 666.9731 1853.5314 1949.8953 99.0070 -0.3119 -1121.2540 0.0000 0.0000 2701.2571 6149.0981 298.3614 3447.8409 6179.9538 298.3283 PRESSURE: 2034200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2034200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2034200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2034200 0 0 0 0 0 0 0 0 0 TIMING: 2034200 CPU: 8166.25, 0.00394041/step Wall: 8166.25, 0.00394041/step, 0.509845 hours remaining, 114.421875 MB of memory in use. ENERGY: 2034200 648.2684 1869.6076 1932.6550 121.7964 0.3292 -1123.9763 0.0000 0.0000 2666.6494 6115.3297 294.5389 3448.6803 6145.8362 296.6349 PRESSURE: 2034400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2034400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2034400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2034400 0 0 0 0 0 0 0 0 0 TIMING: 2034400 CPU: 8167.04, 0.00394148/step Wall: 8167.04, 0.00394148/step, 0.509765 hours remaining, 114.421875 MB of memory in use. ENERGY: 2034400 673.8969 1826.9817 1980.3716 119.3659 -0.0052 -1113.3896 0.0000 0.0000 2651.3658 6138.5871 292.8507 3487.2212 6171.3729 295.4801 PRESSURE: 2034600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2034600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2034600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2034600 0 0 0 0 0 0 0 0 0 TIMING: 2034600 CPU: 8167.82, 0.0039371/step Wall: 8167.82, 0.0039371/step, 0.50898 hours remaining, 114.421875 MB of memory in use. ENERGY: 2034600 686.4396 1833.9255 1983.0216 115.0334 0.2509 -1119.3660 0.0000 0.0000 2669.6366 6168.9416 294.8688 3499.3050 6200.3625 296.2979 PRESSURE: 2034800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2034800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2034800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2034800 0 0 0 0 0 0 0 0 0 TIMING: 2034800 CPU: 8168.61, 0.00394153/step Wall: 8168.61, 0.00394153/step, 0.509333 hours remaining, 114.421875 MB of memory in use. ENERGY: 2034800 634.8405 1852.9551 1953.4963 105.2507 0.5576 -1087.1097 0.0000 0.0000 2684.1381 6144.1285 296.4705 3459.9904 6176.4661 297.3170 PRESSURE: 2035000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2035000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2035000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2035000 0 0 0 0 0 0 0 0 0 TIMING: 2035000 CPU: 8169.4, 0.00394233/step Wall: 8169.4, 0.00394233/step, 0.509218 hours remaining, 114.421875 MB of memory in use. ENERGY: 2035000 612.2928 1851.4854 1993.8948 114.6246 -0.4533 -1097.0347 0.0000 0.0000 2719.8173 6194.6268 300.4114 3474.8096 6229.0022 297.3902 PRESSURE: 2035200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2035200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2035200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2035200 0 0 0 0 0 0 0 0 0 TIMING: 2035200 CPU: 8170.19, 0.00394172/step Wall: 8170.19, 0.00394172/step, 0.50892 hours remaining, 114.421875 MB of memory in use. ENERGY: 2035200 678.8072 1840.6958 1967.2545 105.1410 0.4135 -1108.3409 0.0000 0.0000 2684.8154 6168.7865 296.5453 3483.9712 6203.5901 297.5543 PRESSURE: 2035400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2035400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2035400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2035400 0 0 0 0 0 0 0 0 0 TIMING: 2035400 CPU: 8170.98, 0.0039379/step Wall: 8170.98, 0.0039379/step, 0.508208 hours remaining, 114.421875 MB of memory in use. ENERGY: 2035400 662.7006 1814.8168 1967.1276 96.2987 0.1507 -1083.9008 0.0000 0.0000 2686.4677 6143.6613 296.7278 3457.1936 6175.6821 297.8411 PRESSURE: 2035600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2035600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2035600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2035600 0 0 0 0 0 0 0 0 0 TIMING: 2035600 CPU: 8171.77, 0.00394266/step Wall: 8171.77, 0.00394266/step, 0.508603 hours remaining, 114.421875 MB of memory in use. ENERGY: 2035600 663.5237 1903.8336 1921.3091 107.1918 0.1384 -1075.4592 0.0000 0.0000 2668.2384 6188.7758 294.7144 3520.5374 6220.1284 296.5816 PRESSURE: 2035800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2035800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2035800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2035800 0 0 0 0 0 0 0 0 0 TIMING: 2035800 CPU: 8172.55, 0.00394285/step Wall: 8172.55, 0.00394285/step, 0.508409 hours remaining, 114.421875 MB of memory in use. ENERGY: 2035800 653.8582 1823.4811 1935.9176 102.8274 -0.2577 -1055.0193 0.0000 0.0000 2698.8623 6159.6695 298.0969 3460.8072 6190.8284 299.0913 PRESSURE: 2036000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2036000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2036000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2036000 0 0 0 0 0 0 0 0 0 TIMING: 2036000 CPU: 8173.34, 0.00394348/step Wall: 8173.34, 0.00394348/step, 0.50827 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2036000 631.8223 1817.7268 1931.5157 112.7670 -0.4262 -1041.8865 0.0000 0.0000 2706.2325 6157.7517 298.9109 3451.5191 6192.7157 297.0749 PRESSURE: 2036200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2036200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2036200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2036200 0 0 0 0 0 0 0 0 0 TIMING: 2036200 CPU: 8174.13, 0.0039421/step Wall: 8174.13, 0.0039421/step, 0.507874 hours remaining, 114.421875 MB of memory in use. ENERGY: 2036200 647.3972 1885.1675 1958.0656 108.3071 -0.8615 -1108.9268 0.0000 0.0000 2663.2575 6152.4064 294.1642 3489.1490 6181.7171 296.8374 LDB: ============= START OF LOAD BALANCING ============== 8177.09 LDB: ============== END OF LOAD BALANCING =============== 8177.09 LDB: =============== DONE WITH MIGRATION ================ 8177.09 LDB: ============= START OF LOAD BALANCING ============== 8177.48 LDB: ============== END OF LOAD BALANCING =============== 8177.48 LDB: =============== DONE WITH MIGRATION ================ 8177.48 PRESSURE: 2036400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2036400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2036400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2036400 0 0 0 0 0 0 0 0 0 TIMING: 2036400 CPU: 8174.92, 0.00394184/step Wall: 8174.92, 0.00394184/step, 0.507621 hours remaining, 114.421875 MB of memory in use. ENERGY: 2036400 640.4954 1833.0480 1972.8002 110.9060 -0.1322 -1090.3910 0.0000 0.0000 2680.9453 6147.6716 296.1179 3466.7263 6178.6503 296.9504 PRESSURE: 2036600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2036600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2036600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2036600 0 0 0 0 0 0 0 0 0 TIMING: 2036600 CPU: 8175.71, 0.00393994/step Wall: 8175.71, 0.00393994/step, 0.507158 hours remaining, 114.421875 MB of memory in use. ENERGY: 2036600 635.2040 1864.0794 1942.6157 106.6898 -0.0923 -1106.6027 0.0000 0.0000 2736.6278 6178.5217 302.2682 3441.8939 6212.1934 299.4948 PRESSURE: 2036800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2036800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2036800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2036800 0 0 0 0 0 0 0 0 0 TIMING: 2036800 CPU: 8176.5, 0.00394048/step Wall: 8176.5, 0.00394048/step, 0.507009 hours remaining, 114.421875 MB of memory in use. ENERGY: 2036800 660.9764 1895.6115 1926.0184 110.6142 -0.1495 -1109.5865 0.0000 0.0000 2679.8959 6163.3804 296.0020 3483.4844 6197.8183 298.2673 PRESSURE: 2037000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2037000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2037000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2037000 0 0 0 0 0 0 0 0 0 TIMING: 2037000 CPU: 8177.28, 0.00394256/step Wall: 8177.28, 0.00394256/step, 0.507058 hours remaining, 114.421875 MB of memory in use. ENERGY: 2037000 685.1731 1884.2328 1921.1700 98.6752 0.5662 -1089.7140 0.0000 0.0000 2686.1804 6186.2837 296.6961 3500.1033 6218.4998 297.7574 PRESSURE: 2037200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2037200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2037200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2037200 0 0 0 0 0 0 0 0 0 TIMING: 2037200 CPU: 8178.07, 0.00394838/step Wall: 8178.07, 0.00394838/step, 0.507586 hours remaining, 114.421875 MB of memory in use. ENERGY: 2037200 639.1804 1879.6571 1976.2213 109.1466 0.5458 -1076.7530 0.0000 0.0000 2647.7592 6175.7573 292.4524 3527.9981 6207.0153 298.7789 PRESSURE: 2037400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2037400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2037400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2037400 0 0 0 0 0 0 0 0 0 TIMING: 2037400 CPU: 8178.86, 0.00393463/step Wall: 8178.86, 0.00393463/step, 0.5056 hours remaining, 114.421875 MB of memory in use. ENERGY: 2037400 638.3920 1787.9948 1956.2245 116.7153 1.8458 -1049.0167 0.0000 0.0000 2674.5195 6126.6751 295.4081 3452.1556 6163.5208 296.3048 PRESSURE: 2037600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2037600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2037600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2037600 0 0 0 0 0 0 0 0 0 TIMING: 2037600 CPU: 8179.65, 0.00394065/step Wall: 8179.65, 0.00394065/step, 0.506154 hours remaining, 114.421875 MB of memory in use. ENERGY: 2037600 651.0275 1827.4041 1939.3680 96.7279 1.0604 -1101.9032 0.0000 0.0000 2731.5043 6145.1889 301.7023 3413.6846 6179.0134 295.2091 PRESSURE: 2037800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2037800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2037800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2037800 0 0 0 0 0 0 0 0 0 TIMING: 2037800 CPU: 8180.44, 0.00394079/step Wall: 8180.44, 0.00394079/step, 0.505954 hours remaining, 114.421875 MB of memory in use. ENERGY: 2037800 667.2517 1786.3817 1967.3376 121.1531 1.4788 -1083.1476 0.0000 0.0000 2671.6731 6132.1283 295.0937 3460.4552 6160.9739 297.2683 PRESSURE: 2038000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2038000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2038000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2038000 0 0 0 0 0 0 0 0 0 TIMING: 2038000 CPU: 8181.23, 0.00394219/step Wall: 8181.23, 0.00394219/step, 0.505914 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2038000 644.5041 1816.2608 1992.6237 99.2884 1.1956 -1086.9701 0.0000 0.0000 2710.2220 6177.1245 299.3516 3466.9025 6214.3470 296.3155 PRESSURE: 2038200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2038200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2038200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2038200 0 0 0 0 0 0 0 0 0 TIMING: 2038200 CPU: 8182.01, 0.00393924/step Wall: 8182.01, 0.00393924/step, 0.505317 hours remaining, 114.421875 MB of memory in use. ENERGY: 2038200 648.5042 1854.4279 1952.9761 103.3463 1.0803 -1088.8268 0.0000 0.0000 2673.4804 6144.9884 295.2934 3471.5080 6179.8867 297.7477 PRESSURE: 2038400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2038400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2038400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2038400 0 0 0 0 0 0 0 0 0 TIMING: 2038400 CPU: 8182.8, 0.0039377/step Wall: 8182.8, 0.0039377/step, 0.5049 hours remaining, 114.421875 MB of memory in use. ENERGY: 2038400 641.8225 1784.3153 1947.7588 111.6424 0.9851 -1090.4085 0.0000 0.0000 2701.0061 6097.1216 298.3336 3396.1155 6129.6149 294.2637 PRESSURE: 2038600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2038600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2038600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2038600 0 0 0 0 0 0 0 0 0 TIMING: 2038600 CPU: 8183.59, 0.00394301/step Wall: 8183.59, 0.00394301/step, 0.505362 hours remaining, 114.421875 MB of memory in use. ENERGY: 2038600 678.6984 1867.4296 1980.7139 114.7990 0.8500 -1117.0104 0.0000 0.0000 2646.2689 6171.7494 292.2878 3525.4806 6202.6321 295.0483 PRESSURE: 2038800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2038800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2038800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2038800 0 0 0 0 0 0 0 0 0 TIMING: 2038800 CPU: 8184.38, 0.00393953/step Wall: 8184.38, 0.00393953/step, 0.504698 hours remaining, 114.421875 MB of memory in use. ENERGY: 2038800 687.9483 1815.7466 1953.3788 107.2157 0.3289 -1090.6748 0.0000 0.0000 2660.3844 6134.3278 293.8469 3473.9434 6164.8229 294.8134 PRESSURE: 2039000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2039000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2039000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2039000 0 0 0 0 0 0 0 0 0 TIMING: 2039000 CPU: 8185.17, 0.00394372/step Wall: 8185.17, 0.00394372/step, 0.505015 hours remaining, 114.421875 MB of memory in use. ENERGY: 2039000 666.1372 1806.9400 1965.8673 104.1202 0.6892 -1079.5061 0.0000 0.0000 2678.2926 6142.5404 295.8249 3464.2478 6177.4529 296.1655 PRESSURE: 2039200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2039200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2039200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2039200 0 0 0 0 0 0 0 0 0 TIMING: 2039200 CPU: 8185.95, 0.00393658/step Wall: 8185.95, 0.00393658/step, 0.503882 hours remaining, 114.421875 MB of memory in use. ENERGY: 2039200 646.1614 1838.0593 1957.6563 103.6514 2.4442 -1130.7658 0.0000 0.0000 2655.9679 6073.1747 293.3590 3417.2068 6108.7150 294.5689 PRESSURE: 2039400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2039400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2039400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2039400 0 0 0 0 0 0 0 0 0 TIMING: 2039400 CPU: 8186.74, 0.00394059/step Wall: 8186.74, 0.00394059/step, 0.504177 hours remaining, 114.421875 MB of memory in use. ENERGY: 2039400 700.7123 1817.5330 1965.0757 103.0959 1.2926 -1097.7747 0.0000 0.0000 2658.3219 6148.2565 293.6191 3489.9347 6180.8782 294.6758 PRESSURE: 2039600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2039600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2039600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2039600 0 0 0 0 0 0 0 0 0 TIMING: 2039600 CPU: 8187.53, 0.003943/step Wall: 8187.53, 0.003943/step, 0.504266 hours remaining, 114.421875 MB of memory in use. ENERGY: 2039600 635.4422 1810.3206 1984.0643 114.1362 1.1716 -1089.1272 0.0000 0.0000 2703.8640 6159.8716 298.6493 3456.0076 6193.4697 295.9784 PRESSURE: 2039800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2039800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2039800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2039800 0 0 0 0 0 0 0 0 0 TIMING: 2039800 CPU: 8188.32, 0.00394104/step Wall: 8188.32, 0.00394104/step, 0.503797 hours remaining, 114.421875 MB of memory in use. ENERGY: 2039800 654.3398 1864.3393 1957.5687 106.8577 1.1629 -1098.6954 0.0000 0.0000 2693.2701 6178.8431 297.4792 3485.5730 6210.0365 296.9378 PRESSURE: 2040000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2040000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2040000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2040000 0 0 0 0 0 0 0 0 0 TIMING: 2040000 CPU: 8189.11, 0.00394781/step Wall: 8189.11, 0.00394781/step, 0.504443 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2040000 653.2703 1869.0732 1944.3000 123.1993 2.7650 -1075.2942 0.0000 0.0000 2694.7530 6212.0665 297.6430 3517.3136 6244.2310 298.0083 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2040000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2040000 WRITING COORDINATES TO RESTART FILE AT STEP 2040000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2040000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2040200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2040200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2040200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2040200 0 0 0 0 0 0 0 0 0 TIMING: 2040200 CPU: 8191.2, 0.0104362/step Wall: 8191.2, 0.0104362/step, 1.33294 hours remaining, 114.421875 MB of memory in use. ENERGY: 2040200 646.5416 1844.5334 1960.7509 113.6709 2.3224 -1076.7122 0.0000 0.0000 2719.4563 6210.5634 300.3715 3491.1071 6241.1753 299.2743 LDB: ============= START OF LOAD BALANCING ============== 8194.15 LDB: ============== END OF LOAD BALANCING =============== 8194.15 LDB: =============== DONE WITH MIGRATION ================ 8194.15 LDB: ============= START OF LOAD BALANCING ============== 8194.55 LDB: ============== END OF LOAD BALANCING =============== 8194.55 LDB: =============== DONE WITH MIGRATION ================ 8194.55 PRESSURE: 2040400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2040400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2040400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2040400 0 0 0 0 0 0 0 0 0 TIMING: 2040400 CPU: 8191.98, 0.00393963/step Wall: 8191.98, 0.00393963/step, 0.502959 hours remaining, 114.421875 MB of memory in use. ENERGY: 2040400 660.9565 1857.2255 1961.7041 102.4228 0.3113 -1118.1121 0.0000 0.0000 2745.9880 6210.4960 303.3020 3464.5080 6244.1080 298.7983 PRESSURE: 2040600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2040600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2040600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2040600 0 0 0 0 0 0 0 0 0 TIMING: 2040600 CPU: 8192.77, 0.00393834/step Wall: 8192.77, 0.00393834/step, 0.502577 hours remaining, 114.421875 MB of memory in use. ENERGY: 2040600 671.6580 1862.0916 1930.3844 105.6997 0.7598 -1071.4077 0.0000 0.0000 2749.4879 6248.6737 303.6886 3499.1858 6281.9138 300.3130 PRESSURE: 2040800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2040800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2040800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2040800 0 0 0 0 0 0 0 0 0 TIMING: 2040800 CPU: 8193.56, 0.00394002/step Wall: 8193.56, 0.00394002/step, 0.502571 hours remaining, 114.421875 MB of memory in use. ENERGY: 2040800 646.3797 1836.2626 1948.2750 112.2464 0.7381 -1090.9434 0.0000 0.0000 2760.0740 6213.0324 304.8579 3452.9584 6245.6358 298.6633 PRESSURE: 2041000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2041000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2041000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2041000 0 0 0 0 0 0 0 0 0 TIMING: 2041000 CPU: 8194.35, 0.00393984/step Wall: 8194.35, 0.00393984/step, 0.50233 hours remaining, 114.421875 MB of memory in use. ENERGY: 2041000 621.7954 1838.1623 1945.2907 112.2762 1.4489 -1053.8170 0.0000 0.0000 2726.2952 6191.4517 301.1269 3465.1565 6224.3376 299.1552 PRESSURE: 2041200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2041200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2041200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2041200 0 0 0 0 0 0 0 0 0 TIMING: 2041200 CPU: 8195.14, 0.00394189/step Wall: 8195.14, 0.00394189/step, 0.502373 hours remaining, 114.421875 MB of memory in use. ENERGY: 2041200 646.8542 1817.4189 1927.2928 95.8794 2.3704 -1065.0481 0.0000 0.0000 2766.6459 6191.4136 305.5838 3424.7677 6227.1852 298.4059 PRESSURE: 2041400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2041400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2041400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2041400 0 0 0 0 0 0 0 0 0 TIMING: 2041400 CPU: 8196.16, 0.00513701/step Wall: 8196.16, 0.005137/step, 0.654397 hours remaining, 114.421875 MB of memory in use. ENERGY: 2041400 692.0875 1876.6441 1966.7756 117.4546 1.5308 -1085.1273 0.0000 0.0000 2662.7955 6232.1608 294.1132 3569.3653 6266.7915 298.8288 PRESSURE: 2041600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2041600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2041600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2041600 0 0 0 0 0 0 0 0 0 TIMING: 2041600 CPU: 8196.96, 0.00396549/step Wall: 8196.96, 0.0039655/step, 0.50494 hours remaining, 114.421875 MB of memory in use. ENERGY: 2041600 644.8480 1853.3667 1948.7622 104.1846 0.4901 -1068.3950 0.0000 0.0000 2729.7926 6213.0492 301.5132 3483.2566 6248.4574 301.0410 PRESSURE: 2041800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2041800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2041800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2041800 0 0 0 0 0 0 0 0 0 TIMING: 2041800 CPU: 8197.74, 0.00394303/step Wall: 8197.74, 0.00394303/step, 0.50186 hours remaining, 114.421875 MB of memory in use. ENERGY: 2041800 664.1620 1845.8073 1958.4391 113.0724 1.0507 -1035.9221 0.0000 0.0000 2686.2249 6232.8345 296.7010 3546.6096 6264.5530 297.7894 PRESSURE: 2042000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2042000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2042000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2042000 0 0 0 0 0 0 0 0 0 TIMING: 2042000 CPU: 8198.53, 0.00394259/step Wall: 8198.53, 0.00394259/step, 0.501586 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2042000 664.4789 1927.3673 1948.0032 105.3232 -0.3796 -1103.6031 0.0000 0.0000 2690.1025 6231.2923 297.1293 3541.1897 6263.9303 300.5717 PRESSURE: 2042200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2042200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2042200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2042200 0 0 0 0 0 0 0 0 0 TIMING: 2042200 CPU: 8199.32, 0.00394243/step Wall: 8199.32, 0.00394243/step, 0.501346 hours remaining, 114.421875 MB of memory in use. ENERGY: 2042200 677.1625 1818.6118 1926.0627 110.0310 1.1138 -1079.9099 0.0000 0.0000 2697.1369 6150.2088 297.9063 3453.0720 6182.2544 299.7187 PRESSURE: 2042400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2042400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2042400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2042400 0 0 0 0 0 0 0 0 0 TIMING: 2042400 CPU: 8200.11, 0.00394204/step Wall: 8200.11, 0.00394204/step, 0.501077 hours remaining, 114.421875 MB of memory in use. ENERGY: 2042400 636.4836 1884.7365 1944.5289 95.4890 1.2307 -1086.1692 0.0000 0.0000 2643.8958 6120.1953 292.0257 3476.2995 6149.7338 294.5473 PRESSURE: 2042600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2042600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2042600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2042600 0 0 0 0 0 0 0 0 0 TIMING: 2042600 CPU: 8200.9, 0.00393477/step Wall: 8200.9, 0.00393477/step, 0.499935 hours remaining, 114.421875 MB of memory in use. ENERGY: 2042600 657.3548 1849.0026 1949.9963 104.1062 1.2711 -1090.1948 0.0000 0.0000 2688.4467 6159.9829 296.9464 3471.5361 6195.3790 294.7981 PRESSURE: 2042800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2042800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2042800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2042800 0 0 0 0 0 0 0 0 0 TIMING: 2042800 CPU: 8201.69, 0.00394153/step Wall: 8201.69, 0.00394153/step, 0.500574 hours remaining, 114.421875 MB of memory in use. ENERGY: 2042800 648.9553 1807.4349 1897.7423 104.5051 0.5906 -1059.0466 0.0000 0.0000 2703.1159 6103.2974 298.5667 3400.1815 6137.3623 295.3742 PRESSURE: 2043000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2043000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2043000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2043000 0 0 0 0 0 0 0 0 0 TIMING: 2043000 CPU: 8202.47, 0.0039407/step Wall: 8202.47, 0.0039407/step, 0.50025 hours remaining, 114.421875 MB of memory in use. ENERGY: 2043000 638.1785 1839.7635 1941.3105 111.8586 0.5665 -1051.5903 0.0000 0.0000 2683.1600 6163.2472 296.3625 3480.0872 6197.3551 294.2889 PRESSURE: 2043200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2043200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2043200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2043200 0 0 0 0 0 0 0 0 0 TIMING: 2043200 CPU: 8203.26, 0.00393991/step Wall: 8203.26, 0.00393991/step, 0.499931 hours remaining, 114.421875 MB of memory in use. ENERGY: 2043200 659.3082 1859.5437 1960.7421 115.4346 -0.1157 -1079.0167 0.0000 0.0000 2661.2352 6177.1314 293.9408 3515.8962 6208.6559 298.2290 PRESSURE: 2043400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2043400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2043400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2043400 0 0 0 0 0 0 0 0 0 TIMING: 2043400 CPU: 8204.05, 0.00393707/step Wall: 8204.05, 0.00393707/step, 0.499352 hours remaining, 114.421875 MB of memory in use. ENERGY: 2043400 654.7477 1826.8421 1937.3313 112.1248 -1.4952 -1066.6866 0.0000 0.0000 2731.6855 6194.5496 301.7223 3462.8642 6230.6898 300.2249 PRESSURE: 2043600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2043600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2043600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2043600 0 0 0 0 0 0 0 0 0 TIMING: 2043600 CPU: 8204.84, 0.00394047/step Wall: 8204.84, 0.00394047/step, 0.499565 hours remaining, 114.421875 MB of memory in use. ENERGY: 2043600 643.7983 1871.4277 1972.6921 116.7011 0.4822 -1078.5896 0.0000 0.0000 2702.6683 6229.1802 298.5172 3526.5119 6261.2723 298.5593 PRESSURE: 2043800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2043800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2043800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2043800 0 0 0 0 0 0 0 0 0 TIMING: 2043800 CPU: 8205.63, 0.0039562/step Wall: 8205.63, 0.0039562/step, 0.501339 hours remaining, 114.421875 MB of memory in use. ENERGY: 2043800 666.6645 1827.9110 1935.5465 99.2662 0.8612 -1074.9328 0.0000 0.0000 2733.5049 6188.8216 301.9232 3455.3166 6222.0787 299.1144 PRESSURE: 2044000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2044000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2044000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2044000 0 0 0 0 0 0 0 0 0 TIMING: 2044000 CPU: 8206.42, 0.00394546/step Wall: 8206.42, 0.00394546/step, 0.499758 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2044000 641.5920 1851.5820 1965.7101 106.9319 1.4190 -1111.8573 0.0000 0.0000 2734.4345 6189.8123 302.0259 3455.3778 6226.0733 298.0705 PRESSURE: 2044200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2044200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2044200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2044200 0 0 0 0 0 0 0 0 0 TIMING: 2044200 CPU: 8207.21, 0.00394368/step Wall: 8207.21, 0.00394368/step, 0.499314 hours remaining, 114.421875 MB of memory in use. ENERGY: 2044200 643.8965 1883.0763 1907.5453 97.1529 0.3982 -1082.8189 0.0000 0.0000 2751.5489 6200.7993 303.9162 3449.2504 6235.4145 298.0808 LDB: ============= START OF LOAD BALANCING ============== 8210.16 LDB: ============== END OF LOAD BALANCING =============== 8210.16 LDB: =============== DONE WITH MIGRATION ================ 8210.16 LDB: ============= START OF LOAD BALANCING ============== 8210.56 LDB: ============== END OF LOAD BALANCING =============== 8210.56 LDB: =============== DONE WITH MIGRATION ================ 8210.56 PRESSURE: 2044400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2044400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2044400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2044400 0 0 0 0 0 0 0 0 0 TIMING: 2044400 CPU: 8207.99, 0.00394138/step Wall: 8207.99, 0.00394138/step, 0.498804 hours remaining, 114.421875 MB of memory in use. ENERGY: 2044400 667.7823 1861.1244 1986.3285 109.8142 0.2967 -1088.1270 0.0000 0.0000 2733.8760 6271.0951 301.9642 3537.2191 6300.4925 301.6764 PRESSURE: 2044600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2044600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2044600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2044600 0 0 0 0 0 0 0 0 0 TIMING: 2044600 CPU: 8208.78, 0.0039398/step Wall: 8208.78, 0.0039398/step, 0.498384 hours remaining, 114.421875 MB of memory in use. ENERGY: 2044600 655.3485 1855.3735 2001.2275 117.6124 0.9541 -1109.9078 0.0000 0.0000 2720.8835 6241.4918 300.5292 3520.6083 6274.6671 302.2318 PRESSURE: 2044800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2044800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2044800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2044800 0 0 0 0 0 0 0 0 0 TIMING: 2044800 CPU: 8209.57, 0.00394222/step Wall: 8209.57, 0.00394222/step, 0.498472 hours remaining, 114.421875 MB of memory in use. ENERGY: 2044800 665.1573 1885.1666 1975.0869 112.0908 0.5567 -1107.4250 0.0000 0.0000 2737.9418 6268.5751 302.4133 3530.6333 6302.9038 301.9460 PRESSURE: 2045000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2045000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2045000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2045000 0 0 0 0 0 0 0 0 0 TIMING: 2045000 CPU: 8210.36, 0.00394137/step Wall: 8210.36, 0.00394136/step, 0.498145 hours remaining, 114.421875 MB of memory in use. ENERGY: 2045000 700.3469 1848.0392 1935.7387 102.6042 0.6379 -1061.7738 0.0000 0.0000 2719.9757 6245.5690 300.4289 3525.5932 6281.5176 301.8652 PRESSURE: 2045200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2045200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2045200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2045200 0 0 0 0 0 0 0 0 0 TIMING: 2045200 CPU: 8211.15, 0.00394135/step Wall: 8211.15, 0.00394136/step, 0.497925 hours remaining, 114.421875 MB of memory in use. ENERGY: 2045200 702.6873 1873.2296 1944.2002 116.1500 0.7246 -1071.2497 0.0000 0.0000 2697.8667 6263.6088 297.9869 3565.7420 6293.3492 301.7157 PRESSURE: 2045400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2045400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2045400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2045400 0 0 0 0 0 0 0 0 0 TIMING: 2045400 CPU: 8211.93, 0.00393538/step Wall: 8211.93, 0.00393538/step, 0.496952 hours remaining, 114.421875 MB of memory in use. ENERGY: 2045400 677.5591 1845.4852 1975.6235 105.3320 0.5176 -1089.8838 0.0000 0.0000 2740.3582 6254.9917 302.6802 3514.6335 6289.4684 305.2751 PRESSURE: 2045600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2045600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2045600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2045600 0 0 0 0 0 0 0 0 0 TIMING: 2045600 CPU: 8212.72, 0.00394174/step Wall: 8212.72, 0.00394174/step, 0.497535 hours remaining, 114.421875 MB of memory in use. ENERGY: 2045600 708.2643 1854.5204 1969.9297 109.3613 0.3897 -1099.3358 0.0000 0.0000 2765.1499 6308.2794 305.4185 3543.1295 6338.9600 303.3808 PRESSURE: 2045800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2045800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2045800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2045800 0 0 0 0 0 0 0 0 0 TIMING: 2045800 CPU: 8213.51, 0.00394403/step Wall: 8213.51, 0.00394403/step, 0.497604 hours remaining, 114.421875 MB of memory in use. ENERGY: 2045800 668.5275 1879.8265 1955.0960 115.9936 0.6944 -1087.8217 0.0000 0.0000 2795.5995 6327.9160 308.7818 3532.3165 6362.1458 306.2233 PRESSURE: 2046000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2046000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2046000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2046000 0 0 0 0 0 0 0 0 0 TIMING: 2046000 CPU: 8214.3, 0.00394148/step Wall: 8214.3, 0.00394148/step, 0.497064 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2046000 700.0565 1887.5873 1954.3032 112.3867 0.2926 -1092.1984 0.0000 0.0000 2746.3469 6308.7749 303.3417 3562.4279 6341.0328 305.5891 PRESSURE: 2046200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2046200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2046200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2046200 0 0 0 0 0 0 0 0 0 TIMING: 2046200 CPU: 8215.09, 0.0039431/step Wall: 8215.09, 0.0039431/step, 0.49705 hours remaining, 114.421875 MB of memory in use. ENERGY: 2046200 680.9560 1827.8580 1985.5785 109.8243 0.0041 -1041.6368 0.0000 0.0000 2776.3248 6338.9088 306.6528 3562.5840 6373.0614 306.3239 PRESSURE: 2046400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2046400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2046400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2046400 0 0 0 0 0 0 0 0 0 TIMING: 2046400 CPU: 8215.88, 0.00393704/step Wall: 8215.88, 0.00393704/step, 0.496067 hours remaining, 114.421875 MB of memory in use. ENERGY: 2046400 666.2099 1827.3733 1957.7176 110.8659 2.6505 -1069.6713 0.0000 0.0000 2769.8662 6265.0121 305.9394 3495.1459 6298.7136 304.6242 PRESSURE: 2046600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2046600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2046600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2046600 0 0 0 0 0 0 0 0 0 TIMING: 2046600 CPU: 8216.66, 0.00394151/step Wall: 8216.66, 0.00394151/step, 0.496412 hours remaining, 114.421875 MB of memory in use. ENERGY: 2046600 652.9771 1866.2798 1964.0094 106.1273 1.6473 -1090.0557 0.0000 0.0000 2731.3289 6232.3140 301.6829 3500.9851 6266.2011 302.9385 PRESSURE: 2046800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2046800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2046800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2046800 0 0 0 0 0 0 0 0 0 TIMING: 2046800 CPU: 8217.45, 0.0039425/step Wall: 8217.45, 0.0039425/step, 0.496317 hours remaining, 114.421875 MB of memory in use. ENERGY: 2046800 666.7499 1921.9155 1944.0820 110.8849 2.3388 -1099.6713 0.0000 0.0000 2714.9049 6261.2047 299.8688 3546.2998 6293.0700 302.3717 PRESSURE: 2047000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2047000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2047000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2047000 0 0 0 0 0 0 0 0 0 TIMING: 2047000 CPU: 8218.24, 0.00395594/step Wall: 8218.24, 0.00395594/step, 0.497789 hours remaining, 114.421875 MB of memory in use. ENERGY: 2047000 664.7676 1837.3566 1978.1986 108.5030 0.8288 -1082.1270 0.0000 0.0000 2799.7862 6307.3139 309.2442 3507.5277 6341.0719 303.1579 PRESSURE: 2047200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2047200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2047200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2047200 0 0 0 0 0 0 0 0 0 TIMING: 2047200 CPU: 8219.03, 0.00393796/step Wall: 8219.03, 0.00393796/step, 0.495308 hours remaining, 114.421875 MB of memory in use. ENERGY: 2047200 672.9936 1947.1822 1939.7229 119.0664 1.3890 -1121.0667 0.0000 0.0000 2711.6684 6270.9558 299.5113 3559.2874 6304.7927 303.7324 PRESSURE: 2047400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2047400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2047400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2047400 0 0 0 0 0 0 0 0 0 TIMING: 2047400 CPU: 8219.82, 0.00394062/step Wall: 8219.82, 0.00394062/step, 0.495424 hours remaining, 114.421875 MB of memory in use. ENERGY: 2047400 639.3966 1857.7184 1949.9514 112.6735 2.1376 -1062.8816 0.0000 0.0000 2723.8914 6222.8873 300.8614 3498.9959 6257.2557 301.6602 PRESSURE: 2047600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2047600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2047600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2047600 0 0 0 0 0 0 0 0 0 TIMING: 2047600 CPU: 8220.61, 0.00394164/step Wall: 8220.61, 0.00394164/step, 0.495333 hours remaining, 114.421875 MB of memory in use. ENERGY: 2047600 689.6407 1954.3836 1950.2554 117.1378 0.4253 -1116.9711 0.0000 0.0000 2648.7332 6243.6049 292.5600 3594.8716 6275.8632 300.5984 PRESSURE: 2047800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2047800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2047800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2047800 0 0 0 0 0 0 0 0 0 TIMING: 2047800 CPU: 8221.4, 0.00394285/step Wall: 8221.4, 0.00394285/step, 0.495266 hours remaining, 114.421875 MB of memory in use. ENERGY: 2047800 616.3161 1889.5132 1949.2642 111.6846 0.3282 -1092.8826 0.0000 0.0000 2792.8670 6267.0906 308.4799 3474.2237 6302.5143 300.9322 PRESSURE: 2048000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2048000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2048000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2048000 0 0 0 0 0 0 0 0 0 TIMING: 2048000 CPU: 8222.18, 0.00394148/step Wall: 8222.18, 0.00394148/step, 0.494874 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2048000 654.1497 1873.3711 1967.1876 99.8523 1.9333 -1065.1989 0.0000 0.0000 2704.2841 6235.5792 298.6957 3531.2951 6270.8867 301.6684 PRESSURE: 2048200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2048200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2048200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2048200 0 0 0 0 0 0 0 0 0 TIMING: 2048200 CPU: 8222.97, 0.00393747/step Wall: 8222.97, 0.00393747/step, 0.494152 hours remaining, 114.421875 MB of memory in use. ENERGY: 2048200 648.3797 1853.4951 1969.0494 108.6416 1.6198 -1132.7720 0.0000 0.0000 2807.6515 6256.0651 310.1129 3448.4136 6291.4935 302.2402 LDB: ============= START OF LOAD BALANCING ============== 8225.93 LDB: ============== END OF LOAD BALANCING =============== 8225.93 LDB: =============== DONE WITH MIGRATION ================ 8225.93 LDB: ============= START OF LOAD BALANCING ============== 8226.33 LDB: ============== END OF LOAD BALANCING =============== 8226.33 LDB: =============== DONE WITH MIGRATION ================ 8226.33 PRESSURE: 2048400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2048400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2048400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2048400 0 0 0 0 0 0 0 0 0 TIMING: 2048400 CPU: 8223.76, 0.00394584/step Wall: 8223.76, 0.00394584/step, 0.494983 hours remaining, 114.421875 MB of memory in use. ENERGY: 2048400 645.9871 1882.6752 1972.0479 111.8344 1.3979 -1070.5752 0.0000 0.0000 2718.6638 6262.0311 300.2840 3543.3673 6293.0167 303.1988 PRESSURE: 2048600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2048600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2048600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2048600 0 0 0 0 0 0 0 0 0 TIMING: 2048600 CPU: 8224.55, 0.00394164/step Wall: 8224.55, 0.00394164/step, 0.494238 hours remaining, 114.421875 MB of memory in use. ENERGY: 2048600 667.2651 1859.3864 1973.8471 105.4296 -0.4134 -1085.1939 0.0000 0.0000 2749.2914 6269.6123 303.6669 3520.3210 6303.6288 301.6621 PRESSURE: 2048800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2048800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2048800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2048800 0 0 0 0 0 0 0 0 0 TIMING: 2048800 CPU: 8225.34, 0.00394085/step Wall: 8225.34, 0.00394085/step, 0.49392 hours remaining, 114.421875 MB of memory in use. ENERGY: 2048800 681.1740 1841.6818 1959.7659 112.5710 1.1615 -1092.1442 0.0000 0.0000 2722.2867 6226.4967 300.6842 3504.2100 6258.8511 302.4816 PRESSURE: 2049000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2049000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2049000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2049000 0 0 0 0 0 0 0 0 0 TIMING: 2049000 CPU: 8226.13, 0.00394079/step Wall: 8226.13, 0.00394079/step, 0.493694 hours remaining, 114.421875 MB of memory in use. ENERGY: 2049000 630.9990 1871.3206 1981.6224 110.7984 2.3105 -1074.5299 0.0000 0.0000 2689.2828 6211.8038 297.0388 3522.5211 6241.6152 301.5514 PRESSURE: 2049200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2049200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2049200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2049200 0 0 0 0 0 0 0 0 0 TIMING: 2049200 CPU: 8226.91, 0.00393653/step Wall: 8226.91, 0.00393653/step, 0.49294 hours remaining, 114.421875 MB of memory in use. ENERGY: 2049200 622.2825 1864.2323 1981.4131 109.3757 2.4525 -1103.6787 0.0000 0.0000 2684.5358 6160.6132 296.5145 3476.0774 6193.7117 299.1395 PRESSURE: 2049400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2049400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2049400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2049400 0 0 0 0 0 0 0 0 0 TIMING: 2049400 CPU: 8227.7, 0.00394165/step Wall: 8227.7, 0.00394165/step, 0.493363 hours remaining, 114.421875 MB of memory in use. ENERGY: 2049400 704.3883 1866.3446 1957.9939 95.2763 1.0504 -1099.4607 0.0000 0.0000 2627.6057 6153.1985 290.2264 3525.5928 6181.3983 295.6476 PRESSURE: 2049600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2049600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2049600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2049600 0 0 0 0 0 0 0 0 0 TIMING: 2049600 CPU: 8228.49, 0.00394136/step Wall: 8228.49, 0.00394136/step, 0.493107 hours remaining, 114.421875 MB of memory in use. ENERGY: 2049600 684.8355 1820.0227 1995.2188 106.2070 0.9310 -1058.5928 0.0000 0.0000 2703.0095 6251.6316 298.5549 3548.6221 6281.0025 297.8757 PRESSURE: 2049800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2049800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2049800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2049800 0 0 0 0 0 0 0 0 0 TIMING: 2049800 CPU: 8229.28, 0.00394099/step Wall: 8229.28, 0.00394099/step, 0.492843 hours remaining, 114.421875 MB of memory in use. ENERGY: 2049800 673.8505 1873.9809 1979.0345 114.3971 1.0399 -1130.8490 0.0000 0.0000 2706.7230 6218.1769 298.9651 3511.4539 6253.8493 301.1596 PRESSURE: 2050000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2050000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2050000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2050000 0 0 0 0 0 0 0 0 0 TIMING: 2050000 CPU: 8230.07, 0.0039388/step Wall: 8230.07, 0.0039388/step, 0.49235 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2050000 698.3140 1876.7243 1970.9590 106.8080 0.8131 -1124.2613 0.0000 0.0000 2693.3573 6222.7144 297.4888 3529.3570 6253.0675 300.0786 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2050000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2050000 WRITING COORDINATES TO RESTART FILE AT STEP 2050000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2050000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2050200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2050200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2050200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2050200 0 0 0 0 0 0 0 0 0 TIMING: 2050200 CPU: 8230.89, 0.00411872/step Wall: 8230.89, 0.00411872/step, 0.514611 hours remaining, 114.421875 MB of memory in use. ENERGY: 2050200 633.6080 1858.9601 2002.1930 117.7345 0.6031 -1106.6686 0.0000 0.0000 2684.4179 6190.8481 296.5014 3506.4302 6224.5713 301.0690 PRESSURE: 2050400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2050400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2050400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2050400 0 0 0 0 0 0 0 0 0 TIMING: 2050400 CPU: 8231.68, 0.00394171/step Wall: 8231.68, 0.00394171/step, 0.492276 hours remaining, 114.421875 MB of memory in use. ENERGY: 2050400 670.7233 1871.2827 1948.2574 102.8204 0.7076 -1095.2097 0.0000 0.0000 2682.5315 6181.1132 296.2931 3498.5817 6213.0680 297.8830 PRESSURE: 2050600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2050600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2050600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2050600 0 0 0 0 0 0 0 0 0 TIMING: 2050600 CPU: 8232.47, 0.00393945/step Wall: 8232.47, 0.00393945/step, 0.491775 hours remaining, 114.421875 MB of memory in use. ENERGY: 2050600 664.9604 1888.3117 2002.5115 106.5522 1.2723 -1111.4924 0.0000 0.0000 2673.1568 6225.2726 295.2576 3552.1157 6258.5018 299.6855 PRESSURE: 2050800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2050800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2050800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2050800 0 0 0 0 0 0 0 0 0 TIMING: 2050800 CPU: 8233.25, 0.00394143/step Wall: 8233.25, 0.00394143/step, 0.491802 hours remaining, 114.421875 MB of memory in use. ENERGY: 2050800 657.8085 1920.0837 1969.9626 102.5810 0.6731 -1137.3258 0.0000 0.0000 2714.7915 6228.5746 299.8563 3513.7831 6262.6500 300.9193 PRESSURE: 2051000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2051000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2051000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2051000 0 0 0 0 0 0 0 0 0 TIMING: 2051000 CPU: 8234.04, 0.00393929/step Wall: 8234.04, 0.00393929/step, 0.491318 hours remaining, 114.421875 MB of memory in use. ENERGY: 2051000 646.6911 1865.5352 2005.1870 116.4320 1.5745 -1108.1625 0.0000 0.0000 2714.8637 6242.1211 299.8643 3527.2574 6274.8338 301.5951 PRESSURE: 2051200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2051200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2051200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2051200 0 0 0 0 0 0 0 0 0 TIMING: 2051200 CPU: 8234.83, 0.00394099/step Wall: 8234.83, 0.00394099/step, 0.491309 hours remaining, 114.421875 MB of memory in use. ENERGY: 2051200 660.7176 1836.5521 1971.0372 108.3531 1.3124 -1048.9006 0.0000 0.0000 2704.0129 6233.0846 298.6658 3529.0717 6266.9377 299.7847 PRESSURE: 2051400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2051400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2051400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2051400 0 0 0 0 0 0 0 0 0 TIMING: 2051400 CPU: 8235.62, 0.0039412/step Wall: 8235.62, 0.0039412/step, 0.491117 hours remaining, 114.421875 MB of memory in use. ENERGY: 2051400 669.7712 1887.5318 1981.9864 103.9956 0.8636 -1106.2622 0.0000 0.0000 2672.6970 6210.5834 295.2068 3537.8864 6240.3028 301.4123 PRESSURE: 2051600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2051600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2051600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2051600 0 0 0 0 0 0 0 0 0 TIMING: 2051600 CPU: 8236.41, 0.00394124/step Wall: 8236.41, 0.00394124/step, 0.490903 hours remaining, 114.421875 MB of memory in use. ENERGY: 2051600 616.6253 1800.8339 1967.3295 117.7440 0.2164 -1042.4651 0.0000 0.0000 2737.9798 6198.2638 302.4175 3460.2840 6233.0406 297.8610 PRESSURE: 2051800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2051800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2051800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2051800 0 0 0 0 0 0 0 0 0 TIMING: 2051800 CPU: 8237.19, 0.00394102/step Wall: 8237.19, 0.00394102/step, 0.490658 hours remaining, 114.421875 MB of memory in use. ENERGY: 2051800 665.2389 1878.5082 1984.1117 97.7803 0.8457 -1088.9115 0.0000 0.0000 2706.4566 6244.0299 298.9357 3537.5733 6274.0676 301.3573 PRESSURE: 2052000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2052000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2052000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2052000 0 0 0 0 0 0 0 0 0 TIMING: 2052000 CPU: 8237.98, 0.00393751/step Wall: 8237.98, 0.00393751/step, 0.490001 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2052000 633.6131 1888.4922 1952.6505 103.0427 0.7777 -1104.7748 0.0000 0.0000 2804.3099 6278.1112 309.7438 3473.8013 6317.4247 302.9817 PRESSURE: 2052200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2052200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2052200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2052200 0 0 0 0 0 0 0 0 0 TIMING: 2052200 CPU: 8238.77, 0.00394213/step Wall: 8238.77, 0.00394212/step, 0.490357 hours remaining, 114.421875 MB of memory in use. ENERGY: 2052200 654.4987 1859.8073 1970.1604 108.4577 1.4061 -1100.4879 0.0000 0.0000 2756.2944 6250.1367 304.4404 3493.8423 6283.1317 300.9839 LDB: ============= START OF LOAD BALANCING ============== 8241.73 LDB: ============== END OF LOAD BALANCING =============== 8241.73 LDB: =============== DONE WITH MIGRATION ================ 8241.73 LDB: ============= START OF LOAD BALANCING ============== 8242.12 LDB: ============== END OF LOAD BALANCING =============== 8242.12 LDB: =============== DONE WITH MIGRATION ================ 8242.12 PRESSURE: 2052400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2052400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2052400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2052400 0 0 0 0 0 0 0 0 0 TIMING: 2052400 CPU: 8239.56, 0.00394593/step Wall: 8239.56, 0.00394593/step, 0.490611 hours remaining, 114.421875 MB of memory in use. ENERGY: 2052400 640.1017 1863.9352 1946.2543 105.2439 0.5254 -1080.5538 0.0000 0.0000 2782.0433 6257.5500 307.2844 3475.5067 6292.9687 301.8655 PRESSURE: 2052600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2052600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2052600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2052600 0 0 0 0 0 0 0 0 0 TIMING: 2052600 CPU: 8240.35, 0.00394165/step Wall: 8240.35, 0.00394165/step, 0.489859 hours remaining, 114.421875 MB of memory in use. ENERGY: 2052600 643.0789 1842.2835 1952.2964 114.1435 -0.2113 -1038.5711 0.0000 0.0000 2757.5269 6270.5468 304.5765 3513.0199 6307.2292 303.3199 PRESSURE: 2052800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2052800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2052800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2052800 0 0 0 0 0 0 0 0 0 TIMING: 2052800 CPU: 8241.14, 0.00394253/step Wall: 8241.14, 0.00394253/step, 0.48975 hours remaining, 114.421875 MB of memory in use. ENERGY: 2052800 670.3966 1862.5646 1986.0429 111.8412 1.5190 -1072.8316 0.0000 0.0000 2726.4425 6285.9753 301.1432 3559.5328 6320.7978 302.4751 PRESSURE: 2053000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2053000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2053000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2053000 0 0 0 0 0 0 0 0 0 TIMING: 2053000 CPU: 8241.92, 0.0039369/step Wall: 8241.92, 0.0039369/step, 0.488832 hours remaining, 114.421875 MB of memory in use. ENERGY: 2053000 598.2801 1885.7279 1932.5924 125.4113 0.6429 -1026.3426 0.0000 0.0000 2771.2345 6287.5467 306.0906 3516.3122 6320.3646 302.4127 PRESSURE: 2053200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2053200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2053200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2053200 0 0 0 0 0 0 0 0 0 TIMING: 2053200 CPU: 8242.71, 0.0039429/step Wall: 8242.71, 0.0039429/step, 0.489358 hours remaining, 114.421875 MB of memory in use. ENERGY: 2053200 656.5409 1868.9671 1954.9637 114.0671 0.8392 -1056.5562 0.0000 0.0000 2712.4270 6251.2489 299.5951 3538.8219 6283.8335 303.4494 PRESSURE: 2053400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2053400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2053400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2053400 0 0 0 0 0 0 0 0 0 TIMING: 2053400 CPU: 8243.5, 0.00394275/step Wall: 8243.5, 0.00394275/step, 0.48912 hours remaining, 114.421875 MB of memory in use. ENERGY: 2053400 652.8866 1884.1552 1937.9393 107.6761 0.1435 -1090.2848 0.0000 0.0000 2727.8939 6220.4098 301.3035 3492.5159 6256.0365 300.4194 PRESSURE: 2053600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2053600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2053600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2053600 0 0 0 0 0 0 0 0 0 TIMING: 2053600 CPU: 8244.29, 0.00394374/step Wall: 8244.29, 0.00394374/step, 0.489024 hours remaining, 114.421875 MB of memory in use. ENERGY: 2053600 667.2333 1899.6351 1952.1484 99.1186 1.3398 -1090.8401 0.0000 0.0000 2753.1284 6281.7635 304.0907 3528.6351 6312.8835 301.4111 PRESSURE: 2053800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2053800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2053800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2053800 0 0 0 0 0 0 0 0 0 TIMING: 2053800 CPU: 8245.08, 0.00394095/step Wall: 8245.08, 0.00394095/step, 0.488459 hours remaining, 114.421875 MB of memory in use. ENERGY: 2053800 662.7267 1902.9056 1970.9010 113.1592 1.1069 -1101.3243 0.0000 0.0000 2670.1394 6219.6146 294.9243 3549.4752 6252.7414 301.5416 PRESSURE: 2054000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2054000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2054000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2054000 0 0 0 0 0 0 0 0 0 TIMING: 2054000 CPU: 8245.87, 0.00394328/step Wall: 8245.87, 0.00394328/step, 0.488529 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2054000 666.1253 1849.0687 1960.9288 120.5139 0.7449 -1084.4565 0.0000 0.0000 2761.7313 6274.6564 305.0409 3512.9252 6307.9561 301.3698 PRESSURE: 2054200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2054200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2054200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2054200 0 0 0 0 0 0 0 0 0 TIMING: 2054200 CPU: 8246.66, 0.00394259/step Wall: 8246.66, 0.00394259/step, 0.488225 hours remaining, 114.421875 MB of memory in use. ENERGY: 2054200 662.8140 1863.1532 1979.0337 96.2104 0.1338 -1097.6456 0.0000 0.0000 2748.9732 6252.6727 303.6318 3503.6995 6283.4318 302.3065 PRESSURE: 2054400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2054400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2054400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2054400 0 0 0 0 0 0 0 0 0 TIMING: 2054400 CPU: 8247.44, 0.00394317/step Wall: 8247.44, 0.00394317/step, 0.488076 hours remaining, 114.421875 MB of memory in use. ENERGY: 2054400 651.7514 1832.8772 1959.1192 106.5243 1.3449 -1055.2465 0.0000 0.0000 2714.1875 6210.5579 299.7896 3496.3704 6242.5919 302.1872 PRESSURE: 2054600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2054600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2054600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2054600 0 0 0 0 0 0 0 0 0 TIMING: 2054600 CPU: 8248.23, 0.00394338/step Wall: 8248.23, 0.00394338/step, 0.487884 hours remaining, 114.421875 MB of memory in use. ENERGY: 2054600 655.7388 1863.9242 1979.6337 115.0160 1.1398 -1120.3457 0.0000 0.0000 2761.3047 6256.4114 304.9938 3495.1068 6289.4863 302.3258 PRESSURE: 2054800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2054800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2054800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2054800 0 0 0 0 0 0 0 0 0 TIMING: 2054800 CPU: 8249.02, 0.0039408/step Wall: 8249.02, 0.0039408/step, 0.487346 hours remaining, 114.421875 MB of memory in use. ENERGY: 2054800 668.6625 1852.9955 1946.6516 107.3321 0.4755 -1104.9177 0.0000 0.0000 2764.9425 6236.1420 305.3956 3471.1995 6269.5635 299.7353 PRESSURE: 2055000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2055000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2055000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2055000 0 0 0 0 0 0 0 0 0 TIMING: 2055000 CPU: 8249.81, 0.00394329/step Wall: 8249.81, 0.00394329/step, 0.487435 hours remaining, 114.421875 MB of memory in use. ENERGY: 2055000 675.9247 1861.4779 1948.1710 104.5400 -0.2401 -1082.0262 0.0000 0.0000 2774.5114 6282.3587 306.4525 3507.8474 6313.9481 303.9707 PRESSURE: 2055200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2055200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2055200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2055200 0 0 0 0 0 0 0 0 0 TIMING: 2055200 CPU: 8250.6, 0.00394388/step Wall: 8250.6, 0.00394388/step, 0.487288 hours remaining, 114.421875 MB of memory in use. ENERGY: 2055200 629.3713 1925.8305 1937.8425 107.0206 -0.2289 -1071.8209 0.0000 0.0000 2720.4397 6248.4549 300.4801 3528.0152 6280.9285 304.4753 PRESSURE: 2055400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2055400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2055400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2055400 0 0 0 0 0 0 0 0 0 TIMING: 2055400 CPU: 8251.39, 0.00394492/step Wall: 8251.39, 0.00394492/step, 0.487198 hours remaining, 114.421875 MB of memory in use. ENERGY: 2055400 655.2250 1871.1770 1932.7964 104.2983 0.5999 -1083.7044 0.0000 0.0000 2759.3963 6239.7886 304.7830 3480.3922 6274.8535 302.4303 PRESSURE: 2055600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2055600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2055600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2055600 0 0 0 0 0 0 0 0 0 TIMING: 2055600 CPU: 8252.18, 0.0039443/step Wall: 8252.18, 0.0039443/step, 0.486902 hours remaining, 114.421875 MB of memory in use. ENERGY: 2055600 676.3688 1885.8015 1957.7601 114.5619 1.0443 -1109.5125 0.0000 0.0000 2673.9582 6199.9823 295.3461 3526.0240 6230.6565 300.0608 PRESSURE: 2055800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2055800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2055800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2055800 0 0 0 0 0 0 0 0 0 TIMING: 2055800 CPU: 8252.96, 0.00394042/step Wall: 8252.96, 0.00394042/step, 0.486204 hours remaining, 114.421875 MB of memory in use. ENERGY: 2055800 647.1452 1832.2389 1955.8639 98.4500 2.6289 -1095.6369 0.0000 0.0000 2695.4804 6136.1704 297.7233 3440.6900 6171.2917 297.3873 PRESSURE: 2056000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2056000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2056000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2056000 0 0 0 0 0 0 0 0 0 TIMING: 2056000 CPU: 8253.75, 0.00394376/step Wall: 8253.75, 0.00394376/step, 0.486397 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2056000 586.1888 1825.9178 1962.1713 109.5941 1.5652 -1085.9077 0.0000 0.0000 2736.2668 6135.7963 302.2283 3399.5295 6171.7968 295.9019 PRESSURE: 2056200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2056200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2056200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2056200 0 0 0 0 0 0 0 0 0 TIMING: 2056200 CPU: 8254.54, 0.0039424/step Wall: 8254.54, 0.0039424/step, 0.48601 hours remaining, 114.421875 MB of memory in use. ENERGY: 2056200 666.0688 1796.1722 1997.5388 109.4359 0.8663 -1092.8101 0.0000 0.0000 2684.9448 6162.2167 296.5596 3477.2719 6196.4891 295.9821 LDB: ============= START OF LOAD BALANCING ============== 8257.5 LDB: ============== END OF LOAD BALANCING =============== 8257.5 LDB: =============== DONE WITH MIGRATION ================ 8257.5 LDB: ============= START OF LOAD BALANCING ============== 8257.9 LDB: ============== END OF LOAD BALANCING =============== 8257.9 LDB: =============== DONE WITH MIGRATION ================ 8257.9 PRESSURE: 2056400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2056400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2056400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2056400 0 0 0 0 0 0 0 0 0 TIMING: 2056400 CPU: 8255.33, 0.00394967/step Wall: 8255.33, 0.00394967/step, 0.486687 hours remaining, 114.421875 MB of memory in use. ENERGY: 2056400 659.1951 1835.5856 1980.2005 108.8657 0.3738 -1077.8984 0.0000 0.0000 2699.4126 6205.7349 298.1576 3506.3223 6237.7598 297.3005 PRESSURE: 2056600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2056600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2056600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2056600 0 0 0 0 0 0 0 0 0 TIMING: 2056600 CPU: 8256.12, 0.00394076/step Wall: 8256.12, 0.00394076/step, 0.485371 hours remaining, 114.421875 MB of memory in use. ENERGY: 2056600 664.9233 1800.1197 1982.9860 108.8244 1.7407 -1072.4016 0.0000 0.0000 2802.9526 6289.1451 309.5939 3486.1925 6324.9009 300.8333 PRESSURE: 2056800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2056800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2056800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2056800 0 0 0 0 0 0 0 0 0 TIMING: 2056800 CPU: 8256.91, 0.00394418/step Wall: 8256.91, 0.00394418/step, 0.485572 hours remaining, 114.421875 MB of memory in use. ENERGY: 2056800 688.7624 1865.5158 1966.4488 107.1670 2.1084 -1112.7166 0.0000 0.0000 2752.4360 6269.7219 304.0142 3517.2859 6300.4420 304.0072 PRESSURE: 2057000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2057000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2057000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2057000 0 0 0 0 0 0 0 0 0 TIMING: 2057000 CPU: 8257.7, 0.00394446/step Wall: 8257.7, 0.00394446/step, 0.485388 hours remaining, 114.421875 MB of memory in use. ENERGY: 2057000 671.1375 1855.5632 1986.8847 112.4931 2.3111 -1106.6891 0.0000 0.0000 2685.6826 6207.3831 296.6411 3521.7005 6237.2389 301.5882 PRESSURE: 2057200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2057200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2057200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2057200 0 0 0 0 0 0 0 0 0 TIMING: 2057200 CPU: 8258.49, 0.00395619/step Wall: 8258.49, 0.00395619/step, 0.486611 hours remaining, 114.421875 MB of memory in use. ENERGY: 2057200 621.1634 1896.3368 1944.9111 111.1394 2.2311 -1086.5730 0.0000 0.0000 2711.1458 6200.3546 299.4536 3489.2088 6230.9437 300.3832 PRESSURE: 2057400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2057400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2057400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2057400 0 0 0 0 0 0 0 0 0 TIMING: 2057400 CPU: 8259.28, 0.00394711/step Wall: 8259.28, 0.00394711/step, 0.485275 hours remaining, 114.421875 MB of memory in use. ENERGY: 2057400 616.8659 1889.8135 1949.1782 94.9404 -0.2541 -1060.9690 0.0000 0.0000 2657.5551 6147.1301 293.5344 3489.5749 6179.2274 297.1975 PRESSURE: 2057600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2057600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2057600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2057600 0 0 0 0 0 0 0 0 0 TIMING: 2057600 CPU: 8260.07, 0.00394055/step Wall: 8260.07, 0.00394055/step, 0.48425 hours remaining, 114.421875 MB of memory in use. ENERGY: 2057600 676.9182 1818.0130 1987.3591 124.8662 -0.0008 -1100.8373 0.0000 0.0000 2624.4736 6130.7920 289.8804 3506.3184 6161.6721 295.7705 PRESSURE: 2057800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2057800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2057800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2057800 0 0 0 0 0 0 0 0 0 TIMING: 2057800 CPU: 8260.85, 0.00394296/step Wall: 8260.85, 0.00394296/step, 0.484327 hours remaining, 114.421875 MB of memory in use. ENERGY: 2057800 620.8512 1799.7048 1978.5156 117.3635 0.8202 -1052.6420 0.0000 0.0000 2727.5775 6192.1909 301.2685 3464.6134 6221.3132 298.9277 PRESSURE: 2058000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2058000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2058000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2058000 0 0 0 0 0 0 0 0 0 TIMING: 2058000 CPU: 8261.64, 0.00394489/step Wall: 8261.64, 0.00394489/step, 0.484344 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2058000 694.3067 1803.8511 1964.5414 104.4720 2.1452 -1076.5058 0.0000 0.0000 2610.9911 6103.8019 288.3912 3492.8108 6133.8798 295.4389 PRESSURE: 2058200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2058200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2058200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2058200 0 0 0 0 0 0 0 0 0 TIMING: 2058200 CPU: 8262.43, 0.0039439/step Wall: 8262.43, 0.0039439/step, 0.484004 hours remaining, 114.421875 MB of memory in use. ENERGY: 2058200 678.0229 1817.7791 1964.5979 118.3803 1.5266 -1080.9033 0.0000 0.0000 2649.8037 6149.2072 292.6782 3499.4035 6181.5244 294.6425 PRESSURE: 2058400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2058400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2058400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2058400 0 0 0 0 0 0 0 0 0 TIMING: 2058400 CPU: 8263.22, 0.00394447/step Wall: 8263.22, 0.00394447/step, 0.483855 hours remaining, 114.421875 MB of memory in use. ENERGY: 2058400 631.6317 1781.6658 2012.8878 132.0510 -0.6093 -1118.5646 0.0000 0.0000 2687.0003 6126.0627 296.7867 3439.0623 6161.5395 295.2307 PRESSURE: 2058600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2058600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2058600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2058600 0 0 0 0 0 0 0 0 0 TIMING: 2058600 CPU: 8264.05, 0.00412253/step Wall: 8264.05, 0.00412254/step, 0.505469 hours remaining, 114.421875 MB of memory in use. ENERGY: 2058600 673.0451 1800.8340 1974.7579 117.3185 1.3311 -1091.0406 0.0000 0.0000 2681.8353 6158.0812 296.2162 3476.2460 6190.3171 295.8359 PRESSURE: 2058800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2058800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2058800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2058800 0 0 0 0 0 0 0 0 0 TIMING: 2058800 CPU: 8264.83, 0.00394104/step Wall: 8264.83, 0.00394104/step, 0.482996 hours remaining, 114.421875 MB of memory in use. ENERGY: 2058800 652.4670 1828.7921 1954.0433 102.7170 2.0880 -1081.2128 0.0000 0.0000 2746.8449 6205.7395 303.3967 3458.8946 6242.0247 298.6637 PRESSURE: 2059000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2059000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2059000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2059000 0 0 0 0 0 0 0 0 0 TIMING: 2059000 CPU: 8265.62, 0.00395188/step Wall: 8265.62, 0.00395187/step, 0.484105 hours remaining, 114.421875 MB of memory in use. ENERGY: 2059000 657.1058 1869.2346 1981.0629 99.5375 0.9784 -1079.6023 0.0000 0.0000 2772.6739 6300.9909 306.2496 3528.3169 6336.5364 300.0436 PRESSURE: 2059200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2059200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2059200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2059200 0 0 0 0 0 0 0 0 0 TIMING: 2059200 CPU: 8266.75, 0.00565099/step Wall: 8266.75, 0.005651/step, 0.691933 hours remaining, 114.421875 MB of memory in use. ENERGY: 2059200 644.3753 1847.0961 1979.3662 116.9433 1.3218 -1067.2214 0.0000 0.0000 2758.5707 6280.4520 304.6918 3521.8813 6313.7678 304.5762 PRESSURE: 2059400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2059400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2059400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2059400 0 0 0 0 0 0 0 0 0 TIMING: 2059400 CPU: 8267.55, 0.00399261/step Wall: 8267.55, 0.00399261/step, 0.488651 hours remaining, 114.421875 MB of memory in use. ENERGY: 2059400 640.4611 1873.8816 1994.9790 110.0946 1.0785 -1081.5446 0.0000 0.0000 2731.8310 6270.7811 301.7383 3538.9501 6305.8251 302.3212 PRESSURE: 2059600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2059600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2059600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2059600 0 0 0 0 0 0 0 0 0 TIMING: 2059600 CPU: 8268.34, 0.00393909/step Wall: 8268.34, 0.00393909/step, 0.481881 hours remaining, 114.421875 MB of memory in use. ENERGY: 2059600 691.9492 1875.4130 1967.4376 109.9467 0.4290 -1096.6664 0.0000 0.0000 2754.3925 6302.9015 304.2303 3548.5090 6334.2218 303.9181 PRESSURE: 2059800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2059800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2059800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2059800 0 0 0 0 0 0 0 0 0 TIMING: 2059800 CPU: 8269.13, 0.00394077/step Wall: 8269.13, 0.00394077/step, 0.481869 hours remaining, 114.421875 MB of memory in use. ENERGY: 2059800 676.7131 1893.1877 1946.0221 108.3269 1.4652 -1078.4671 0.0000 0.0000 2757.6767 6304.9247 304.5931 3547.2481 6337.2039 306.0876 PRESSURE: 2060000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2060000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2060000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2060000 0 0 0 0 0 0 0 0 0 TIMING: 2060000 CPU: 8269.92, 0.00393822/step Wall: 8269.92, 0.00393822/step, 0.481338 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2060000 679.9979 1832.7778 1929.2056 107.6232 1.1824 -1077.7792 0.0000 0.0000 2798.8694 6271.8770 309.1429 3473.0076 6305.7608 304.5541 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2060000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2060000 WRITING COORDINATES TO RESTART FILE AT STEP 2060000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2060000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2060200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2060200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2060200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2060200 0 0 0 0 0 0 0 0 0 TIMING: 2060200 CPU: 8272.56, 0.0131923/step Wall: 8272.56, 0.0131923/step, 1.61166 hours remaining, 114.421875 MB of memory in use. ENERGY: 2060200 650.8669 1900.6309 1956.5909 109.8400 2.2858 -1064.0716 0.0000 0.0000 2739.3924 6295.5353 302.5735 3556.1429 6328.9896 304.2488 LDB: ============= START OF LOAD BALANCING ============== 8275.51 LDB: ============== END OF LOAD BALANCING =============== 8275.51 LDB: =============== DONE WITH MIGRATION ================ 8275.51 LDB: ============= START OF LOAD BALANCING ============== 8275.91 LDB: ============== END OF LOAD BALANCING =============== 8275.91 LDB: =============== DONE WITH MIGRATION ================ 8275.91 PRESSURE: 2060400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2060400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2060400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2060400 0 0 0 0 0 0 0 0 0 TIMING: 2060400 CPU: 8273.35, 0.00395917/step Wall: 8273.35, 0.00395918/step, 0.483459 hours remaining, 114.421875 MB of memory in use. ENERGY: 2060400 676.8359 1897.5435 1956.3525 113.6131 2.0123 -1081.0676 0.0000 0.0000 2762.8794 6328.1690 305.1677 3565.2896 6361.1696 305.1680 PRESSURE: 2060600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2060600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2060600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2060600 0 0 0 0 0 0 0 0 0 TIMING: 2060600 CPU: 8274.13, 0.00393854/step Wall: 8274.13, 0.00393854/step, 0.48072 hours remaining, 114.421875 MB of memory in use. ENERGY: 2060600 727.0659 1877.8287 1939.8490 103.9060 2.0357 -1058.0448 0.0000 0.0000 2723.5667 6316.2074 300.8255 3592.6406 6348.4364 307.3806 PRESSURE: 2060800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2060800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2060800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2060800 0 0 0 0 0 0 0 0 0 TIMING: 2060800 CPU: 8274.92, 0.00394164/step Wall: 8274.92, 0.00394164/step, 0.480881 hours remaining, 114.421875 MB of memory in use. ENERGY: 2060800 668.8862 1936.1585 1955.3082 108.6624 2.1957 -1082.8986 0.0000 0.0000 2726.6652 6314.9776 301.1678 3588.3124 6347.8871 304.8884 PRESSURE: 2061000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2061000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2061000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2061000 0 0 0 0 0 0 0 0 0 TIMING: 2061000 CPU: 8275.71, 0.00394372/step Wall: 8275.71, 0.00394372/step, 0.480914 hours remaining, 114.421875 MB of memory in use. ENERGY: 2061000 642.8114 1893.0080 1980.7902 104.3763 1.1083 -1056.8457 0.0000 0.0000 2765.5822 6330.8306 305.4663 3565.2484 6364.5321 305.1165 PRESSURE: 2061200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2061200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2061200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2061200 0 0 0 0 0 0 0 0 0 TIMING: 2061200 CPU: 8276.5, 0.00394284/step Wall: 8276.5, 0.00394284/step, 0.480589 hours remaining, 114.421875 MB of memory in use. ENERGY: 2061200 658.1387 1897.7452 1967.5419 111.9622 3.0523 -1048.9699 0.0000 0.0000 2708.7926 6298.2630 299.1937 3589.4704 6333.7351 304.9795 PRESSURE: 2061400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2061400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2061400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2061400 0 0 0 0 0 0 0 0 0 TIMING: 2061400 CPU: 8277.29, 0.00394319/step Wall: 8277.29, 0.00394319/step, 0.480412 hours remaining, 114.421875 MB of memory in use. ENERGY: 2061400 664.8155 1843.5402 1961.9314 117.2531 2.4984 -1059.4945 0.0000 0.0000 2767.6527 6298.1967 305.6949 3530.5441 6334.0573 303.0572 PRESSURE: 2061600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2061600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2061600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2061600 0 0 0 0 0 0 0 0 0 TIMING: 2061600 CPU: 8278.08, 0.00393676/step Wall: 8278.08, 0.00393676/step, 0.47941 hours remaining, 114.421875 MB of memory in use. ENERGY: 2061600 662.7981 1843.6282 1940.6408 112.6928 0.4339 -1044.5117 0.0000 0.0000 2772.5335 6288.2157 306.2341 3515.6822 6320.6569 302.5758 PRESSURE: 2061800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2061800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2061800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2061800 0 0 0 0 0 0 0 0 0 TIMING: 2061800 CPU: 8278.86, 0.00394225/step Wall: 8278.86, 0.00394224/step, 0.479858 hours remaining, 114.421875 MB of memory in use. ENERGY: 2061800 703.3048 1904.6908 1962.8053 102.2981 1.3880 -1104.1106 0.0000 0.0000 2709.9997 6280.3761 299.3270 3570.3764 6310.4075 303.5551 PRESSURE: 2062000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2062000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2062000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2062000 0 0 0 0 0 0 0 0 0 TIMING: 2062000 CPU: 8279.65, 0.00394121/step Wall: 8279.65, 0.00394121/step, 0.479514 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2062000 654.6262 1872.4495 1957.1791 107.2771 2.2902 -1068.1844 0.0000 0.0000 2721.0976 6246.7354 300.5528 3525.6378 6282.5119 301.0599 PRESSURE: 2062200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2062200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2062200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2062200 0 0 0 0 0 0 0 0 0 TIMING: 2062200 CPU: 8280.44, 0.00394163/step Wall: 8280.44, 0.00394163/step, 0.479347 hours remaining, 114.421875 MB of memory in use. ENERGY: 2062200 657.6582 1849.5250 1962.1188 100.9816 0.9957 -1078.5679 0.0000 0.0000 2800.9658 6293.6771 309.3745 3492.7113 6330.0029 304.0684 PRESSURE: 2062400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2062400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2062400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2062400 0 0 0 0 0 0 0 0 0 TIMING: 2062400 CPU: 8281.23, 0.00394296/step Wall: 8281.23, 0.00394296/step, 0.479289 hours remaining, 114.421875 MB of memory in use. ENERGY: 2062400 693.9778 1824.8320 1938.7458 100.5552 1.1491 -1089.0380 0.0000 0.0000 2763.8347 6234.0567 305.2732 3470.2220 6268.5261 302.5259 PRESSURE: 2062600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2062600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2062600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2062600 0 0 0 0 0 0 0 0 0 TIMING: 2062600 CPU: 8282.02, 0.00393584/step Wall: 8282.02, 0.00393584/step, 0.478205 hours remaining, 114.421875 MB of memory in use. ENERGY: 2062600 638.5850 1871.0935 1961.4923 119.5687 2.8337 -1056.6761 0.0000 0.0000 2766.2947 6303.1918 305.5450 3536.8971 6336.6661 302.7260 PRESSURE: 2062800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2062800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2062800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2062800 0 0 0 0 0 0 0 0 0 TIMING: 2062800 CPU: 8282.81, 0.00394163/step Wall: 8282.81, 0.00394163/step, 0.47869 hours remaining, 114.421875 MB of memory in use. ENERGY: 2062800 688.4061 1838.5195 1947.6280 117.9258 2.4893 -1090.5545 0.0000 0.0000 2751.6093 6256.0234 303.9229 3504.4141 6290.5513 303.1008 PRESSURE: 2063000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2063000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2063000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2063000 0 0 0 0 0 0 0 0 0 TIMING: 2063000 CPU: 8283.59, 0.00394053/step Wall: 8283.59, 0.00394053/step, 0.478337 hours remaining, 114.421875 MB of memory in use. ENERGY: 2063000 649.1631 1855.9909 1947.2987 110.9372 2.0199 -1066.2868 0.0000 0.0000 2752.4597 6251.5826 304.0168 3499.1229 6284.8286 303.2474 PRESSURE: 2063200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2063200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2063200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2063200 0 0 0 0 0 0 0 0 0 TIMING: 2063200 CPU: 8284.38, 0.00394122/step Wall: 8284.38, 0.00394122/step, 0.478201 hours remaining, 114.421875 MB of memory in use. ENERGY: 2063200 612.9577 1898.1148 1984.8388 114.1686 1.7989 -1075.8919 0.0000 0.0000 2713.7737 6249.7606 299.7439 3535.9869 6282.9285 301.6339 PRESSURE: 2063400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2063400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2063400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2063400 0 0 0 0 0 0 0 0 0 TIMING: 2063400 CPU: 8285.17, 0.00393575/step Wall: 8285.17, 0.00393575/step, 0.477319 hours remaining, 114.421875 MB of memory in use. ENERGY: 2063400 635.9313 1863.1213 1964.9025 101.5495 0.6383 -1020.7883 0.0000 0.0000 2782.9985 6328.3531 307.3899 3545.3546 6362.8869 303.0693 PRESSURE: 2063600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2063600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2063600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2063600 0 0 0 0 0 0 0 0 0 TIMING: 2063600 CPU: 8285.96, 0.00394031/step Wall: 8285.96, 0.00394031/step, 0.477654 hours remaining, 114.421875 MB of memory in use. ENERGY: 2063600 647.1936 1855.6250 1968.8177 112.2898 1.8068 -1054.5790 0.0000 0.0000 2814.5963 6345.7502 310.8800 3531.1540 6380.8898 305.6315 PRESSURE: 2063800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2063800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2063800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2063800 0 0 0 0 0 0 0 0 0 TIMING: 2063800 CPU: 8286.75, 0.00394226/step Wall: 8286.75, 0.00394226/step, 0.477671 hours remaining, 114.421875 MB of memory in use. ENERGY: 2063800 669.6640 1912.4016 1955.5421 125.6965 1.3738 -1081.8595 0.0000 0.0000 2711.2527 6294.0711 299.4654 3582.8185 6329.2937 304.6395 PRESSURE: 2064000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2064000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2064000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2064000 0 0 0 0 0 0 0 0 0 TIMING: 2064000 CPU: 8287.53, 0.00394229/step Wall: 8287.53, 0.00394229/step, 0.477455 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2064000 670.4398 1857.9520 1950.4160 115.3377 3.0485 -1086.6526 0.0000 0.0000 2751.9090 6262.4504 303.9560 3510.5414 6296.3037 302.0168 PRESSURE: 2064200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2064200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2064200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2064200 0 0 0 0 0 0 0 0 0 TIMING: 2064200 CPU: 8288.32, 0.00394198/step Wall: 8288.32, 0.00394198/step, 0.477199 hours remaining, 114.421875 MB of memory in use. ENERGY: 2064200 643.8700 1836.5164 1971.5695 96.1873 0.8676 -1041.8001 0.0000 0.0000 2722.9348 6230.1455 300.7557 3507.2108 6262.0974 300.5289 LDB: ============= START OF LOAD BALANCING ============== 8291.28 LDB: ============== END OF LOAD BALANCING =============== 8291.28 LDB: =============== DONE WITH MIGRATION ================ 8291.28 LDB: ============= START OF LOAD BALANCING ============== 8291.67 LDB: ============== END OF LOAD BALANCING =============== 8291.67 LDB: =============== DONE WITH MIGRATION ================ 8291.67 PRESSURE: 2064400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2064400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2064400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2064400 0 0 0 0 0 0 0 0 0 TIMING: 2064400 CPU: 8289.11, 0.00394149/step Wall: 8289.11, 0.00394149/step, 0.476921 hours remaining, 114.421875 MB of memory in use. ENERGY: 2064400 607.9223 1864.3369 1966.7040 118.6703 0.8447 -1043.1408 0.0000 0.0000 2684.9327 6200.2701 296.5583 3515.3374 6235.4277 298.2221 PRESSURE: 2064600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2064600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2064600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2064600 0 0 0 0 0 0 0 0 0 TIMING: 2064600 CPU: 8289.9, 0.00394194/step Wall: 8289.9, 0.00394194/step, 0.476755 hours remaining, 114.421875 MB of memory in use. ENERGY: 2064600 643.6897 1865.4954 1974.8529 98.9394 1.4261 -1068.6712 0.0000 0.0000 2714.8512 6230.5834 299.8629 3515.7323 6264.5821 299.2740 PRESSURE: 2064800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2064800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2064800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2064800 0 0 0 0 0 0 0 0 0 TIMING: 2064800 CPU: 8290.69, 0.0039426/step Wall: 8290.69, 0.0039426/step, 0.476616 hours remaining, 114.421875 MB of memory in use. ENERGY: 2064800 670.7438 1841.9142 1954.7692 99.3278 0.8130 -1040.9907 0.0000 0.0000 2763.4323 6290.0096 305.2288 3526.5773 6322.2525 301.4535 PRESSURE: 2065000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2065000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2065000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2065000 0 0 0 0 0 0 0 0 0 TIMING: 2065000 CPU: 8291.48, 0.00394365/step Wall: 8291.48, 0.00394365/step, 0.476525 hours remaining, 114.421875 MB of memory in use. ENERGY: 2065000 683.9080 1892.4902 1949.5123 111.6722 1.5301 -1073.3255 0.0000 0.0000 2734.9963 6300.7835 302.0880 3565.7872 6330.8704 302.8354 PRESSURE: 2065200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2065200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2065200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2065200 0 0 0 0 0 0 0 0 0 TIMING: 2065200 CPU: 8292.26, 0.00394194/step Wall: 8292.26, 0.00394194/step, 0.476098 hours remaining, 114.421875 MB of memory in use. ENERGY: 2065200 666.0699 1920.8970 1969.2091 117.4602 1.3551 -1118.7224 0.0000 0.0000 2784.6507 6340.9195 307.5724 3556.2688 6375.2348 305.5430 PRESSURE: 2065400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2065400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2065400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2065400 0 0 0 0 0 0 0 0 0 TIMING: 2065400 CPU: 8293.05, 0.00393836/step Wall: 8293.05, 0.00393836/step, 0.475448 hours remaining, 114.421875 MB of memory in use. ENERGY: 2065400 661.1176 1858.5487 1936.0645 111.9313 0.6019 -1069.5149 0.0000 0.0000 2804.7579 6303.5071 309.7933 3498.7491 6340.2801 305.8220 PRESSURE: 2065600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2065600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2065600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2065600 0 0 0 0 0 0 0 0 0 TIMING: 2065600 CPU: 8293.84, 0.00394458/step Wall: 8293.84, 0.00394458/step, 0.475979 hours remaining, 114.421875 MB of memory in use. ENERGY: 2065600 658.5553 1887.7754 1975.6602 101.7438 1.6284 -1098.2001 0.0000 0.0000 2767.6588 6294.8219 305.6956 3527.1631 6330.8270 306.2696 PRESSURE: 2065800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2065800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2065800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2065800 0 0 0 0 0 0 0 0 0 TIMING: 2065800 CPU: 8294.63, 0.0039438/step Wall: 8294.63, 0.0039438/step, 0.475666 hours remaining, 114.421875 MB of memory in use. ENERGY: 2065800 678.9521 1850.0148 1949.2947 102.2010 1.3255 -1072.7930 0.0000 0.0000 2763.0321 6272.0271 305.1846 3508.9950 6306.9043 303.4457 PRESSURE: 2066000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2066000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2066000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2066000 0 0 0 0 0 0 0 0 0 TIMING: 2066000 CPU: 8295.42, 0.00394493/step Wall: 8295.42, 0.00394493/step, 0.475583 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2066000 647.2822 1898.9004 1951.7410 112.6674 0.5310 -1064.0362 0.0000 0.0000 2750.5397 6297.6255 303.8048 3547.0858 6332.4870 303.1738 PRESSURE: 2066200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2066200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2066200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2066200 0 0 0 0 0 0 0 0 0 TIMING: 2066200 CPU: 8296.21, 0.00393909/step Wall: 8296.21, 0.00393909/step, 0.47466 hours remaining, 114.421875 MB of memory in use. ENERGY: 2066200 666.9085 1855.7729 1967.3374 122.6126 1.4662 -1075.3522 0.0000 0.0000 2724.7607 6263.5061 300.9574 3538.7454 6297.5369 302.8999 PRESSURE: 2066400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2066400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2066400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2066400 0 0 0 0 0 0 0 0 0 TIMING: 2066400 CPU: 8297, 0.00394377/step Wall: 8297, 0.00394377/step, 0.475005 hours remaining, 114.421875 MB of memory in use. ENERGY: 2066400 665.9853 1885.7298 1967.4657 101.7815 0.3501 -1075.8291 0.0000 0.0000 2740.9103 6286.3937 302.7412 3545.4834 6319.3493 302.8952 PRESSURE: 2066600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2066600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2066600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2066600 0 0 0 0 0 0 0 0 0 TIMING: 2066600 CPU: 8297.78, 0.00394627/step Wall: 8297.78, 0.00394627/step, 0.475088 hours remaining, 114.421875 MB of memory in use. ENERGY: 2066600 653.4345 1832.5504 1989.1742 109.9211 1.5523 -1107.9090 0.0000 0.0000 2732.9109 6211.6344 301.8576 3478.7235 6248.9058 303.6682 PRESSURE: 2066800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2066800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2066800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2066800 0 0 0 0 0 0 0 0 0 TIMING: 2066800 CPU: 8298.58, 0.00395504/step Wall: 8298.58, 0.00395504/step, 0.475923 hours remaining, 114.421875 MB of memory in use. ENERGY: 2066800 693.3019 1846.5587 1960.5459 113.7993 1.1573 -1124.2916 0.0000 0.0000 2726.9044 6217.9759 301.1942 3491.0716 6249.6834 301.2061 PRESSURE: 2067000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2067000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2067000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2067000 0 0 0 0 0 0 0 0 0 TIMING: 2067000 CPU: 8299.37, 0.00394791/step Wall: 8299.37, 0.00394791/step, 0.474845 hours remaining, 114.421875 MB of memory in use. ENERGY: 2067000 650.7739 1862.4742 1950.4581 109.4665 0.8253 -1093.9781 0.0000 0.0000 2741.3531 6221.3730 302.7901 3480.0199 6255.1939 300.9091 PRESSURE: 2067200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2067200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2067200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2067200 0 0 0 0 0 0 0 0 0 TIMING: 2067200 CPU: 8300.15, 0.00394024/step Wall: 8300.15, 0.00394024/step, 0.473704 hours remaining, 114.421875 MB of memory in use. ENERGY: 2067200 655.1221 1901.4829 1958.2924 101.1343 0.8694 -1076.7774 0.0000 0.0000 2710.1624 6250.2861 299.3450 3540.1237 6280.7559 300.8367 PRESSURE: 2067400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2067400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2067400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2067400 0 0 0 0 0 0 0 0 0 TIMING: 2067400 CPU: 8300.94, 0.0039446/step Wall: 8300.94, 0.0039446/step, 0.474009 hours remaining, 114.421875 MB of memory in use. ENERGY: 2067400 672.3692 1848.0612 1953.6422 97.9510 0.7769 -1097.8254 0.0000 0.0000 2803.5189 6278.4939 309.6565 3474.9750 6316.7028 302.4537 PRESSURE: 2067600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2067600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2067600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2067600 0 0 0 0 0 0 0 0 0 TIMING: 2067600 CPU: 8301.73, 0.00394524/step Wall: 8301.73, 0.00394524/step, 0.473867 hours remaining, 114.421875 MB of memory in use. ENERGY: 2067600 674.7176 1904.2281 1948.0117 110.7140 0.9651 -1075.4308 0.0000 0.0000 2722.2279 6285.4337 300.6777 3563.2058 6320.1445 303.9740 PRESSURE: 2067800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2067800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2067800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2067800 0 0 0 0 0 0 0 0 0 TIMING: 2067800 CPU: 8302.52, 0.00394289/step Wall: 8302.52, 0.00394289/step, 0.473366 hours remaining, 114.421875 MB of memory in use. ENERGY: 2067800 676.3492 1888.8143 1974.1505 108.9388 1.0769 -1078.8493 0.0000 0.0000 2699.2411 6269.7215 298.1387 3570.4804 6302.6526 302.9921 PRESSURE: 2068000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2068000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2068000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2068000 0 0 0 0 0 0 0 0 0 TIMING: 2068000 CPU: 8303.31, 0.00394435/step Wall: 8303.31, 0.00394435/step, 0.473322 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2068000 661.7661 1884.6976 1960.8507 110.1224 1.8984 -1068.2801 0.0000 0.0000 2638.4651 6189.5202 291.4258 3551.0551 6221.5294 300.7761 PRESSURE: 2068200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2068200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2068200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2068200 0 0 0 0 0 0 0 0 0 TIMING: 2068200 CPU: 8304.1, 0.00393982/step Wall: 8304.1, 0.00393982/step, 0.47256 hours remaining, 114.421875 MB of memory in use. ENERGY: 2068200 656.6855 1801.0246 1944.2052 108.8508 1.1447 -1070.7156 0.0000 0.0000 2754.5837 6195.7788 304.2514 3441.1951 6231.7238 297.5701 LDB: ============= START OF LOAD BALANCING ============== 8307.06 LDB: ============== END OF LOAD BALANCING =============== 8307.06 LDB: =============== DONE WITH MIGRATION ================ 8307.06 LDB: ============= START OF LOAD BALANCING ============== 8307.45 LDB: ============== END OF LOAD BALANCING =============== 8307.45 LDB: =============== DONE WITH MIGRATION ================ 8307.45 PRESSURE: 2068400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2068400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2068400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2068400 0 0 0 0 0 0 0 0 0 TIMING: 2068400 CPU: 8304.89, 0.00394806/step Wall: 8304.89, 0.00394806/step, 0.473328 hours remaining, 114.421875 MB of memory in use. ENERGY: 2068400 616.3309 1888.9050 1947.1204 101.8436 0.5285 -1067.3791 0.0000 0.0000 2749.4898 6236.8392 303.6888 3487.3494 6270.4695 300.5784 PRESSURE: 2068600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2068600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2068600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2068600 0 0 0 0 0 0 0 0 0 TIMING: 2068600 CPU: 8305.68, 0.00394515/step Wall: 8305.68, 0.00394515/step, 0.472761 hours remaining, 114.421875 MB of memory in use. ENERGY: 2068600 677.6422 1827.5235 1949.8945 98.5886 0.9757 -1104.6524 0.0000 0.0000 2759.3146 6209.2866 304.7740 3449.9720 6240.6394 300.6269 PRESSURE: 2068800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2068800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2068800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2068800 0 0 0 0 0 0 0 0 0 TIMING: 2068800 CPU: 8306.46, 0.0039461/step Wall: 8306.46, 0.0039461/step, 0.472655 hours remaining, 114.421875 MB of memory in use. ENERGY: 2068800 649.9494 1879.8678 1949.3581 104.4685 0.4485 -1089.1399 0.0000 0.0000 2708.7168 6203.6691 299.1853 3494.9523 6235.5891 299.3470 PRESSURE: 2069000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2069000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2069000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2069000 0 0 0 0 0 0 0 0 0 TIMING: 2069000 CPU: 8307.25, 0.00394087/step Wall: 8307.25, 0.00394087/step, 0.47181 hours remaining, 114.421875 MB of memory in use. ENERGY: 2069000 655.8964 1892.8386 1927.8750 104.5635 2.3663 -1074.9843 0.0000 0.0000 2692.4066 6200.9621 297.3838 3508.5555 6233.5731 299.9338 PRESSURE: 2069200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2069200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2069200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2069200 0 0 0 0 0 0 0 0 0 TIMING: 2069200 CPU: 8308.04, 0.00394126/step Wall: 8308.04, 0.00394126/step, 0.471638 hours remaining, 114.421875 MB of memory in use. ENERGY: 2069200 661.5189 1798.8389 1981.7496 107.8872 1.8121 -1056.4962 0.0000 0.0000 2760.1289 6255.4393 304.8639 3495.3104 6289.7917 301.3039 PRESSURE: 2069400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2069400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2069400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2069400 0 0 0 0 0 0 0 0 0 TIMING: 2069400 CPU: 8308.83, 0.00394473/step Wall: 8308.83, 0.00394473/step, 0.471833 hours remaining, 114.421875 MB of memory in use. ENERGY: 2069400 658.8213 1902.0669 1955.1899 111.9843 1.3668 -1079.3841 0.0000 0.0000 2735.5056 6285.5507 302.1442 3550.0451 6316.4380 302.8741 PRESSURE: 2069600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2069600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2069600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2069600 0 0 0 0 0 0 0 0 0 TIMING: 2069600 CPU: 8309.62, 0.00394477/step Wall: 8309.62, 0.00394477/step, 0.471619 hours remaining, 114.421875 MB of memory in use. ENERGY: 2069600 653.4992 1914.3555 1956.5194 105.5502 1.5394 -1060.0691 0.0000 0.0000 2724.3649 6295.7594 300.9137 3571.3945 6329.1877 304.3883 PRESSURE: 2069800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2069800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2069800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2069800 0 0 0 0 0 0 0 0 0 TIMING: 2069800 CPU: 8310.41, 0.00394415/step Wall: 8310.41, 0.00394415/step, 0.471325 hours remaining, 114.421875 MB of memory in use. ENERGY: 2069800 648.3415 1879.5600 1927.2384 99.9339 0.2686 -1063.7355 0.0000 0.0000 2781.4509 6273.0578 307.2190 3491.6069 6306.4737 302.9615 PRESSURE: 2070000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2070000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2070000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2070000 0 0 0 0 0 0 0 0 0 TIMING: 2070000 CPU: 8311.2, 0.00393887/step Wall: 8311.2, 0.00393887/step, 0.470477 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2070000 683.3215 1840.1929 1938.9000 110.1396 0.6962 -1053.1970 0.0000 0.0000 2792.9584 6313.0116 308.4900 3520.0532 6346.5304 304.5618 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2070000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2070000 WRITING COORDINATES TO RESTART FILE AT STEP 2070000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2070000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2070200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2070200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2070200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2070200 0 0 0 0 0 0 0 0 0 TIMING: 2070200 CPU: 8312.08, 0.00441483/step Wall: 8312.08, 0.00441483/step, 0.527081 hours remaining, 114.421875 MB of memory in use. ENERGY: 2070200 621.2787 1851.9704 1964.7049 106.8859 -0.2708 -1051.0403 0.0000 0.0000 2783.7123 6277.2411 307.4688 3493.5288 6313.1186 303.4296 PRESSURE: 2070400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2070400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2070400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2070400 0 0 0 0 0 0 0 0 0 TIMING: 2070400 CPU: 8312.87, 0.00394299/step Wall: 8312.87, 0.00394299/step, 0.47053 hours remaining, 114.421875 MB of memory in use. ENERGY: 2070400 616.2960 1900.0560 1959.1370 97.2152 0.2123 -1049.8373 0.0000 0.0000 2751.2251 6274.3044 303.8805 3523.0793 6307.1115 301.0995 PRESSURE: 2070600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2070600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2070600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2070600 0 0 0 0 0 0 0 0 0 TIMING: 2070600 CPU: 8313.66, 0.00394359/step Wall: 8313.66, 0.00394359/step, 0.470383 hours remaining, 114.421875 MB of memory in use. ENERGY: 2070600 628.0885 1864.8473 1958.5203 108.4708 0.9663 -1054.2206 0.0000 0.0000 2736.7174 6243.3900 302.2781 3506.6726 6278.8382 301.1659 PRESSURE: 2070800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2070800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2070800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2070800 0 0 0 0 0 0 0 0 0 TIMING: 2070800 CPU: 8314.44, 0.00394315/step Wall: 8314.44, 0.00394315/step, 0.470111 hours remaining, 114.421875 MB of memory in use. ENERGY: 2070800 671.8845 1864.0766 1958.0191 100.7199 -0.7588 -1052.5648 0.0000 0.0000 2703.6159 6244.9925 298.6219 3541.3766 6275.9595 302.5713 PRESSURE: 2071000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2071000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2071000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2071000 0 0 0 0 0 0 0 0 0 TIMING: 2071000 CPU: 8315.23, 0.00393836/step Wall: 8315.23, 0.00393836/step, 0.469322 hours remaining, 114.421875 MB of memory in use. ENERGY: 2071000 658.8008 1850.4243 1948.0924 107.1391 1.1660 -1079.0273 0.0000 0.0000 2693.0214 6179.6167 297.4517 3486.5953 6216.5168 301.0964 PRESSURE: 2071200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2071200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2071200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2071200 0 0 0 0 0 0 0 0 0 TIMING: 2071200 CPU: 8316.02, 0.00394347/step Wall: 8316.02, 0.00394347/step, 0.469711 hours remaining, 114.421875 MB of memory in use. ENERGY: 2071200 638.4172 1836.1070 1960.7883 115.4452 0.2275 -1073.8326 0.0000 0.0000 2706.3925 6183.5451 298.9286 3477.1526 6220.0123 298.1151 PRESSURE: 2071400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2071400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2071400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2071400 0 0 0 0 0 0 0 0 0 TIMING: 2071400 CPU: 8316.81, 0.00394188/step Wall: 8316.81, 0.00394188/step, 0.469303 hours remaining, 114.421875 MB of memory in use. ENERGY: 2071400 626.1925 1845.9455 1984.1347 96.4992 0.7533 -1084.5996 0.0000 0.0000 2686.8819 6155.8075 296.7736 3468.9257 6188.8537 298.7648 PRESSURE: 2071600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2071600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2071600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2071600 0 0 0 0 0 0 0 0 0 TIMING: 2071600 CPU: 8317.6, 0.00394426/step Wall: 8317.6, 0.00394426/step, 0.469366 hours remaining, 114.421875 MB of memory in use. ENERGY: 2071600 640.3265 1833.5342 1944.3362 109.7821 0.3367 -1103.1325 0.0000 0.0000 2753.6515 6178.8347 304.1485 3425.1831 6212.6291 297.6749 PRESSURE: 2071800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2071800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2071800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2071800 0 0 0 0 0 0 0 0 0 TIMING: 2071800 CPU: 8318.39, 0.00394459/step Wall: 8318.39, 0.00394459/step, 0.469187 hours remaining, 114.421875 MB of memory in use. ENERGY: 2071800 664.0719 1900.5606 1932.5738 105.4995 0.5575 -1098.0560 0.0000 0.0000 2709.6644 6214.8717 299.2900 3505.2073 6248.5746 298.8417 PRESSURE: 2072000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2072000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2072000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2072000 0 0 0 0 0 0 0 0 0 TIMING: 2072000 CPU: 8319.17, 0.00393982/step Wall: 8319.17, 0.00393982/step, 0.468401 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2072000 668.2069 1861.6244 1947.6691 108.6069 2.5976 -1093.9246 0.0000 0.0000 2675.3349 6170.1151 295.4982 3494.7803 6204.9391 298.4215 PRESSURE: 2072200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2072200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2072200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2072200 0 0 0 0 0 0 0 0 0 TIMING: 2072200 CPU: 8319.96, 0.00394258/step Wall: 8319.96, 0.00394258/step, 0.468509 hours remaining, 114.421875 MB of memory in use. ENERGY: 2072200 675.9392 1827.3406 1982.0934 105.2503 0.7863 -1095.8352 0.0000 0.0000 2743.6700 6239.2444 303.0460 3495.5745 6273.4259 299.4932 LDB: ============= START OF LOAD BALANCING ============== 8322.92 LDB: ============== END OF LOAD BALANCING =============== 8322.92 LDB: =============== DONE WITH MIGRATION ================ 8322.92 LDB: ============= START OF LOAD BALANCING ============== 8323.32 LDB: ============== END OF LOAD BALANCING =============== 8323.32 LDB: =============== DONE WITH MIGRATION ================ 8323.32 PRESSURE: 2072400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2072400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2072400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2072400 0 0 0 0 0 0 0 0 0 TIMING: 2072400 CPU: 8320.75, 0.00394829/step Wall: 8320.75, 0.00394829/step, 0.468969 hours remaining, 114.421875 MB of memory in use. ENERGY: 2072400 653.0728 1870.8603 1983.0415 115.3436 2.4203 -1076.9804 0.0000 0.0000 2716.6376 6264.3956 300.0602 3547.7580 6296.2392 302.3292 PRESSURE: 2072600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2072600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2072600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2072600 0 0 0 0 0 0 0 0 0 TIMING: 2072600 CPU: 8321.54, 0.00394553/step Wall: 8321.54, 0.00394553/step, 0.468422 hours remaining, 114.421875 MB of memory in use. ENERGY: 2072600 677.0383 1919.1092 1950.7046 111.2856 0.9448 -1117.5600 0.0000 0.0000 2693.8995 6235.4220 297.5487 3541.5226 6268.8580 301.4635 PRESSURE: 2072800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2072800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2072800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2072800 0 0 0 0 0 0 0 0 0 TIMING: 2072800 CPU: 8322.33, 0.00394418/step Wall: 8322.33, 0.00394418/step, 0.468043 hours remaining, 114.421875 MB of memory in use. ENERGY: 2072800 664.8957 1930.5200 1958.5240 114.1270 1.2526 -1133.0877 0.0000 0.0000 2709.2332 6245.4648 299.2423 3536.2316 6275.6721 300.9948 PRESSURE: 2073000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2073000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2073000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2073000 0 0 0 0 0 0 0 0 0 TIMING: 2073000 CPU: 8323.12, 0.00393983/step Wall: 8323.12, 0.00393983/step, 0.467307 hours remaining, 114.421875 MB of memory in use. ENERGY: 2073000 659.9807 1869.7225 1937.9986 118.4137 0.5217 -1073.0213 0.0000 0.0000 2723.0079 6236.6238 300.7638 3513.6160 6267.0770 302.5422 PRESSURE: 2073200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2073200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2073200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2073200 0 0 0 0 0 0 0 0 0 TIMING: 2073200 CPU: 8323.91, 0.00394436/step Wall: 8323.91, 0.00394436/step, 0.467626 hours remaining, 114.421875 MB of memory in use. ENERGY: 2073200 706.8752 1881.7868 1952.6087 115.0251 1.2667 -1089.9420 0.0000 0.0000 2708.6817 6276.3022 299.1814 3567.6205 6309.0081 301.5341 PRESSURE: 2073400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2073400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2073400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2073400 0 0 0 0 0 0 0 0 0 TIMING: 2073400 CPU: 8324.7, 0.00394511/step Wall: 8324.7, 0.00394511/step, 0.467495 hours remaining, 114.421875 MB of memory in use. ENERGY: 2073400 676.3677 1889.0635 1963.1038 115.6938 0.7173 -1063.1920 0.0000 0.0000 2704.9063 6286.6604 298.7644 3581.7541 6318.1939 303.9982 PRESSURE: 2073600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2073600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2073600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2073600 0 0 0 0 0 0 0 0 0 TIMING: 2073600 CPU: 8325.49, 0.00396405/step Wall: 8325.49, 0.00396406/step, 0.469521 hours remaining, 114.421875 MB of memory in use. ENERGY: 2073600 653.0357 1827.4017 1942.3807 110.3357 2.2944 -1044.9208 0.0000 0.0000 2752.7054 6243.2328 304.0440 3490.5274 6277.9421 302.1681 PRESSURE: 2073800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2073800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2073800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2073800 0 0 0 0 0 0 0 0 0 TIMING: 2073800 CPU: 8326.28, 0.00394369/step Wall: 8326.28, 0.00394369/step, 0.466889 hours remaining, 114.421875 MB of memory in use. ENERGY: 2073800 651.8897 1815.1019 1962.7119 110.3979 0.9878 -1044.0414 0.0000 0.0000 2752.2780 6249.3257 303.9968 3497.0477 6283.0949 301.6943 PRESSURE: 2074000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2074000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2074000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2074000 0 0 0 0 0 0 0 0 0 TIMING: 2074000 CPU: 8327.07, 0.00394644/step Wall: 8327.07, 0.00394644/step, 0.466995 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2074000 648.7533 1858.9709 1989.4061 110.0045 0.0211 -1090.1886 0.0000 0.0000 2739.2018 6256.1691 302.5525 3516.9672 6289.1878 303.6196 PRESSURE: 2074200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2074200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2074200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2074200 0 0 0 0 0 0 0 0 0 TIMING: 2074200 CPU: 8327.86, 0.00394286/step Wall: 8327.86, 0.00394286/step, 0.466352 hours remaining, 114.421875 MB of memory in use. ENERGY: 2074200 666.0317 1807.6726 1953.2544 112.8466 0.6568 -1075.9666 0.0000 0.0000 2769.7850 6234.2805 305.9305 3464.4955 6269.4003 301.4166 PRESSURE: 2074400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2074400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2074400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2074400 0 0 0 0 0 0 0 0 0 TIMING: 2074400 CPU: 8328.64, 0.00394269/step Wall: 8328.64, 0.00394269/step, 0.466114 hours remaining, 114.421875 MB of memory in use. ENERGY: 2074400 659.0994 1825.2695 1968.3669 106.6831 0.5824 -1098.0314 0.0000 0.0000 2750.0107 6211.9806 303.7463 3461.9699 6247.3152 300.2985 PRESSURE: 2074600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2074600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2074600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2074600 0 0 0 0 0 0 0 0 0 TIMING: 2074600 CPU: 8329.43, 0.0039428/step Wall: 8329.43, 0.0039428/step, 0.465908 hours remaining, 114.421875 MB of memory in use. ENERGY: 2074600 661.6487 1803.0696 1998.0618 109.7334 1.0811 -1101.2453 0.0000 0.0000 2761.1634 6233.5127 304.9782 3472.3493 6268.3958 300.2210 PRESSURE: 2074800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2074800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2074800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2074800 0 0 0 0 0 0 0 0 0 TIMING: 2074800 CPU: 8330.22, 0.00394024/step Wall: 8330.22, 0.00394024/step, 0.465386 hours remaining, 114.421875 MB of memory in use. ENERGY: 2074800 685.0670 1857.4248 1958.8179 115.5857 0.8089 -1098.1312 0.0000 0.0000 2700.9748 6220.5479 298.3302 3519.5731 6251.6395 300.9000 PRESSURE: 2075000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2075000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2075000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2075000 0 0 0 0 0 0 0 0 0 TIMING: 2075000 CPU: 8331.01, 0.00394315/step Wall: 8331.01, 0.00394315/step, 0.46551 hours remaining, 114.421875 MB of memory in use. ENERGY: 2075000 628.7723 1914.6901 1960.0700 106.2340 0.8981 -1092.0290 0.0000 0.0000 2747.5574 6266.1928 303.4754 3518.6355 6296.9576 302.3513 PRESSURE: 2075200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2075200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2075200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2075200 0 0 0 0 0 0 0 0 0 TIMING: 2075200 CPU: 8331.8, 0.00394356/step Wall: 8331.8, 0.00394356/step, 0.465341 hours remaining, 114.421875 MB of memory in use. ENERGY: 2075200 653.7492 1865.9038 1977.8189 111.1140 0.5522 -1070.3313 0.0000 0.0000 2700.8838 6239.6907 298.3201 3538.8069 6271.2387 302.3740 PRESSURE: 2075400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2075400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2075400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2075400 0 0 0 0 0 0 0 0 0 TIMING: 2075400 CPU: 8332.59, 0.00394349/step Wall: 8332.59, 0.00394349/step, 0.465113 hours remaining, 114.421875 MB of memory in use. ENERGY: 2075400 641.7149 1844.0153 1947.4127 119.4892 2.1211 -1092.3985 0.0000 0.0000 2718.9638 6181.3185 300.3171 3462.3547 6216.5001 298.4688 PRESSURE: 2075600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2075600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2075600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2075600 0 0 0 0 0 0 0 0 0 TIMING: 2075600 CPU: 8333.38, 0.00394369/step Wall: 8333.38, 0.00394369/step, 0.464917 hours remaining, 114.421875 MB of memory in use. ENERGY: 2075600 694.9182 1845.2008 1942.8456 98.3856 1.7990 -1115.3097 0.0000 0.0000 2710.2825 6178.1220 299.3583 3467.8395 6206.3346 298.5465 PRESSURE: 2075800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2075800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2075800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2075800 0 0 0 0 0 0 0 0 0 TIMING: 2075800 CPU: 8334.16, 0.00394003/step Wall: 8334.16, 0.00394003/step, 0.464267 hours remaining, 114.421875 MB of memory in use. ENERGY: 2075800 643.0568 1864.1145 1927.4248 119.5860 2.5673 -1060.6200 0.0000 0.0000 2735.1784 6231.3078 302.1081 3496.1294 6262.3428 300.8130 PRESSURE: 2076000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2076000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2076000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2076000 0 0 0 0 0 0 0 0 0 TIMING: 2076000 CPU: 8334.95, 0.00394445/step Wall: 8334.95, 0.00394445/step, 0.464568 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2076000 650.2892 1907.4959 1925.9033 110.5771 2.6436 -1077.1021 0.0000 0.0000 2754.4448 6274.2517 304.2361 3519.8069 6307.2554 302.2949 PRESSURE: 2076200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2076200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2076200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2076200 0 0 0 0 0 0 0 0 0 TIMING: 2076200 CPU: 8335.74, 0.00394516/step Wall: 8335.74, 0.00394516/step, 0.464432 hours remaining, 114.421875 MB of memory in use. ENERGY: 2076200 634.3602 1836.7504 1972.1696 112.2606 1.4255 -1087.8075 0.0000 0.0000 2736.6534 6205.8122 302.2710 3469.1588 6240.0571 303.6218 LDB: ============= START OF LOAD BALANCING ============== 8338.7 LDB: ============== END OF LOAD BALANCING =============== 8338.7 LDB: =============== DONE WITH MIGRATION ================ 8338.7 LDB: ============= START OF LOAD BALANCING ============== 8339.1 LDB: ============== END OF LOAD BALANCING =============== 8339.1 LDB: =============== DONE WITH MIGRATION ================ 8339.1 PRESSURE: 2076400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2076400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2076400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2076400 0 0 0 0 0 0 0 0 0 TIMING: 2076400 CPU: 8336.53, 0.00395043/step Wall: 8336.53, 0.00395043/step, 0.464833 hours remaining, 114.421875 MB of memory in use. ENERGY: 2076400 633.5014 1833.3167 1959.6157 104.0133 0.7223 -1077.4851 0.0000 0.0000 2766.6075 6220.2918 305.5795 3453.6843 6257.2064 301.0345 PRESSURE: 2076600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2076600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2076600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2076600 0 0 0 0 0 0 0 0 0 TIMING: 2076600 CPU: 8337.32, 0.00394513/step Wall: 8337.32, 0.00394512/step, 0.46399 hours remaining, 114.421875 MB of memory in use. ENERGY: 2076600 660.4906 1880.0265 1944.0684 108.4695 2.3540 -1079.4632 0.0000 0.0000 2715.2007 6231.1465 299.9015 3515.9458 6264.8284 300.5196 PRESSURE: 2076800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2076800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2076800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2076800 0 0 0 0 0 0 0 0 0 TIMING: 2076800 CPU: 8338.11, 0.00394155/step Wall: 8338.11, 0.00394156/step, 0.463352 hours remaining, 114.421875 MB of memory in use. ENERGY: 2076800 645.8417 1872.4589 1944.5971 111.9375 1.8155 -1075.1011 0.0000 0.0000 2752.6725 6254.2219 304.0403 3501.5494 6290.4497 302.6191 PRESSURE: 2077000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2077000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2077000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2077000 0 0 0 0 0 0 0 0 0 TIMING: 2077000 CPU: 8338.9, 0.00395142/step Wall: 8338.9, 0.00395142/step, 0.464292 hours remaining, 114.421875 MB of memory in use. ENERGY: 2077000 699.9075 1880.7491 1965.7427 96.1888 0.4950 -1086.0529 0.0000 0.0000 2686.5453 6243.5754 296.7364 3557.0301 6275.0419 300.7696 PRESSURE: 2077200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2077200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2077200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2077200 0 0 0 0 0 0 0 0 0 TIMING: 2077200 CPU: 8339.69, 0.00394407/step Wall: 8339.69, 0.00394407/step, 0.463209 hours remaining, 114.421875 MB of memory in use. ENERGY: 2077200 663.9614 1870.1454 1981.0626 112.8566 2.1099 -1075.5690 0.0000 0.0000 2671.6401 6226.2071 295.0901 3554.5670 6258.5279 301.4240 PRESSURE: 2077400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2077400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2077400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2077400 0 0 0 0 0 0 0 0 0 TIMING: 2077400 CPU: 8340.48, 0.0039433/step Wall: 8340.48, 0.0039433/step, 0.4629 hours remaining, 114.421875 MB of memory in use. ENERGY: 2077400 629.7219 1867.8834 1988.8056 110.6084 0.9596 -1086.8335 0.0000 0.0000 2710.1988 6221.3441 299.3490 3511.1453 6253.0885 299.6069 PRESSURE: 2077600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2077600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2077600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2077600 0 0 0 0 0 0 0 0 0 TIMING: 2077600 CPU: 8341.27, 0.00394256/step Wall: 8341.27, 0.00394256/step, 0.462594 hours remaining, 114.421875 MB of memory in use. ENERGY: 2077600 660.8952 1853.1192 1967.4498 114.7084 2.0659 -1101.3196 0.0000 0.0000 2690.7007 6187.6196 297.1954 3496.9188 6220.4992 301.8930 PRESSURE: 2077800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2077800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2077800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2077800 0 0 0 0 0 0 0 0 0 TIMING: 2077800 CPU: 8342.05, 0.00394377/step Wall: 8342.05, 0.00394377/step, 0.462517 hours remaining, 114.421875 MB of memory in use. ENERGY: 2077800 599.0687 1841.3610 1956.1191 116.5725 1.9093 -1058.8556 0.0000 0.0000 2716.9804 6173.1554 300.0981 3456.1750 6205.4745 299.8525 PRESSURE: 2078000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2078000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2078000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2078000 0 0 0 0 0 0 0 0 0 TIMING: 2078000 CPU: 8342.84, 0.00394349/step Wall: 8342.84, 0.00394349/step, 0.462264 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2078000 653.9728 1834.5074 1965.7070 103.0206 0.1758 -1075.6560 0.0000 0.0000 2717.5472 6199.2747 300.1607 3481.7275 6233.8644 298.0207 PRESSURE: 2078200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2078200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2078200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2078200 0 0 0 0 0 0 0 0 0 TIMING: 2078200 CPU: 8343.63, 0.00394507/step Wall: 8343.63, 0.00394507/step, 0.462231 hours remaining, 114.421875 MB of memory in use. ENERGY: 2078200 656.8478 1797.4386 1944.5861 110.0443 0.6547 -1085.2694 0.0000 0.0000 2735.1324 6159.4346 302.1030 3424.3021 6191.2388 298.2338 PRESSURE: 2078400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2078400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2078400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2078400 0 0 0 0 0 0 0 0 0 TIMING: 2078400 CPU: 8344.42, 0.00394316/step Wall: 8344.42, 0.00394316/step, 0.461788 hours remaining, 114.421875 MB of memory in use. ENERGY: 2078400 670.8823 1777.2858 1954.1773 115.7074 0.6010 -1103.6459 0.0000 0.0000 2698.2482 6113.2561 298.0290 3415.0078 6146.2311 297.6683 PRESSURE: 2078600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2078600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2078600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2078600 0 0 0 0 0 0 0 0 0 TIMING: 2078600 CPU: 8345.21, 0.00394157/step Wall: 8345.21, 0.00394157/step, 0.461382 hours remaining, 114.421875 MB of memory in use. ENERGY: 2078600 638.4875 1826.1444 1960.6851 111.7146 1.7543 -1094.7668 0.0000 0.0000 2666.1977 6110.2169 294.4890 3444.0191 6145.5166 294.3404 PRESSURE: 2078800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2078800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2078800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2078800 0 0 0 0 0 0 0 0 0 TIMING: 2078800 CPU: 8346, 0.00394355/step Wall: 8346, 0.00394355/step, 0.461395 hours remaining, 114.421875 MB of memory in use. ENERGY: 2078800 688.3650 1837.1227 1945.5074 110.0696 0.5474 -1104.7590 0.0000 0.0000 2668.1888 6145.0419 294.7089 3476.8531 6177.6811 296.0091 PRESSURE: 2079000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2079000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2079000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2079000 0 0 0 0 0 0 0 0 0 TIMING: 2079000 CPU: 8346.79, 0.00394259/step Wall: 8346.79, 0.00394259/step, 0.461064 hours remaining, 114.421875 MB of memory in use. ENERGY: 2079000 673.5531 1853.5026 1937.7426 106.1185 1.6375 -1141.9794 0.0000 0.0000 2691.2857 6121.8606 297.2600 3430.5749 6154.8009 296.3633 PRESSURE: 2079200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2079200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2079200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2079200 0 0 0 0 0 0 0 0 0 TIMING: 2079200 CPU: 8347.58, 0.00394263/step Wall: 8347.58, 0.00394263/step, 0.46085 hours remaining, 114.421875 MB of memory in use. ENERGY: 2079200 636.8797 1853.6392 1936.6647 111.4474 1.1341 -1098.0404 0.0000 0.0000 2644.1200 6085.8447 292.0504 3441.7247 6119.4478 294.5934 PRESSURE: 2079400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2079400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2079400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2079400 0 0 0 0 0 0 0 0 0 TIMING: 2079400 CPU: 8348.36, 0.00394303/step Wall: 8348.36, 0.00394303/step, 0.460678 hours remaining, 114.421875 MB of memory in use. ENERGY: 2079400 661.5085 1805.3804 1984.8711 109.9912 1.5479 -1143.7646 0.0000 0.0000 2705.8504 6125.3849 298.8687 3419.5345 6160.5096 294.7720 PRESSURE: 2079600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2079600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2079600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2079600 0 0 0 0 0 0 0 0 0 TIMING: 2079600 CPU: 8349.15, 0.00394063/step Wall: 8349.15, 0.00394063/step, 0.460177 hours remaining, 114.421875 MB of memory in use. ENERGY: 2079600 635.4185 1812.0471 1964.3302 115.2908 1.7578 -1102.8960 0.0000 0.0000 2655.1998 6081.1483 293.2742 3425.9484 6114.8872 294.8507 PRESSURE: 2079800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2079800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2079800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2079800 0 0 0 0 0 0 0 0 0 TIMING: 2079800 CPU: 8349.94, 0.0039443/step Wall: 8349.94, 0.0039443/step, 0.460387 hours remaining, 114.421875 MB of memory in use. ENERGY: 2079800 648.0230 1793.3923 1967.7716 107.9747 1.9330 -1041.7246 0.0000 0.0000 2664.9015 6142.2716 294.3458 3477.3701 6173.2203 295.2536 PRESSURE: 2080000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2080000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2080000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2080000 0 0 0 0 0 0 0 0 0 TIMING: 2080000 CPU: 8350.73, 0.00394746/step Wall: 8350.73, 0.00394746/step, 0.460537 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2080000 668.9976 1827.2406 1926.8347 118.4309 1.8068 -1083.2268 0.0000 0.0000 2688.2757 6148.3596 296.9275 3460.0839 6180.7453 297.4263 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2080000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2080000 WRITING COORDINATES TO RESTART FILE AT STEP 2080000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2080000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2080200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2080200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2080200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2080200 0 0 0 0 0 0 0 0 0 TIMING: 2080200 CPU: 8351.6, 0.00435398/step Wall: 8351.6, 0.00435398/step, 0.507723 hours remaining, 114.421875 MB of memory in use. ENERGY: 2080200 640.4245 1885.8536 1922.6643 103.6980 1.9729 -1089.7926 0.0000 0.0000 2697.5877 6162.4083 297.9561 3464.8207 6196.3380 297.2398 LDB: ============= START OF LOAD BALANCING ============== 8354.56 LDB: ============== END OF LOAD BALANCING =============== 8354.56 LDB: =============== DONE WITH MIGRATION ================ 8354.56 LDB: ============= START OF LOAD BALANCING ============== 8354.96 LDB: ============== END OF LOAD BALANCING =============== 8354.96 LDB: =============== DONE WITH MIGRATION ================ 8354.96 PRESSURE: 2080400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2080400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2080400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2080400 0 0 0 0 0 0 0 0 0 TIMING: 2080400 CPU: 8352.39, 0.00395124/step Wall: 8352.39, 0.00395124/step, 0.460539 hours remaining, 114.421875 MB of memory in use. ENERGY: 2080400 644.9571 1869.0384 1930.5797 107.1262 1.3151 -1069.9904 0.0000 0.0000 2677.2184 6160.2445 295.7062 3483.0261 6192.6903 297.6238 PRESSURE: 2080600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2080600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2080600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2080600 0 0 0 0 0 0 0 0 0 TIMING: 2080600 CPU: 8353.18, 0.00394155/step Wall: 8353.18, 0.00394155/step, 0.459191 hours remaining, 114.421875 MB of memory in use. ENERGY: 2080600 633.5167 1922.0701 1932.3293 103.9802 0.8130 -1097.8251 0.0000 0.0000 2685.6172 6180.5015 296.6339 3494.8843 6211.6832 298.8781 PRESSURE: 2080800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2080800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2080800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2080800 0 0 0 0 0 0 0 0 0 TIMING: 2080800 CPU: 8353.97, 0.0039418/step Wall: 8353.97, 0.0039418/step, 0.459001 hours remaining, 114.421875 MB of memory in use. ENERGY: 2080800 620.0188 1867.8970 1931.2238 107.9970 1.8471 -1068.8749 0.0000 0.0000 2644.9293 6105.0381 292.1398 3460.1088 6137.7199 297.0423 PRESSURE: 2081000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2081000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2081000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2081000 0 0 0 0 0 0 0 0 0 TIMING: 2081000 CPU: 8354.76, 0.00394326/step Wall: 8354.76, 0.00394326/step, 0.458952 hours remaining, 114.421875 MB of memory in use. ENERGY: 2081000 633.6715 1853.4608 1967.5247 107.5350 -1.0748 -1129.8279 0.0000 0.0000 2631.3935 6062.6830 290.6447 3431.2894 6094.2077 292.9643 PRESSURE: 2081200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2081200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2081200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2081200 0 0 0 0 0 0 0 0 0 TIMING: 2081200 CPU: 8355.55, 0.00394403/step Wall: 8355.55, 0.00394403/step, 0.458823 hours remaining, 114.421875 MB of memory in use. ENERGY: 2081200 607.4549 1798.8138 1956.2032 106.4392 1.0398 -1082.5286 0.0000 0.0000 2686.8575 6074.2798 296.7709 3387.4223 6107.7555 293.4372 PRESSURE: 2081400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2081400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2081400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2081400 0 0 0 0 0 0 0 0 0 TIMING: 2081400 CPU: 8356.33, 0.0039396/step Wall: 8356.33, 0.0039396/step, 0.458088 hours remaining, 114.421875 MB of memory in use. ENERGY: 2081400 634.5446 1785.3407 1940.0841 124.8652 -0.1900 -1072.7634 0.0000 0.0000 2664.2048 6076.0859 294.2688 3411.8811 6111.2083 293.8441 PRESSURE: 2081600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2081600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2081600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2081600 0 0 0 0 0 0 0 0 0 TIMING: 2081600 CPU: 8357.12, 0.00394268/step Wall: 8357.12, 0.00394268/step, 0.458227 hours remaining, 114.421875 MB of memory in use. ENERGY: 2081600 631.3637 1818.9784 1956.3057 101.9139 -0.2093 -1076.3388 0.0000 0.0000 2659.1146 6091.1282 293.7066 3432.0136 6124.5881 292.5873 PRESSURE: 2081800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2081800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2081800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2081800 0 0 0 0 0 0 0 0 0 TIMING: 2081800 CPU: 8357.91, 0.00394107/step Wall: 8357.91, 0.00394107/step, 0.457821 hours remaining, 114.421875 MB of memory in use. ENERGY: 2081800 626.5801 1840.3877 1953.1442 101.5887 -0.1995 -1076.7612 0.0000 0.0000 2716.0622 6160.8023 299.9966 3444.7401 6194.6652 296.3697 PRESSURE: 2082000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2082000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2082000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2082000 0 0 0 0 0 0 0 0 0 TIMING: 2082000 CPU: 8358.7, 0.00394122/step Wall: 8358.7, 0.00394122/step, 0.457619 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2082000 660.9312 1799.9941 1959.3416 94.2674 -0.0218 -1100.6332 0.0000 0.0000 2665.4581 6079.3374 294.4073 3413.8793 6112.0769 295.6072 PRESSURE: 2082200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2082200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2082200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2082200 0 0 0 0 0 0 0 0 0 TIMING: 2082200 CPU: 8359.49, 0.00394143/step Wall: 8359.49, 0.00394143/step, 0.457425 hours remaining, 114.421875 MB of memory in use. ENERGY: 2082200 651.3805 1842.8813 1988.6517 102.3614 1.3132 -1078.4266 0.0000 0.0000 2663.2849 6171.4465 294.1672 3508.1616 6203.5083 294.7070 PRESSURE: 2082400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2082400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2082400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2082400 0 0 0 0 0 0 0 0 0 TIMING: 2082400 CPU: 8360.27, 0.00393923/step Wall: 8360.27, 0.00393923/step, 0.456951 hours remaining, 114.421875 MB of memory in use. ENERGY: 2082400 652.7330 1855.1981 1949.5826 108.1200 -0.6042 -1088.3597 0.0000 0.0000 2660.6090 6137.2788 293.8717 3476.6697 6167.7995 296.1611 PRESSURE: 2082600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2082600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2082600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2082600 0 0 0 0 0 0 0 0 0 TIMING: 2082600 CPU: 8361.06, 0.00394252/step Wall: 8361.06, 0.00394252/step, 0.457113 hours remaining, 114.421875 MB of memory in use. ENERGY: 2082600 671.5004 1807.9006 1944.0659 94.4789 0.1605 -1071.8016 0.0000 0.0000 2697.4465 6143.7513 297.9405 3446.3048 6175.0853 296.6980 PRESSURE: 2082800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2082800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2082800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2082800 0 0 0 0 0 0 0 0 0 TIMING: 2082800 CPU: 8361.85, 0.00394099/step Wall: 8361.85, 0.00394099/step, 0.456717 hours remaining, 114.421875 MB of memory in use. ENERGY: 2082800 687.5023 1792.9848 1962.6742 107.0821 1.7000 -1084.8842 0.0000 0.0000 2689.9643 6157.0235 297.1140 3467.0592 6189.4540 295.7992 PRESSURE: 2083000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2083000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2083000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2083000 0 0 0 0 0 0 0 0 0 TIMING: 2083000 CPU: 8362.64, 0.00394187/step Wall: 8362.64, 0.00394187/step, 0.4566 hours remaining, 114.421875 MB of memory in use. ENERGY: 2083000 635.9631 1811.1551 1976.0462 113.1259 0.9170 -1094.2911 0.0000 0.0000 2759.7692 6202.6854 304.8242 3442.9162 6239.6113 297.8606 PRESSURE: 2083200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2083200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2083200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2083200 0 0 0 0 0 0 0 0 0 TIMING: 2083200 CPU: 8363.43, 0.00394319/step Wall: 8363.43, 0.00394319/step, 0.456533 hours remaining, 114.421875 MB of memory in use. ENERGY: 2083200 674.3074 1871.6696 1938.7429 107.6507 0.1665 -1078.2245 0.0000 0.0000 2645.1057 6159.4182 292.1593 3514.3125 6189.6520 298.2759 PRESSURE: 2083400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2083400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2083400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2083400 0 0 0 0 0 0 0 0 0 TIMING: 2083400 CPU: 8364.22, 0.0039393/step Wall: 8364.22, 0.0039393/step, 0.455865 hours remaining, 114.421875 MB of memory in use. ENERGY: 2083400 651.1002 1804.6154 1966.6417 101.8684 2.0615 -1055.7421 0.0000 0.0000 2709.3942 6179.9394 299.2601 3470.5452 6212.6464 299.1844 PRESSURE: 2083600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2083600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2083600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2083600 0 0 0 0 0 0 0 0 0 TIMING: 2083600 CPU: 8365, 0.00394248/step Wall: 8365, 0.00394248/step, 0.456014 hours remaining, 114.421875 MB of memory in use. ENERGY: 2083600 654.1289 1804.4695 1982.1239 94.5728 -0.0154 -1086.8716 0.0000 0.0000 2748.7086 6197.1167 303.6025 3448.4081 6230.3557 300.4860 PRESSURE: 2083800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2083800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2083800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2083800 0 0 0 0 0 0 0 0 0 TIMING: 2083800 CPU: 8365.79, 0.0039424/step Wall: 8365.79, 0.0039424/step, 0.455785 hours remaining, 114.421875 MB of memory in use. ENERGY: 2083800 619.3894 1906.7166 1943.4235 106.1884 2.2489 -1105.8983 0.0000 0.0000 2673.1228 6145.1913 295.2539 3472.0685 6178.2572 298.3440 PRESSURE: 2084000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2084000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2084000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2084000 0 0 0 0 0 0 0 0 0 TIMING: 2084000 CPU: 8366.58, 0.00394186/step Wall: 8366.58, 0.00394186/step, 0.455503 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2084000 629.8478 1893.3013 1960.5436 109.4319 1.0911 -1070.8117 0.0000 0.0000 2717.5401 6240.9441 300.1599 3523.4040 6273.0405 299.5013 PRESSURE: 2084200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2084200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2084200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2084200 0 0 0 0 0 0 0 0 0 TIMING: 2084200 CPU: 8367.37, 0.00394029/step Wall: 8367.37, 0.00394029/step, 0.455104 hours remaining, 114.421875 MB of memory in use. ENERGY: 2084200 667.5314 1853.3709 1964.4560 108.8344 2.1168 -1049.9870 0.0000 0.0000 2699.5893 6245.9118 298.1772 3546.3225 6276.4735 301.4666 LDB: ============= START OF LOAD BALANCING ============== 8370.33 LDB: ============== END OF LOAD BALANCING =============== 8370.33 LDB: =============== DONE WITH MIGRATION ================ 8370.33 LDB: ============= START OF LOAD BALANCING ============== 8370.72 LDB: ============== END OF LOAD BALANCING =============== 8370.72 LDB: =============== DONE WITH MIGRATION ================ 8370.72 PRESSURE: 2084400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2084400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2084400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2084400 0 0 0 0 0 0 0 0 0 TIMING: 2084400 CPU: 8368.16, 0.00394498/step Wall: 8368.16, 0.00394498/step, 0.455426 hours remaining, 114.421875 MB of memory in use. ENERGY: 2084400 641.9639 1850.3007 1976.6103 107.5280 0.8032 -1070.2016 0.0000 0.0000 2738.9651 6245.9695 302.5263 3507.0044 6278.8214 299.6797 PRESSURE: 2084600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2084600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2084600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2084600 0 0 0 0 0 0 0 0 0 TIMING: 2084600 CPU: 8368.95, 0.00394202/step Wall: 8368.95, 0.00394202/step, 0.454865 hours remaining, 114.421875 MB of memory in use. ENERGY: 2084600 678.4283 1817.3625 1995.5968 121.0468 -0.4867 -1082.9087 0.0000 0.0000 2709.1755 6238.2146 299.2360 3529.0391 6270.4866 302.0352 PRESSURE: 2084800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2084800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2084800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2084800 0 0 0 0 0 0 0 0 0 TIMING: 2084800 CPU: 8369.74, 0.00394333/step Wall: 8369.74, 0.00394333/step, 0.454798 hours remaining, 114.421875 MB of memory in use. ENERGY: 2084800 664.6216 1833.6961 1977.4983 114.8024 -0.6442 -1050.2332 0.0000 0.0000 2655.6103 6195.3515 293.3196 3539.7412 6226.9643 300.0945 PRESSURE: 2085000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2085000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2085000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2085000 0 0 0 0 0 0 0 0 0 TIMING: 2085000 CPU: 8370.52, 0.00394309/step Wall: 8370.52, 0.00394309/step, 0.45455 hours remaining, 114.421875 MB of memory in use. ENERGY: 2085000 666.7564 1863.1577 1980.8555 94.0192 -0.3429 -1060.2252 0.0000 0.0000 2667.7792 6211.9999 294.6636 3544.2207 6243.1227 297.7515 PRESSURE: 2085200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2085200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2085200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2085200 0 0 0 0 0 0 0 0 0 TIMING: 2085200 CPU: 8371.31, 0.00394202/step Wall: 8371.31, 0.00394202/step, 0.454208 hours remaining, 114.421875 MB of memory in use. ENERGY: 2085200 644.8938 1872.8395 1950.8350 117.6555 -0.2973 -1075.6510 0.0000 0.0000 2692.8194 6203.0950 297.4294 3510.2755 6233.8875 300.2375 PRESSURE: 2085400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2085400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2085400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2085400 0 0 0 0 0 0 0 0 0 TIMING: 2085400 CPU: 8372.1, 0.00394431/step Wall: 8372.1, 0.00394431/step, 0.454254 hours remaining, 114.421875 MB of memory in use. ENERGY: 2085400 626.4132 1841.9595 1963.9442 112.4923 -0.5036 -1072.3307 0.0000 0.0000 2702.3088 6174.2836 298.4775 3471.9749 6208.6866 298.6867 PRESSURE: 2085600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2085600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2085600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2085600 0 0 0 0 0 0 0 0 0 TIMING: 2085600 CPU: 8372.89, 0.00394482/step Wall: 8372.89, 0.00394482/step, 0.454092 hours remaining, 114.421875 MB of memory in use. ENERGY: 2085600 679.7000 1863.8591 1954.8142 114.7375 0.2902 -1105.6861 0.0000 0.0000 2643.8597 6151.5747 292.0217 3507.7150 6182.1504 297.9083 PRESSURE: 2085800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2085800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2085800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2085800 0 0 0 0 0 0 0 0 0 TIMING: 2085800 CPU: 8373.68, 0.00394388/step Wall: 8373.68, 0.00394388/step, 0.453765 hours remaining, 114.421875 MB of memory in use. ENERGY: 2085800 681.4490 1865.9671 1947.5231 112.3492 1.0154 -1078.3388 0.0000 0.0000 2673.1414 6203.1066 295.2559 3529.9652 6231.0739 297.6574 PRESSURE: 2086000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2086000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2086000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2086000 0 0 0 0 0 0 0 0 0 TIMING: 2086000 CPU: 8374.47, 0.00394355/step Wall: 8374.47, 0.00394355/step, 0.453508 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2086000 655.8410 1829.0888 1952.2514 102.0119 0.3913 -1068.6781 0.0000 0.0000 2702.0161 6172.9223 298.4452 3470.9063 6207.8249 299.1891 PRESSURE: 2086200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2086200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2086200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2086200 0 0 0 0 0 0 0 0 0 TIMING: 2086200 CPU: 8375.26, 0.00394047/step Wall: 8375.26, 0.00394047/step, 0.452936 hours remaining, 114.421875 MB of memory in use. ENERGY: 2086200 669.3175 1850.5195 1945.9668 111.8567 -0.2088 -1058.6718 0.0000 0.0000 2661.0842 6179.8642 293.9242 3518.7799 6210.7848 298.3289 PRESSURE: 2086400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2086400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2086400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2086400 0 0 0 0 0 0 0 0 0 TIMING: 2086400 CPU: 8376.04, 0.00394422/step Wall: 8376.04, 0.00394422/step, 0.453147 hours remaining, 114.421875 MB of memory in use. ENERGY: 2086400 658.9435 1847.9918 1950.1141 120.4394 0.2247 -1092.8280 0.0000 0.0000 2763.7592 6248.6448 305.2649 3484.8856 6280.9665 301.6027 PRESSURE: 2086600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2086600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2086600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2086600 0 0 0 0 0 0 0 0 0 TIMING: 2086600 CPU: 8376.83, 0.00394396/step Wall: 8376.83, 0.00394395/step, 0.452897 hours remaining, 114.421875 MB of memory in use. ENERGY: 2086600 685.3024 1837.4220 1975.0389 111.0329 -0.5271 -1093.4049 0.0000 0.0000 2741.1424 6256.0067 302.7668 3514.8643 6285.2926 302.2954 PRESSURE: 2086800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2086800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2086800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2086800 0 0 0 0 0 0 0 0 0 TIMING: 2086800 CPU: 8377.62, 0.00394494/step Wall: 8377.62, 0.00394495/step, 0.452792 hours remaining, 114.421875 MB of memory in use. ENERGY: 2086800 693.8242 1883.2434 1946.7170 101.3780 -0.0099 -1113.4579 0.0000 0.0000 2678.1592 6189.8539 295.8101 3511.6948 6222.8802 300.4769 PRESSURE: 2087000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2087000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2087000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2087000 0 0 0 0 0 0 0 0 0 TIMING: 2087000 CPU: 8378.41, 0.00394928/step Wall: 8378.41, 0.00394928/step, 0.453071 hours remaining, 114.421875 MB of memory in use. ENERGY: 2087000 640.3555 1854.2971 1947.0932 92.3398 -0.5553 -1100.8268 0.0000 0.0000 2764.5769 6197.2804 305.3552 3432.7034 6235.2184 299.0327 PRESSURE: 2087200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2087200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2087200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2087200 0 0 0 0 0 0 0 0 0 TIMING: 2087200 CPU: 8379.2, 0.00394138/step Wall: 8379.2, 0.00394138/step, 0.451945 hours remaining, 114.421875 MB of memory in use. ENERGY: 2087200 672.4165 1850.2093 1997.8140 107.4621 -0.2767 -1096.8004 0.0000 0.0000 2688.3716 6219.1964 296.9381 3530.8248 6249.9710 299.6365 PRESSURE: 2087400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2087400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2087400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2087400 0 0 0 0 0 0 0 0 0 TIMING: 2087400 CPU: 8379.99, 0.00394395/step Wall: 8379.99, 0.00394395/step, 0.452021 hours remaining, 114.421875 MB of memory in use. ENERGY: 2087400 674.8676 1784.3966 1947.9066 110.0501 0.9681 -1014.6469 0.0000 0.0000 2711.1940 6214.7360 299.4589 3503.5420 6248.0654 298.8226 PRESSURE: 2087600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2087600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2087600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2087600 0 0 0 0 0 0 0 0 0 TIMING: 2087600 CPU: 8380.78, 0.00394528/step Wall: 8380.78, 0.00394528/step, 0.451954 hours remaining, 114.421875 MB of memory in use. ENERGY: 2087600 651.1452 1812.3671 1955.0864 110.1380 0.0387 -1054.6475 0.0000 0.0000 2712.6934 6186.8213 299.6245 3474.1279 6219.8213 297.9415 PRESSURE: 2087800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2087800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2087800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2087800 0 0 0 0 0 0 0 0 0 TIMING: 2087800 CPU: 8381.57, 0.00394582/step Wall: 8381.57, 0.00394582/step, 0.451797 hours remaining, 114.421875 MB of memory in use. ENERGY: 2087800 624.3027 1861.6033 1961.9739 111.8783 1.7798 -1078.2996 0.0000 0.0000 2757.2731 6240.5115 304.5485 3483.2384 6272.7186 300.7942 PRESSURE: 2088000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2088000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2088000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2088000 0 0 0 0 0 0 0 0 0 TIMING: 2088000 CPU: 8382.36, 0.00394146/step Wall: 8382.36, 0.00394146/step, 0.451078 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2088000 682.8859 1827.2474 1972.8417 111.1421 -0.5534 -1080.4576 0.0000 0.0000 2667.8682 6180.9741 294.6735 3513.1059 6211.2191 300.8375 PRESSURE: 2088200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2088200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2088200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2088200 0 0 0 0 0 0 0 0 0 TIMING: 2088200 CPU: 8383.14, 0.00394519/step Wall: 8383.14, 0.00394519/step, 0.451286 hours remaining, 114.421875 MB of memory in use. ENERGY: 2088200 636.6573 1830.3095 1951.0563 112.7172 1.1856 -1077.3786 0.0000 0.0000 2769.1147 6223.6620 305.8564 3454.5473 6254.0895 299.7013 LDB: ============= START OF LOAD BALANCING ============== 8386.1 LDB: ============== END OF LOAD BALANCING =============== 8386.1 LDB: =============== DONE WITH MIGRATION ================ 8386.1 LDB: ============= START OF LOAD BALANCING ============== 8386.5 LDB: ============== END OF LOAD BALANCING =============== 8386.5 LDB: =============== DONE WITH MIGRATION ================ 8386.5 PRESSURE: 2088400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2088400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2088400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2088400 0 0 0 0 0 0 0 0 0 TIMING: 2088400 CPU: 8383.93, 0.00394829/step Wall: 8383.93, 0.0039483/step, 0.451422 hours remaining, 114.421875 MB of memory in use. ENERGY: 2088400 660.1362 1872.2706 1998.0626 113.0218 1.9332 -1095.5175 0.0000 0.0000 2725.3639 6275.2708 301.0240 3549.9069 6309.1491 302.7163 PRESSURE: 2088600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2088600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2088600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2088600 0 0 0 0 0 0 0 0 0 TIMING: 2088600 CPU: 8384.72, 0.00394481/step Wall: 8384.72, 0.00394481/step, 0.450804 hours remaining, 114.421875 MB of memory in use. ENERGY: 2088600 681.9316 1861.2886 1931.7391 110.9624 1.4238 -1089.2778 0.0000 0.0000 2779.9884 6278.0561 307.0575 3498.0677 6312.9553 305.7187 PRESSURE: 2088800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2088800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2088800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2088800 0 0 0 0 0 0 0 0 0 TIMING: 2088800 CPU: 8385.51, 0.00395501/step Wall: 8385.51, 0.00395501/step, 0.451751 hours remaining, 114.421875 MB of memory in use. ENERGY: 2088800 623.4894 1878.8064 1959.7427 119.8008 -0.1136 -1053.5514 0.0000 0.0000 2734.8888 6263.0630 302.0761 3528.1742 6296.8119 303.8523 PRESSURE: 2089000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2089000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2089000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2089000 0 0 0 0 0 0 0 0 0 TIMING: 2089000 CPU: 8386.3, 0.00394734/step Wall: 8386.3, 0.00394734/step, 0.450654 hours remaining, 114.421875 MB of memory in use. ENERGY: 2089000 681.6671 1855.8322 1963.0025 98.5944 -0.5972 -1098.1776 0.0000 0.0000 2700.6723 6200.9936 298.2968 3500.3213 6230.7766 300.6005 PRESSURE: 2089200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2089200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2089200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2089200 0 0 0 0 0 0 0 0 0 TIMING: 2089200 CPU: 8387.09, 0.00394905/step Wall: 8387.09, 0.00394905/step, 0.45063 hours remaining, 114.421875 MB of memory in use. ENERGY: 2089200 644.9586 1884.7210 1945.4659 103.4328 0.0458 -1072.5274 0.0000 0.0000 2724.6558 6230.7524 300.9458 3506.0966 6264.7945 301.8538 PRESSURE: 2089400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2089400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2089400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2089400 0 0 0 0 0 0 0 0 0 TIMING: 2089400 CPU: 8387.88, 0.00394338/step Wall: 8387.88, 0.00394338/step, 0.449764 hours remaining, 114.421875 MB of memory in use. ENERGY: 2089400 669.0670 1871.3746 1982.4601 105.0866 0.9859 -1059.8482 0.0000 0.0000 2706.1274 6275.2533 298.8993 3569.1260 6310.5052 301.7050 PRESSURE: 2089600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2089600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2089600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2089600 0 0 0 0 0 0 0 0 0 TIMING: 2089600 CPU: 8388.67, 0.00394453/step Wall: 8388.67, 0.00394453/step, 0.449676 hours remaining, 114.421875 MB of memory in use. ENERGY: 2089600 653.5585 1899.4787 1949.2571 106.1958 -1.3527 -1092.5399 0.0000 0.0000 2725.8815 6240.4789 301.0812 3514.5974 6272.5128 301.5108 PRESSURE: 2089800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2089800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2089800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2089800 0 0 0 0 0 0 0 0 0 TIMING: 2089800 CPU: 8389.46, 0.00394356/step Wall: 8389.46, 0.00394355/step, 0.449346 hours remaining, 114.421875 MB of memory in use. ENERGY: 2089800 656.2995 1878.6142 1950.9868 100.3409 0.2296 -1087.4652 0.0000 0.0000 2756.7434 6255.7493 304.4900 3499.0058 6286.2266 303.5622 PRESSURE: 2090000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2090000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2090000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2090000 0 0 0 0 0 0 0 0 0 TIMING: 2090000 CPU: 8390.25, 0.00394063/step Wall: 8390.25, 0.00394064/step, 0.448795 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2090000 641.3790 1851.0417 1963.0590 112.8462 -0.0707 -1077.9382 0.0000 0.0000 2743.8252 6234.1422 303.0631 3490.3170 6267.4511 301.9991 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2090000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2090000 WRITING COORDINATES TO RESTART FILE AT STEP 2090000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2090000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2090200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2090200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2090200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2090200 0 0 0 0 0 0 0 0 0 TIMING: 2090200 CPU: 8391.08, 0.00417019/step Wall: 8391.08, 0.00417019/step, 0.474707 hours remaining, 114.421875 MB of memory in use. ENERGY: 2090200 691.8277 1840.3659 1957.3631 99.7941 1.1226 -1100.2510 0.0000 0.0000 2749.0412 6239.2635 303.6393 3490.2223 6276.4586 302.5731 PRESSURE: 2090400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2090400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2090400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2090400 0 0 0 0 0 0 0 0 0 TIMING: 2090400 CPU: 8391.87, 0.00394245/step Wall: 8391.87, 0.00394245/step, 0.448563 hours remaining, 114.421875 MB of memory in use. ENERGY: 2090400 684.1463 1895.6938 1948.4684 106.8436 0.3487 -1095.1633 0.0000 0.0000 2684.2144 6224.5519 296.4790 3540.3375 6256.7509 300.0420 PRESSURE: 2090600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2090600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2090600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2090600 0 0 0 0 0 0 0 0 0 TIMING: 2090600 CPU: 8392.66, 0.00394239/step Wall: 8392.66, 0.00394239/step, 0.448337 hours remaining, 114.421875 MB of memory in use. ENERGY: 2090600 635.7973 1870.6362 1946.5483 107.0079 0.3263 -1108.9469 0.0000 0.0000 2732.5841 6183.9532 301.8215 3451.3691 6218.7397 300.4932 PRESSURE: 2090800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2090800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2090800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2090800 0 0 0 0 0 0 0 0 0 TIMING: 2090800 CPU: 8393.45, 0.00394333/step Wall: 8393.45, 0.00394333/step, 0.448225 hours remaining, 114.421875 MB of memory in use. ENERGY: 2090800 633.5999 1842.1121 1968.7345 113.8468 1.1955 -1094.0587 0.0000 0.0000 2693.7489 6159.1789 297.5321 3465.4300 6193.0362 298.3812 PRESSURE: 2091000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2091000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2091000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2091000 0 0 0 0 0 0 0 0 0 TIMING: 2091000 CPU: 8394.24, 0.00394027/step Wall: 8394.24, 0.00394027/step, 0.447658 hours remaining, 114.421875 MB of memory in use. ENERGY: 2091000 666.4237 1903.3757 1936.4708 116.5600 0.6688 -1097.2894 0.0000 0.0000 2729.8962 6256.1059 301.5246 3526.2097 6289.0168 300.7953 PRESSURE: 2091200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2091200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2091200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2091200 0 0 0 0 0 0 0 0 0 TIMING: 2091200 CPU: 8395.02, 0.00394458/step Wall: 8395.02, 0.00394459/step, 0.44793 hours remaining, 114.421875 MB of memory in use. ENERGY: 2091200 681.2241 1894.5381 1933.1417 108.9461 0.3234 -1112.7482 0.0000 0.0000 2758.7660 6264.1911 304.7134 3505.4251 6296.6215 302.8545 PRESSURE: 2091400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2091400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2091400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2091400 0 0 0 0 0 0 0 0 0 TIMING: 2091400 CPU: 8395.81, 0.00394285/step Wall: 8395.81, 0.00394285/step, 0.447513 hours remaining, 114.421875 MB of memory in use. ENERGY: 2091400 642.5262 1924.4459 1950.9001 123.5019 0.7112 -1100.0473 0.0000 0.0000 2693.5936 6235.6317 297.5149 3542.0381 6270.0353 301.9945 PRESSURE: 2091600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2091600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2091600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2091600 0 0 0 0 0 0 0 0 0 TIMING: 2091600 CPU: 8396.6, 0.0039432/step Wall: 8396.6, 0.0039432/step, 0.447334 hours remaining, 114.421875 MB of memory in use. ENERGY: 2091600 659.8272 1901.8347 1953.7530 113.2588 0.3870 -1066.4581 0.0000 0.0000 2707.8920 6270.4946 299.0942 3562.6026 6303.2131 301.6151 PRESSURE: 2091800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2091800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2091800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2091800 0 0 0 0 0 0 0 0 0 TIMING: 2091800 CPU: 8397.39, 0.00393996/step Wall: 8397.39, 0.00393996/step, 0.446748 hours remaining, 114.421875 MB of memory in use. ENERGY: 2091800 642.1083 1850.9003 1947.8083 112.9867 0.6220 -1092.4896 0.0000 0.0000 2777.3863 6239.3224 306.7701 3461.9361 6274.3057 302.8791 PRESSURE: 2092000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2092000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2092000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2092000 0 0 0 0 0 0 0 0 0 TIMING: 2092000 CPU: 8398.18, 0.00394211/step Wall: 8398.18, 0.0039421/step, 0.446772 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2092000 648.3112 1837.2685 1932.2181 104.7277 0.1116 -1104.5942 0.0000 0.0000 2785.8641 6203.9069 307.7064 3418.0428 6241.2985 300.7204 PRESSURE: 2092200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2092200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2092200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2092200 0 0 0 0 0 0 0 0 0 TIMING: 2092200 CPU: 8398.97, 0.00394174/step Wall: 8398.97, 0.00394175/step, 0.446513 hours remaining, 114.421875 MB of memory in use. ENERGY: 2092200 648.2716 1886.0443 1932.6278 108.4810 0.0585 -1093.7176 0.0000 0.0000 2721.2817 6203.0473 300.5731 3481.7656 6233.6538 300.1092 LDB: ============= START OF LOAD BALANCING ============== 8401.93 LDB: ============== END OF LOAD BALANCING =============== 8401.93 LDB: =============== DONE WITH MIGRATION ================ 8401.93 LDB: ============= START OF LOAD BALANCING ============== 8402.32 LDB: ============== END OF LOAD BALANCING =============== 8402.32 LDB: =============== DONE WITH MIGRATION ================ 8402.32 PRESSURE: 2092400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2092400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2092400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2092400 0 0 0 0 0 0 0 0 0 TIMING: 2092400 CPU: 8399.76, 0.00394681/step Wall: 8399.76, 0.00394681/step, 0.446866 hours remaining, 114.421875 MB of memory in use. ENERGY: 2092400 674.4831 1871.8391 1974.8485 107.7564 -0.3559 -1129.3990 0.0000 0.0000 2657.3984 6156.5708 293.5171 3499.1724 6190.6958 298.3335 PRESSURE: 2092600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2092600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2092600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2092600 0 0 0 0 0 0 0 0 0 TIMING: 2092600 CPU: 8400.54, 0.0039412/step Wall: 8400.54, 0.0039412/step, 0.446012 hours remaining, 114.421875 MB of memory in use. ENERGY: 2092600 668.7054 1862.4060 1924.3210 92.6123 -0.0926 -1108.4222 0.0000 0.0000 2696.5112 6136.0410 297.8372 3439.5298 6167.6408 296.3737 PRESSURE: 2092800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2092800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2092800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2092800 0 0 0 0 0 0 0 0 0 TIMING: 2092800 CPU: 8401.33, 0.00393847/step Wall: 8401.33, 0.00393847/step, 0.445485 hours remaining, 114.421875 MB of memory in use. ENERGY: 2092800 636.5405 1863.4269 1957.6680 113.0218 -0.4284 -1101.8810 0.0000 0.0000 2638.6792 6107.0269 291.4495 3468.3478 6138.8592 295.5568 PRESSURE: 2093000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2093000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2093000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2093000 0 0 0 0 0 0 0 0 0 TIMING: 2093000 CPU: 8402.12, 0.00394381/step Wall: 8402.12, 0.00394381/step, 0.44587 hours remaining, 114.421875 MB of memory in use. ENERGY: 2093000 656.7361 1881.4669 1947.4267 110.1319 -0.0812 -1091.0031 0.0000 0.0000 2676.3935 6181.0707 295.6151 3504.6772 6211.6804 295.4700 PRESSURE: 2093200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2093200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2093200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2093200 0 0 0 0 0 0 0 0 0 TIMING: 2093200 CPU: 8402.91, 0.00394222/step Wall: 8402.91, 0.00394222/step, 0.445471 hours remaining, 114.421875 MB of memory in use. ENERGY: 2093200 673.3438 1868.9746 1945.4470 110.5282 -1.4045 -1084.7925 0.0000 0.0000 2645.3792 6157.4758 292.1895 3512.0966 6184.7339 296.5814 PRESSURE: 2093400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2093400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2093400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2093400 0 0 0 0 0 0 0 0 0 TIMING: 2093400 CPU: 8403.7, 0.00394125/step Wall: 8403.7, 0.00394125/step, 0.445142 hours remaining, 114.421875 MB of memory in use. ENERGY: 2093400 666.3668 1872.9750 1939.6962 122.3179 -0.0792 -1069.3342 0.0000 0.0000 2648.9053 6180.8478 292.5790 3531.9425 6211.8459 297.4434 PRESSURE: 2093600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2093600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2093600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2093600 0 0 0 0 0 0 0 0 0 TIMING: 2093600 CPU: 8404.49, 0.00394076/step Wall: 8404.49, 0.00394076/step, 0.444869 hours remaining, 114.421875 MB of memory in use. ENERGY: 2093600 631.7982 1849.7064 1944.0068 106.0253 0.8127 -1125.1239 0.0000 0.0000 2743.0421 6150.2677 302.9766 3407.2255 6185.2275 296.3925 PRESSURE: 2093800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2093800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2093800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2093800 0 0 0 0 0 0 0 0 0 TIMING: 2093800 CPU: 8405.27, 0.00393852/step Wall: 8405.27, 0.00393852/step, 0.444396 hours remaining, 114.421875 MB of memory in use. ENERGY: 2093800 669.8125 1792.6093 1927.6015 103.0279 0.7391 -1088.1774 0.0000 0.0000 2660.5882 6066.2011 293.8694 3405.6128 6099.0767 295.3150 PRESSURE: 2094000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2094000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2094000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2094000 0 0 0 0 0 0 0 0 0 TIMING: 2094000 CPU: 8406.06, 0.00394043/step Wall: 8406.06, 0.00394043/step, 0.444393 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2094000 648.9466 1827.6071 1918.8317 104.7233 -0.6749 -1088.2214 0.0000 0.0000 2749.9239 6161.1362 303.7368 3411.2123 6198.2228 293.9485 PRESSURE: 2094200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2094200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2094200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2094200 0 0 0 0 0 0 0 0 0 TIMING: 2094200 CPU: 8406.85, 0.0039416/step Wall: 8406.85, 0.0039416/step, 0.444306 hours remaining, 114.421875 MB of memory in use. ENERGY: 2094200 657.9641 1843.1092 1965.3691 106.8961 -0.2381 -1075.4295 0.0000 0.0000 2702.5305 6200.2014 298.5020 3497.6710 6232.5324 299.1342 PRESSURE: 2094400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2094400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2094400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2094400 0 0 0 0 0 0 0 0 0 TIMING: 2094400 CPU: 8407.64, 0.0039428/step Wall: 8407.64, 0.0039428/step, 0.444222 hours remaining, 114.421875 MB of memory in use. ENERGY: 2094400 666.6980 1849.3510 1944.4013 111.9910 0.4882 -1085.0550 0.0000 0.0000 2741.8721 6229.7467 302.8474 3487.8746 6262.2032 301.4664 PRESSURE: 2094600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2094600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2094600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2094600 0 0 0 0 0 0 0 0 0 TIMING: 2094600 CPU: 8408.43, 0.00393971/step Wall: 8408.43, 0.00393971/step, 0.443655 hours remaining, 114.421875 MB of memory in use. ENERGY: 2094600 648.9970 1850.2336 1963.8171 107.0281 0.6872 -1081.6508 0.0000 0.0000 2714.5577 6203.6698 299.8305 3489.1121 6237.3006 298.9202 PRESSURE: 2094800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2094800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2094800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2094800 0 0 0 0 0 0 0 0 0 TIMING: 2094800 CPU: 8409.22, 0.00394352/step Wall: 8409.22, 0.00394352/step, 0.443865 hours remaining, 114.421875 MB of memory in use. ENERGY: 2094800 608.4708 1827.6747 1943.9950 111.6562 -0.0242 -1044.4781 0.0000 0.0000 2762.6764 6209.9709 305.1453 3447.2945 6245.3586 299.2826 PRESSURE: 2095000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2095000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2095000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2095000 0 0 0 0 0 0 0 0 0 TIMING: 2095000 CPU: 8410, 0.00394197/step Wall: 8410, 0.00394197/step, 0.443471 hours remaining, 114.421875 MB of memory in use. ENERGY: 2095000 667.4954 1875.0048 1928.8236 101.4970 0.5099 -1067.8692 0.0000 0.0000 2742.2385 6247.7002 302.8879 3505.4616 6282.5015 299.9538 PRESSURE: 2095200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2095200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2095200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2095200 0 0 0 0 0 0 0 0 0 TIMING: 2095200 CPU: 8410.79, 0.00394316/step Wall: 8410.79, 0.00394316/step, 0.443386 hours remaining, 114.421875 MB of memory in use. ENERGY: 2095200 662.3229 1876.4762 1967.0599 99.0432 0.1415 -1090.8388 0.0000 0.0000 2783.5419 6297.7468 307.4500 3514.2049 6331.7415 301.6027 PRESSURE: 2095400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2095400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2095400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2095400 0 0 0 0 0 0 0 0 0 TIMING: 2095400 CPU: 8411.58, 0.00394361/step Wall: 8411.58, 0.00394361/step, 0.443217 hours remaining, 114.421875 MB of memory in use. ENERGY: 2095400 643.5887 1916.6811 1962.0205 103.0452 -0.0435 -1055.4226 0.0000 0.0000 2767.6204 6337.4898 305.6914 3569.8695 6370.9149 304.9243 PRESSURE: 2095600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2095600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2095600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2095600 0 0 0 0 0 0 0 0 0 TIMING: 2095600 CPU: 8412.37, 0.00393909/step Wall: 8412.37, 0.00393909/step, 0.442492 hours remaining, 114.421875 MB of memory in use. ENERGY: 2095600 692.1844 1822.7206 1994.0382 104.9026 0.2975 -1062.8850 0.0000 0.0000 2810.6519 6361.9102 310.4443 3551.2584 6395.5800 307.0832 PRESSURE: 2095800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2095800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2095800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2095800 0 0 0 0 0 0 0 0 0 TIMING: 2095800 CPU: 8413.16, 0.00394325/step Wall: 8413.16, 0.00394325/step, 0.442739 hours remaining, 114.421875 MB of memory in use. ENERGY: 2095800 637.9387 1852.3325 1968.4408 106.9491 0.7100 -1024.8216 0.0000 0.0000 2812.9004 6354.4498 310.6927 3541.5494 6389.7377 307.1540 PRESSURE: 2096000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2096000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2096000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2096000 0 0 0 0 0 0 0 0 0 TIMING: 2096000 CPU: 8413.95, 0.00394199/step Wall: 8413.95, 0.00394199/step, 0.442379 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2096000 663.2849 1874.8733 1962.6819 113.5600 1.6616 -1061.4961 0.0000 0.0000 2759.7091 6314.2746 304.8176 3554.5655 6345.4798 306.9472 PRESSURE: 2096200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2096200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2096200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2096200 0 0 0 0 0 0 0 0 0 TIMING: 2096200 CPU: 8414.73, 0.00394385/step Wall: 8414.73, 0.00394385/step, 0.442368 hours remaining, 114.421875 MB of memory in use. ENERGY: 2096200 642.8747 1920.9614 1952.3590 111.4212 0.0208 -1087.7270 0.0000 0.0000 2753.8643 6293.7744 304.1720 3539.9101 6328.7631 305.3542 LDB: ============= START OF LOAD BALANCING ============== 8417.69 LDB: ============== END OF LOAD BALANCING =============== 8417.69 LDB: =============== DONE WITH MIGRATION ================ 8417.69 LDB: ============= START OF LOAD BALANCING ============== 8418.09 LDB: ============== END OF LOAD BALANCING =============== 8418.09 LDB: =============== DONE WITH MIGRATION ================ 8418.09 PRESSURE: 2096400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2096400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2096400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2096400 0 0 0 0 0 0 0 0 0 TIMING: 2096400 CPU: 8415.52, 0.00394711/step Wall: 8415.52, 0.00394711/step, 0.442515 hours remaining, 114.421875 MB of memory in use. ENERGY: 2096400 637.0373 1920.6736 1940.8052 111.7363 -0.7083 -1073.0956 0.0000 0.0000 2763.8238 6300.2723 305.2720 3536.4485 6333.8190 304.5202 PRESSURE: 2096600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2096600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2096600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2096600 0 0 0 0 0 0 0 0 0 TIMING: 2096600 CPU: 8416.31, 0.00393961/step Wall: 8416.31, 0.00393961/step, 0.441455 hours remaining, 114.421875 MB of memory in use. ENERGY: 2096600 671.6854 1862.4752 1954.2895 104.1346 0.4491 -1039.3675 0.0000 0.0000 2756.5233 6310.1897 304.4657 3553.6664 6344.7135 305.0021 PRESSURE: 2096800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2096800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2096800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2096800 0 0 0 0 0 0 0 0 0 TIMING: 2096800 CPU: 8417.1, 0.00394163/step Wall: 8417.1, 0.00394163/step, 0.441462 hours remaining, 114.421875 MB of memory in use. ENERGY: 2096800 690.8830 1810.9288 1959.1363 104.1745 1.0288 -1072.9288 0.0000 0.0000 2746.6031 6239.8257 303.3700 3493.2226 6273.9525 302.4571 PRESSURE: 2097000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2097000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2097000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2097000 0 0 0 0 0 0 0 0 0 TIMING: 2097000 CPU: 8417.89, 0.0039419/step Wall: 8417.89, 0.0039419/step, 0.441274 hours remaining, 114.421875 MB of memory in use. ENERGY: 2097000 648.6985 1827.4802 1946.9819 126.4057 -0.7392 -1110.7599 0.0000 0.0000 2769.4109 6207.4782 305.8892 3438.0672 6242.9601 302.8030 PRESSURE: 2097200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2097200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2097200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2097200 0 0 0 0 0 0 0 0 0 TIMING: 2097200 CPU: 8418.68, 0.00394874/step Wall: 8418.68, 0.00394874/step, 0.441821 hours remaining, 114.421875 MB of memory in use. ENERGY: 2097200 670.7438 1825.7702 1958.6540 103.5541 1.2238 -1096.1822 0.0000 0.0000 2715.7755 6179.5392 299.9650 3463.7637 6216.4108 297.8941 PRESSURE: 2097400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2097400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2097400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2097400 0 0 0 0 0 0 0 0 0 TIMING: 2097400 CPU: 8419.47, 0.00393898/step Wall: 8419.47, 0.00393898/step, 0.440509 hours remaining, 114.421875 MB of memory in use. ENERGY: 2097400 651.9390 1883.8538 1934.4344 95.6514 1.5024 -1093.9683 0.0000 0.0000 2708.6227 6182.0355 299.1749 3473.4128 6216.0543 298.5223 PRESSURE: 2097600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2097600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2097600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2097600 0 0 0 0 0 0 0 0 0 TIMING: 2097600 CPU: 8420.26, 0.00394527/step Wall: 8420.26, 0.00394527/step, 0.440994 hours remaining, 114.421875 MB of memory in use. ENERGY: 2097600 663.4181 1846.5378 1957.7298 122.0446 1.5274 -1082.5035 0.0000 0.0000 2760.5372 6269.2913 304.9090 3508.7542 6301.7089 301.1497 PRESSURE: 2097800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2097800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2097800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2097800 0 0 0 0 0 0 0 0 0 TIMING: 2097800 CPU: 8421.04, 0.00394623/step Wall: 8421.04, 0.00394623/step, 0.440881 hours remaining, 114.421875 MB of memory in use. ENERGY: 2097800 670.2579 1837.1012 1987.8412 113.9212 1.0716 -1100.7982 0.0000 0.0000 2669.4928 6178.8877 294.8529 3509.3950 6211.5663 299.8496 PRESSURE: 2098000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2098000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2098000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2098000 0 0 0 0 0 0 0 0 0 TIMING: 2098000 CPU: 8421.83, 0.00394418/step Wall: 8421.83, 0.00394418/step, 0.440434 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2098000 662.9103 1803.1706 1948.5745 108.8505 0.7006 -1085.5655 0.0000 0.0000 2724.5476 6163.1885 300.9339 3438.6409 6197.7756 298.5553 PRESSURE: 2098200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2098200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2098200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2098200 0 0 0 0 0 0 0 0 0 TIMING: 2098200 CPU: 8422.62, 0.0039433/step Wall: 8422.62, 0.0039433/step, 0.440116 hours remaining, 114.421875 MB of memory in use. ENERGY: 2098200 654.8336 1819.5775 1955.3764 108.9526 0.9467 -1067.1174 0.0000 0.0000 2660.0431 6132.6125 293.8092 3472.5693 6163.9130 295.3590 PRESSURE: 2098400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2098400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2098400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2098400 0 0 0 0 0 0 0 0 0 TIMING: 2098400 CPU: 8423.41, 0.00393932/step Wall: 8423.41, 0.00393932/step, 0.439452 hours remaining, 114.421875 MB of memory in use. ENERGY: 2098400 654.1193 1856.9847 1946.5661 113.9091 1.2015 -1085.3740 0.0000 0.0000 2666.4608 6153.8675 294.5180 3487.4067 6189.0615 295.3054 PRESSURE: 2098600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2098600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2098600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2098600 0 0 0 0 0 0 0 0 0 TIMING: 2098600 CPU: 8424.2, 0.00394435/step Wall: 8424.2, 0.00394435/step, 0.439795 hours remaining, 114.421875 MB of memory in use. ENERGY: 2098600 624.2668 1852.4083 1969.7731 120.9545 1.6506 -1080.6231 0.0000 0.0000 2699.7940 6188.2242 298.1998 3488.4302 6220.1317 297.3257 PRESSURE: 2098800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2098800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2098800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2098800 0 0 0 0 0 0 0 0 0 TIMING: 2098800 CPU: 8424.99, 0.00394305/step Wall: 8424.99, 0.00394305/step, 0.439431 hours remaining, 114.421875 MB of memory in use. ENERGY: 2098800 663.6913 1866.0846 1904.4049 121.8115 2.4785 -1073.1838 0.0000 0.0000 2718.1180 6203.4050 300.2237 3485.2870 6236.5700 299.9338 PRESSURE: 2099000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2099000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2099000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2099000 0 0 0 0 0 0 0 0 0 TIMING: 2099000 CPU: 8425.78, 0.00394152/step Wall: 8425.78, 0.00394152/step, 0.439041 hours remaining, 114.421875 MB of memory in use. ENERGY: 2099000 670.5176 1838.7905 1938.9610 106.3519 2.5490 -1122.1638 0.0000 0.0000 2789.5220 6224.5281 308.1105 3435.0061 6260.5558 300.6739 PRESSURE: 2099200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2099200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2099200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2099200 0 0 0 0 0 0 0 0 0 TIMING: 2099200 CPU: 8426.56, 0.0039419/step Wall: 8426.56, 0.0039419/step, 0.438865 hours remaining, 114.421875 MB of memory in use. ENERGY: 2099200 647.6409 1894.9249 1911.0926 107.3855 1.2921 -1039.6660 0.0000 0.0000 2722.0609 6244.7309 300.6592 3522.6699 6275.1538 299.7806 PRESSURE: 2099400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2099400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2099400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2099400 0 0 0 0 0 0 0 0 0 TIMING: 2099400 CPU: 8427.35, 0.00393793/step Wall: 8427.35, 0.00393793/step, 0.438204 hours remaining, 114.421875 MB of memory in use. ENERGY: 2099400 639.9515 1886.5414 1962.3974 105.4931 1.1436 -1039.1857 0.0000 0.0000 2667.2000 6223.5412 294.5997 3556.3412 6256.3137 301.2005 PRESSURE: 2099600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2099600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2099600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2099600 0 0 0 0 0 0 0 0 0 TIMING: 2099600 CPU: 8428.14, 0.00394379/step Wall: 8428.14, 0.00394379/step, 0.438637 hours remaining, 114.421875 MB of memory in use. ENERGY: 2099600 653.6825 1869.9827 1941.1002 116.0117 1.6623 -1042.9238 0.0000 0.0000 2689.5404 6229.0561 297.0672 3539.5157 6260.7948 298.6457 PRESSURE: 2099800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2099800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2099800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2099800 0 0 0 0 0 0 0 0 0 TIMING: 2099800 CPU: 8428.93, 0.00394272/step Wall: 8428.93, 0.00394272/step, 0.438299 hours remaining, 114.421875 MB of memory in use. ENERGY: 2099800 645.5796 1862.8664 1958.1632 109.6234 1.9547 -1056.3030 0.0000 0.0000 2722.5786 6244.4628 300.7164 3521.8842 6277.2422 301.2259 PRESSURE: 2100000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2100000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2100000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2100000 0 0 0 0 0 0 0 0 0 TIMING: 2100000 CPU: 8429.72, 0.00394554/step Wall: 8429.72, 0.00394554/step, 0.438394 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2100000 645.0830 1864.9480 1962.9245 108.6846 -0.0699 -1089.8783 0.0000 0.0000 2739.6579 6231.3498 302.6028 3491.6918 6266.1209 300.4356 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2100200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2100200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2100200 0 0 0 0 0 0 0 0 0 TIMING: 2100200 CPU: 8430.55, 0.00415347/step Wall: 8430.55, 0.00415347/step, 0.461265 hours remaining, 114.421875 MB of memory in use. ENERGY: 2100200 665.1611 1880.5620 1952.4813 111.1905 1.9127 -1101.5839 0.0000 0.0000 2674.2398 6183.9634 295.3772 3509.7236 6217.2862 299.8032 LDB: ============= START OF LOAD BALANCING ============== 8433.51 LDB: ============== END OF LOAD BALANCING =============== 8433.51 LDB: =============== DONE WITH MIGRATION ================ 8433.51 LDB: ============= START OF LOAD BALANCING ============== 8433.9 LDB: ============== END OF LOAD BALANCING =============== 8433.9 LDB: =============== DONE WITH MIGRATION ================ 8433.9 PRESSURE: 2100400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2100400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2100400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2100400 0 0 0 0 0 0 0 0 0 TIMING: 2100400 CPU: 8431.34, 0.00394553/step Wall: 8431.34, 0.00394553/step, 0.437953 hours remaining, 114.421875 MB of memory in use. ENERGY: 2100400 657.7614 1925.8212 1930.9901 108.1174 1.3809 -1130.9721 0.0000 0.0000 2680.7387 6173.8377 296.0951 3493.0990 6205.8283 300.2104 PRESSURE: 2100600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2100600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2100600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2100600 0 0 0 0 0 0 0 0 0 TIMING: 2100600 CPU: 8432.13, 0.00394407/step Wall: 8432.13, 0.00394407/step, 0.437573 hours remaining, 114.421875 MB of memory in use. ENERGY: 2100600 660.7528 1893.3322 1963.5299 119.4497 3.1994 -1104.0415 0.0000 0.0000 2683.4905 6219.7131 296.3990 3536.2225 6252.4129 298.7247 PRESSURE: 2100800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2100800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2100800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2100800 0 0 0 0 0 0 0 0 0 TIMING: 2100800 CPU: 8432.92, 0.00394394/step Wall: 8432.92, 0.00394394/step, 0.437339 hours remaining, 114.421875 MB of memory in use. ENERGY: 2100800 646.4868 1855.5923 1991.6626 114.6083 1.7018 -1076.3568 0.0000 0.0000 2726.8892 6260.5842 301.1925 3533.6950 6292.8311 301.5277 PRESSURE: 2101000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2101000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2101000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2101000 0 0 0 0 0 0 0 0 0 TIMING: 2101000 CPU: 8433.7, 0.00394349/step Wall: 8433.7, 0.00394349/step, 0.43707 hours remaining, 114.421875 MB of memory in use. ENERGY: 2101000 664.0895 1828.9857 1998.1017 113.2536 3.0797 -1089.5540 0.0000 0.0000 2754.1772 6272.1333 304.2065 3517.9561 6308.8564 302.5262 PRESSURE: 2101200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2101200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2101200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2101200 0 0 0 0 0 0 0 0 0 TIMING: 2101200 CPU: 8434.49, 0.00394098/step Wall: 8434.49, 0.00394098/step, 0.436573 hours remaining, 114.421875 MB of memory in use. ENERGY: 2101200 663.9130 1885.2598 1969.8188 112.7401 1.1261 -1065.9183 0.0000 0.0000 2670.9618 6237.9014 295.0152 3566.9395 6270.8705 302.0544 PRESSURE: 2101400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2101400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2101400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2101400 0 0 0 0 0 0 0 0 0 TIMING: 2101400 CPU: 8435.28, 0.00394437/step Wall: 8435.28, 0.00394437/step, 0.43673 hours remaining, 114.421875 MB of memory in use. ENERGY: 2101400 688.3658 1881.8384 1957.7686 85.8103 2.0682 -1112.9077 0.0000 0.0000 2715.8306 6218.7742 299.9711 3502.9436 6250.8062 300.8534 PRESSURE: 2101600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2101600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2101600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2101600 0 0 0 0 0 0 0 0 0 TIMING: 2101600 CPU: 8436.07, 0.00394505/step Wall: 8436.07, 0.00394505/step, 0.436586 hours remaining, 114.421875 MB of memory in use. ENERGY: 2101600 632.3991 1825.1149 1964.7182 104.9860 2.3566 -1055.3163 0.0000 0.0000 2721.4774 6195.7358 300.5948 3474.2584 6228.2450 299.2350 PRESSURE: 2101800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2101800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2101800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2101800 0 0 0 0 0 0 0 0 0 TIMING: 2101800 CPU: 8436.86, 0.00394417/step Wall: 8436.86, 0.00394417/step, 0.436269 hours remaining, 114.421875 MB of memory in use. ENERGY: 2101800 654.9809 1852.9962 1945.9462 113.2675 1.1147 -1092.5993 0.0000 0.0000 2717.5819 6193.2880 300.1645 3475.7061 6222.2182 299.9804 PRESSURE: 2102000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2102000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2102000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2102000 0 0 0 0 0 0 0 0 0 TIMING: 2102000 CPU: 8437.65, 0.00394318/step Wall: 8437.65, 0.00394318/step, 0.43594 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2102000 663.5725 1857.6738 1963.7326 97.9177 1.9015 -1082.7821 0.0000 0.0000 2676.1032 6178.1192 295.5831 3502.0160 6209.9278 299.5701 PRESSURE: 2102200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2102200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2102200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2102200 0 0 0 0 0 0 0 0 0 TIMING: 2102200 CPU: 8438.44, 0.00394093/step Wall: 8438.44, 0.00394093/step, 0.435473 hours remaining, 114.421875 MB of memory in use. ENERGY: 2102200 639.5930 1836.7984 1984.5376 100.6297 2.1356 -1076.7988 0.0000 0.0000 2665.3328 6152.2283 294.3934 3486.8955 6185.7158 298.7790 PRESSURE: 2102400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2102400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2102400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2102400 0 0 0 0 0 0 0 0 0 TIMING: 2102400 CPU: 8439.22, 0.00394387/step Wall: 8439.22, 0.00394387/step, 0.435579 hours remaining, 114.421875 MB of memory in use. ENERGY: 2102400 603.0494 1864.9655 1983.3691 123.4145 2.1458 -1067.6440 0.0000 0.0000 2674.0485 6183.3487 295.3561 3509.3003 6215.6597 297.2725 PRESSURE: 2102600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2102600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2102600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2102600 0 0 0 0 0 0 0 0 0 TIMING: 2102600 CPU: 8440.01, 0.00394294/step Wall: 8440.01, 0.00394294/step, 0.435257 hours remaining, 114.421875 MB of memory in use. ENERGY: 2102600 640.0479 1797.7282 1939.1350 105.7675 1.9194 -1040.5851 0.0000 0.0000 2728.8121 6172.8249 301.4049 3444.0128 6208.2259 297.6154 PRESSURE: 2102800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2102800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2102800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2102800 0 0 0 0 0 0 0 0 0 TIMING: 2102800 CPU: 8440.8, 0.00394302/step Wall: 8440.8, 0.00394302/step, 0.435046 hours remaining, 114.421875 MB of memory in use. ENERGY: 2102800 644.9079 1832.7812 1936.8121 117.1335 0.1243 -1083.0970 0.0000 0.0000 2719.9337 6168.5958 300.4243 3448.6620 6200.9738 298.2516 PRESSURE: 2103000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2103000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2103000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2103000 0 0 0 0 0 0 0 0 0 TIMING: 2103000 CPU: 8441.59, 0.00394445/step Wall: 8441.59, 0.00394445/step, 0.434986 hours remaining, 114.421875 MB of memory in use. ENERGY: 2103000 655.8991 1827.0179 1947.5412 98.5146 2.2282 -1092.9228 0.0000 0.0000 2717.4982 6155.7764 300.1552 3438.2782 6192.5299 296.9377 PRESSURE: 2103200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2103200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2103200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2103200 0 0 0 0 0 0 0 0 0 TIMING: 2103200 CPU: 8442.38, 0.00393995/step Wall: 8442.38, 0.00393995/step, 0.43427 hours remaining, 114.421875 MB of memory in use. ENERGY: 2103200 666.7162 1912.6058 1961.0903 121.1715 0.5318 -1085.7659 0.0000 0.0000 2671.3511 6247.7008 295.0582 3576.3497 6281.0204 299.9513 PRESSURE: 2103400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2103400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2103400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2103400 0 0 0 0 0 0 0 0 0 TIMING: 2103400 CPU: 8443.17, 0.00394469/step Wall: 8443.17, 0.00394469/step, 0.434573 hours remaining, 114.421875 MB of memory in use. ENERGY: 2103400 639.7543 1881.0782 1925.5883 110.3685 3.2547 -1088.8931 0.0000 0.0000 2716.0765 6187.2275 299.9982 3471.1510 6218.9884 299.2367 PRESSURE: 2103600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2103600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2103600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2103600 0 0 0 0 0 0 0 0 0 TIMING: 2103600 CPU: 8443.96, 0.00394351/step Wall: 8443.96, 0.00394351/step, 0.434224 hours remaining, 114.421875 MB of memory in use. ENERGY: 2103600 648.0836 1835.8732 1969.1790 111.0426 1.3228 -1070.0514 0.0000 0.0000 2625.5615 6121.0113 290.0006 3495.4498 6153.8618 295.9035 PRESSURE: 2103800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2103800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2103800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2103800 0 0 0 0 0 0 0 0 0 TIMING: 2103800 CPU: 8444.74, 0.0039425/step Wall: 8444.74, 0.0039425/step, 0.433894 hours remaining, 114.421875 MB of memory in use. ENERGY: 2103800 664.0079 1810.1792 1950.1694 101.5371 1.1856 -1129.4061 0.0000 0.0000 2704.8402 6102.5134 298.7571 3397.6732 6136.9411 294.9098 PRESSURE: 2104000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2104000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2104000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2104000 0 0 0 0 0 0 0 0 0 TIMING: 2104000 CPU: 8445.53, 0.0039468/step Wall: 8445.53, 0.0039468/step, 0.434148 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2104000 646.5729 1816.8969 1972.6474 115.1354 0.5289 -1083.3955 0.0000 0.0000 2704.3415 6172.7275 298.7021 3468.3860 6208.3644 296.9279 PRESSURE: 2104200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2104200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2104200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2104200 0 0 0 0 0 0 0 0 0 TIMING: 2104200 CPU: 8446.32, 0.00394208/step Wall: 8446.32, 0.00394208/step, 0.43341 hours remaining, 114.421875 MB of memory in use. ENERGY: 2104200 669.9164 1862.9251 1946.1193 97.9785 1.3223 -1078.0950 0.0000 0.0000 2628.0456 6128.2122 290.2750 3500.1666 6162.7537 296.0036 LDB: ============= START OF LOAD BALANCING ============== 8449.28 LDB: ============== END OF LOAD BALANCING =============== 8449.28 LDB: =============== DONE WITH MIGRATION ================ 8449.28 LDB: ============= START OF LOAD BALANCING ============== 8449.68 LDB: ============== END OF LOAD BALANCING =============== 8449.68 LDB: =============== DONE WITH MIGRATION ================ 8449.68 PRESSURE: 2104400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2104400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2104400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2104400 0 0 0 0 0 0 0 0 0 TIMING: 2104400 CPU: 8447.11, 0.00395074/step Wall: 8447.11, 0.00395074/step, 0.434142 hours remaining, 114.421875 MB of memory in use. ENERGY: 2104400 649.1578 1821.5032 1895.9778 103.4457 1.0599 -1081.7296 0.0000 0.0000 2728.2708 6117.6856 301.3451 3389.4147 6150.4050 296.0769 PRESSURE: 2104600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2104600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2104600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2104600 0 0 0 0 0 0 0 0 0 TIMING: 2104600 CPU: 8447.9, 0.00394252/step Wall: 8447.9, 0.00394252/step, 0.43302 hours remaining, 114.421875 MB of memory in use. ENERGY: 2104600 601.6123 1878.9724 1933.9454 114.4126 1.7276 -1057.5901 0.0000 0.0000 2716.3504 6189.4306 300.0285 3473.0802 6223.1116 297.3125 PRESSURE: 2104800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2104800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2104800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2104800 0 0 0 0 0 0 0 0 0 TIMING: 2104800 CPU: 8448.69, 0.00394256/step Wall: 8448.69, 0.00394256/step, 0.432805 hours remaining, 114.421875 MB of memory in use. ENERGY: 2104800 644.7978 1852.8763 1944.8418 97.9491 0.8939 -1066.7449 0.0000 0.0000 2644.2864 6118.9005 292.0688 3474.6141 6152.6981 295.6185 PRESSURE: 2105000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2105000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2105000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2105000 0 0 0 0 0 0 0 0 0 TIMING: 2105000 CPU: 8449.48, 0.0039402/step Wall: 8449.48, 0.0039402/step, 0.432328 hours remaining, 114.421875 MB of memory in use. ENERGY: 2105000 664.8023 1833.2184 1936.8516 114.8090 0.4186 -1072.6158 0.0000 0.0000 2616.4649 6093.9490 288.9958 3477.4841 6126.4584 292.2870 PRESSURE: 2105200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2105200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2105200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2105200 0 0 0 0 0 0 0 0 0 TIMING: 2105200 CPU: 8450.27, 0.00394124/step Wall: 8450.27, 0.00394124/step, 0.432223 hours remaining, 114.421875 MB of memory in use. ENERGY: 2105200 659.5822 1804.7810 1962.1433 95.4861 0.4400 -1063.9363 0.0000 0.0000 2644.1624 6102.6587 292.0551 3458.4963 6134.4971 293.0453 PRESSURE: 2105400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2105400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2105400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2105400 0 0 0 0 0 0 0 0 0 TIMING: 2105400 CPU: 8451.05, 0.00394365/step Wall: 8451.05, 0.00394364/step, 0.432267 hours remaining, 114.421875 MB of memory in use. ENERGY: 2105400 642.9313 1848.2087 1959.7264 108.4214 0.5444 -1102.5065 0.0000 0.0000 2689.3065 6146.6322 297.0414 3457.3257 6180.1863 296.0088 PRESSURE: 2105600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2105600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2105600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2105600 0 0 0 0 0 0 0 0 0 TIMING: 2105600 CPU: 8451.84, 0.003943/step Wall: 8451.84, 0.003943/step, 0.431978 hours remaining, 114.421875 MB of memory in use. ENERGY: 2105600 647.2132 1808.6901 1929.2847 111.4821 0.0350 -1051.3352 0.0000 0.0000 2681.2233 6126.5933 296.1486 3445.3700 6157.6122 294.6595 PRESSURE: 2105800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2105800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2105800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2105800 0 0 0 0 0 0 0 0 0 TIMING: 2105800 CPU: 8452.63, 0.00394297/step Wall: 8452.63, 0.00394297/step, 0.431755 hours remaining, 114.421875 MB of memory in use. ENERGY: 2105800 612.0571 1883.0272 1954.1948 110.3339 0.1334 -1084.0298 0.0000 0.0000 2669.0514 6144.7680 294.8042 3475.7166 6178.1076 295.8397 PRESSURE: 2106000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2106000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2106000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2106000 0 0 0 0 0 0 0 0 0 TIMING: 2106000 CPU: 8453.42, 0.00393908/step Wall: 8453.42, 0.00393908/step, 0.43111 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2106000 629.5836 1867.2308 1960.1660 117.6094 1.1127 -1091.1239 0.0000 0.0000 2665.0930 6149.6715 294.3669 3484.5785 6179.3538 296.4033 PRESSURE: 2106200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2106200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2106200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2106200 0 0 0 0 0 0 0 0 0 TIMING: 2106200 CPU: 8454.21, 0.00394356/step Wall: 8454.21, 0.00394356/step, 0.431382 hours remaining, 114.421875 MB of memory in use. ENERGY: 2106200 671.0844 1799.9462 1946.4336 111.0165 1.6540 -1086.6145 0.0000 0.0000 2691.6092 6135.1293 297.2957 3443.5201 6167.7747 296.7163 PRESSURE: 2106400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2106400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2106400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2106400 0 0 0 0 0 0 0 0 0 TIMING: 2106400 CPU: 8455, 0.00394238/step Wall: 8455, 0.00394238/step, 0.431034 hours remaining, 114.421875 MB of memory in use. ENERGY: 2106400 673.2368 1830.2411 1982.7650 107.0323 0.6557 -1072.6920 0.0000 0.0000 2730.8142 6252.0532 301.6260 3521.2390 6284.4097 299.3919 PRESSURE: 2106600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2106600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2106600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2106600 0 0 0 0 0 0 0 0 0 TIMING: 2106600 CPU: 8455.79, 0.00394334/step Wall: 8455.79, 0.00394334/step, 0.430919 hours remaining, 114.421875 MB of memory in use. ENERGY: 2106600 666.4760 1869.1265 1936.8844 98.1431 0.1088 -1111.6907 0.0000 0.0000 2692.8520 6151.9000 297.4330 3459.0480 6183.7678 299.9940 PRESSURE: 2106800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2106800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2106800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2106800 0 0 0 0 0 0 0 0 0 TIMING: 2106800 CPU: 8456.57, 0.00394279/step Wall: 8456.57, 0.00394278/step, 0.430639 hours remaining, 114.421875 MB of memory in use. ENERGY: 2106800 658.5280 1850.0420 1956.4515 90.5350 0.1313 -1124.4487 0.0000 0.0000 2714.8578 6146.0968 299.8636 3431.2390 6180.8957 293.9415 PRESSURE: 2107000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2107000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2107000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2107000 0 0 0 0 0 0 0 0 0 TIMING: 2107000 CPU: 8457.36, 0.00394004/step Wall: 8457.36, 0.00394004/step, 0.430121 hours remaining, 114.421875 MB of memory in use. ENERGY: 2107000 654.6728 1873.6024 1970.5129 100.3918 0.9775 -1097.4717 0.0000 0.0000 2629.1043 6131.7899 290.3919 3502.6857 6162.5828 294.8606 PRESSURE: 2107200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2107200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2107200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2107200 0 0 0 0 0 0 0 0 0 TIMING: 2107200 CPU: 8458.15, 0.00394336/step Wall: 8458.15, 0.00394336/step, 0.430265 hours remaining, 114.421875 MB of memory in use. ENERGY: 2107200 625.2621 1869.3082 1958.3643 110.8922 -0.3835 -1086.8201 0.0000 0.0000 2656.7705 6133.3937 293.4477 3476.6232 6166.1080 296.4427 PRESSURE: 2107400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2107400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2107400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2107400 0 0 0 0 0 0 0 0 0 TIMING: 2107400 CPU: 8458.94, 0.00394782/step Wall: 8458.94, 0.00394782/step, 0.430532 hours remaining, 114.421875 MB of memory in use. ENERGY: 2107400 652.1508 1855.3911 1928.6745 102.0746 1.4785 -1080.7524 0.0000 0.0000 2651.9088 6110.9260 292.9107 3459.0172 6144.2918 294.3860 PRESSURE: 2107600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2107600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2107600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2107600 0 0 0 0 0 0 0 0 0 TIMING: 2107600 CPU: 8459.73, 0.00394234/step Wall: 8459.73, 0.00394234/step, 0.429715 hours remaining, 114.421875 MB of memory in use. ENERGY: 2107600 659.0139 1880.5772 1957.4752 114.8966 0.4070 -1099.8529 0.0000 0.0000 2634.8580 6147.3749 291.0274 3512.5169 6180.2773 294.0564 PRESSURE: 2107800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2107800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2107800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2107800 0 0 0 0 0 0 0 0 0 TIMING: 2107800 CPU: 8460.52, 0.00394029/step Wall: 8460.52, 0.00394029/step, 0.429272 hours remaining, 114.421875 MB of memory in use. ENERGY: 2107800 637.0968 1872.9972 1926.0804 118.5849 1.0397 -1072.8273 0.0000 0.0000 2713.7811 6196.7528 299.7447 3482.9717 6231.2814 296.4370 PRESSURE: 2108000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2108000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2108000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2108000 0 0 0 0 0 0 0 0 0 TIMING: 2108000 CPU: 8461.31, 0.00394475/step Wall: 8461.31, 0.00394475/step, 0.42954 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2108000 620.1627 1866.4219 1967.7795 110.5639 1.4702 -1048.1449 0.0000 0.0000 2696.9276 6215.1808 297.8832 3518.2532 6248.4009 299.8730 PRESSURE: 2108200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2108200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2108200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2108200 0 0 0 0 0 0 0 0 0 TIMING: 2108200 CPU: 8462.09, 0.00394446/step Wall: 8462.09, 0.00394446/step, 0.429289 hours remaining, 114.421875 MB of memory in use. ENERGY: 2108200 662.8921 1854.1170 1955.7489 106.5000 1.0878 -1045.5275 0.0000 0.0000 2723.5668 6258.3850 300.8255 3534.8183 6289.8799 300.2829 LDB: ============= START OF LOAD BALANCING ============== 8465.05 LDB: ============== END OF LOAD BALANCING =============== 8465.05 LDB: =============== DONE WITH MIGRATION ================ 8465.05 LDB: ============= START OF LOAD BALANCING ============== 8465.45 LDB: ============== END OF LOAD BALANCING =============== 8465.45 LDB: =============== DONE WITH MIGRATION ================ 8465.45 PRESSURE: 2108400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2108400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2108400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2108400 0 0 0 0 0 0 0 0 0 TIMING: 2108400 CPU: 8462.88, 0.00394713/step Wall: 8462.88, 0.00394713/step, 0.42936 hours remaining, 114.421875 MB of memory in use. ENERGY: 2108400 654.0621 1841.9420 1932.7318 111.0082 0.5749 -1063.8496 0.0000 0.0000 2764.2146 6240.6840 305.3152 3476.4694 6275.7454 301.5432 PRESSURE: 2108600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2108600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2108600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2108600 0 0 0 0 0 0 0 0 0 TIMING: 2108600 CPU: 8463.67, 0.00394379/step Wall: 8463.67, 0.00394379/step, 0.428778 hours remaining, 114.421875 MB of memory in use. ENERGY: 2108600 649.4119 1860.1731 1975.6821 129.3389 1.1077 -1059.4218 0.0000 0.0000 2714.3744 6270.6664 299.8102 3556.2920 6304.0300 301.8376 PRESSURE: 2108800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2108800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2108800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2108800 0 0 0 0 0 0 0 0 0 TIMING: 2108800 CPU: 8464.46, 0.00394016/step Wall: 8464.46, 0.00394016/step, 0.428164 hours remaining, 114.421875 MB of memory in use. ENERGY: 2108800 672.3034 1847.4487 1957.5013 118.2434 0.7871 -1058.9232 0.0000 0.0000 2700.9408 6238.3016 298.3264 3537.3608 6274.3224 301.5776 PRESSURE: 2109000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2109000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2109000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2109000 0 0 0 0 0 0 0 0 0 TIMING: 2109000 CPU: 8465.25, 0.00394231/step Wall: 8465.25, 0.00394231/step, 0.428179 hours remaining, 114.421875 MB of memory in use. ENERGY: 2109000 658.6004 1872.5869 1973.7030 116.8398 0.0149 -1086.3789 0.0000 0.0000 2726.9872 6262.3533 301.2033 3535.3661 6294.9307 300.0188 PRESSURE: 2109200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2109200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2109200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2109200 0 0 0 0 0 0 0 0 0 TIMING: 2109200 CPU: 8466.04, 0.0039422/step Wall: 8466.04, 0.00394221/step, 0.427949 hours remaining, 114.421875 MB of memory in use. ENERGY: 2109200 663.5192 1885.7137 1975.8720 101.1800 0.4134 -1069.9491 0.0000 0.0000 2715.5377 6272.2868 299.9387 3556.7491 6304.5412 303.0628 PRESSURE: 2109400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2109400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2109400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2109400 0 0 0 0 0 0 0 0 0 TIMING: 2109400 CPU: 8466.83, 0.00394029/step Wall: 8466.83, 0.00394029/step, 0.427521 hours remaining, 114.421875 MB of memory in use. ENERGY: 2109400 678.1609 1933.5336 1945.8509 116.4510 2.1847 -1095.8345 0.0000 0.0000 2699.6729 6280.0194 298.1864 3580.3465 6311.2136 302.6019 PRESSURE: 2109600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2109600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2109600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2109600 0 0 0 0 0 0 0 0 0 TIMING: 2109600 CPU: 8467.61, 0.00394077/step Wall: 8467.61, 0.00394077/step, 0.427355 hours remaining, 114.421875 MB of memory in use. ENERGY: 2109600 639.2424 1807.8249 1982.9102 120.5414 1.0189 -1076.6396 0.0000 0.0000 2711.0461 6185.9444 299.4426 3474.8982 6221.4772 301.9671 PRESSURE: 2109800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2109800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2109800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2109800 0 0 0 0 0 0 0 0 0 TIMING: 2109800 CPU: 8468.4, 0.00393746/step Wall: 8468.4, 0.00393746/step, 0.426777 hours remaining, 114.421875 MB of memory in use. ENERGY: 2109800 666.1527 1810.0759 1955.1998 106.2466 0.8804 -1078.6606 0.0000 0.0000 2766.4856 6226.3803 305.5660 3459.8947 6258.8931 299.4500 PRESSURE: 2110000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2110000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2110000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2110000 0 0 0 0 0 0 0 0 0 TIMING: 2110000 CPU: 8469.19, 0.00394235/step Wall: 8469.19, 0.00394235/step, 0.427088 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2110000 649.8696 1823.6439 1965.3384 96.0121 1.2193 -1078.2189 0.0000 0.0000 2747.0818 6204.9463 303.4228 3457.8645 6239.5591 299.8347 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2110000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2110000 WRITING COORDINATES TO RESTART FILE AT STEP 2110000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2110000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2110200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2110200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2110200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2110200 0 0 0 0 0 0 0 0 0 TIMING: 2110200 CPU: 8470.02, 0.0041537/step Wall: 8470.02, 0.0041537/step, 0.449754 hours remaining, 114.421875 MB of memory in use. ENERGY: 2110200 599.7524 1854.2178 1954.9553 105.0478 1.5600 -1047.4348 0.0000 0.0000 2738.3960 6206.4944 302.4635 3468.0985 6242.2890 298.0209 PRESSURE: 2110400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2110400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2110400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2110400 0 0 0 0 0 0 0 0 0 TIMING: 2110400 CPU: 8470.81, 0.00394256/step Wall: 8470.81, 0.00394256/step, 0.426672 hours remaining, 114.421875 MB of memory in use. ENERGY: 2110400 652.8722 1845.3939 1974.2919 106.3072 -0.4074 -1080.6137 0.0000 0.0000 2712.8130 6210.6571 299.6378 3497.8441 6242.0848 300.0703 PRESSURE: 2110600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2110600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2110600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2110600 0 0 0 0 0 0 0 0 0 TIMING: 2110600 CPU: 8471.6, 0.00394341/step Wall: 8471.6, 0.00394341/step, 0.426546 hours remaining, 114.421875 MB of memory in use. ENERGY: 2110600 668.7260 1882.3102 1946.2174 110.9474 -0.0494 -1072.0486 0.0000 0.0000 2698.2636 6234.3666 298.0307 3536.1030 6264.9118 299.8907 PRESSURE: 2110800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2110800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2110800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2110800 0 0 0 0 0 0 0 0 0 TIMING: 2110800 CPU: 8472.39, 0.00393916/step Wall: 8472.39, 0.00393916/step, 0.425866 hours remaining, 114.421875 MB of memory in use. ENERGY: 2110800 648.6495 1864.0559 1946.9398 119.3128 0.0559 -1075.2685 0.0000 0.0000 2737.6873 6241.4328 302.3852 3503.7455 6275.2030 298.8815 PRESSURE: 2111000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2111000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2111000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2111000 0 0 0 0 0 0 0 0 0 TIMING: 2111000 CPU: 8473.17, 0.00394382/step Wall: 8473.17, 0.00394382/step, 0.426152 hours remaining, 114.421875 MB of memory in use. ENERGY: 2111000 655.0046 1837.7047 1977.3756 112.4962 0.6781 -1075.6066 0.0000 0.0000 2714.4794 6222.1321 299.8218 3507.6527 6255.7538 300.6487 PRESSURE: 2111200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2111200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2111200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2111200 0 0 0 0 0 0 0 0 0 TIMING: 2111200 CPU: 8473.96, 0.00394212/step Wall: 8473.96, 0.00394212/step, 0.425749 hours remaining, 114.421875 MB of memory in use. ENERGY: 2111200 624.4732 1834.3002 1982.2684 113.7740 0.2449 -1080.8109 0.0000 0.0000 2724.7652 6199.0150 300.9579 3474.2497 6235.1563 299.2588 PRESSURE: 2111400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2111400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2111400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2111400 0 0 0 0 0 0 0 0 0 TIMING: 2111400 CPU: 8474.75, 0.00394184/step Wall: 8474.75, 0.00394183/step, 0.425499 hours remaining, 114.421875 MB of memory in use. ENERGY: 2111400 654.0451 1818.8113 1933.6452 113.1480 -0.0184 -1060.8639 0.0000 0.0000 2709.3528 6168.1200 299.2556 3458.7672 6200.6587 298.4729 PRESSURE: 2111600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2111600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2111600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2111600 0 0 0 0 0 0 0 0 0 TIMING: 2111600 CPU: 8475.54, 0.00394044/step Wall: 8475.54, 0.00394045/step, 0.425131 hours remaining, 114.421875 MB of memory in use. ENERGY: 2111600 649.4993 1821.2272 1951.5771 125.5364 -0.9718 -1078.0148 0.0000 0.0000 2714.2495 6183.1028 299.7964 3468.8533 6216.6891 297.3532 PRESSURE: 2111800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2111800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2111800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2111800 0 0 0 0 0 0 0 0 0 TIMING: 2111800 CPU: 8476.85, 0.00655388/step Wall: 8476.85, 0.00655388/step, 0.706727 hours remaining, 114.421875 MB of memory in use. ENERGY: 2111800 666.7497 1815.8767 1941.8802 103.9704 -0.3369 -1064.9567 0.0000 0.0000 2699.9467 6163.1301 298.2166 3463.1834 6197.6336 296.5989 PRESSURE: 2112000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2112000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2112000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2112000 0 0 0 0 0 0 0 0 0 TIMING: 2112000 CPU: 8477.64, 0.00396553/step Wall: 8477.64, 0.00396552/step, 0.427395 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2112000 629.2007 1799.8423 1971.8904 115.3457 0.9383 -1054.5280 0.0000 0.0000 2712.7989 6175.4883 299.6362 3462.6894 6211.6304 295.6187 PRESSURE: 2112200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2112200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2112200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2112200 0 0 0 0 0 0 0 0 0 TIMING: 2112200 CPU: 8478.43, 0.00394071/step Wall: 8478.43, 0.00394072/step, 0.424503 hours remaining, 114.421875 MB of memory in use. ENERGY: 2112200 649.9732 1864.4282 1969.9917 87.2714 1.4888 -1050.7895 0.0000 0.0000 2671.5254 6193.8892 295.0774 3522.3638 6227.5522 297.0886 LDB: ============= START OF LOAD BALANCING ============== 8481.39 LDB: ============== END OF LOAD BALANCING =============== 8481.39 LDB: =============== DONE WITH MIGRATION ================ 8481.39 LDB: ============= START OF LOAD BALANCING ============== 8481.79 LDB: ============== END OF LOAD BALANCING =============== 8481.79 LDB: =============== DONE WITH MIGRATION ================ 8481.79 PRESSURE: 2112400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2112400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2112400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2112400 0 0 0 0 0 0 0 0 0 TIMING: 2112400 CPU: 8479.22, 0.00394887/step Wall: 8479.22, 0.00394887/step, 0.425162 hours remaining, 114.421875 MB of memory in use. ENERGY: 2112400 654.5495 1830.5736 1971.6464 112.2758 -0.3769 -1032.1656 0.0000 0.0000 2738.2466 6274.7493 302.4470 3536.5028 6311.0909 297.8767 PRESSURE: 2112600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2112600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2112600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2112600 0 0 0 0 0 0 0 0 0 TIMING: 2112600 CPU: 8480.01, 0.00394324/step Wall: 8480.01, 0.00394324/step, 0.424337 hours remaining, 114.421875 MB of memory in use. ENERGY: 2112600 680.6649 1807.6613 1966.4403 100.7791 0.8419 -1010.1383 0.0000 0.0000 2688.9269 6235.1761 296.9995 3546.2492 6266.4675 300.0364 PRESSURE: 2112800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2112800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2112800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2112800 0 0 0 0 0 0 0 0 0 TIMING: 2112800 CPU: 8480.8, 0.00394292/step Wall: 8480.8, 0.00394292/step, 0.424082 hours remaining, 114.421875 MB of memory in use. ENERGY: 2112800 665.4458 1824.2766 1939.8128 100.0874 -0.0334 -1047.0190 0.0000 0.0000 2683.2408 6165.8109 296.3714 3482.5701 6198.4551 297.6170 PRESSURE: 2113000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2113000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2113000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2113000 0 0 0 0 0 0 0 0 0 TIMING: 2113000 CPU: 8481.59, 0.0039395/step Wall: 8481.59, 0.0039395/step, 0.423497 hours remaining, 114.421875 MB of memory in use. ENERGY: 2113000 659.0594 1853.4168 1961.1038 119.7698 -0.1914 -1097.1594 0.0000 0.0000 2705.6888 6201.6879 298.8509 3495.9991 6238.2013 296.0912 PRESSURE: 2113200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2113200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2113200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2113200 0 0 0 0 0 0 0 0 0 TIMING: 2113200 CPU: 8482.38, 0.00394361/step Wall: 8482.38, 0.00394361/step, 0.423718 hours remaining, 114.421875 MB of memory in use. ENERGY: 2113200 682.3921 1866.5355 1981.0549 113.0735 -0.3402 -1084.5168 0.0000 0.0000 2640.8962 6199.0952 291.6943 3558.1990 6229.8286 296.4538 PRESSURE: 2113400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2113400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2113400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2113400 0 0 0 0 0 0 0 0 0 TIMING: 2113400 CPU: 8483.16, 0.00394317/step Wall: 8483.16, 0.00394317/step, 0.423452 hours remaining, 114.421875 MB of memory in use. ENERGY: 2113400 650.0800 1838.4943 1991.5438 96.6924 0.4331 -1068.9474 0.0000 0.0000 2696.8372 6205.1335 297.8732 3508.2962 6237.2664 300.0082 PRESSURE: 2113600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2113600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2113600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2113600 0 0 0 0 0 0 0 0 0 TIMING: 2113600 CPU: 8483.95, 0.00394321/step Wall: 8483.95, 0.00394321/step, 0.423238 hours remaining, 114.421875 MB of memory in use. ENERGY: 2113600 675.5356 1842.7251 1949.4249 106.1242 0.9812 -1063.8995 0.0000 0.0000 2717.3740 6228.2655 300.1415 3510.8915 6259.9150 298.6038 PRESSURE: 2113800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2113800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2113800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2113800 0 0 0 0 0 0 0 0 0 TIMING: 2113800 CPU: 8484.74, 0.00394423/step Wall: 8484.74, 0.00394423/step, 0.423128 hours remaining, 114.421875 MB of memory in use. ENERGY: 2113800 663.6497 1807.4639 1959.9333 113.1549 1.3793 -1091.0243 0.0000 0.0000 2724.3362 6178.8929 300.9105 3454.5568 6214.9326 300.0324 PRESSURE: 2114000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2114000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2114000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2114000 0 0 0 0 0 0 0 0 0 TIMING: 2114000 CPU: 8485.53, 0.00394082/step Wall: 8485.53, 0.00394082/step, 0.422543 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2114000 672.8811 1864.7092 1944.3653 114.8216 0.3500 -1078.3643 0.0000 0.0000 2680.8879 6199.6508 296.1115 3518.7629 6229.1073 297.5994 PRESSURE: 2114200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2114200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2114200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2114200 0 0 0 0 0 0 0 0 0 TIMING: 2114200 CPU: 8486.32, 0.00394382/step Wall: 8486.32, 0.00394382/step, 0.422646 hours remaining, 114.421875 MB of memory in use. ENERGY: 2114200 650.4768 1816.6252 1983.6226 105.2009 -0.4264 -1074.1760 0.0000 0.0000 2697.9551 6179.2782 297.9967 3481.3231 6214.0273 297.1174 PRESSURE: 2114400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2114400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2114400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2114400 0 0 0 0 0 0 0 0 0 TIMING: 2114400 CPU: 8487.11, 0.00394351/step Wall: 8487.11, 0.00394351/step, 0.422394 hours remaining, 114.421875 MB of memory in use. ENERGY: 2114400 640.6447 1808.8799 1955.1343 101.6927 0.3469 -1036.6918 0.0000 0.0000 2714.4469 6184.4536 299.8182 3470.0066 6219.4123 296.4615 PRESSURE: 2114600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2114600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2114600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2114600 0 0 0 0 0 0 0 0 0 TIMING: 2114600 CPU: 8487.9, 0.00394326/step Wall: 8487.9, 0.00394326/step, 0.422148 hours remaining, 114.421875 MB of memory in use. ENERGY: 2114600 663.4415 1871.3366 1935.6715 112.1053 1.0051 -1054.9854 0.0000 0.0000 2697.8656 6226.4401 297.9868 3528.5745 6259.5229 298.1688 PRESSURE: 2114800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2114800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2114800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2114800 0 0 0 0 0 0 0 0 0 TIMING: 2114800 CPU: 8488.68, 0.00394282/step Wall: 8488.68, 0.00394282/step, 0.421882 hours remaining, 114.421875 MB of memory in use. ENERGY: 2114800 650.9589 1878.5334 1983.8130 101.5254 0.4539 -1067.6374 0.0000 0.0000 2670.2629 6217.9101 294.9380 3547.6472 6252.0077 298.1930 PRESSURE: 2115000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2115000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2115000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2115000 0 0 0 0 0 0 0 0 0 TIMING: 2115000 CPU: 8489.47, 0.00393916/step Wall: 8489.47, 0.00393916/step, 0.421271 hours remaining, 114.421875 MB of memory in use. ENERGY: 2115000 667.6465 1853.8224 1960.4713 111.6700 1.6625 -1057.0413 0.0000 0.0000 2757.7590 6295.9903 304.6022 3538.2313 6328.7286 300.5618 PRESSURE: 2115200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2115200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2115200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2115200 0 0 0 0 0 0 0 0 0 TIMING: 2115200 CPU: 8490.26, 0.00394289/step Wall: 8490.26, 0.00394289/step, 0.421451 hours remaining, 114.421875 MB of memory in use. ENERGY: 2115200 653.0732 1801.6766 1954.6171 98.4295 2.0360 -1050.8376 0.0000 0.0000 2776.0859 6235.0807 306.6264 3458.9948 6271.8063 301.0515 PRESSURE: 2115400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2115400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2115400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2115400 0 0 0 0 0 0 0 0 0 TIMING: 2115400 CPU: 8491.05, 0.00394349/step Wall: 8491.05, 0.00394349/step, 0.421296 hours remaining, 114.421875 MB of memory in use. ENERGY: 2115400 653.8464 1854.6436 1972.3739 100.2086 1.1736 -1071.4564 0.0000 0.0000 2702.3927 6213.1824 298.4868 3510.7897 6248.4919 299.3180 PRESSURE: 2115600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2115600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2115600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2115600 0 0 0 0 0 0 0 0 0 TIMING: 2115600 CPU: 8491.84, 0.00394246/step Wall: 8491.84, 0.00394246/step, 0.420967 hours remaining, 114.421875 MB of memory in use. ENERGY: 2115600 647.9910 1867.7562 1952.2321 109.1606 1.1153 -1079.8644 0.0000 0.0000 2751.1764 6249.5672 303.8751 3498.3909 6283.1739 300.0158 PRESSURE: 2115800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2115800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2115800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2115800 0 0 0 0 0 0 0 0 0 TIMING: 2115800 CPU: 8492.63, 0.00394399/step Wall: 8492.63, 0.00394399/step, 0.420911 hours remaining, 114.421875 MB of memory in use. ENERGY: 2115800 718.0058 1911.8553 1929.3823 93.3911 1.5202 -1078.6475 0.0000 0.0000 2670.2036 6245.7109 294.9314 3575.5073 6280.4799 300.5477 PRESSURE: 2116000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2116000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2116000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2116000 0 0 0 0 0 0 0 0 0 TIMING: 2116000 CPU: 8493.41, 0.00394047/step Wall: 8493.41, 0.00394047/step, 0.420317 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2116000 668.1926 1858.2211 1957.9043 112.8408 -0.9298 -1102.5811 0.0000 0.0000 2752.5683 6246.2162 304.0288 3493.6479 6281.3135 301.1620 PRESSURE: 2116200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2116200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2116200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2116200 0 0 0 0 0 0 0 0 0 TIMING: 2116200 CPU: 8494.2, 0.00394349/step Wall: 8494.2, 0.00394349/step, 0.420419 hours remaining, 114.421875 MB of memory in use. ENERGY: 2116200 675.7834 1859.9329 1950.0507 103.9736 -0.6221 -1127.0764 0.0000 0.0000 2736.0518 6198.0939 302.2045 3462.0421 6235.0454 300.6589 LDB: ============= START OF LOAD BALANCING ============== 8497.16 LDB: ============== END OF LOAD BALANCING =============== 8497.16 LDB: =============== DONE WITH MIGRATION ================ 8497.16 LDB: ============= START OF LOAD BALANCING ============== 8497.56 LDB: ============== END OF LOAD BALANCING =============== 8497.56 LDB: =============== DONE WITH MIGRATION ================ 8497.56 PRESSURE: 2116400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2116400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2116400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2116400 0 0 0 0 0 0 0 0 0 TIMING: 2116400 CPU: 8494.99, 0.00394831/step Wall: 8494.99, 0.00394831/step, 0.420714 hours remaining, 114.421875 MB of memory in use. ENERGY: 2116400 638.8021 1843.9560 1967.5308 112.2591 0.6796 -1067.6152 0.0000 0.0000 2701.6330 6197.2453 298.4029 3495.6123 6229.4317 299.3369 PRESSURE: 2116600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2116600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2116600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2116600 0 0 0 0 0 0 0 0 0 TIMING: 2116600 CPU: 8495.78, 0.00394497/step Wall: 8495.78, 0.00394497/step, 0.420139 hours remaining, 114.421875 MB of memory in use. ENERGY: 2116600 648.6795 1881.2352 1963.0153 95.7628 2.0904 -1086.2055 0.0000 0.0000 2709.1655 6213.7432 299.2349 3504.5777 6247.9227 298.1568 PRESSURE: 2116800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2116800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2116800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2116800 0 0 0 0 0 0 0 0 0 TIMING: 2116800 CPU: 8496.57, 0.00393839/step Wall: 8496.57, 0.00393839/step, 0.41922 hours remaining, 114.421875 MB of memory in use. ENERGY: 2116800 650.1725 1808.9956 1982.4133 122.1898 -0.3270 -1062.2059 0.0000 0.0000 2725.0486 6226.2869 300.9892 3501.2383 6260.8761 299.9497 PRESSURE: 2117000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2117000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2117000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2117000 0 0 0 0 0 0 0 0 0 TIMING: 2117000 CPU: 8497.36, 0.00394331/step Wall: 8497.36, 0.00394331/step, 0.419524 hours remaining, 114.421875 MB of memory in use. ENERGY: 2117000 635.3351 1854.6566 1968.7452 110.6775 -0.4310 -1101.3177 0.0000 0.0000 2747.2119 6214.8777 303.4372 3467.6657 6249.6420 300.5367 PRESSURE: 2117200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2117200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2117200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2117200 0 0 0 0 0 0 0 0 0 TIMING: 2117200 CPU: 8498.15, 0.00394253/step Wall: 8498.15, 0.00394253/step, 0.419222 hours remaining, 114.421875 MB of memory in use. ENERGY: 2117200 699.8112 1823.4562 1951.5070 108.4613 0.0205 -1108.1807 0.0000 0.0000 2748.4690 6223.5446 303.5761 3475.0756 6255.3931 298.7579 PRESSURE: 2117400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2117400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2117400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2117400 0 0 0 0 0 0 0 0 0 TIMING: 2117400 CPU: 8498.94, 0.00394933/step Wall: 8498.94, 0.00394933/step, 0.419726 hours remaining, 114.421875 MB of memory in use. ENERGY: 2117400 660.2874 1830.2446 1957.5939 119.6186 0.1704 -1087.2718 0.0000 0.0000 2750.5612 6231.2041 303.8071 3480.6430 6264.8402 300.8917 PRESSURE: 2117600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2117600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2117600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2117600 0 0 0 0 0 0 0 0 0 TIMING: 2117600 CPU: 8499.72, 0.00394037/step Wall: 8499.72, 0.00394037/step, 0.418555 hours remaining, 114.421875 MB of memory in use. ENERGY: 2117600 682.6176 1807.0250 1958.9656 92.7031 -0.3587 -1085.8997 0.0000 0.0000 2726.5689 6181.6218 301.1571 3455.0529 6216.4626 301.1352 PRESSURE: 2117800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2117800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2117800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2117800 0 0 0 0 0 0 0 0 0 TIMING: 2117800 CPU: 8500.51, 0.00393815/step Wall: 8500.51, 0.00393815/step, 0.4181 hours remaining, 114.421875 MB of memory in use. ENERGY: 2117800 661.7912 1827.6011 1975.1771 109.7346 -0.2054 -1106.9589 0.0000 0.0000 2710.7714 6177.9112 299.4122 3467.1398 6211.9861 299.1969 PRESSURE: 2118000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2118000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2118000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2118000 0 0 0 0 0 0 0 0 0 TIMING: 2118000 CPU: 8501.3, 0.00393888/step Wall: 8501.3, 0.00393888/step, 0.417959 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2118000 636.6842 1845.8587 1949.7904 105.1074 0.8961 -1075.3416 0.0000 0.0000 2714.6217 6177.6168 299.8375 3462.9951 6209.2832 296.9630 PRESSURE: 2118200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2118200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2118200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2118200 0 0 0 0 0 0 0 0 0 TIMING: 2118200 CPU: 8502.09, 0.00393894/step Wall: 8502.09, 0.00393894/step, 0.417746 hours remaining, 114.421875 MB of memory in use. ENERGY: 2118200 655.8412 1878.9871 1933.9647 99.2566 -1.1442 -1046.1335 0.0000 0.0000 2679.0134 6199.7851 295.9045 3520.7717 6232.3877 297.6220 PRESSURE: 2118400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2118400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2118400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2118400 0 0 0 0 0 0 0 0 0 TIMING: 2118400 CPU: 8502.88, 0.0039379/step Wall: 8502.88, 0.0039379/step, 0.417417 hours remaining, 114.421875 MB of memory in use. ENERGY: 2118400 648.4129 1849.7250 1946.2183 101.8630 -0.8636 -1043.8308 0.0000 0.0000 2758.0600 6259.5848 304.6354 3501.5248 6292.6976 300.0649 PRESSURE: 2118600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2118600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2118600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2118600 0 0 0 0 0 0 0 0 0 TIMING: 2118600 CPU: 8503.66, 0.00393925/step Wall: 8503.66, 0.00393925/step, 0.417342 hours remaining, 114.421875 MB of memory in use. ENERGY: 2118600 670.7973 1865.3846 1970.3290 110.5412 0.8393 -1075.4529 0.0000 0.0000 2754.5569 6296.9956 304.2485 3542.4387 6332.5237 303.2461 PRESSURE: 2118800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2118800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2118800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2118800 0 0 0 0 0 0 0 0 0 TIMING: 2118800 CPU: 8504.45, 0.0039383/step Wall: 8504.45, 0.0039383/step, 0.417022 hours remaining, 114.421875 MB of memory in use. ENERGY: 2118800 662.2439 1858.0270 1949.3735 115.2020 -0.3967 -1056.3345 0.0000 0.0000 2720.0868 6248.2020 300.4412 3528.1152 6281.4908 302.7742 PRESSURE: 2119000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2119000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2119000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2119000 0 0 0 0 0 0 0 0 0 TIMING: 2119000 CPU: 8505.24, 0.00394019/step Wall: 8505.24, 0.00394019/step, 0.417003 hours remaining, 114.421875 MB of memory in use. ENERGY: 2119000 653.4050 1831.2907 1957.6367 106.2921 -0.5636 -1080.4281 0.0000 0.0000 2748.5909 6216.2237 303.5895 3467.6328 6250.4025 300.8446 PRESSURE: 2119200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2119200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2119200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2119200 0 0 0 0 0 0 0 0 0 TIMING: 2119200 CPU: 8506.03, 0.0039614/step Wall: 8506.03, 0.0039614/step, 0.419028 hours remaining, 114.421875 MB of memory in use. ENERGY: 2119200 624.9599 1870.1859 1967.4600 110.8274 0.2851 -1058.1755 0.0000 0.0000 2753.7981 6269.3408 304.1647 3515.5427 6304.3213 300.9810 PRESSURE: 2119400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2119400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2119400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2119400 0 0 0 0 0 0 0 0 0 TIMING: 2119400 CPU: 8506.82, 0.00394449/step Wall: 8506.82, 0.00394449/step, 0.417021 hours remaining, 114.421875 MB of memory in use. ENERGY: 2119400 647.8722 1892.5842 1970.7958 107.9754 1.9322 -1084.5232 0.0000 0.0000 2748.1560 6284.7926 303.5415 3536.6367 6316.3134 301.8630 PRESSURE: 2119600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2119600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2119600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2119600 0 0 0 0 0 0 0 0 0 TIMING: 2119600 CPU: 8507.61, 0.00394157/step Wall: 8507.61, 0.00394157/step, 0.416493 hours remaining, 114.421875 MB of memory in use. ENERGY: 2119600 672.7975 1826.1439 1956.3218 113.3417 0.3363 -1066.4932 0.0000 0.0000 2747.6222 6250.0704 303.4825 3502.4482 6283.9801 302.1387 PRESSURE: 2119800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2119800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2119800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2119800 0 0 0 0 0 0 0 0 0 TIMING: 2119800 CPU: 8508.4, 0.00394066/step Wall: 8508.4, 0.00394066/step, 0.416177 hours remaining, 114.421875 MB of memory in use. ENERGY: 2119800 691.0893 1846.4542 1991.5722 113.4389 -0.4791 -1100.0494 0.0000 0.0000 2729.0971 6271.1231 301.4364 3542.0260 6306.3638 301.3542 PRESSURE: 2120000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2120000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2120000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2120000 0 0 0 0 0 0 0 0 0 TIMING: 2120000 CPU: 8509.19, 0.00394348/step Wall: 8509.19, 0.00394348/step, 0.416257 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2120000 682.4322 1882.2588 1939.7379 112.1905 -0.4340 -1053.4995 0.0000 0.0000 2688.2574 6250.9433 296.9255 3562.6859 6284.4850 300.0857 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2120000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2120000 WRITING COORDINATES TO RESTART FILE AT STEP 2120000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2120000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2120200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2120200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2120200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2120200 0 0 0 0 0 0 0 0 0 TIMING: 2120200 CPU: 8510.04, 0.00427136/step Wall: 8510.04, 0.00427136/step, 0.450628 hours remaining, 114.421875 MB of memory in use. ENERGY: 2120200 653.7356 1894.3525 1933.9975 111.3557 1.0727 -1046.2888 0.0000 0.0000 2693.7095 6241.9347 297.5277 3548.2252 6274.2238 301.0287 LDB: ============= START OF LOAD BALANCING ============== 8513 LDB: ============== END OF LOAD BALANCING =============== 8513 LDB: =============== DONE WITH MIGRATION ================ 8513 LDB: ============= START OF LOAD BALANCING ============== 8513.39 LDB: ============== END OF LOAD BALANCING =============== 8513.39 LDB: =============== DONE WITH MIGRATION ================ 8513.39 PRESSURE: 2120400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2120400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2120400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2120400 0 0 0 0 0 0 0 0 0 TIMING: 2120400 CPU: 8510.83, 0.00394856/step Wall: 8510.83, 0.00394856/step, 0.416354 hours remaining, 114.421875 MB of memory in use. ENERGY: 2120400 631.9322 1904.5130 1949.6206 102.9535 -0.1715 -1045.7000 0.0000 0.0000 2671.8530 6215.0008 295.1136 3543.1477 6247.2833 301.4880 PRESSURE: 2120600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2120600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2120600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2120600 0 0 0 0 0 0 0 0 0 TIMING: 2120600 CPU: 8511.62, 0.00394088/step Wall: 8511.62, 0.00394088/step, 0.415325 hours remaining, 114.421875 MB of memory in use. ENERGY: 2120600 658.2644 1823.8766 1980.3357 101.2907 -1.0465 -1083.7822 0.0000 0.0000 2759.4555 6238.3941 304.7896 3478.9386 6272.7076 300.2362 PRESSURE: 2120800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2120800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2120800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2120800 0 0 0 0 0 0 0 0 0 TIMING: 2120800 CPU: 8512.41, 0.00394128/step Wall: 8512.41, 0.00394128/step, 0.415149 hours remaining, 114.421875 MB of memory in use. ENERGY: 2120800 619.9562 1853.4729 1989.6330 112.5940 0.7032 -1032.3649 0.0000 0.0000 2733.9189 6277.9133 301.9690 3543.9943 6310.8358 301.6065 PRESSURE: 2121000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2121000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2121000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2121000 0 0 0 0 0 0 0 0 0 TIMING: 2121000 CPU: 8513.19, 0.00394162/step Wall: 8513.19, 0.00394162/step, 0.414965 hours remaining, 114.421875 MB of memory in use. ENERGY: 2121000 656.5749 1841.1412 1962.4267 110.6311 -0.4727 -1052.5029 0.0000 0.0000 2741.3922 6259.1905 302.7944 3517.7983 6295.6765 302.0906 PRESSURE: 2121200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2121200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2121200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2121200 0 0 0 0 0 0 0 0 0 TIMING: 2121200 CPU: 8513.98, 0.00394173/step Wall: 8513.98, 0.00394173/step, 0.414757 hours remaining, 114.421875 MB of memory in use. ENERGY: 2121200 638.2338 1854.0172 1977.6288 102.0767 0.4559 -1063.3964 0.0000 0.0000 2747.3521 6256.3681 303.4527 3509.0161 6292.6931 299.8133 PRESSURE: 2121400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2121400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2121400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2121400 0 0 0 0 0 0 0 0 0 TIMING: 2121400 CPU: 8514.77, 0.00394203/step Wall: 8514.77, 0.00394203/step, 0.41457 hours remaining, 114.421875 MB of memory in use. ENERGY: 2121400 676.3563 1845.3982 1974.2066 98.1091 -1.7280 -1068.4781 0.0000 0.0000 2782.1276 6305.9918 307.2937 3523.8643 6341.8799 302.9424 PRESSURE: 2121600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2121600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2121600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2121600 0 0 0 0 0 0 0 0 0 TIMING: 2121600 CPU: 8515.56, 0.00393985/step Wall: 8515.56, 0.00393985/step, 0.414122 hours remaining, 114.421875 MB of memory in use. ENERGY: 2121600 622.8851 1836.0272 1950.3288 100.3595 -0.5544 -1048.4949 0.0000 0.0000 2749.7970 6210.3482 303.7227 3460.5512 6246.0217 300.4650 PRESSURE: 2121800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2121800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2121800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2121800 0 0 0 0 0 0 0 0 0 TIMING: 2121800 CPU: 8516.35, 0.00394246/step Wall: 8516.35, 0.00394246/step, 0.414177 hours remaining, 114.421875 MB of memory in use. ENERGY: 2121800 625.9755 1842.7232 1949.4842 106.5216 -0.8234 -1066.3041 0.0000 0.0000 2766.9634 6224.5404 305.6188 3457.5770 6259.3369 299.0428 PRESSURE: 2122000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2122000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2122000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2122000 0 0 0 0 0 0 0 0 0 TIMING: 2122000 CPU: 8517.14, 0.00394198/step Wall: 8517.14, 0.00394198/step, 0.413907 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2122000 656.0734 1886.6932 1939.9014 110.5782 0.2964 -1085.2416 0.0000 0.0000 2699.4478 6207.7488 298.1615 3508.3010 6240.8663 300.5466 PRESSURE: 2122200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2122200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2122200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2122200 0 0 0 0 0 0 0 0 0 TIMING: 2122200 CPU: 8517.92, 0.00394079/step Wall: 8517.92, 0.00394079/step, 0.413564 hours remaining, 114.421875 MB of memory in use. ENERGY: 2122200 699.5921 1865.7730 1966.2494 116.9453 0.0232 -1075.5952 0.0000 0.0000 2685.1369 6258.1247 296.5809 3572.9878 6288.5445 299.3023 PRESSURE: 2122400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2122400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2122400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2122400 0 0 0 0 0 0 0 0 0 TIMING: 2122400 CPU: 8518.71, 0.0039411/step Wall: 8518.71, 0.0039411/step, 0.413378 hours remaining, 114.421875 MB of memory in use. ENERGY: 2122400 641.4875 1912.8849 1964.3979 98.2449 0.8155 -1093.6241 0.0000 0.0000 2762.4290 6286.6357 305.1180 3524.2067 6323.0051 303.0324 PRESSURE: 2122600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2122600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2122600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2122600 0 0 0 0 0 0 0 0 0 TIMING: 2122600 CPU: 8519.5, 0.00393838/step Wall: 8519.5, 0.00393838/step, 0.412873 hours remaining, 114.421875 MB of memory in use. ENERGY: 2122600 650.1553 1920.7414 1936.6928 110.1338 0.0368 -1045.0895 0.0000 0.0000 2688.1154 6260.7861 296.9098 3572.6707 6292.1741 301.0729 PRESSURE: 2122800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2122800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2122800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2122800 0 0 0 0 0 0 0 0 0 TIMING: 2122800 CPU: 8520.29, 0.00394073/step Wall: 8520.29, 0.00394073/step, 0.412901 hours remaining, 114.421875 MB of memory in use. ENERGY: 2122800 671.3338 1855.9439 1955.4743 122.7496 0.3374 -1091.8633 0.0000 0.0000 2673.4339 6187.4096 295.2882 3513.9757 6222.5478 298.5224 PRESSURE: 2123000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2123000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2123000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2123000 0 0 0 0 0 0 0 0 0 TIMING: 2123000 CPU: 8521.08, 0.00394072/step Wall: 8521.08, 0.00394072/step, 0.412681 hours remaining, 114.421875 MB of memory in use. ENERGY: 2123000 666.1795 1847.6996 1956.1733 110.5501 1.4013 -1072.0448 0.0000 0.0000 2687.3235 6197.2826 296.8224 3509.9591 6229.6861 297.3986 PRESSURE: 2123200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2123200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2123200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2123200 0 0 0 0 0 0 0 0 0 TIMING: 2123200 CPU: 8521.86, 0.00393999/step Wall: 8521.86, 0.00393999/step, 0.412386 hours remaining, 114.421875 MB of memory in use. ENERGY: 2123200 649.9605 1794.3720 1975.4631 97.2230 -0.2114 -1049.4488 0.0000 0.0000 2705.6798 6173.0380 298.8499 3467.3583 6206.4579 296.2100 PRESSURE: 2123400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2123400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2123400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2123400 0 0 0 0 0 0 0 0 0 TIMING: 2123400 CPU: 8522.65, 0.00393793/step Wall: 8522.65, 0.00393793/step, 0.411951 hours remaining, 114.421875 MB of memory in use. ENERGY: 2123400 679.6802 1818.8624 1967.2531 110.8217 0.0509 -1072.5866 0.0000 0.0000 2673.3336 6177.4154 295.2771 3504.0818 6208.7057 297.6857 PRESSURE: 2123600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2123600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2123600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2123600 0 0 0 0 0 0 0 0 0 TIMING: 2123600 CPU: 8523.44, 0.00394197/step Wall: 8523.44, 0.00394197/step, 0.412155 hours remaining, 114.421875 MB of memory in use. ENERGY: 2123600 638.3599 1789.8484 1933.3279 111.5704 0.4402 -1082.6584 0.0000 0.0000 2710.0991 6100.9874 299.3380 3390.8884 6133.4605 295.4116 PRESSURE: 2123800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2123800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2123800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2123800 0 0 0 0 0 0 0 0 0 TIMING: 2123800 CPU: 8524.23, 0.00394139/step Wall: 8524.23, 0.00394139/step, 0.411875 hours remaining, 114.421875 MB of memory in use. ENERGY: 2123800 642.9773 1797.0507 1965.3377 114.6419 0.2957 -1112.0621 0.0000 0.0000 2653.9523 6062.1935 293.1364 3408.2412 6094.9153 293.0316 PRESSURE: 2124000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2124000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2124000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2124000 0 0 0 0 0 0 0 0 0 TIMING: 2124000 CPU: 8525.02, 0.00393963/step Wall: 8525.02, 0.00393963/step, 0.411472 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2124000 644.0585 1825.5986 1947.4573 113.5412 1.1372 -1090.2758 0.0000 0.0000 2662.2768 6103.7938 294.0559 3441.5170 6137.8604 292.0584 PRESSURE: 2124200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2124200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2124200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2124200 0 0 0 0 0 0 0 0 0 TIMING: 2124200 CPU: 8525.8, 0.00394055/step Wall: 8525.8, 0.00394055/step, 0.411349 hours remaining, 114.421875 MB of memory in use. ENERGY: 2124200 625.5535 1843.9474 1992.7812 100.8960 1.0223 -1100.3215 0.0000 0.0000 2702.7764 6166.6553 298.5292 3463.8789 6200.2317 295.8226 LDB: ============= START OF LOAD BALANCING ============== 8528.76 LDB: ============== END OF LOAD BALANCING =============== 8528.76 LDB: =============== DONE WITH MIGRATION ================ 8528.76 LDB: ============= START OF LOAD BALANCING ============== 8529.16 LDB: ============== END OF LOAD BALANCING =============== 8529.16 LDB: =============== DONE WITH MIGRATION ================ 8529.16 PRESSURE: 2124400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2124400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2124400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2124400 0 0 0 0 0 0 0 0 0 TIMING: 2124400 CPU: 8526.59, 0.00394197/step Wall: 8526.59, 0.00394197/step, 0.411279 hours remaining, 114.421875 MB of memory in use. ENERGY: 2124400 640.5856 1791.7286 1984.3671 105.9999 0.8935 -1057.4943 0.0000 0.0000 2718.5406 6184.6209 300.2704 3466.0803 6217.1406 298.3654 PRESSURE: 2124600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2124600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2124600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2124600 0 0 0 0 0 0 0 0 0 TIMING: 2124600 CPU: 8527.38, 0.00393974/step Wall: 8527.38, 0.00393974/step, 0.410827 hours remaining, 114.421875 MB of memory in use. ENERGY: 2124600 663.6835 1804.3956 1973.7273 100.1089 0.4075 -1030.2316 0.0000 0.0000 2647.4444 6159.5357 292.4176 3512.0913 6189.3734 297.2112 PRESSURE: 2124800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2124800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2124800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2124800 0 0 0 0 0 0 0 0 0 TIMING: 2124800 CPU: 8528.17, 0.00394055/step Wall: 8528.17, 0.00394055/step, 0.410692 hours remaining, 114.421875 MB of memory in use. ENERGY: 2124800 647.1014 1826.7328 1947.3191 117.0300 0.6354 -1069.7132 0.0000 0.0000 2742.4903 6211.5958 302.9157 3469.1055 6244.2126 296.9501 PRESSURE: 2125000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2125000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2125000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2125000 0 0 0 0 0 0 0 0 0 TIMING: 2125000 CPU: 8528.96, 0.0039405/step Wall: 8528.96, 0.0039405/step, 0.410469 hours remaining, 114.421875 MB of memory in use. ENERGY: 2125000 671.0107 1901.8281 1955.4920 109.0675 -0.4567 -1077.4840 0.0000 0.0000 2724.5350 6283.9926 300.9325 3559.4575 6318.8231 301.4658 PRESSURE: 2125200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2125200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2125200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2125200 0 0 0 0 0 0 0 0 0 TIMING: 2125200 CPU: 8529.75, 0.00394238/step Wall: 8529.75, 0.00394238/step, 0.410446 hours remaining, 114.421875 MB of memory in use. ENERGY: 2125200 671.7370 1851.9057 1979.3408 108.0339 -0.4276 -1053.0593 0.0000 0.0000 2742.4367 6299.9673 302.9098 3557.5306 6333.5776 303.5305 PRESSURE: 2125400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2125400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2125400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2125400 0 0 0 0 0 0 0 0 0 TIMING: 2125400 CPU: 8530.53, 0.00393792/step Wall: 8530.53, 0.00393792/step, 0.409762 hours remaining, 114.421875 MB of memory in use. ENERGY: 2125400 666.3001 1808.2195 1992.5834 114.7921 0.2169 -1055.1327 0.0000 0.0000 2748.8763 6275.8557 303.6210 3526.9794 6309.1206 303.4896 PRESSURE: 2125600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2125600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2125600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2125600 0 0 0 0 0 0 0 0 0 TIMING: 2125600 CPU: 8531.32, 0.00394118/step Wall: 8531.32, 0.00394118/step, 0.409883 hours remaining, 114.421875 MB of memory in use. ENERGY: 2125600 666.6794 1871.1645 1981.1015 116.4412 -0.1686 -1080.1891 0.0000 0.0000 2728.1329 6283.1618 301.3299 3555.0289 6319.5308 303.5660 PRESSURE: 2125800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2125800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2125800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2125800 0 0 0 0 0 0 0 0 0 TIMING: 2125800 CPU: 8532.11, 0.00394224/step Wall: 8532.11, 0.00394224/step, 0.409774 hours remaining, 114.421875 MB of memory in use. ENERGY: 2125800 674.2445 1868.5917 1972.5868 116.1826 0.1567 -1093.5789 0.0000 0.0000 2785.4467 6323.6301 307.6603 3538.1834 6357.9160 304.4372 PRESSURE: 2126000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2126000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2126000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2126000 0 0 0 0 0 0 0 0 0 TIMING: 2126000 CPU: 8532.9, 0.00393897/step Wall: 8532.9, 0.00393897/step, 0.409215 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2126000 677.4952 1866.7629 1944.7641 107.1378 0.3881 -1072.6563 0.0000 0.0000 2788.4724 6312.3640 307.9945 3523.8917 6350.1742 305.2097 PRESSURE: 2126200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2126200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2126200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2126200 0 0 0 0 0 0 0 0 0 TIMING: 2126200 CPU: 8533.68, 0.00393581/step Wall: 8533.68, 0.00393581/step, 0.408668 hours remaining, 114.421875 MB of memory in use. ENERGY: 2126200 664.8049 1888.0661 1933.4817 106.1445 0.0848 -1081.8959 0.0000 0.0000 2743.8543 6254.5403 303.0663 3510.6861 6289.2176 305.1295 PRESSURE: 2126400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2126400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2126400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2126400 0 0 0 0 0 0 0 0 0 TIMING: 2126400 CPU: 8534.47, 0.00393949/step Wall: 8534.47, 0.00393949/step, 0.408831 hours remaining, 114.421875 MB of memory in use. ENERGY: 2126400 690.6585 1830.1405 1956.8775 96.4376 1.8913 -1055.7334 0.0000 0.0000 2714.5163 6234.7882 299.8259 3520.2719 6267.6773 300.2582 PRESSURE: 2126600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2126600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2126600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2126600 0 0 0 0 0 0 0 0 0 TIMING: 2126600 CPU: 8535.26, 0.00394222/step Wall: 8535.26, 0.00394222/step, 0.408896 hours remaining, 114.421875 MB of memory in use. ENERGY: 2126600 660.6641 1856.2413 1968.8160 100.0328 2.6312 -1055.4601 0.0000 0.0000 2710.2858 6243.2112 299.3586 3532.9254 6278.1810 300.3312 PRESSURE: 2126800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2126800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2126800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2126800 0 0 0 0 0 0 0 0 0 TIMING: 2126800 CPU: 8536.05, 0.00394047/step Wall: 8536.05, 0.00394047/step, 0.408495 hours remaining, 114.421875 MB of memory in use. ENERGY: 2126800 640.8625 1841.1826 1943.9177 106.4213 0.3412 -1069.3702 0.0000 0.0000 2743.4192 6206.7743 303.0183 3463.3551 6240.1538 302.9562 PRESSURE: 2127000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2127000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2127000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2127000 0 0 0 0 0 0 0 0 0 TIMING: 2127000 CPU: 8536.84, 0.00394146/step Wall: 8536.84, 0.00394146/step, 0.408379 hours remaining, 114.421875 MB of memory in use. ENERGY: 2127000 647.2724 1850.6556 1965.4657 102.6499 2.5843 -1097.8443 0.0000 0.0000 2761.2655 6232.0491 304.9895 3470.7836 6265.5419 301.0801 PRESSURE: 2127200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2127200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2127200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2127200 0 0 0 0 0 0 0 0 0 TIMING: 2127200 CPU: 8537.62, 0.00393724/step Wall: 8537.62, 0.00393724/step, 0.407723 hours remaining, 114.421875 MB of memory in use. ENERGY: 2127200 697.3206 1819.1199 1949.3237 103.6492 1.4614 -1102.4821 0.0000 0.0000 2804.6996 6273.0924 309.7869 3468.3927 6308.0213 302.5835 PRESSURE: 2127400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2127400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2127400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2127400 0 0 0 0 0 0 0 0 0 TIMING: 2127400 CPU: 8538.41, 0.00393994/step Wall: 8538.41, 0.00393994/step, 0.407784 hours remaining, 114.421875 MB of memory in use. ENERGY: 2127400 647.8036 1810.8338 2014.4190 104.5923 2.3826 -1071.3866 0.0000 0.0000 2800.5781 6309.2228 309.3316 3508.6447 6344.3163 303.6185 PRESSURE: 2127600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2127600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2127600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2127600 0 0 0 0 0 0 0 0 0 TIMING: 2127600 CPU: 8539.2, 0.00395042/step Wall: 8539.2, 0.00395042/step, 0.408649 hours remaining, 114.421875 MB of memory in use. ENERGY: 2127600 683.1366 1811.4390 1961.3549 108.8823 1.5698 -1061.1269 0.0000 0.0000 2783.8951 6289.1508 307.4890 3505.2557 6323.8720 304.2607 PRESSURE: 2127800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2127800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2127800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2127800 0 0 0 0 0 0 0 0 0 TIMING: 2127800 CPU: 8539.99, 0.00394002/step Wall: 8539.99, 0.00394002/step, 0.407354 hours remaining, 114.421875 MB of memory in use. ENERGY: 2127800 711.6434 1801.3861 1971.4758 108.1842 0.6571 -1075.9009 0.0000 0.0000 2743.0251 6260.4708 302.9748 3517.4457 6292.9974 302.8723 PRESSURE: 2128000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2128000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2128000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2128000 0 0 0 0 0 0 0 0 0 TIMING: 2128000 CPU: 8540.78, 0.00393964/step Wall: 8540.78, 0.00393964/step, 0.407096 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2128000 662.8544 1801.3791 1975.0840 96.2513 1.6930 -1072.0754 0.0000 0.0000 2815.7656 6280.9520 311.0092 3465.1864 6316.4648 303.1189 PRESSURE: 2128200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2128200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2128200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2128200 0 0 0 0 0 0 0 0 0 TIMING: 2128200 CPU: 8541.57, 0.00393852/step Wall: 8541.57, 0.00393852/step, 0.406762 hours remaining, 114.421875 MB of memory in use. ENERGY: 2128200 666.9575 1875.6630 1972.3240 118.4683 1.2597 -1083.6595 0.0000 0.0000 2727.3842 6278.3972 301.2472 3551.0130 6310.6151 304.1581 LDB: ============= START OF LOAD BALANCING ============== 8544.53 LDB: ============== END OF LOAD BALANCING =============== 8544.53 LDB: =============== DONE WITH MIGRATION ================ 8544.53 LDB: ============= START OF LOAD BALANCING ============== 8544.92 LDB: ============== END OF LOAD BALANCING =============== 8544.92 LDB: =============== DONE WITH MIGRATION ================ 8544.92 PRESSURE: 2128400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2128400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2128400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2128400 0 0 0 0 0 0 0 0 0 TIMING: 2128400 CPU: 8542.36, 0.00394501/step Wall: 8542.36, 0.00394501/step, 0.407213 hours remaining, 114.421875 MB of memory in use. ENERGY: 2128400 648.0707 1865.0709 1950.7506 113.2625 1.0988 -1050.4152 0.0000 0.0000 2717.4791 6245.3174 300.1531 3527.8383 6278.6004 302.0518 PRESSURE: 2128600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2128600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2128600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2128600 0 0 0 0 0 0 0 0 0 TIMING: 2128600 CPU: 8543.14, 0.00394089/step Wall: 8543.14, 0.00394089/step, 0.406569 hours remaining, 114.421875 MB of memory in use. ENERGY: 2128600 633.0397 1865.2623 1944.9914 109.3414 0.2960 -1015.1781 0.0000 0.0000 2689.3660 6227.1188 297.0480 3537.7528 6261.6532 300.9800 PRESSURE: 2128800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2128800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2128800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2128800 0 0 0 0 0 0 0 0 0 TIMING: 2128800 CPU: 8543.93, 0.00394042/step Wall: 8543.93, 0.00394042/step, 0.406301 hours remaining, 114.421875 MB of memory in use. ENERGY: 2128800 638.1652 1842.1150 1944.2946 102.0477 -0.5036 -1070.0535 0.0000 0.0000 2767.1746 6223.2400 305.6421 3456.0654 6258.5401 300.8489 PRESSURE: 2129000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2129000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2129000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2129000 0 0 0 0 0 0 0 0 0 TIMING: 2129000 CPU: 8544.72, 0.00393911/step Wall: 8544.72, 0.00393911/step, 0.405947 hours remaining, 114.421875 MB of memory in use. ENERGY: 2129000 679.7981 1824.5645 1931.5024 109.2839 1.0469 -1057.7644 0.0000 0.0000 2729.7115 6218.1429 301.5042 3488.4315 6251.1843 300.4807 PRESSURE: 2129200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2129200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2129200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2129200 0 0 0 0 0 0 0 0 0 TIMING: 2129200 CPU: 8545.51, 0.00393917/step Wall: 8545.51, 0.00393917/step, 0.405734 hours remaining, 114.421875 MB of memory in use. ENERGY: 2129200 647.4070 1820.1767 1951.1265 118.3800 1.0140 -1051.5897 0.0000 0.0000 2695.9770 6182.4916 297.7782 3486.5145 6216.5115 299.3904 PRESSURE: 2129400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2129400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2129400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2129400 0 0 0 0 0 0 0 0 0 TIMING: 2129400 CPU: 8546.3, 0.0039428/step Wall: 8546.3, 0.0039428/step, 0.405889 hours remaining, 114.421875 MB of memory in use. ENERGY: 2129400 661.2035 1839.6604 1951.4198 110.1718 1.0642 -1072.2211 0.0000 0.0000 2698.6438 6189.9424 298.0727 3491.2986 6224.0436 296.7093 PRESSURE: 2129600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2129600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2129600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2129600 0 0 0 0 0 0 0 0 0 TIMING: 2129600 CPU: 8547.08, 0.00394284/step Wall: 8547.08, 0.00394283/step, 0.405673 hours remaining, 114.421875 MB of memory in use. ENERGY: 2129600 611.1731 1828.7186 1960.3577 106.0964 0.0624 -1067.0148 0.0000 0.0000 2737.8645 6177.2579 302.4048 3439.3933 6212.0382 298.7442 PRESSURE: 2129800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2129800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2129800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2129800 0 0 0 0 0 0 0 0 0 TIMING: 2129800 CPU: 8547.87, 0.00394176/step Wall: 8547.87, 0.00394176/step, 0.405345 hours remaining, 114.421875 MB of memory in use. ENERGY: 2129800 660.5546 1827.9167 1966.9612 110.9520 1.3198 -1057.1906 0.0000 0.0000 2713.2053 6223.7189 299.6811 3510.5136 6258.2774 298.7069 PRESSURE: 2130000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2130000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2130000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2130000 0 0 0 0 0 0 0 0 0 TIMING: 2130000 CPU: 8548.66, 0.00393783/step Wall: 8548.66, 0.00393783/step, 0.404721 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2130000 629.1286 1846.9671 1963.1471 105.0431 1.9769 -1065.8495 0.0000 0.0000 2775.3137 6255.7270 306.5411 3480.4133 6289.7776 299.6869 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2130000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2130000 WRITING COORDINATES TO RESTART FILE AT STEP 2130000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2130000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2130200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2130200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2130200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2130200 0 0 0 0 0 0 0 0 0 TIMING: 2130200 CPU: 8549.68, 0.00509036/step Wall: 8549.68, 0.00509036/step, 0.522893 hours remaining, 114.421875 MB of memory in use. ENERGY: 2130200 688.4731 1890.4942 1957.5208 102.5502 0.7867 -1087.3934 0.0000 0.0000 2750.0592 6302.4908 303.7517 3552.4316 6336.2669 303.7793 PRESSURE: 2130400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2130400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2130400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2130400 0 0 0 0 0 0 0 0 0 TIMING: 2130400 CPU: 8550.47, 0.00394426/step Wall: 8550.47, 0.00394426/step, 0.404945 hours remaining, 114.421875 MB of memory in use. ENERGY: 2130400 646.1440 1875.6161 1978.6549 121.2139 0.3907 -1090.0178 0.0000 0.0000 2698.1295 6230.1312 298.0159 3532.0018 6261.8433 303.5584 PRESSURE: 2130600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2130600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2130600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2130600 0 0 0 0 0 0 0 0 0 TIMING: 2130600 CPU: 8551.26, 0.00394308/step Wall: 8551.26, 0.00394308/step, 0.404604 hours remaining, 114.421875 MB of memory in use. ENERGY: 2130600 667.8247 1878.7986 1965.4989 101.0757 1.0048 -1089.1122 0.0000 0.0000 2676.0267 6201.1172 295.5746 3525.0905 6234.0830 298.5592 PRESSURE: 2130800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2130800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2130800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2130800 0 0 0 0 0 0 0 0 0 TIMING: 2130800 CPU: 8552.04, 0.003944/step Wall: 8552.04, 0.003944/step, 0.404479 hours remaining, 114.421875 MB of memory in use. ENERGY: 2130800 658.6310 1859.5338 1985.3129 115.4827 -0.5999 -1112.6378 0.0000 0.0000 2693.1435 6198.8663 297.4652 3505.7228 6234.5483 300.3591 PRESSURE: 2131000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2131000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2131000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2131000 0 0 0 0 0 0 0 0 0 TIMING: 2131000 CPU: 8552.83, 0.00394333/step Wall: 8552.83, 0.00394333/step, 0.404191 hours remaining, 114.421875 MB of memory in use. ENERGY: 2131000 663.1990 1801.0250 2002.5353 109.8005 1.3731 -1147.4333 0.0000 0.0000 2744.8239 6175.3235 303.1735 3430.4995 6209.7909 299.7262 PRESSURE: 2131200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2131200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2131200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2131200 0 0 0 0 0 0 0 0 0 TIMING: 2131200 CPU: 8553.62, 0.00393844/step Wall: 8553.62, 0.00393844/step, 0.403471 hours remaining, 114.421875 MB of memory in use. ENERGY: 2131200 616.3484 1814.1709 1984.1982 111.3707 2.6526 -1116.2120 0.0000 0.0000 2763.3123 6175.8410 305.2155 3412.5288 6210.1969 299.0836 PRESSURE: 2131400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2131400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2131400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2131400 0 0 0 0 0 0 0 0 0 TIMING: 2131400 CPU: 8554.41, 0.00394158/step Wall: 8554.41, 0.00394158/step, 0.403574 hours remaining, 114.421875 MB of memory in use. ENERGY: 2131400 662.8184 1890.3491 1956.9766 117.9222 0.2049 -1088.0344 0.0000 0.0000 2652.7622 6192.9990 293.0050 3540.2368 6224.8238 296.9771 PRESSURE: 2131600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2131600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2131600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2131600 0 0 0 0 0 0 0 0 0 TIMING: 2131600 CPU: 8555.2, 0.00394158/step Wall: 8555.2, 0.00394158/step, 0.403356 hours remaining, 114.421875 MB of memory in use. ENERGY: 2131600 652.5301 1878.1849 1943.9048 114.9948 1.6964 -1115.1276 0.0000 0.0000 2703.4477 6179.6310 298.6033 3476.1833 6212.2770 296.6805 PRESSURE: 2131800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2131800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2131800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2131800 0 0 0 0 0 0 0 0 0 TIMING: 2131800 CPU: 8555.99, 0.00394154/step Wall: 8555.99, 0.00394154/step, 0.403132 hours remaining, 114.421875 MB of memory in use. ENERGY: 2131800 640.2192 1836.6192 1973.6748 116.7505 1.1433 -1092.4256 0.0000 0.0000 2739.4238 6215.4052 302.5770 3475.9814 6249.9073 299.3204 PRESSURE: 2132000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2132000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2132000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2132000 0 0 0 0 0 0 0 0 0 TIMING: 2132000 CPU: 8556.77, 0.00394185/step Wall: 8556.77, 0.00394185/step, 0.402945 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2132000 671.6004 1846.3866 1949.0590 101.7470 2.3621 -1044.1858 0.0000 0.0000 2713.1231 6240.0923 299.6720 3526.9692 6273.2511 300.1048 PRESSURE: 2132200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2132200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2132200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2132200 0 0 0 0 0 0 0 0 0 TIMING: 2132200 CPU: 8557.56, 0.00393706/step Wall: 8557.56, 0.00393706/step, 0.402237 hours remaining, 114.421875 MB of memory in use. ENERGY: 2132200 674.9287 1856.7408 1954.6716 99.3604 1.6243 -1093.5587 0.0000 0.0000 2728.6228 6222.3898 301.3840 3493.7671 6257.6335 299.8020 LDB: ============= START OF LOAD BALANCING ============== 8560.52 LDB: ============== END OF LOAD BALANCING =============== 8560.52 LDB: =============== DONE WITH MIGRATION ================ 8560.52 LDB: ============= START OF LOAD BALANCING ============== 8560.92 LDB: ============== END OF LOAD BALANCING =============== 8560.92 LDB: =============== DONE WITH MIGRATION ================ 8560.92 PRESSURE: 2132400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2132400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2132400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2132400 0 0 0 0 0 0 0 0 0 TIMING: 2132400 CPU: 8558.35, 0.0039468/step Wall: 8558.35, 0.0039468/step, 0.403012 hours remaining, 114.421875 MB of memory in use. ENERGY: 2132400 672.9377 1792.8022 1947.3291 102.8218 0.8245 -1032.5704 0.0000 0.0000 2732.7344 6216.8793 301.8381 3484.1449 6253.3727 298.6253 PRESSURE: 2132600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2132600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2132600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2132600 0 0 0 0 0 0 0 0 0 TIMING: 2132600 CPU: 8559.14, 0.00394361/step Wall: 8559.14, 0.00394361/step, 0.402467 hours remaining, 114.421875 MB of memory in use. ENERGY: 2132600 672.0701 1825.0048 2000.3005 112.2640 0.3441 -1078.5196 0.0000 0.0000 2655.4083 6186.8723 293.2972 3531.4640 6221.9794 298.8297 PRESSURE: 2132800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2132800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2132800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2132800 0 0 0 0 0 0 0 0 0 TIMING: 2132800 CPU: 8559.93, 0.00394169/step Wall: 8559.93, 0.00394169/step, 0.402052 hours remaining, 114.421875 MB of memory in use. ENERGY: 2132800 645.1909 1866.5889 1967.2193 105.1587 0.9148 -1046.1972 0.0000 0.0000 2642.9288 6181.8042 291.9188 3538.8754 6213.8220 298.8272 PRESSURE: 2133000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2133000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2133000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2133000 0 0 0 0 0 0 0 0 0 TIMING: 2133000 CPU: 8560.72, 0.00393796/step Wall: 8560.72, 0.00393796/step, 0.401454 hours remaining, 114.421875 MB of memory in use. ENERGY: 2133000 640.7473 1901.7874 1957.5988 106.8055 2.2393 -1095.5311 0.0000 0.0000 2678.3003 6191.9476 295.8257 3513.6473 6224.0792 299.1744 PRESSURE: 2133200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2133200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2133200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2133200 0 0 0 0 0 0 0 0 0 TIMING: 2133200 CPU: 8561.5, 0.00394365/step Wall: 8561.5, 0.00394365/step, 0.401814 hours remaining, 114.421875 MB of memory in use. ENERGY: 2133200 656.1045 1847.5520 1963.6587 107.4413 2.8243 -1080.8195 0.0000 0.0000 2683.6660 6180.4273 296.4184 3496.7613 6215.3732 297.2952 PRESSURE: 2133400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2133400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2133400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2133400 0 0 0 0 0 0 0 0 0 TIMING: 2133400 CPU: 8562.29, 0.00394086/step Wall: 8562.29, 0.00394086/step, 0.401311 hours remaining, 114.421875 MB of memory in use. ENERGY: 2133400 659.3290 1836.1049 1977.5766 110.4832 2.0033 -1093.1438 0.0000 0.0000 2781.7997 6274.1528 307.2575 3492.3531 6309.0782 300.1049 PRESSURE: 2133600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2133600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2133600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2133600 0 0 0 0 0 0 0 0 0 TIMING: 2133600 CPU: 8563.08, 0.00394273/step Wall: 8563.08, 0.00394273/step, 0.401282 hours remaining, 114.421875 MB of memory in use. ENERGY: 2133600 677.0845 1855.8745 1929.6810 105.2935 2.6430 -1112.9218 0.0000 0.0000 2778.6187 6236.2735 306.9062 3457.6547 6269.6049 302.2922 PRESSURE: 2133800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2133800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2133800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2133800 0 0 0 0 0 0 0 0 0 TIMING: 2133800 CPU: 8563.87, 0.00396396/step Wall: 8563.87, 0.00396396/step, 0.403223 hours remaining, 114.421875 MB of memory in use. ENERGY: 2133800 686.6826 1821.6073 1968.5804 123.5939 1.7585 -1093.2014 0.0000 0.0000 2709.1152 6218.1365 299.2293 3509.0213 6251.8058 301.2854 PRESSURE: 2134000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2134000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2134000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2134000 0 0 0 0 0 0 0 0 0 TIMING: 2134000 CPU: 8564.66, 0.0039539/step Wall: 8564.66, 0.0039539/step, 0.40198 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2134000 670.4729 1893.5992 1992.4201 103.0942 -0.4873 -1083.7522 0.0000 0.0000 2620.5711 6195.9180 289.4494 3575.3469 6226.4464 298.3661 PRESSURE: 2134200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2134200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2134200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2134200 0 0 0 0 0 0 0 0 0 TIMING: 2134200 CPU: 8565.46, 0.00395589/step Wall: 8565.46, 0.00395589/step, 0.401962 hours remaining, 114.421875 MB of memory in use. ENERGY: 2134200 653.9851 1816.2996 1951.2616 113.6877 -0.0797 -1060.2739 0.0000 0.0000 2686.4898 6161.3701 296.7303 3474.8803 6196.9264 296.1730 PRESSURE: 2134400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2134400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2134400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2134400 0 0 0 0 0 0 0 0 0 TIMING: 2134400 CPU: 8566.25, 0.00395808/step Wall: 8566.25, 0.00395808/step, 0.401965 hours remaining, 114.421875 MB of memory in use. ENERGY: 2134400 710.5507 1844.7738 1964.5777 102.1381 0.2615 -1087.3050 0.0000 0.0000 2688.7366 6223.7334 296.9785 3534.9968 6253.3107 297.4154 PRESSURE: 2134600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2134600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2134600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2134600 0 0 0 0 0 0 0 0 0 TIMING: 2134600 CPU: 8567.04, 0.00394955/step Wall: 8567.04, 0.00394955/step, 0.400879 hours remaining, 114.421875 MB of memory in use. ENERGY: 2134600 656.7873 1887.6287 1954.3804 114.4580 0.0513 -1037.8502 0.0000 0.0000 2705.0560 6280.5116 298.7810 3575.4556 6315.3991 302.0128 PRESSURE: 2134800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2134800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2134800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2134800 0 0 0 0 0 0 0 0 0 TIMING: 2134800 CPU: 8567.83, 0.00394446/step Wall: 8567.83, 0.00394446/step, 0.400144 hours remaining, 114.421875 MB of memory in use. ENERGY: 2134800 632.0565 1851.8940 1956.9541 103.6090 0.8373 -1028.5085 0.0000 0.0000 2792.9219 6309.7643 308.4860 3516.8425 6346.6905 303.5243 PRESSURE: 2135000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2135000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2135000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2135000 0 0 0 0 0 0 0 0 0 TIMING: 2135000 CPU: 8568.61, 0.00393901/step Wall: 8568.61, 0.00393901/step, 0.399372 hours remaining, 114.421875 MB of memory in use. ENERGY: 2135000 666.9944 1926.9486 1964.1957 105.5508 1.3294 -1064.8777 0.0000 0.0000 2752.1303 6352.2715 303.9805 3600.1412 6385.8464 305.8675 PRESSURE: 2135200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2135200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2135200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2135200 0 0 0 0 0 0 0 0 0 TIMING: 2135200 CPU: 8569.4, 0.00394535/step Wall: 8569.4, 0.00394535/step, 0.399795 hours remaining, 114.421875 MB of memory in use. ENERGY: 2135200 688.7173 1900.0047 1937.1204 127.7036 -0.5876 -1049.5926 0.0000 0.0000 2736.1111 6339.4770 302.2111 3603.3659 6370.4303 306.1191 PRESSURE: 2135400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2135400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2135400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2135400 0 0 0 0 0 0 0 0 0 TIMING: 2135400 CPU: 8570.19, 0.00394471/step Wall: 8570.19, 0.00394471/step, 0.399512 hours remaining, 114.421875 MB of memory in use. ENERGY: 2135400 651.5586 1888.0557 1948.3017 107.0568 0.2849 -1052.9204 0.0000 0.0000 2822.0464 6364.3836 311.7029 3542.3372 6400.0872 306.2370 PRESSURE: 2135600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2135600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2135600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2135600 0 0 0 0 0 0 0 0 0 TIMING: 2135600 CPU: 8570.98, 0.00394493/step Wall: 8570.98, 0.00394493/step, 0.399315 hours remaining, 114.421875 MB of memory in use. ENERGY: 2135600 686.0130 1871.5720 1953.9190 114.6581 1.9346 -1028.9250 0.0000 0.0000 2752.1825 6351.3543 303.9862 3599.1718 6383.2333 306.2068 PRESSURE: 2135800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2135800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2135800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2135800 0 0 0 0 0 0 0 0 0 TIMING: 2135800 CPU: 8571.77, 0.0039424/step Wall: 8571.77, 0.0039424/step, 0.39884 hours remaining, 114.421875 MB of memory in use. ENERGY: 2135800 665.5204 1818.3624 1947.3112 123.5620 0.7458 -1022.7191 0.0000 0.0000 2786.3138 6319.0966 307.7561 3532.7828 6353.6892 306.6796 PRESSURE: 2136000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2136000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2136000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2136000 0 0 0 0 0 0 0 0 0 TIMING: 2136000 CPU: 8572.56, 0.00393815/step Wall: 8572.56, 0.00393815/step, 0.39819 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2136000 651.2180 1873.3597 1961.5361 115.0827 0.2089 -1029.0917 0.0000 0.0000 2721.0144 6293.3281 300.5436 3572.3137 6325.6607 303.3572 PRESSURE: 2136200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2136200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2136200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2136200 0 0 0 0 0 0 0 0 0 TIMING: 2136200 CPU: 8573.35, 0.00394418/step Wall: 8573.35, 0.00394418/step, 0.398581 hours remaining, 114.421875 MB of memory in use. ENERGY: 2136200 652.9417 1833.3905 1923.6891 101.0128 0.2074 -1040.2616 0.0000 0.0000 2743.6174 6214.5974 303.0402 3470.9800 6246.0591 300.8838 LDB: ============= START OF LOAD BALANCING ============== 8576.3 LDB: ============== END OF LOAD BALANCING =============== 8576.3 LDB: =============== DONE WITH MIGRATION ================ 8576.3 LDB: ============= START OF LOAD BALANCING ============== 8576.7 LDB: ============== END OF LOAD BALANCING =============== 8576.7 LDB: =============== DONE WITH MIGRATION ================ 8576.7 PRESSURE: 2136400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2136400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2136400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2136400 0 0 0 0 0 0 0 0 0 TIMING: 2136400 CPU: 8574.14, 0.00394745/step Wall: 8574.14, 0.00394745/step, 0.398693 hours remaining, 114.421875 MB of memory in use. ENERGY: 2136400 669.7429 1852.3553 1943.6606 107.4525 0.1149 -1044.8019 0.0000 0.0000 2709.1000 6237.6243 299.2276 3528.5243 6270.6250 299.2932 PRESSURE: 2136600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2136600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2136600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2136600 0 0 0 0 0 0 0 0 0 TIMING: 2136600 CPU: 8574.92, 0.0039427/step Wall: 8574.92, 0.0039427/step, 0.397994 hours remaining, 114.421875 MB of memory in use. ENERGY: 2136600 646.6933 1861.7987 1930.0547 116.8574 0.8216 -1049.2904 0.0000 0.0000 2704.8568 6211.7921 298.7590 3506.9353 6243.9122 298.6292 PRESSURE: 2136800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2136800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2136800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2136800 0 0 0 0 0 0 0 0 0 TIMING: 2136800 CPU: 8575.71, 0.00393935/step Wall: 8575.71, 0.00393935/step, 0.397436 hours remaining, 114.421875 MB of memory in use. ENERGY: 2136800 678.1402 1813.6939 1949.3009 107.4932 0.9007 -1065.3204 0.0000 0.0000 2687.1167 6171.3251 296.7995 3484.2084 6205.1971 297.5730 PRESSURE: 2137000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2137000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2137000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2137000 0 0 0 0 0 0 0 0 0 TIMING: 2137000 CPU: 8576.5, 0.00394305/step Wall: 8576.5, 0.00394304/step, 0.39759 hours remaining, 114.421875 MB of memory in use. ENERGY: 2137000 680.8228 1864.1380 1941.7740 111.9327 0.7550 -1083.0700 0.0000 0.0000 2688.1747 6204.5274 296.9164 3516.3526 6237.3217 298.8348 PRESSURE: 2137200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2137200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2137200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2137200 0 0 0 0 0 0 0 0 0 TIMING: 2137200 CPU: 8577.29, 0.00394441/step Wall: 8577.29, 0.00394442/step, 0.39751 hours remaining, 114.421875 MB of memory in use. ENERGY: 2137200 641.8199 1823.3226 1960.7247 115.3575 1.4055 -1036.1233 0.0000 0.0000 2698.3844 6204.8914 298.0441 3506.5069 6238.3162 299.9113 PRESSURE: 2137400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2137400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2137400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2137400 0 0 0 0 0 0 0 0 0 TIMING: 2137400 CPU: 8578.08, 0.00394205/step Wall: 8578.08, 0.00394205/step, 0.397052 hours remaining, 114.421875 MB of memory in use. ENERGY: 2137400 626.3483 1826.7040 1960.7902 110.6334 1.2500 -1091.9659 0.0000 0.0000 2707.2937 6141.0536 299.0281 3433.7599 6174.9705 297.2652 PRESSURE: 2137600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2137600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2137600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2137600 0 0 0 0 0 0 0 0 0 TIMING: 2137600 CPU: 8578.87, 0.00394661/step Wall: 8578.87, 0.0039466/step, 0.397292 hours remaining, 114.421875 MB of memory in use. ENERGY: 2137600 617.4493 1825.3136 1974.8735 86.4098 1.3436 -1067.2485 0.0000 0.0000 2739.3792 6177.5206 302.5721 3438.1414 6213.4326 297.4759 PRESSURE: 2137800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2137800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2137800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2137800 0 0 0 0 0 0 0 0 0 TIMING: 2137800 CPU: 8579.65, 0.00393673/step Wall: 8579.65, 0.00393674/step, 0.396079 hours remaining, 114.421875 MB of memory in use. ENERGY: 2137800 668.5626 1872.7445 1968.9391 111.7958 1.7403 -1071.9602 0.0000 0.0000 2638.8918 6190.7138 291.4730 3551.8220 6223.4159 299.0336 PRESSURE: 2138000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2138000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2138000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2138000 0 0 0 0 0 0 0 0 0 TIMING: 2138000 CPU: 8580.44, 0.00394037/step Wall: 8580.44, 0.00394037/step, 0.396227 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2138000 661.9124 1798.7381 1980.2402 110.7341 0.5753 -1053.1781 0.0000 0.0000 2690.8349 6189.8568 297.2102 3499.0219 6222.7431 297.5466 PRESSURE: 2138200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2138200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2138200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2138200 0 0 0 0 0 0 0 0 0 TIMING: 2138200 CPU: 8581.23, 0.00394367/step Wall: 8581.23, 0.00394367/step, 0.396339 hours remaining, 114.421875 MB of memory in use. ENERGY: 2138200 655.5465 1859.7215 1957.7564 105.9588 0.2098 -1073.2539 0.0000 0.0000 2681.4175 6187.3566 296.1700 3505.9392 6220.6367 298.0467 PRESSURE: 2138400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2138400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2138400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2138400 0 0 0 0 0 0 0 0 0 TIMING: 2138400 CPU: 8582.02, 0.00394049/step Wall: 8582.02, 0.00394049/step, 0.3958 hours remaining, 114.421875 MB of memory in use. ENERGY: 2138400 655.0538 1825.1416 1941.2912 92.4598 0.6310 -1074.8378 0.0000 0.0000 2713.7866 6153.5261 299.7453 3439.7395 6189.4631 296.2636 PRESSURE: 2138600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2138600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2138600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2138600 0 0 0 0 0 0 0 0 0 TIMING: 2138600 CPU: 8582.81, 0.0039408/step Wall: 8582.81, 0.0039408/step, 0.395613 hours remaining, 114.421875 MB of memory in use. ENERGY: 2138600 679.1467 1843.5898 1978.7177 101.0648 -0.7940 -1070.9157 0.0000 0.0000 2692.4468 6223.2561 297.3883 3530.8093 6256.1653 297.7190 PRESSURE: 2138800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2138800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2138800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2138800 0 0 0 0 0 0 0 0 0 TIMING: 2138800 CPU: 8583.6, 0.00393847/step Wall: 8583.6, 0.00393847/step, 0.395159 hours remaining, 114.421875 MB of memory in use. ENERGY: 2138800 627.8069 1856.3107 1955.3788 100.9686 0.7474 -1083.1480 0.0000 0.0000 2697.1827 6155.2471 297.9113 3458.0644 6188.6940 298.0476 PRESSURE: 2139000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2139000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2139000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2139000 0 0 0 0 0 0 0 0 0 TIMING: 2139000 CPU: 8584.38, 0.00394196/step Wall: 8584.38, 0.00394196/step, 0.395291 hours remaining, 114.421875 MB of memory in use. ENERGY: 2139000 664.8075 1864.8062 1955.6563 110.1499 0.1413 -1094.1543 0.0000 0.0000 2681.9529 6183.3597 296.2292 3501.4069 6216.3426 296.8108 PRESSURE: 2139200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2139200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2139200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2139200 0 0 0 0 0 0 0 0 0 TIMING: 2139200 CPU: 8585.17, 0.00394355/step Wall: 8585.17, 0.00394355/step, 0.395231 hours remaining, 114.421875 MB of memory in use. ENERGY: 2139200 650.6339 1819.8700 1963.7274 92.4656 0.3663 -1076.5846 0.0000 0.0000 2691.7635 6142.2421 297.3128 3450.4786 6174.1982 296.6660 PRESSURE: 2139400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2139400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2139400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2139400 0 0 0 0 0 0 0 0 0 TIMING: 2139400 CPU: 8585.96, 0.00394295/step Wall: 8585.96, 0.00394295/step, 0.394952 hours remaining, 114.421875 MB of memory in use. ENERGY: 2139400 637.3466 1872.5868 1956.0390 104.1805 2.0915 -1034.9652 0.0000 0.0000 2642.5280 6179.8072 291.8746 3537.2792 6209.9879 295.6970 PRESSURE: 2139600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2139600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2139600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2139600 0 0 0 0 0 0 0 0 0 TIMING: 2139600 CPU: 8586.75, 0.0039404/step Wall: 8586.75, 0.0039404/step, 0.394477 hours remaining, 114.421875 MB of memory in use. ENERGY: 2139600 659.9594 1862.3829 1947.5739 114.1003 1.0798 -1093.9076 0.0000 0.0000 2670.1396 6161.3284 294.9244 3491.1888 6192.7480 297.3648 PRESSURE: 2139800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2139800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2139800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2139800 0 0 0 0 0 0 0 0 0 TIMING: 2139800 CPU: 8587.54, 0.00394457/step Wall: 8587.54, 0.00394457/step, 0.394676 hours remaining, 114.421875 MB of memory in use. ENERGY: 2139800 660.4572 1827.2955 1941.6591 104.3616 1.3702 -1057.5346 0.0000 0.0000 2694.9754 6172.5844 297.6675 3477.6089 6207.2774 298.0099 PRESSURE: 2140000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2140000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2140000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2140000 0 0 0 0 0 0 0 0 0 TIMING: 2140000 CPU: 8588.33, 0.00394444/step Wall: 8588.33, 0.00394444/step, 0.394444 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2140000 667.0177 1880.0012 1948.6612 108.3093 1.4549 -1086.3352 0.0000 0.0000 2708.9394 6228.0484 299.2099 3519.1090 6262.9245 299.7899 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2140000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2140000 WRITING COORDINATES TO RESTART FILE AT STEP 2140000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2140000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2140200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2140200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2140200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2140200 0 0 0 0 0 0 0 0 0 TIMING: 2140200 CPU: 8597.41, 0.0453991/step Wall: 8597.41, 0.0453991/step, 4.53739 hours remaining, 114.421875 MB of memory in use. ENERGY: 2140200 640.1994 1860.6732 1934.8445 122.0752 1.1383 -1072.9490 0.0000 0.0000 2738.4325 6224.4143 302.4675 3485.9818 6257.5923 298.5657 LDB: ============= START OF LOAD BALANCING ============== 8600.36 LDB: ============== END OF LOAD BALANCING =============== 8600.36 LDB: =============== DONE WITH MIGRATION ================ 8600.37 LDB: ============= START OF LOAD BALANCING ============== 8600.76 LDB: ============== END OF LOAD BALANCING =============== 8600.76 LDB: =============== DONE WITH MIGRATION ================ 8600.76 PRESSURE: 2140400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2140400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2140400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2140400 0 0 0 0 0 0 0 0 0 TIMING: 2140400 CPU: 8598.2, 0.0039485/step Wall: 8598.2, 0.0039485/step, 0.394411 hours remaining, 114.421875 MB of memory in use. ENERGY: 2140400 619.2790 1865.6428 1971.9524 102.6156 1.4250 -1074.6776 0.0000 0.0000 2720.8792 6207.1163 300.5287 3486.2372 6240.9054 298.5214 PRESSURE: 2140600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2140600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2140600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2140600 0 0 0 0 0 0 0 0 0 TIMING: 2140600 CPU: 8598.99, 0.00394541/step Wall: 8598.99, 0.00394541/step, 0.393883 hours remaining, 114.421875 MB of memory in use. ENERGY: 2140600 625.9825 1842.7295 1963.5980 100.7718 0.3464 -1041.2312 0.0000 0.0000 2741.4160 6233.6131 302.7970 3492.1971 6269.0137 298.4672 PRESSURE: 2140800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2140800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2140800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2140800 0 0 0 0 0 0 0 0 0 TIMING: 2140800 CPU: 8599.77, 0.00393892/step Wall: 8599.77, 0.00393892/step, 0.393016 hours remaining, 114.421875 MB of memory in use. ENERGY: 2140800 647.3818 1777.8497 1994.2679 119.4045 0.9685 -1038.7237 0.0000 0.0000 2731.8589 6233.0074 301.7414 3501.1486 6266.2136 300.0567 PRESSURE: 2141000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2141000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2141000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2141000 0 0 0 0 0 0 0 0 0 TIMING: 2141000 CPU: 8600.56, 0.00394476/step Wall: 8600.56, 0.00394476/step, 0.39338 hours remaining, 114.421875 MB of memory in use. ENERGY: 2141000 649.6046 1913.5379 1940.8197 99.2937 0.9560 -1068.4015 0.0000 0.0000 2651.0531 6186.8636 292.8162 3535.8105 6218.6948 300.3586 PRESSURE: 2141200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2141200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2141200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2141200 0 0 0 0 0 0 0 0 0 TIMING: 2141200 CPU: 8601.35, 0.00394523/step Wall: 8601.35, 0.00394523/step, 0.393208 hours remaining, 114.421875 MB of memory in use. ENERGY: 2141200 643.7965 1881.1637 1957.8321 92.1961 1.5899 -1063.5048 0.0000 0.0000 2698.7109 6211.7845 298.0801 3513.0736 6245.3792 299.5735 PRESSURE: 2141400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2141400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2141400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2141400 0 0 0 0 0 0 0 0 0 TIMING: 2141400 CPU: 8602.14, 0.00394418/step Wall: 8602.14, 0.00394418/step, 0.392884 hours remaining, 114.421875 MB of memory in use. ENERGY: 2141400 648.6865 1870.8884 1917.7051 104.3355 1.4472 -1057.0656 0.0000 0.0000 2745.5284 6231.5254 303.2513 3485.9970 6269.1099 299.1470 PRESSURE: 2141600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2141600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2141600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2141600 0 0 0 0 0 0 0 0 0 TIMING: 2141600 CPU: 8602.93, 0.00394475/step Wall: 8602.93, 0.00394475/step, 0.392721 hours remaining, 114.421875 MB of memory in use. ENERGY: 2141600 672.2725 1930.4026 1932.9047 117.0303 1.6218 -1064.0355 0.0000 0.0000 2724.3520 6314.5483 300.9123 3590.1963 6346.3904 302.8826 PRESSURE: 2141800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2141800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2141800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2141800 0 0 0 0 0 0 0 0 0 TIMING: 2141800 CPU: 8603.72, 0.00394079/step Wall: 8603.72, 0.00394079/step, 0.392109 hours remaining, 114.421875 MB of memory in use. ENERGY: 2141800 663.0047 1892.4043 1978.4337 102.8184 0.7429 -1056.4035 0.0000 0.0000 2708.6387 6289.6392 299.1767 3581.0005 6321.8194 302.6210 PRESSURE: 2142000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2142000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2142000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2142000 0 0 0 0 0 0 0 0 0 TIMING: 2142000 CPU: 8604.51, 0.00394629/step Wall: 8604.51, 0.00394629/step, 0.392436 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2142000 655.4281 1837.2008 1975.9994 102.0026 1.4848 -1059.7893 0.0000 0.0000 2753.7793 6266.1057 304.1626 3512.3264 6297.9073 304.2657 PRESSURE: 2142200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2142200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2142200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2142200 0 0 0 0 0 0 0 0 0 TIMING: 2142200 CPU: 8605.3, 0.00394596/step Wall: 8605.3, 0.00394596/step, 0.392184 hours remaining, 114.421875 MB of memory in use. ENERGY: 2142200 607.6520 1837.8708 1948.1683 117.3751 -0.1696 -1047.7710 0.0000 0.0000 2746.0548 6209.1806 303.3094 3463.1258 6243.6191 301.0674 PRESSURE: 2142400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2142400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2142400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2142400 0 0 0 0 0 0 0 0 0 TIMING: 2142400 CPU: 8606.08, 0.00394387/step Wall: 8606.08, 0.00394387/step, 0.391757 hours remaining, 114.421875 MB of memory in use. ENERGY: 2142400 625.9123 1900.5343 1938.6324 110.4823 0.2432 -1057.5120 0.0000 0.0000 2666.9817 6185.2741 294.5756 3518.2924 6217.0313 298.7094 PRESSURE: 2142600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2142600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2142600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2142600 0 0 0 0 0 0 0 0 0 TIMING: 2142600 CPU: 8606.87, 0.0039439/step Wall: 8606.87, 0.00394391/step, 0.391543 hours remaining, 114.421875 MB of memory in use. ENERGY: 2142600 649.8031 1849.6787 1934.4625 107.0317 1.1069 -1034.8560 0.0000 0.0000 2727.0836 6234.3105 301.2140 3507.2268 6266.3220 299.4181 PRESSURE: 2142800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2142800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2142800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2142800 0 0 0 0 0 0 0 0 0 TIMING: 2142800 CPU: 8607.66, 0.00393901/step Wall: 8607.66, 0.00393901/step, 0.390837 hours remaining, 114.421875 MB of memory in use. ENERGY: 2142800 646.2109 1826.6814 1944.0406 97.4583 1.3780 -1050.6417 0.0000 0.0000 2684.2101 6149.3376 296.4785 3465.1275 6181.2952 298.4233 PRESSURE: 2143000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2143000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2143000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2143000 0 0 0 0 0 0 0 0 0 TIMING: 2143000 CPU: 8608.45, 0.00394713/step Wall: 8608.45, 0.00394713/step, 0.391424 hours remaining, 114.421875 MB of memory in use. ENERGY: 2143000 669.7690 1805.1537 1951.4486 116.0742 1.7361 -1103.2290 0.0000 0.0000 2686.1971 6127.1498 296.6980 3440.9526 6161.6278 296.5741 PRESSURE: 2143200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2143200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2143200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2143200 0 0 0 0 0 0 0 0 0 TIMING: 2143200 CPU: 8609.24, 0.00395039/step Wall: 8609.24, 0.00395039/step, 0.391528 hours remaining, 114.421875 MB of memory in use. ENERGY: 2143200 668.8277 1783.6847 1947.9248 103.8964 2.8185 -1051.2296 0.0000 0.0000 2710.2153 6166.1380 299.3508 3455.9227 6200.3574 296.5089 PRESSURE: 2143400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2143400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2143400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2143400 0 0 0 0 0 0 0 0 0 TIMING: 2143400 CPU: 8610.03, 0.00394647/step Wall: 8610.03, 0.00394647/step, 0.39092 hours remaining, 114.421875 MB of memory in use. ENERGY: 2143400 675.2498 1843.9092 1934.8763 111.7903 0.7494 -1078.1739 0.0000 0.0000 2698.0347 6186.4359 298.0054 3488.4012 6220.1450 297.3011 PRESSURE: 2143600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2143600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2143600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2143600 0 0 0 0 0 0 0 0 0 TIMING: 2143600 CPU: 8610.82, 0.00394063/step Wall: 8610.82, 0.00394063/step, 0.390122 hours remaining, 114.421875 MB of memory in use. ENERGY: 2143600 645.7810 1856.8977 1960.1373 101.3417 1.2887 -1086.4898 0.0000 0.0000 2693.1654 6172.1220 297.4676 3478.9566 6206.3217 297.5933 PRESSURE: 2143800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2143800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2143800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2143800 0 0 0 0 0 0 0 0 0 TIMING: 2143800 CPU: 8611.61, 0.00394953/step Wall: 8611.61, 0.00394953/step, 0.390784 hours remaining, 114.421875 MB of memory in use. ENERGY: 2143800 648.6184 1841.9130 1972.1312 110.5945 0.4323 -1093.2188 0.0000 0.0000 2710.1488 6190.6195 299.3435 3480.4707 6225.2530 296.2961 PRESSURE: 2144000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2144000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2144000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2144000 0 0 0 0 0 0 0 0 0 TIMING: 2144000 CPU: 8612.4, 0.00394533/step Wall: 8612.4, 0.00394533/step, 0.390149 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2144000 654.7800 1830.4610 1941.6866 108.9901 0.1540 -1088.0107 0.0000 0.0000 2663.7192 6111.7803 294.2152 3448.0611 6144.5987 295.7026 PRESSURE: 2144200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2144200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2144200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2144200 0 0 0 0 0 0 0 0 0 TIMING: 2144200 CPU: 8613.19, 0.00394558/step Wall: 8613.19, 0.00394558/step, 0.389955 hours remaining, 114.421875 MB of memory in use. ENERGY: 2144200 674.9671 1790.3671 1936.4604 102.9904 0.1072 -1086.5217 0.0000 0.0000 2714.3535 6132.7241 299.8079 3418.3706 6167.1067 293.6278 LDB: ============= START OF LOAD BALANCING ============== 8616.14 LDB: ============== END OF LOAD BALANCING =============== 8616.14 LDB: =============== DONE WITH MIGRATION ================ 8616.14 LDB: ============= START OF LOAD BALANCING ============== 8616.54 LDB: ============== END OF LOAD BALANCING =============== 8616.54 LDB: =============== DONE WITH MIGRATION ================ 8616.54 PRESSURE: 2144400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2144400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2144400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2144400 0 0 0 0 0 0 0 0 0 TIMING: 2144400 CPU: 8613.98, 0.00394868/step Wall: 8613.98, 0.00394868/step, 0.390041 hours remaining, 114.421875 MB of memory in use. ENERGY: 2144400 644.7494 1844.1782 1954.9035 98.4307 -0.1965 -1065.8876 0.0000 0.0000 2709.4229 6185.6004 299.2633 3476.1776 6218.8660 295.9504 PRESSURE: 2144600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2144600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2144600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2144600 0 0 0 0 0 0 0 0 0 TIMING: 2144600 CPU: 8614.76, 0.00394153/step Wall: 8614.76, 0.00394153/step, 0.389117 hours remaining, 114.421875 MB of memory in use. ENERGY: 2144600 640.2928 1829.6698 1969.9684 108.1454 -0.0417 -1057.4384 0.0000 0.0000 2683.5106 6174.1069 296.4012 3490.5963 6207.4717 297.1350 PRESSURE: 2144800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2144800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2144800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2144800 0 0 0 0 0 0 0 0 0 TIMING: 2144800 CPU: 8615.55, 0.00394835/step Wall: 8615.55, 0.00394835/step, 0.389571 hours remaining, 114.421875 MB of memory in use. ENERGY: 2144800 613.4646 1810.6346 1953.7799 102.2925 0.6255 -1058.8917 0.0000 0.0000 2689.7839 6111.6894 297.0941 3421.9055 6140.8582 296.5242 PRESSURE: 2145000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2145000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2145000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2145000 0 0 0 0 0 0 0 0 0 TIMING: 2145000 CPU: 8616.34, 0.00394762/step Wall: 8616.34, 0.00394762/step, 0.389279 hours remaining, 114.421875 MB of memory in use. ENERGY: 2145000 578.8684 1847.8932 1954.3685 115.4263 1.7106 -1063.9995 0.0000 0.0000 2687.4886 6121.7561 296.8406 3434.2675 6153.6883 295.3325 PRESSURE: 2145200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2145200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2145200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2145200 0 0 0 0 0 0 0 0 0 TIMING: 2145200 CPU: 8617.13, 0.00394786/step Wall: 8617.13, 0.00394786/step, 0.389084 hours remaining, 114.421875 MB of memory in use. ENERGY: 2145200 628.4861 1766.8901 1944.9609 106.3782 0.9899 -1067.2788 0.0000 0.0000 2707.9082 6088.3346 299.0960 3380.4264 6121.6860 294.3889 PRESSURE: 2145400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2145400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2145400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2145400 0 0 0 0 0 0 0 0 0 TIMING: 2145400 CPU: 8617.92, 0.00394508/step Wall: 8617.92, 0.00394508/step, 0.388591 hours remaining, 114.421875 MB of memory in use. ENERGY: 2145400 641.0778 1814.4557 1963.7097 91.5482 0.8635 -1073.6879 0.0000 0.0000 2737.5904 6175.5573 302.3745 3437.9669 6208.6545 295.4433 PRESSURE: 2145600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2145600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2145600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2145600 0 0 0 0 0 0 0 0 0 TIMING: 2145600 CPU: 8618.71, 0.00394086/step Wall: 8618.71, 0.00394086/step, 0.387956 hours remaining, 114.421875 MB of memory in use. ENERGY: 2145600 653.3590 1807.4110 1964.3641 114.5315 0.3925 -1045.1600 0.0000 0.0000 2658.0421 6152.9403 293.5882 3494.8981 6185.0508 294.7896 PRESSURE: 2145800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2145800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2145800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2145800 0 0 0 0 0 0 0 0 0 TIMING: 2145800 CPU: 8619.5, 0.00395349/step Wall: 8619.5, 0.00395349/step, 0.38898 hours remaining, 114.421875 MB of memory in use. ENERGY: 2145800 643.8229 1813.6555 1984.0046 116.4435 0.2351 -1040.2676 0.0000 0.0000 2681.1618 6199.0558 296.1418 3517.8940 6229.4941 297.0507 PRESSURE: 2146000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2146000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2146000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2146000 0 0 0 0 0 0 0 0 0 TIMING: 2146000 CPU: 8620.29, 0.00394537/step Wall: 8620.29, 0.00394537/step, 0.387961 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2146000 667.3489 1780.7012 1971.9016 123.7751 1.1961 -1022.5966 0.0000 0.0000 2735.3419 6257.6682 302.1261 3522.3263 6291.0898 300.3169 PRESSURE: 2146200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2146200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2146200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2146200 0 0 0 0 0 0 0 0 0 TIMING: 2146200 CPU: 8621.08, 0.00394366/step Wall: 8621.08, 0.00394366/step, 0.387574 hours remaining, 114.421875 MB of memory in use. ENERGY: 2146200 639.4797 1775.7361 1983.1564 110.3376 0.8904 -1086.1687 0.0000 0.0000 2752.7869 6176.2184 304.0530 3423.4315 6212.0867 299.6434 PRESSURE: 2146400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2146400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2146400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2146400 0 0 0 0 0 0 0 0 0 TIMING: 2146400 CPU: 8621.87, 0.00393803/step Wall: 8621.87, 0.00393803/step, 0.386803 hours remaining, 114.421875 MB of memory in use. ENERGY: 2146400 669.2788 1830.0068 1931.1785 102.7965 0.2696 -1053.9099 0.0000 0.0000 2710.4811 6190.1014 299.3802 3479.6203 6223.4022 298.5842 PRESSURE: 2146600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2146600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2146600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2146600 0 0 0 0 0 0 0 0 0 TIMING: 2146600 CPU: 8622.65, 0.00394197/step Wall: 8622.65, 0.00394197/step, 0.38697 hours remaining, 114.421875 MB of memory in use. ENERGY: 2146600 644.7567 1822.6870 1989.1201 110.6241 1.7159 -1051.8049 0.0000 0.0000 2719.1095 6236.2084 300.3332 3517.0989 6270.0283 297.4648 PRESSURE: 2146800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2146800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2146800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2146800 0 0 0 0 0 0 0 0 0 TIMING: 2146800 CPU: 8623.44, 0.00394414/step Wall: 8623.44, 0.00394414/step, 0.386964 hours remaining, 114.421875 MB of memory in use. ENERGY: 2146800 642.1756 1803.3683 1957.0866 98.2228 1.3635 -1051.6835 0.0000 0.0000 2748.6678 6199.2010 303.5980 3450.5332 6234.6560 298.8301 PRESSURE: 2147000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2147000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2147000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2147000 0 0 0 0 0 0 0 0 0 TIMING: 2147000 CPU: 8624.23, 0.00394389/step Wall: 8624.23, 0.00394389/step, 0.38672 hours remaining, 114.421875 MB of memory in use. ENERGY: 2147000 640.9697 1827.0839 1936.2279 109.4138 0.8068 -1049.8569 0.0000 0.0000 2751.4602 6216.1054 303.9064 3464.6452 6249.4319 299.3304 PRESSURE: 2147200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2147200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2147200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2147200 0 0 0 0 0 0 0 0 0 TIMING: 2147200 CPU: 8625.02, 0.00394475/step Wall: 8625.02, 0.00394475/step, 0.386586 hours remaining, 114.421875 MB of memory in use. ENERGY: 2147200 662.2404 1826.3816 1951.2794 111.8425 0.2272 -1052.7071 0.0000 0.0000 2721.9244 6221.1885 300.6441 3499.2640 6255.7797 298.3548 PRESSURE: 2147400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2147400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2147400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2147400 0 0 0 0 0 0 0 0 0 TIMING: 2147400 CPU: 8625.81, 0.00395903/step Wall: 8625.81, 0.00395903/step, 0.387765 hours remaining, 114.421875 MB of memory in use. ENERGY: 2147400 626.7090 1859.9215 1940.4446 109.9144 0.7587 -1056.9407 0.0000 0.0000 2747.4001 6228.2076 303.4580 3480.8075 6264.0336 299.2900 PRESSURE: 2147600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2147600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2147600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2147600 0 0 0 0 0 0 0 0 0 TIMING: 2147600 CPU: 8626.6, 0.00394608/step Wall: 8626.6, 0.00394608/step, 0.386277 hours remaining, 114.421875 MB of memory in use. ENERGY: 2147600 660.7964 1832.7419 1923.5896 102.0378 1.9557 -1035.0084 0.0000 0.0000 2726.2352 6212.3483 301.1203 3486.1130 6248.0143 298.2539 PRESSURE: 2147800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2147800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2147800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2147800 0 0 0 0 0 0 0 0 0 TIMING: 2147800 CPU: 8627.39, 0.00394495/step Wall: 8627.39, 0.00394495/step, 0.385948 hours remaining, 114.421875 MB of memory in use. ENERGY: 2147800 655.8363 1830.3161 1952.4358 101.5880 1.7718 -1047.7465 0.0000 0.0000 2724.5107 6218.7122 300.9298 3494.2015 6253.3901 299.5727 PRESSURE: 2148000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2148000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2148000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2148000 0 0 0 0 0 0 0 0 0 TIMING: 2148000 CPU: 8628.18, 0.00394166/step Wall: 8628.18, 0.00394166/step, 0.385407 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2148000 655.8393 1889.1925 1931.6600 98.9809 0.9152 -1089.7764 0.0000 0.0000 2686.5124 6173.3239 296.7328 3486.8116 6208.0596 298.8295 PRESSURE: 2148200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2148200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2148200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2148200 0 0 0 0 0 0 0 0 0 TIMING: 2148200 CPU: 8628.97, 0.00394165/step Wall: 8628.97, 0.00394165/step, 0.385187 hours remaining, 114.421875 MB of memory in use. ENERGY: 2148200 661.4527 1831.0067 1967.7226 100.9058 1.1504 -1073.6401 0.0000 0.0000 2696.6102 6185.2083 297.8481 3488.5981 6218.4663 297.6930 LDB: ============= START OF LOAD BALANCING ============== 8631.93 LDB: ============== END OF LOAD BALANCING =============== 8631.93 LDB: =============== DONE WITH MIGRATION ================ 8631.93 LDB: ============= START OF LOAD BALANCING ============== 8632.32 LDB: ============== END OF LOAD BALANCING =============== 8632.32 LDB: =============== DONE WITH MIGRATION ================ 8632.32 PRESSURE: 2148400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2148400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2148400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2148400 0 0 0 0 0 0 0 0 0 TIMING: 2148400 CPU: 8629.76, 0.00394399/step Wall: 8629.76, 0.00394399/step, 0.385196 hours remaining, 114.421875 MB of memory in use. ENERGY: 2148400 629.7119 1879.2212 1954.2293 109.0444 -0.1458 -1072.2400 0.0000 0.0000 2675.4369 6175.2579 295.5095 3499.8210 6208.7250 297.6830 PRESSURE: 2148600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2148600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2148600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2148600 0 0 0 0 0 0 0 0 0 TIMING: 2148600 CPU: 8630.55, 0.00394307/step Wall: 8630.55, 0.00394307/step, 0.384888 hours remaining, 114.421875 MB of memory in use. ENERGY: 2148600 654.7655 1856.2786 1933.6197 108.8453 1.0534 -1063.3804 0.0000 0.0000 2659.5387 6150.7207 293.7535 3491.1820 6184.2950 296.2417 PRESSURE: 2148800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2148800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2148800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2148800 0 0 0 0 0 0 0 0 0 TIMING: 2148800 CPU: 8631.33, 0.0039445/step Wall: 8631.33, 0.0039445/step, 0.384808 hours remaining, 114.421875 MB of memory in use. ENERGY: 2148800 675.4091 1870.3090 1959.5802 95.9441 1.4369 -1075.9873 0.0000 0.0000 2697.1300 6223.8219 297.9055 3526.6919 6256.3352 298.7718 PRESSURE: 2149000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2149000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2149000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2149000 0 0 0 0 0 0 0 0 0 TIMING: 2149000 CPU: 8632.12, 0.00394207/step Wall: 8632.12, 0.00394207/step, 0.384351 hours remaining, 114.421875 MB of memory in use. ENERGY: 2149000 642.5861 1867.7571 1978.1972 111.7933 1.5337 -1057.7461 0.0000 0.0000 2711.7167 6255.8380 299.5167 3544.1212 6290.3367 300.5860 PRESSURE: 2149200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2149200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2149200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2149200 0 0 0 0 0 0 0 0 0 TIMING: 2149200 CPU: 8632.91, 0.00394142/step Wall: 8632.91, 0.00394141/step, 0.384069 hours remaining, 114.421875 MB of memory in use. ENERGY: 2149200 643.6178 1877.6536 1914.7593 108.0046 2.1122 -1024.9235 0.0000 0.0000 2712.7345 6233.9585 299.6291 3521.2240 6268.6758 300.9848 PRESSURE: 2149400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2149400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2149400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2149400 0 0 0 0 0 0 0 0 0 TIMING: 2149400 CPU: 8633.7, 0.00393891/step Wall: 8633.7, 0.00393892/step, 0.383607 hours remaining, 114.421875 MB of memory in use. ENERGY: 2149400 693.9653 1847.7294 1946.1092 96.9794 0.9773 -1074.5756 0.0000 0.0000 2768.2156 6279.4006 305.7571 3511.1850 6314.6647 301.9526 PRESSURE: 2149600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2149600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2149600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2149600 0 0 0 0 0 0 0 0 0 TIMING: 2149600 CPU: 8634.49, 0.00394153/step Wall: 8634.49, 0.00394153/step, 0.383642 hours remaining, 114.421875 MB of memory in use. ENERGY: 2149600 674.9413 1837.7971 1935.6441 102.6994 1.0238 -1040.0308 0.0000 0.0000 2726.3764 6238.4514 301.1359 3512.0750 6269.5476 301.8699 PRESSURE: 2149800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2149800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2149800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2149800 0 0 0 0 0 0 0 0 0 TIMING: 2149800 CPU: 8635.27, 0.00394017/step Wall: 8635.27, 0.00394017/step, 0.383291 hours remaining, 114.421875 MB of memory in use. ENERGY: 2149800 690.1726 1859.9480 1956.9493 106.9009 0.7305 -1105.6069 0.0000 0.0000 2764.7306 6273.8250 305.3722 3509.0944 6308.2543 301.3728 PRESSURE: 2150000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2150000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2150000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2150000 0 0 0 0 0 0 0 0 0 TIMING: 2150000 CPU: 8636.06, 0.00394063/step Wall: 8636.06, 0.00394062/step, 0.383116 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2150000 681.8432 1840.6783 1969.3505 107.2776 1.0256 -1077.0736 0.0000 0.0000 2766.0234 6289.1251 305.5150 3523.1017 6323.0514 304.1801 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2150000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2150000 WRITING COORDINATES TO RESTART FILE AT STEP 2150000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2150000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2150200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2150200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2150200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2150200 0 0 0 0 0 0 0 0 0 TIMING: 2150200 CPU: 8636.94, 0.00438902/step Wall: 8636.94, 0.00438903/step, 0.426467 hours remaining, 114.421875 MB of memory in use. ENERGY: 2150200 663.1759 1912.1468 1953.3146 107.9632 0.0944 -1073.8214 0.0000 0.0000 2681.7768 6244.6503 296.2097 3562.8735 6276.9048 303.0059 PRESSURE: 2150400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2150400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2150400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2150400 0 0 0 0 0 0 0 0 0 TIMING: 2150400 CPU: 8637.73, 0.00393682/step Wall: 8637.73, 0.00393682/step, 0.382309 hours remaining, 114.421875 MB of memory in use. ENERGY: 2150400 690.4185 1794.3207 1967.3078 103.1603 -0.2805 -1084.0843 0.0000 0.0000 2779.2789 6250.1215 306.9791 3470.8426 6285.6883 302.5520 PRESSURE: 2150600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2150600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2150600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2150600 0 0 0 0 0 0 0 0 0 TIMING: 2150600 CPU: 8638.52, 0.00393964/step Wall: 8638.52, 0.00393964/step, 0.382364 hours remaining, 114.421875 MB of memory in use. ENERGY: 2150600 686.3008 1854.8630 1970.4321 102.2377 0.9135 -1072.5507 0.0000 0.0000 2749.2682 6291.4645 303.6643 3542.1964 6325.2163 301.8738 PRESSURE: 2150800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2150800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2150800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2150800 0 0 0 0 0 0 0 0 0 TIMING: 2150800 CPU: 8639.3, 0.00394026/step Wall: 8639.3, 0.00394026/step, 0.382205 hours remaining, 114.421875 MB of memory in use. ENERGY: 2150800 653.0739 1862.4819 1940.7252 108.7238 0.9099 -1050.2411 0.0000 0.0000 2760.7120 6276.3856 304.9283 3515.6736 6308.1252 304.0407 PRESSURE: 2151000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2151000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2151000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2151000 0 0 0 0 0 0 0 0 0 TIMING: 2151000 CPU: 8640.09, 0.00394113/step Wall: 8640.09, 0.00394113/step, 0.382071 hours remaining, 114.421875 MB of memory in use. ENERGY: 2151000 718.3203 1874.4268 1939.7100 111.0299 0.3624 -1097.4150 0.0000 0.0000 2722.8453 6269.2798 300.7458 3546.4345 6303.2332 302.2626 PRESSURE: 2151200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2151200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2151200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2151200 0 0 0 0 0 0 0 0 0 TIMING: 2151200 CPU: 8640.88, 0.00393826/step Wall: 8640.88, 0.00393826/step, 0.381574 hours remaining, 114.421875 MB of memory in use. ENERGY: 2151200 679.4995 1853.3827 1955.3995 106.4298 -0.6794 -1065.9724 0.0000 0.0000 2717.6303 6245.6900 300.1698 3528.0597 6279.2565 300.8001 PRESSURE: 2151400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2151400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2151400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2151400 0 0 0 0 0 0 0 0 0 TIMING: 2151400 CPU: 8641.67, 0.00394336/step Wall: 8641.67, 0.00394336/step, 0.381848 hours remaining, 114.421875 MB of memory in use. ENERGY: 2151400 651.4187 1881.4842 1956.2896 112.2154 -1.1004 -1061.3636 0.0000 0.0000 2740.8469 6279.7908 302.7342 3538.9439 6314.5157 300.9685 PRESSURE: 2151600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2151600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2151600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2151600 0 0 0 0 0 0 0 0 0 TIMING: 2151600 CPU: 8642.46, 0.00393999/step Wall: 8642.46, 0.00393999/step, 0.381304 hours remaining, 114.421875 MB of memory in use. ENERGY: 2151600 650.0571 1861.6708 1926.9404 121.7442 -0.7912 -1059.1259 0.0000 0.0000 2728.8825 6229.3781 301.4127 3500.4955 6260.0794 300.5592 PRESSURE: 2151800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2151800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2151800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2151800 0 0 0 0 0 0 0 0 0 TIMING: 2151800 CPU: 8643.24, 0.00394023/step Wall: 8643.24, 0.00394023/step, 0.381107 hours remaining, 114.421875 MB of memory in use. ENERGY: 2151800 649.4870 1805.8696 1962.7381 108.6119 0.0340 -1087.4058 0.0000 0.0000 2739.9535 6179.2883 302.6355 3439.3348 6213.4010 300.1755 PRESSURE: 2152000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2152000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2152000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2152000 0 0 0 0 0 0 0 0 0 TIMING: 2152000 CPU: 8644.03, 0.00394087/step Wall: 8644.03, 0.00394086/step, 0.38095 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2152000 662.6895 1800.9217 1969.1101 108.8752 0.9856 -1088.8638 0.0000 0.0000 2662.5155 6116.2338 294.0823 3453.7182 6152.5534 297.2375 PRESSURE: 2152200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2152200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2152200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2152200 0 0 0 0 0 0 0 0 0 TIMING: 2152200 CPU: 8644.82, 0.0039369/step Wall: 8644.82, 0.0039369/step, 0.380348 hours remaining, 114.421875 MB of memory in use. ENERGY: 2152200 666.3576 1846.2016 1970.5093 108.9833 -0.1437 -1061.4317 0.0000 0.0000 2627.8655 6158.3418 290.2551 3530.4764 6188.3861 295.9361 LDB: ============= START OF LOAD BALANCING ============== 8647.78 LDB: ============== END OF LOAD BALANCING =============== 8647.78 LDB: =============== DONE WITH MIGRATION ================ 8647.78 LDB: ============= START OF LOAD BALANCING ============== 8648.17 LDB: ============== END OF LOAD BALANCING =============== 8648.17 LDB: =============== DONE WITH MIGRATION ================ 8648.17 PRESSURE: 2152400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2152400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2152400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2152400 0 0 0 0 0 0 0 0 0 TIMING: 2152400 CPU: 8645.61, 0.00394542/step Wall: 8645.61, 0.00394542/step, 0.380952 hours remaining, 114.421875 MB of memory in use. ENERGY: 2152400 665.5231 1841.3258 1968.4772 105.6226 -0.5054 -1051.1736 0.0000 0.0000 2679.2300 6208.4997 295.9284 3529.2697 6240.0797 297.2072 PRESSURE: 2152600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2152600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2152600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2152600 0 0 0 0 0 0 0 0 0 TIMING: 2152600 CPU: 8646.4, 0.00394138/step Wall: 8646.4, 0.00394138/step, 0.380343 hours remaining, 114.421875 MB of memory in use. ENERGY: 2152600 673.5119 1804.2128 1964.1934 110.8920 -0.3142 -1050.8409 0.0000 0.0000 2692.9958 6194.6507 297.4489 3501.6549 6226.3007 299.4436 PRESSURE: 2152800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2152800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2152800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2152800 0 0 0 0 0 0 0 0 0 TIMING: 2152800 CPU: 8647.19, 0.00394089/step Wall: 8647.19, 0.00394089/step, 0.380077 hours remaining, 114.421875 MB of memory in use. ENERGY: 2152800 674.4129 1822.3416 1947.9005 101.5519 0.8863 -1052.9193 0.0000 0.0000 2635.2784 6129.4522 291.0738 3494.1738 6159.7143 295.7127 PRESSURE: 2153000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2153000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2153000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2153000 0 0 0 0 0 0 0 0 0 TIMING: 2153000 CPU: 8647.97, 0.00394083/step Wall: 8647.97, 0.00394083/step, 0.379852 hours remaining, 114.421875 MB of memory in use. ENERGY: 2153000 639.2055 1835.0519 1920.9713 109.1853 1.1065 -1057.4908 0.0000 0.0000 2663.8858 6111.9154 294.2336 3448.0296 6144.5726 294.5527 PRESSURE: 2153200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2153200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2153200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2153200 0 0 0 0 0 0 0 0 0 TIMING: 2153200 CPU: 8648.76, 0.00393689/step Wall: 8648.76, 0.00393689/step, 0.379253 hours remaining, 114.421875 MB of memory in use. ENERGY: 2153200 657.3552 1849.3435 1954.1190 94.7694 0.6759 -1032.6855 0.0000 0.0000 2633.7420 6157.3195 290.9041 3523.5775 6189.2120 295.7873 PRESSURE: 2153400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2153400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2153400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2153400 0 0 0 0 0 0 0 0 0 TIMING: 2153400 CPU: 8649.55, 0.00394011/step Wall: 8649.55, 0.00394011/step, 0.379346 hours remaining, 114.421875 MB of memory in use. ENERGY: 2153400 658.5522 1761.3283 1981.0574 104.8734 -0.7305 -1058.4752 0.0000 0.0000 2756.6977 6203.3033 304.4849 3446.6056 6238.4317 297.8885 PRESSURE: 2153600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2153600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2153600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2153600 0 0 0 0 0 0 0 0 0 TIMING: 2153600 CPU: 8650.34, 0.00393909/step Wall: 8650.34, 0.00393909/step, 0.379028 hours remaining, 114.421875 MB of memory in use. ENERGY: 2153600 653.5917 1868.5090 1968.0143 114.6522 -0.0166 -1087.6739 0.0000 0.0000 2689.4229 6206.4996 297.0542 3517.0767 6238.5676 299.3858 PRESSURE: 2153800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2153800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2153800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2153800 0 0 0 0 0 0 0 0 0 TIMING: 2153800 CPU: 8651.34, 0.00503073/step Wall: 8651.34, 0.00503073/step, 0.483789 hours remaining, 114.421875 MB of memory in use. ENERGY: 2153800 651.7988 1878.7030 1998.1860 98.3406 0.5287 -1076.8228 0.0000 0.0000 2708.6892 6259.4235 299.1823 3550.7343 6291.8511 302.1874 PRESSURE: 2154000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2154000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2154000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2154000 0 0 0 0 0 0 0 0 0 TIMING: 2154000 CPU: 8652.14, 0.00396345/step Wall: 8652.14, 0.00396345/step, 0.380932 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2154000 671.8534 1882.2236 1998.3132 102.2652 -0.4925 -1097.8531 0.0000 0.0000 2708.3955 6264.7053 299.1498 3556.3098 6298.6116 300.9972 PRESSURE: 2154200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2154200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2154200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2154200 0 0 0 0 0 0 0 0 0 TIMING: 2154200 CPU: 8652.92, 0.00393867/step Wall: 8652.92, 0.00393867/step, 0.378331 hours remaining, 114.421875 MB of memory in use. ENERGY: 2154200 634.3352 1831.3987 1962.2232 97.1016 -0.1448 -1071.4963 0.0000 0.0000 2809.4043 6262.8219 310.3065 3453.4176 6298.1647 303.2435 PRESSURE: 2154400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2154400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2154400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2154400 0 0 0 0 0 0 0 0 0 TIMING: 2154400 CPU: 8653.71, 0.00393972/step Wall: 8653.71, 0.00393972/step, 0.378213 hours remaining, 114.421875 MB of memory in use. ENERGY: 2154400 644.5274 1866.0288 1956.8316 103.9398 0.4653 -1086.7041 0.0000 0.0000 2765.9647 6251.0535 305.5085 3485.0887 6285.4810 303.0840 PRESSURE: 2154600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2154600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2154600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2154600 0 0 0 0 0 0 0 0 0 TIMING: 2154600 CPU: 8654.5, 0.00394194/step Wall: 8654.5, 0.00394194/step, 0.378207 hours remaining, 114.421875 MB of memory in use. ENERGY: 2154600 653.0721 1903.6766 1974.3176 104.3434 -0.2579 -1054.5795 0.0000 0.0000 2661.6006 6242.1728 293.9812 3580.5722 6272.4676 299.5630 PRESSURE: 2154800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2154800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2154800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2154800 0 0 0 0 0 0 0 0 0 TIMING: 2154800 CPU: 8655.29, 0.00394216/step Wall: 8655.29, 0.00394217/step, 0.37801 hours remaining, 114.421875 MB of memory in use. ENERGY: 2154800 713.4321 1850.1355 1977.1398 104.9567 -0.9418 -1059.0942 0.0000 0.0000 2681.6231 6267.2512 296.1927 3585.6281 6298.8377 300.9073 PRESSURE: 2155000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2155000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2155000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2155000 0 0 0 0 0 0 0 0 0 TIMING: 2155000 CPU: 8656.08, 0.00394208/step Wall: 8656.08, 0.00394208/step, 0.377783 hours remaining, 114.421875 MB of memory in use. ENERGY: 2155000 661.4037 1814.8995 1953.7940 106.3760 -1.6673 -1070.9045 0.0000 0.0000 2718.7475 6182.6488 300.2932 3463.9013 6217.4967 299.0527 PRESSURE: 2155200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2155200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2155200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2155200 0 0 0 0 0 0 0 0 0 TIMING: 2155200 CPU: 8656.86, 0.00393574/step Wall: 8656.86, 0.00393574/step, 0.376956 hours remaining, 114.421875 MB of memory in use. ENERGY: 2155200 656.0551 1871.8513 1953.9679 112.7738 -0.6014 -1106.8034 0.0000 0.0000 2664.8725 6152.1158 294.3426 3487.2433 6186.7337 297.3431 PRESSURE: 2155400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2155400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2155400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2155400 0 0 0 0 0 0 0 0 0 TIMING: 2155400 CPU: 8657.65, 0.00394222/step Wall: 8657.65, 0.00394221/step, 0.377358 hours remaining, 114.421875 MB of memory in use. ENERGY: 2155400 672.4168 1874.6772 1968.3264 105.3141 -1.5572 -1101.5215 0.0000 0.0000 2649.4069 6167.0628 292.6344 3517.6560 6196.0646 296.3236 PRESSURE: 2155600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2155600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2155600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2155600 0 0 0 0 0 0 0 0 0 TIMING: 2155600 CPU: 8658.44, 0.00394261/step Wall: 8658.44, 0.00394262/step, 0.377177 hours remaining, 114.421875 MB of memory in use. ENERGY: 2155600 659.0363 1876.7761 1956.7736 102.0770 0.6278 -1116.4150 0.0000 0.0000 2726.6599 6205.5357 301.1672 3478.8758 6241.0928 299.3915 PRESSURE: 2155800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2155800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2155800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2155800 0 0 0 0 0 0 0 0 0 TIMING: 2155800 CPU: 8659.23, 0.00395687/step Wall: 8659.23, 0.00395687/step, 0.378321 hours remaining, 114.421875 MB of memory in use. ENERGY: 2155800 665.3064 1833.5623 1956.3254 100.2044 0.4408 -1070.6440 0.0000 0.0000 2742.7947 6227.9901 302.9493 3485.1953 6262.5829 300.3676 PRESSURE: 2156000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2156000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2156000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2156000 0 0 0 0 0 0 0 0 0 TIMING: 2156000 CPU: 8660.02, 0.00394052/step Wall: 8660.02, 0.00394052/step, 0.376539 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2156000 645.5153 1831.5364 1960.7667 89.8552 -1.4747 -1073.8706 0.0000 0.0000 2740.2045 6192.5328 302.6632 3452.3283 6226.4763 300.2245 PRESSURE: 2156200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2156200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2156200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2156200 0 0 0 0 0 0 0 0 0 TIMING: 2156200 CPU: 8660.81, 0.00393597/step Wall: 8660.81, 0.00393597/step, 0.375886 hours remaining, 114.421875 MB of memory in use. ENERGY: 2156200 659.7495 1863.9843 1961.0431 114.4243 1.0120 -1060.8887 0.0000 0.0000 2628.6169 6167.9413 290.3381 3539.3244 6196.8617 298.8632 LDB: ============= START OF LOAD BALANCING ============== 8663.77 LDB: ============== END OF LOAD BALANCING =============== 8663.77 LDB: =============== DONE WITH MIGRATION ================ 8663.77 LDB: ============= START OF LOAD BALANCING ============== 8664.16 LDB: ============== END OF LOAD BALANCING =============== 8664.16 LDB: =============== DONE WITH MIGRATION ================ 8664.16 PRESSURE: 2156400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2156400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2156400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2156400 0 0 0 0 0 0 0 0 0 TIMING: 2156400 CPU: 8661.6, 0.00394686/step Wall: 8661.6, 0.00394686/step, 0.376705 hours remaining, 114.421875 MB of memory in use. ENERGY: 2156400 619.4280 1883.3778 1945.1753 118.1082 -0.2735 -1074.0181 0.0000 0.0000 2698.6117 6190.4093 298.0692 3491.7976 6222.4903 299.9134 PRESSURE: 2156600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2156600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2156600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2156600 0 0 0 0 0 0 0 0 0 TIMING: 2156600 CPU: 8662.39, 0.0039394/step Wall: 8662.39, 0.0039394/step, 0.375775 hours remaining, 114.421875 MB of memory in use. ENERGY: 2156600 666.6336 1847.6368 1936.8650 110.8031 0.7300 -1075.9189 0.0000 0.0000 2715.5140 6202.2635 299.9361 3486.7495 6237.8279 299.5486 PRESSURE: 2156800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2156800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2156800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2156800 0 0 0 0 0 0 0 0 0 TIMING: 2156800 CPU: 8663.17, 0.00394125/step Wall: 8663.17, 0.00394125/step, 0.375732 hours remaining, 114.421875 MB of memory in use. ENERGY: 2156800 676.7878 1863.6940 1924.5882 107.6731 0.4102 -1090.7571 0.0000 0.0000 2747.8051 6230.2012 303.5027 3482.3961 6262.3130 299.5913 PRESSURE: 2157000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2157000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2157000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2157000 0 0 0 0 0 0 0 0 0 TIMING: 2157000 CPU: 8663.96, 0.00393705/step Wall: 8663.96, 0.00393705/step, 0.375114 hours remaining, 114.421875 MB of memory in use. ENERGY: 2157000 639.2825 1867.1715 1951.3028 114.4564 0.4225 -1048.2275 0.0000 0.0000 2733.6234 6258.0315 301.9363 3524.4081 6292.4662 302.5054 PRESSURE: 2157200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2157200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2157200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2157200 0 0 0 0 0 0 0 0 0 TIMING: 2157200 CPU: 8664.75, 0.00393546/step Wall: 8664.75, 0.00393546/step, 0.374743 hours remaining, 114.421875 MB of memory in use. ENERGY: 2157200 648.7073 1847.7324 1944.6168 112.3327 1.8770 -1043.1785 0.0000 0.0000 2729.7581 6241.8458 301.5094 3512.0877 6279.2727 303.5013 PRESSURE: 2157400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2157400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2157400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2157400 0 0 0 0 0 0 0 0 0 TIMING: 2157400 CPU: 8665.54, 0.00394134/step Wall: 8665.54, 0.00394134/step, 0.375084 hours remaining, 114.421875 MB of memory in use. ENERGY: 2157400 686.5890 1862.2705 1933.9398 107.7288 0.8315 -1104.2405 0.0000 0.0000 2762.5527 6249.6718 305.1316 3487.1191 6282.1167 302.7110 PRESSURE: 2157600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2157600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2157600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2157600 0 0 0 0 0 0 0 0 0 TIMING: 2157600 CPU: 8666.32, 0.00394078/step Wall: 8666.32, 0.00394078/step, 0.374812 hours remaining, 114.421875 MB of memory in use. ENERGY: 2157600 654.8778 1917.0540 1913.8094 103.3939 0.8475 -1056.1946 0.0000 0.0000 2694.5304 6228.3184 297.6184 3533.7880 6259.7325 301.9149 PRESSURE: 2157800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2157800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2157800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2157800 0 0 0 0 0 0 0 0 0 TIMING: 2157800 CPU: 8667.11, 0.00394269/step Wall: 8667.11, 0.00394269/step, 0.374775 hours remaining, 114.421875 MB of memory in use. ENERGY: 2157800 667.1000 1890.8381 1930.8073 107.7804 0.1914 -1074.2086 0.0000 0.0000 2711.4196 6233.9282 299.4838 3522.5086 6269.4876 301.5929 PRESSURE: 2158000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2158000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2158000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2158000 0 0 0 0 0 0 0 0 0 TIMING: 2158000 CPU: 8667.9, 0.00393543/step Wall: 8667.9, 0.00393543/step, 0.373866 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2158000 658.6463 1878.9506 1934.3271 112.8502 2.2816 -1066.3531 0.0000 0.0000 2688.3690 6209.0717 296.9378 3520.7028 6239.5941 301.4377 PRESSURE: 2158200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2158200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2158200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2158200 0 0 0 0 0 0 0 0 0 TIMING: 2158200 CPU: 8668.69, 0.0039402/step Wall: 8668.69, 0.0039402/step, 0.3741 hours remaining, 114.421875 MB of memory in use. ENERGY: 2158200 660.6416 1814.4024 1960.2343 108.9555 1.1487 -1076.2549 0.0000 0.0000 2738.5045 6207.6321 302.4755 3469.1276 6243.6462 300.1241 PRESSURE: 2158400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2158400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2158400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2158400 0 0 0 0 0 0 0 0 0 TIMING: 2158400 CPU: 8669.48, 0.00394092/step Wall: 8669.48, 0.00394092/step, 0.373949 hours remaining, 114.421875 MB of memory in use. ENERGY: 2158400 638.3101 1917.8265 1943.6845 94.8869 1.8842 -1076.9605 0.0000 0.0000 2711.3184 6230.9501 299.4727 3519.6317 6264.7128 300.5912 PRESSURE: 2158600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2158600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2158600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2158600 0 0 0 0 0 0 0 0 0 TIMING: 2158600 CPU: 8670.26, 0.0039392/step Wall: 8670.26, 0.0039392/step, 0.373567 hours remaining, 114.421875 MB of memory in use. ENERGY: 2158600 663.0917 1908.6719 1926.4971 110.3488 1.2771 -1065.3693 0.0000 0.0000 2779.8424 6324.3597 307.0413 3544.5173 6358.7211 303.1950 PRESSURE: 2158800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2158800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2158800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2158800 0 0 0 0 0 0 0 0 0 TIMING: 2158800 CPU: 8671.05, 0.00394381/step Wall: 8671.05, 0.00394381/step, 0.373786 hours remaining, 114.421875 MB of memory in use. ENERGY: 2158800 656.0194 1855.2422 1959.2781 104.8860 0.5386 -1068.6093 0.0000 0.0000 2729.5642 6236.9192 301.4880 3507.3549 6270.0984 304.2765 PRESSURE: 2159000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2159000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2159000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2159000 0 0 0 0 0 0 0 0 0 TIMING: 2159000 CPU: 8671.84, 0.00393685/step Wall: 8671.84, 0.00393685/step, 0.372907 hours remaining, 114.421875 MB of memory in use. ENERGY: 2159000 683.8456 1859.7561 1943.9240 125.8350 2.2764 -1074.5504 0.0000 0.0000 2677.5444 6218.6310 295.7422 3541.0867 6249.4246 301.0973 PRESSURE: 2159200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2159200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2159200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2159200 0 0 0 0 0 0 0 0 0 TIMING: 2159200 CPU: 8672.63, 0.00394071/step Wall: 8672.63, 0.00394071/step, 0.373054 hours remaining, 114.421875 MB of memory in use. ENERGY: 2159200 652.9817 1849.3990 1959.5976 108.5150 1.0557 -1035.6791 0.0000 0.0000 2729.5376 6265.4075 301.4850 3535.8699 6299.1232 301.3053 PRESSURE: 2159400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2159400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2159400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2159400 0 0 0 0 0 0 0 0 0 TIMING: 2159400 CPU: 8673.42, 0.0039415/step Wall: 8673.42, 0.0039415/step, 0.37291 hours remaining, 114.421875 MB of memory in use. ENERGY: 2159400 643.9021 1863.7120 1942.1941 105.3973 1.1599 -1066.2709 0.0000 0.0000 2808.2753 6298.3699 310.1818 3490.0946 6338.0404 302.7227 PRESSURE: 2159600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2159600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2159600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2159600 0 0 0 0 0 0 0 0 0 TIMING: 2159600 CPU: 8674.2, 0.0039422/step Wall: 8674.2, 0.0039422/step, 0.372757 hours remaining, 114.421875 MB of memory in use. ENERGY: 2159600 646.0270 1840.0360 1948.9816 107.8890 0.7685 -1068.4165 0.0000 0.0000 2776.7756 6252.0611 306.7026 3475.2856 6286.7075 302.7142 PRESSURE: 2159800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2159800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2159800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2159800 0 0 0 0 0 0 0 0 0 TIMING: 2159800 CPU: 8674.99, 0.00393992/step Wall: 8674.99, 0.00393992/step, 0.372323 hours remaining, 114.421875 MB of memory in use. ENERGY: 2159800 654.8424 1819.5494 1958.2192 125.7377 -0.2345 -1046.5762 0.0000 0.0000 2729.0125 6240.5504 301.4270 3511.5379 6274.3537 301.2890 PRESSURE: 2160000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2160000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2160000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2160000 0 0 0 0 0 0 0 0 0 TIMING: 2160000 CPU: 8675.78, 0.00393872/step Wall: 8675.78, 0.00393872/step, 0.37199 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2160000 658.8107 1898.2923 1927.1932 108.8646 0.9131 -1051.5812 0.0000 0.0000 2740.8258 6283.3185 302.7318 3542.4926 6315.3112 302.0076 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2160000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2160000 WRITING COORDINATES TO RESTART FILE AT STEP 2160000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2160000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2160200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2160200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2160200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2160200 0 0 0 0 0 0 0 0 0 TIMING: 2160200 CPU: 8694.04, 0.0912944/step Wall: 8694.04, 0.0912944/step, 8.61718 hours remaining, 114.421875 MB of memory in use. ENERGY: 2160200 657.6243 1925.2405 1945.2356 116.8726 1.2395 -1054.1609 0.0000 0.0000 2713.6192 6305.6708 299.7268 3592.0516 6337.7827 304.7186 LDB: ============= START OF LOAD BALANCING ============== 8697 LDB: ============== END OF LOAD BALANCING =============== 8697 LDB: =============== DONE WITH MIGRATION ================ 8697 LDB: ============= START OF LOAD BALANCING ============== 8697.39 LDB: ============== END OF LOAD BALANCING =============== 8697.39 LDB: =============== DONE WITH MIGRATION ================ 8697.39 PRESSURE: 2160400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2160400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2160400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2160400 0 0 0 0 0 0 0 0 0 TIMING: 2160400 CPU: 8694.83, 0.00394647/step Wall: 8694.83, 0.00394647/step, 0.372284 hours remaining, 114.421875 MB of memory in use. ENERGY: 2160400 658.7581 1844.3629 1933.3696 107.6664 -0.4438 -1041.4843 0.0000 0.0000 2764.5301 6266.7590 305.3501 3502.2289 6303.5833 303.9374 PRESSURE: 2160600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2160600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2160600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2160600 0 0 0 0 0 0 0 0 0 TIMING: 2160600 CPU: 8695.62, 0.00394358/step Wall: 8695.62, 0.00394358/step, 0.371792 hours remaining, 114.421875 MB of memory in use. ENERGY: 2160600 667.0677 1877.0676 1971.6453 111.9271 0.9577 -1084.8647 0.0000 0.0000 2694.7226 6238.5232 297.6396 3543.8006 6271.1939 301.8582 PRESSURE: 2160800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2160800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2160800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2160800 0 0 0 0 0 0 0 0 0 TIMING: 2160800 CPU: 8696.41, 0.00394238/step Wall: 8696.41, 0.00394238/step, 0.371459 hours remaining, 114.421875 MB of memory in use. ENERGY: 2160800 633.1439 1862.6835 1958.4267 105.6831 0.6965 -1091.0285 0.0000 0.0000 2742.0361 6211.6413 302.8655 3469.6052 6245.7944 299.8082 PRESSURE: 2161000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2161000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2161000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2161000 0 0 0 0 0 0 0 0 0 TIMING: 2161000 CPU: 8697.19, 0.00394152/step Wall: 8697.19, 0.00394152/step, 0.371159 hours remaining, 114.421875 MB of memory in use. ENERGY: 2161000 652.5192 1792.3010 1961.9701 110.5155 0.7167 -1081.1069 0.0000 0.0000 2761.8349 6198.7506 305.0524 3436.9157 6232.5949 300.4297 PRESSURE: 2161200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2161200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2161200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2161200 0 0 0 0 0 0 0 0 0 TIMING: 2161200 CPU: 8697.98, 0.00393572/step Wall: 8697.98, 0.00393572/step, 0.370395 hours remaining, 114.421875 MB of memory in use. ENERGY: 2161200 665.3361 1861.3142 1978.2935 114.7569 0.9478 -1078.8374 0.0000 0.0000 2695.7664 6237.5775 297.7549 3541.8111 6271.9857 301.4545 PRESSURE: 2161400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2161400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2161400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2161400 0 0 0 0 0 0 0 0 0 TIMING: 2161400 CPU: 8698.77, 0.0039571/step Wall: 8698.77, 0.0039571/step, 0.372187 hours remaining, 114.421875 MB of memory in use. ENERGY: 2161400 666.8767 1835.0041 1947.6743 107.8631 -0.4360 -1060.3416 0.0000 0.0000 2723.4778 6220.1186 300.8157 3496.6407 6252.2583 302.6564 PRESSURE: 2161600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2161600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2161600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2161600 0 0 0 0 0 0 0 0 0 TIMING: 2161600 CPU: 8699.56, 0.00394514/step Wall: 8699.56, 0.00394515/step, 0.370844 hours remaining, 114.421875 MB of memory in use. ENERGY: 2161600 639.7393 1852.7329 1952.1564 113.5522 -0.2842 -1034.3578 0.0000 0.0000 2721.3803 6244.9190 300.5840 3523.5388 6276.5446 300.2651 PRESSURE: 2161800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2161800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2161800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2161800 0 0 0 0 0 0 0 0 0 TIMING: 2161800 CPU: 8700.35, 0.00394073/step Wall: 8700.35, 0.00394073/step, 0.370209 hours remaining, 114.421875 MB of memory in use. ENERGY: 2161800 671.7727 1867.2053 1966.2611 102.1665 -0.6035 -1074.5869 0.0000 0.0000 2724.5817 6256.7969 300.9376 3532.2152 6291.8611 302.5300 PRESSURE: 2162000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2162000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2162000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2162000 0 0 0 0 0 0 0 0 0 TIMING: 2162000 CPU: 8701.14, 0.00394247/step Wall: 8701.14, 0.00394247/step, 0.370154 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2162000 647.9679 1828.0678 1956.5025 109.7311 -0.0081 -1039.9841 0.0000 0.0000 2772.8866 6275.1636 306.2730 3502.2770 6310.0607 302.9665 PRESSURE: 2162200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2162200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2162200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2162200 0 0 0 0 0 0 0 0 0 TIMING: 2162200 CPU: 8701.93, 0.00393933/step Wall: 8701.93, 0.00393933/step, 0.36964 hours remaining, 114.421875 MB of memory in use. ENERGY: 2162200 649.7118 1886.9260 1975.9990 115.9892 -0.7526 -1093.4666 0.0000 0.0000 2758.6610 6293.0677 304.7018 3534.4068 6327.9328 305.4924 PRESSURE: 2162400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2162400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2162400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2162400 0 0 0 0 0 0 0 0 0 TIMING: 2162400 CPU: 8702.72, 0.00394276/step Wall: 8702.72, 0.00394276/step, 0.369743 hours remaining, 114.421875 MB of memory in use. ENERGY: 2162400 672.4168 1869.0288 1959.8060 109.4775 1.1496 -1078.8557 0.0000 0.0000 2740.5998 6273.6228 302.7069 3533.0230 6307.7010 303.8971 PRESSURE: 2162600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2162600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2162600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2162600 0 0 0 0 0 0 0 0 0 TIMING: 2162600 CPU: 8703.5, 0.00394212/step Wall: 8703.5, 0.00394212/step, 0.369464 hours remaining, 114.421875 MB of memory in use. ENERGY: 2162600 658.4365 1869.5145 1940.2390 109.7009 0.8105 -1093.5591 0.0000 0.0000 2754.8770 6240.0193 304.2838 3485.1423 6273.3374 303.3861 PRESSURE: 2162800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2162800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2162800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2162800 0 0 0 0 0 0 0 0 0 TIMING: 2162800 CPU: 8704.29, 0.00394158/step Wall: 8704.29, 0.00394158/step, 0.369195 hours remaining, 114.421875 MB of memory in use. ENERGY: 2162800 653.6393 1862.8500 1969.8626 98.5563 1.0808 -1097.0948 0.0000 0.0000 2767.0716 6255.9659 305.6308 3488.8943 6285.4882 303.2214 PRESSURE: 2163000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2163000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2163000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2163000 0 0 0 0 0 0 0 0 0 TIMING: 2163000 CPU: 8705.08, 0.0039443/step Wall: 8705.08, 0.0039443/step, 0.36923 hours remaining, 114.421875 MB of memory in use. ENERGY: 2163000 672.1404 1813.6607 1959.2373 111.3224 0.1527 -1078.1522 0.0000 0.0000 2727.2990 6205.6604 301.2378 3478.3613 6237.4302 302.5484 PRESSURE: 2163200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2163200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2163200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2163200 0 0 0 0 0 0 0 0 0 TIMING: 2163200 CPU: 8705.87, 0.00393784/step Wall: 8705.87, 0.00393783/step, 0.368406 hours remaining, 114.421875 MB of memory in use. ENERGY: 2163200 646.2768 1806.6703 1985.8242 107.0538 0.4215 -1085.9759 0.0000 0.0000 2733.0778 6193.3486 301.8761 3460.2708 6228.4508 300.4277 PRESSURE: 2163400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2163400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2163400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2163400 0 0 0 0 0 0 0 0 0 TIMING: 2163400 CPU: 8706.66, 0.00394091/step Wall: 8706.66, 0.00394091/step, 0.368475 hours remaining, 114.421875 MB of memory in use. ENERGY: 2163400 669.9255 1865.0670 1950.3656 104.2536 0.0016 -1071.0135 0.0000 0.0000 2727.1144 6245.7141 301.2174 3518.5998 6280.4104 299.6165 PRESSURE: 2163600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2163600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2163600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2163600 0 0 0 0 0 0 0 0 0 TIMING: 2163600 CPU: 8707.44, 0.0039428/step Wall: 8707.44, 0.0039428/step, 0.368433 hours remaining, 114.421875 MB of memory in use. ENERGY: 2163600 692.1930 1838.0779 1961.6106 102.9562 0.8514 -1040.2703 0.0000 0.0000 2695.4555 6250.8744 297.7206 3555.4189 6284.9399 302.4809 PRESSURE: 2163800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2163800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2163800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2163800 0 0 0 0 0 0 0 0 0 TIMING: 2163800 CPU: 8708.23, 0.00394374/step Wall: 8708.23, 0.00394374/step, 0.368301 hours remaining, 114.421875 MB of memory in use. ENERGY: 2163800 642.7650 1827.5834 1967.0544 109.2294 0.4997 -1090.4911 0.0000 0.0000 2731.5860 6188.2269 301.7113 3456.6409 6224.1120 299.6266 PRESSURE: 2164000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2164000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2164000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2164000 0 0 0 0 0 0 0 0 0 TIMING: 2164000 CPU: 8709.02, 0.0039371/step Wall: 8709.02, 0.0039371/step, 0.367462 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2164000 644.2941 1849.4824 1966.1615 109.0010 0.8664 -1066.5458 0.0000 0.0000 2703.7615 6207.0211 298.6380 3503.2595 6239.7084 299.5281 PRESSURE: 2164200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2164200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2164200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2164200 0 0 0 0 0 0 0 0 0 TIMING: 2164200 CPU: 8709.81, 0.00394288/step Wall: 8709.81, 0.00394288/step, 0.367783 hours remaining, 114.421875 MB of memory in use. ENERGY: 2164200 649.8490 1887.0208 1924.0423 102.8766 1.0675 -1128.9494 0.0000 0.0000 2757.6975 6193.6044 304.5954 3435.9069 6226.2667 299.6706 LDB: ============= START OF LOAD BALANCING ============== 8712.77 LDB: ============== END OF LOAD BALANCING =============== 8712.77 LDB: =============== DONE WITH MIGRATION ================ 8712.77 LDB: ============= START OF LOAD BALANCING ============== 8713.16 LDB: ============== END OF LOAD BALANCING =============== 8713.16 LDB: =============== DONE WITH MIGRATION ================ 8713.16 PRESSURE: 2164400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2164400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2164400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2164400 0 0 0 0 0 0 0 0 0 TIMING: 2164400 CPU: 8710.6, 0.00394933/step Wall: 8710.6, 0.00394933/step, 0.368165 hours remaining, 114.421875 MB of memory in use. ENERGY: 2164400 670.8854 1838.1223 1955.8413 110.7075 -0.7145 -1077.6734 0.0000 0.0000 2766.6068 6263.7755 305.5794 3497.1687 6297.2505 302.2811 PRESSURE: 2164600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2164600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2164600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2164600 0 0 0 0 0 0 0 0 0 TIMING: 2164600 CPU: 8711.39, 0.00394464/step Wall: 8711.39, 0.00394464/step, 0.367509 hours remaining, 114.421875 MB of memory in use. ENERGY: 2164600 654.0347 1815.0985 1956.5611 112.6979 -1.1060 -1055.8060 0.0000 0.0000 2752.3233 6233.8037 304.0018 3481.4803 6267.9804 301.8490 PRESSURE: 2164800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2164800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2164800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2164800 0 0 0 0 0 0 0 0 0 TIMING: 2164800 CPU: 8712.18, 0.00394265/step Wall: 8712.18, 0.00394265/step, 0.367105 hours remaining, 114.421875 MB of memory in use. ENERGY: 2164800 675.6065 1855.0283 1976.7505 112.4082 -0.6606 -1081.0811 0.0000 0.0000 2723.0077 6261.0595 300.7638 3538.0517 6296.3356 303.0723 PRESSURE: 2165000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2165000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2165000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2165000 0 0 0 0 0 0 0 0 0 TIMING: 2165000 CPU: 8712.96, 0.00393764/step Wall: 8712.96, 0.00393764/step, 0.366419 hours remaining, 114.421875 MB of memory in use. ENERGY: 2165000 651.0357 1823.6765 1980.7112 112.7365 0.0987 -1079.6474 0.0000 0.0000 2727.7100 6216.3212 301.2832 3488.6112 6249.6995 301.5801 PRESSURE: 2165200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2165200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2165200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2165200 0 0 0 0 0 0 0 0 0 TIMING: 2165200 CPU: 8713.75, 0.00394408/step Wall: 8713.75, 0.00394408/step, 0.366799 hours remaining, 114.421875 MB of memory in use. ENERGY: 2165200 661.5248 1791.7036 1954.8005 114.3412 -0.2628 -1055.7040 0.0000 0.0000 2710.4045 6176.8078 299.3717 3466.4034 6209.2903 299.1270 PRESSURE: 2165400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2165400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2165400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2165400 0 0 0 0 0 0 0 0 0 TIMING: 2165400 CPU: 8714.54, 0.00394392/step Wall: 8714.54, 0.00394392/step, 0.366566 hours remaining, 114.421875 MB of memory in use. ENERGY: 2165400 637.2176 1843.1025 1931.3876 103.6939 0.5845 -1086.7598 0.0000 0.0000 2711.8305 6141.0569 299.5292 3429.2264 6173.4698 297.8320 PRESSURE: 2165600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2165600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2165600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2165600 0 0 0 0 0 0 0 0 0 TIMING: 2165600 CPU: 8715.33, 0.003943/step Wall: 8715.33, 0.003943/step, 0.366261 hours remaining, 114.421875 MB of memory in use. ENERGY: 2165600 696.2882 1764.3789 1962.5453 106.2808 -0.4687 -1106.0742 0.0000 0.0000 2671.7220 6094.6722 295.0991 3422.9502 6125.9785 295.7622 PRESSURE: 2165800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2165800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2165800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2165800 0 0 0 0 0 0 0 0 0 TIMING: 2165800 CPU: 8716.12, 0.00394493/step Wall: 8716.12, 0.00394493/step, 0.366221 hours remaining, 114.421875 MB of memory in use. ENERGY: 2165800 642.7469 1858.5519 1958.0858 106.8036 -0.3206 -1086.4550 0.0000 0.0000 2665.4721 6144.8845 294.4088 3479.4124 6175.9161 294.5848 PRESSURE: 2166000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2166000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2166000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2166000 0 0 0 0 0 0 0 0 0 TIMING: 2166000 CPU: 8716.91, 0.0039383/step Wall: 8716.91, 0.0039383/step, 0.365386 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2166000 650.3924 1875.8252 1934.5689 110.4553 -0.5133 -1069.5483 0.0000 0.0000 2653.8263 6155.0065 293.1225 3501.1802 6187.5545 296.8847 PRESSURE: 2166200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2166200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2166200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2166200 0 0 0 0 0 0 0 0 0 TIMING: 2166200 CPU: 8717.7, 0.00394631/step Wall: 8717.7, 0.00394631/step, 0.365911 hours remaining, 114.421875 MB of memory in use. ENERGY: 2166200 655.9981 1840.6480 1950.7722 95.0969 0.4706 -1078.3266 0.0000 0.0000 2707.1467 6171.8059 299.0119 3464.6593 6203.4080 298.2533 PRESSURE: 2166400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2166400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2166400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2166400 0 0 0 0 0 0 0 0 0 TIMING: 2166400 CPU: 8718.49, 0.00394577/step Wall: 8718.49, 0.00394577/step, 0.365641 hours remaining, 114.421875 MB of memory in use. ENERGY: 2166400 679.0977 1796.5630 1948.7395 104.5436 0.4479 -1121.0205 0.0000 0.0000 2743.6980 6152.0691 303.0491 3408.3711 6186.2407 297.1143 PRESSURE: 2166600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2166600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2166600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2166600 0 0 0 0 0 0 0 0 0 TIMING: 2166600 CPU: 8719.27, 0.00394592/step Wall: 8719.27, 0.00394592/step, 0.365436 hours remaining, 114.421875 MB of memory in use. ENERGY: 2166600 655.9746 1856.7692 1966.2361 112.6696 0.6207 -1095.8280 0.0000 0.0000 2674.2120 6170.6541 295.3742 3496.4421 6206.3661 297.8355 PRESSURE: 2166800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2166800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2166800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2166800 0 0 0 0 0 0 0 0 0 TIMING: 2166800 CPU: 8720.06, 0.00394158/step Wall: 8720.06, 0.00394158/step, 0.364815 hours remaining, 114.421875 MB of memory in use. ENERGY: 2166800 641.8414 1814.2855 1942.7227 106.8388 0.5392 -1082.8870 0.0000 0.0000 2721.4294 6144.7700 300.5895 3423.3406 6179.8269 299.1995 PRESSURE: 2167000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2167000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2167000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2167000 0 0 0 0 0 0 0 0 0 TIMING: 2167000 CPU: 8720.85, 0.00394427/step Wall: 8720.85, 0.00394427/step, 0.364845 hours remaining, 114.421875 MB of memory in use. ENERGY: 2167000 656.8525 1810.3537 1951.8560 114.8609 0.1603 -1093.9732 0.0000 0.0000 2733.5252 6173.6355 301.9255 3440.1103 6207.4452 298.0536 PRESSURE: 2167200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2167200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2167200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2167200 0 0 0 0 0 0 0 0 0 TIMING: 2167200 CPU: 8721.64, 0.00394577/step Wall: 8721.64, 0.00394577/step, 0.364765 hours remaining, 114.421875 MB of memory in use. ENERGY: 2167200 662.1289 1798.7171 1953.4523 115.4952 1.4000 -1055.9050 0.0000 0.0000 2647.3161 6122.6046 292.4034 3475.2885 6154.9176 295.9511 PRESSURE: 2167400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2167400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2167400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2167400 0 0 0 0 0 0 0 0 0 TIMING: 2167400 CPU: 8722.43, 0.00394375/step Wall: 8722.43, 0.00394375/step, 0.364359 hours remaining, 114.421875 MB of memory in use. ENERGY: 2167400 651.6279 1856.4857 1927.0125 100.1976 -0.9622 -1075.9324 0.0000 0.0000 2690.7075 6149.1365 297.1961 3458.4290 6182.2963 295.7875 PRESSURE: 2167600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2167600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2167600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2167600 0 0 0 0 0 0 0 0 0 TIMING: 2167600 CPU: 8723.22, 0.0039461/step Wall: 8723.22, 0.0039461/step, 0.364356 hours remaining, 114.421875 MB of memory in use. ENERGY: 2167600 635.3163 1808.5752 1959.4901 101.8383 0.9373 -1039.5719 0.0000 0.0000 2699.9715 6166.5569 298.2194 3466.5854 6201.0636 297.1981 PRESSURE: 2167800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2167800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2167800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2167800 0 0 0 0 0 0 0 0 0 TIMING: 2167800 CPU: 8724.01, 0.00393933/step Wall: 8724.01, 0.00393933/step, 0.363513 hours remaining, 114.421875 MB of memory in use. ENERGY: 2167800 665.2802 1912.4093 1940.5258 106.5462 0.5192 -1068.7672 0.0000 0.0000 2642.0007 6198.5142 291.8163 3556.5135 6229.5230 296.8213 PRESSURE: 2168000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2168000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2168000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2168000 0 0 0 0 0 0 0 0 0 TIMING: 2168000 CPU: 8724.8, 0.00394366/step Wall: 8724.8, 0.00394366/step, 0.363693 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2168000 661.3619 1851.4702 1966.3143 100.1005 -0.3325 -1082.2762 0.0000 0.0000 2723.8857 6220.5237 300.8608 3496.6380 6249.4951 299.0288 PRESSURE: 2168200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2168200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2168200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2168200 0 0 0 0 0 0 0 0 0 TIMING: 2168200 CPU: 8725.59, 0.00394748/step Wall: 8725.59, 0.00394748/step, 0.363826 hours remaining, 114.421875 MB of memory in use. ENERGY: 2168200 638.7648 1887.2501 1982.1675 107.1647 0.3171 -1059.3500 0.0000 0.0000 2674.2216 6230.5358 295.3752 3556.3142 6259.4322 301.4450 LDB: ============= START OF LOAD BALANCING ============== 8728.54 LDB: ============== END OF LOAD BALANCING =============== 8728.54 LDB: =============== DONE WITH MIGRATION ================ 8728.54 LDB: ============= START OF LOAD BALANCING ============== 8728.94 LDB: ============== END OF LOAD BALANCING =============== 8728.94 LDB: =============== DONE WITH MIGRATION ================ 8728.94 PRESSURE: 2168400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2168400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2168400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2168400 0 0 0 0 0 0 0 0 0 TIMING: 2168400 CPU: 8726.38, 0.00395223/step Wall: 8726.38, 0.00395223/step, 0.364044 hours remaining, 114.421875 MB of memory in use. ENERGY: 2168400 637.4977 1823.8818 1953.6250 101.8322 0.7905 -1053.5252 0.0000 0.0000 2701.2082 6165.3102 298.3560 3464.1020 6197.6416 300.8183 PRESSURE: 2168600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2168600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2168600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2168600 0 0 0 0 0 0 0 0 0 TIMING: 2168600 CPU: 8727.16, 0.00394511/step Wall: 8727.16, 0.00394511/step, 0.363169 hours remaining, 114.421875 MB of memory in use. ENERGY: 2168600 652.8081 1827.7460 1958.8336 104.1340 0.9436 -1074.8266 0.0000 0.0000 2696.7840 6166.4227 297.8673 3469.6387 6201.6620 296.9584 PRESSURE: 2168800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2168800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2168800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2168800 0 0 0 0 0 0 0 0 0 TIMING: 2168800 CPU: 8727.95, 0.00393898/step Wall: 8727.95, 0.00393898/step, 0.362386 hours remaining, 114.421875 MB of memory in use. ENERGY: 2168800 652.0625 1860.6888 1977.1375 102.4404 1.0782 -1075.5921 0.0000 0.0000 2662.7143 6180.5296 294.1042 3517.8153 6207.9840 297.7798 PRESSURE: 2169000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2169000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2169000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2169000 0 0 0 0 0 0 0 0 0 TIMING: 2169000 CPU: 8728.74, 0.0039441/step Wall: 8728.74, 0.0039441/step, 0.362638 hours remaining, 114.421875 MB of memory in use. ENERGY: 2169000 653.5528 1863.7797 1940.2194 111.9852 2.3385 -1068.4384 0.0000 0.0000 2718.2365 6221.6738 300.2368 3503.4372 6253.6406 298.8510 PRESSURE: 2169200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2169200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2169200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2169200 0 0 0 0 0 0 0 0 0 TIMING: 2169200 CPU: 8729.53, 0.00394624/step Wall: 8729.53, 0.00394624/step, 0.362615 hours remaining, 114.421875 MB of memory in use. ENERGY: 2169200 668.8883 1846.4094 1969.4880 103.8274 1.2650 -1100.8543 0.0000 0.0000 2651.5645 6140.5883 292.8727 3489.0238 6171.1659 299.1796 PRESSURE: 2169400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2169400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2169400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2169400 0 0 0 0 0 0 0 0 0 TIMING: 2169400 CPU: 8730.32, 0.00394585/step Wall: 8730.32, 0.00394585/step, 0.362361 hours remaining, 114.421875 MB of memory in use. ENERGY: 2169400 640.7118 1875.4482 1936.5564 106.3408 1.4897 -1098.3881 0.0000 0.0000 2706.0369 6168.1957 298.8893 3462.1587 6201.5501 298.7135 PRESSURE: 2169600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2169600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2169600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2169600 0 0 0 0 0 0 0 0 0 TIMING: 2169600 CPU: 8731.11, 0.00394699/step Wall: 8731.11, 0.00394699/step, 0.362246 hours remaining, 114.421875 MB of memory in use. ENERGY: 2169600 674.0974 1874.4691 1929.6807 111.1852 1.6936 -1079.6486 0.0000 0.0000 2679.6377 6191.1150 295.9734 3511.4774 6223.4048 298.6343 PRESSURE: 2169800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2169800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2169800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2169800 0 0 0 0 0 0 0 0 0 TIMING: 2169800 CPU: 8731.9, 0.00394047/step Wall: 8731.9, 0.00394047/step, 0.361429 hours remaining, 114.421875 MB of memory in use. ENERGY: 2169800 698.9598 1872.6218 1937.2596 94.8942 -0.2746 -1058.0587 0.0000 0.0000 2680.7797 6226.1818 296.0996 3545.4020 6259.6258 299.7816 PRESSURE: 2170000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2170000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2170000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2170000 0 0 0 0 0 0 0 0 0 TIMING: 2170000 CPU: 8732.69, 0.00394673/step Wall: 8732.69, 0.00394673/step, 0.361784 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2170000 687.6424 1847.6157 1944.0134 117.8545 -0.6412 -1102.6159 0.0000 0.0000 2683.7848 6177.6536 296.4315 3493.8689 6207.4632 299.5718 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2170000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2170000 WRITING COORDINATES TO RESTART FILE AT STEP 2170000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2170000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2170200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2170200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2170200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2170200 0 0 0 0 0 0 0 0 0 TIMING: 2170200 CPU: 8734.29, 0.0080318/step Wall: 8734.29, 0.0080318/step, 0.735802 hours remaining, 114.421875 MB of memory in use. ENERGY: 2170200 648.3385 1886.7024 1944.9615 105.9367 -0.5294 -1079.5425 0.0000 0.0000 2648.0808 6153.9480 292.4879 3505.8672 6185.8856 297.1453 PRESSURE: 2170400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2170400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2170400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2170400 0 0 0 0 0 0 0 0 0 TIMING: 2170400 CPU: 8735.09, 0.00396011/step Wall: 8735.09, 0.00396011/step, 0.362571 hours remaining, 114.421875 MB of memory in use. ENERGY: 2170400 694.5297 1832.6515 1927.0591 103.4603 -0.6745 -1077.3339 0.0000 0.0000 2713.2510 6192.9433 299.6861 3479.6923 6224.9076 298.8720 PRESSURE: 2170600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2170600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2170600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2170600 0 0 0 0 0 0 0 0 0 TIMING: 2170600 CPU: 8735.88, 0.00395961/step Wall: 8735.88, 0.00395961/step, 0.362304 hours remaining, 114.421875 MB of memory in use. ENERGY: 2170600 650.7152 1865.5987 1961.8331 107.9630 -1.1701 -1086.3655 0.0000 0.0000 2676.6972 6175.2715 295.6487 3498.5743 6207.3617 298.8970 PRESSURE: 2170800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2170800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2170800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2170800 0 0 0 0 0 0 0 0 0 TIMING: 2170800 CPU: 8736.67, 0.00395878/step Wall: 8736.67, 0.00395878/step, 0.362009 hours remaining, 114.421875 MB of memory in use. ENERGY: 2170800 673.6514 1864.5519 1929.9568 106.3875 -0.2570 -1104.1989 0.0000 0.0000 2717.3580 6187.4496 300.1398 3470.0916 6223.6219 298.9380 PRESSURE: 2171000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2171000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2171000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2171000 0 0 0 0 0 0 0 0 0 TIMING: 2171000 CPU: 8737.46, 0.00396/step Wall: 8737.46, 0.00396/step, 0.3619 hours remaining, 114.421875 MB of memory in use. ENERGY: 2171000 654.0168 1879.4492 1946.3230 95.5183 0.0292 -1096.2175 0.0000 0.0000 2761.0540 6240.1730 304.9661 3479.1190 6273.6641 302.1170 PRESSURE: 2171200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2171200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2171200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2171200 0 0 0 0 0 0 0 0 0 TIMING: 2171200 CPU: 8738.26, 0.00397816/step Wall: 8738.26, 0.00397816/step, 0.363338 hours remaining, 114.421875 MB of memory in use. ENERGY: 2171200 646.0614 1833.9630 1945.7558 102.4147 0.7678 -1058.9961 0.0000 0.0000 2717.1200 6187.0866 300.1135 3469.9666 6218.4479 301.9612 PRESSURE: 2171400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2171400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2171400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2171400 0 0 0 0 0 0 0 0 0 TIMING: 2171400 CPU: 8739.05, 0.00395489/step Wall: 8739.05, 0.00395489/step, 0.360993 hours remaining, 114.421875 MB of memory in use. ENERGY: 2171400 639.2684 1847.0384 1944.6699 118.0548 -0.7108 -1064.7578 0.0000 0.0000 2649.3400 6132.9028 292.6270 3483.5629 6164.5843 298.7768 PRESSURE: 2171600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2171600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2171600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2171600 0 0 0 0 0 0 0 0 0 TIMING: 2171600 CPU: 8739.84, 0.00395803/step Wall: 8739.84, 0.00395804/step, 0.361061 hours remaining, 114.421875 MB of memory in use. ENERGY: 2171600 672.6659 1830.7260 1930.3176 107.3425 0.5293 -1075.4303 0.0000 0.0000 2682.3592 6148.5102 296.2740 3466.1510 6181.8695 296.4610 PRESSURE: 2171800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2171800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2171800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2171800 0 0 0 0 0 0 0 0 0 TIMING: 2171800 CPU: 8740.63, 0.00396073/step Wall: 8740.63, 0.00396073/step, 0.361086 hours remaining, 114.421875 MB of memory in use. ENERGY: 2171800 675.9631 1850.6469 1939.2817 100.8308 1.3885 -1058.0708 0.0000 0.0000 2668.3832 6178.4234 294.7304 3510.0402 6209.3744 298.0410 PRESSURE: 2172000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2172000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2172000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2172000 0 0 0 0 0 0 0 0 0 TIMING: 2172000 CPU: 8741.42, 0.00396077/step Wall: 8741.42, 0.00396077/step, 0.36087 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2172000 650.5852 1838.6757 1937.6998 103.5302 2.3710 -1063.5110 0.0000 0.0000 2660.1528 6129.5037 293.8213 3469.3508 6164.7360 296.3948 PRESSURE: 2172200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2172200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2172200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2172200 0 0 0 0 0 0 0 0 0 TIMING: 2172200 CPU: 8742.21, 0.00395083/step Wall: 8742.21, 0.00395083/step, 0.359745 hours remaining, 114.421875 MB of memory in use. ENERGY: 2172200 678.3222 1820.4487 1941.2023 103.9019 2.7500 -1108.2076 0.0000 0.0000 2694.2111 6132.6286 297.5831 3438.4175 6163.2983 296.4687 LDB: ============= START OF LOAD BALANCING ============== 8745.17 LDB: ============== END OF LOAD BALANCING =============== 8745.17 LDB: =============== DONE WITH MIGRATION ================ 8745.17 LDB: ============= START OF LOAD BALANCING ============== 8745.57 LDB: ============== END OF LOAD BALANCING =============== 8745.57 LDB: =============== DONE WITH MIGRATION ================ 8745.57 PRESSURE: 2172400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2172400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2172400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2172400 0 0 0 0 0 0 0 0 0 TIMING: 2172400 CPU: 8743, 0.00394737/step Wall: 8743, 0.00394737/step, 0.359211 hours remaining, 114.421875 MB of memory in use. ENERGY: 2172400 632.1586 1807.9605 1931.7930 119.1111 0.7051 -1067.6567 0.0000 0.0000 2726.2808 6150.3524 301.1253 3424.0717 6183.8118 297.1264 PRESSURE: 2172600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2172600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2172600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2172600 0 0 0 0 0 0 0 0 0 TIMING: 2172600 CPU: 8743.79, 0.00394659/step Wall: 8743.79, 0.00394659/step, 0.35892 hours remaining, 114.421875 MB of memory in use. ENERGY: 2172600 641.3439 1811.9868 1958.3956 113.1319 1.8827 -1074.4329 0.0000 0.0000 2650.1456 6102.4536 292.7160 3452.3080 6135.3783 295.7854 PRESSURE: 2172800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2172800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2172800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2172800 0 0 0 0 0 0 0 0 0 TIMING: 2172800 CPU: 8744.58, 0.0039471/step Wall: 8744.58, 0.0039471/step, 0.358748 hours remaining, 114.421875 MB of memory in use. ENERGY: 2172800 711.1421 1862.4526 1955.4112 108.2686 1.4291 -1112.5232 0.0000 0.0000 2647.1233 6173.3035 292.3821 3526.1803 6205.0328 297.8507 PRESSURE: 2173000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2173000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2173000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2173000 0 0 0 0 0 0 0 0 0 TIMING: 2173000 CPU: 8745.37, 0.00394786/step Wall: 8745.37, 0.00394785/step, 0.358596 hours remaining, 114.421875 MB of memory in use. ENERGY: 2173000 651.6162 1814.1696 1979.4932 109.2577 0.4880 -1075.2664 0.0000 0.0000 2685.3150 6165.0733 296.6005 3479.7584 6197.0720 299.5497 PRESSURE: 2173200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2173200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2173200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2173200 0 0 0 0 0 0 0 0 0 TIMING: 2173200 CPU: 8746.16, 0.00395972/step Wall: 8746.16, 0.00395972/step, 0.359455 hours remaining, 114.421875 MB of memory in use. ENERGY: 2173200 642.6254 1823.2320 1963.6454 124.7850 1.1043 -1076.6225 0.0000 0.0000 2681.0664 6159.8360 296.1313 3478.7696 6191.6917 299.4302 PRESSURE: 2173400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2173400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2173400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2173400 0 0 0 0 0 0 0 0 0 TIMING: 2173400 CPU: 8746.95, 0.0039451/step Wall: 8746.95, 0.0039451/step, 0.357908 hours remaining, 114.421875 MB of memory in use. ENERGY: 2173400 640.0907 1856.2893 1954.2548 102.8492 0.1709 -1124.8128 0.0000 0.0000 2658.5350 6087.3771 293.6426 3428.8421 6119.6172 296.8885 PRESSURE: 2173600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2173600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2173600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2173600 0 0 0 0 0 0 0 0 0 TIMING: 2173600 CPU: 8747.74, 0.00394787/step Wall: 8747.74, 0.00394787/step, 0.35794 hours remaining, 114.421875 MB of memory in use. ENERGY: 2173600 627.6370 1821.5880 1908.9402 113.8836 1.0935 -1098.9561 0.0000 0.0000 2703.1457 6077.3319 298.5700 3374.1862 6111.1885 294.8075 PRESSURE: 2173800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2173800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2173800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2173800 0 0 0 0 0 0 0 0 0 TIMING: 2173800 CPU: 8748.53, 0.00394603/step Wall: 8748.53, 0.00394603/step, 0.357555 hours remaining, 114.421875 MB of memory in use. ENERGY: 2173800 672.7774 1838.6116 1932.0023 103.8930 0.6225 -1118.6607 0.0000 0.0000 2633.7990 6063.0451 290.9104 3429.2461 6092.8984 295.9301 PRESSURE: 2174000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2174000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2174000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2174000 0 0 0 0 0 0 0 0 0 TIMING: 2174000 CPU: 8749.32, 0.00394636/step Wall: 8749.32, 0.00394636/step, 0.357365 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2174000 639.8783 1825.0316 1945.8425 112.2558 -0.3601 -1100.0376 0.0000 0.0000 2663.9899 6086.6005 294.2451 3422.6106 6115.6371 293.2922 PRESSURE: 2174200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2174200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2174200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2174200 0 0 0 0 0 0 0 0 0 TIMING: 2174200 CPU: 8750.11, 0.00394294/step Wall: 8750.11, 0.00394294/step, 0.356836 hours remaining, 114.421875 MB of memory in use. ENERGY: 2174200 649.7228 1759.6792 1969.1819 114.7464 -0.7963 -1066.3732 0.0000 0.0000 2675.6842 6101.8449 295.5368 3426.1607 6135.1298 295.4184 PRESSURE: 2174400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2174400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2174400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2174400 0 0 0 0 0 0 0 0 0 TIMING: 2174400 CPU: 8750.9, 0.0039455/step Wall: 8750.9, 0.0039455/step, 0.356849 hours remaining, 114.421875 MB of memory in use. ENERGY: 2174400 644.3277 1871.9740 1934.6942 116.3076 0.5186 -1104.5549 0.0000 0.0000 2663.2169 6126.4840 294.1597 3463.2671 6159.4024 294.4596 PRESSURE: 2174600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2174600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2174600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2174600 0 0 0 0 0 0 0 0 0 TIMING: 2174600 CPU: 8751.69, 0.0039461/step Wall: 8751.69, 0.0039461/step, 0.356684 hours remaining, 114.421875 MB of memory in use. ENERGY: 2174600 634.1016 1824.9391 1951.7566 105.2309 0.5005 -1064.8038 0.0000 0.0000 2680.1698 6131.8947 296.0322 3451.7249 6164.1197 295.9999 PRESSURE: 2174800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2174800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2174800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2174800 0 0 0 0 0 0 0 0 0 TIMING: 2174800 CPU: 8752.48, 0.00394646/step Wall: 8752.48, 0.00394646/step, 0.356497 hours remaining, 114.421875 MB of memory in use. ENERGY: 2174800 653.3712 1853.4143 1941.1433 110.8557 -0.2742 -1075.8294 0.0000 0.0000 2674.8180 6157.4989 295.4411 3482.6809 6189.2468 298.3545 PRESSURE: 2175000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2175000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2175000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2175000 0 0 0 0 0 0 0 0 0 TIMING: 2175000 CPU: 8753.27, 0.00394641/step Wall: 8753.27, 0.00394641/step, 0.356273 hours remaining, 114.421875 MB of memory in use. ENERGY: 2175000 648.6618 1831.0004 1952.9246 116.9188 1.1135 -1103.0295 0.0000 0.0000 2679.1356 6126.7253 295.9180 3447.5896 6161.4955 297.6139 PRESSURE: 2175200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2175200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2175200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2175200 0 0 0 0 0 0 0 0 0 TIMING: 2175200 CPU: 8754.05, 0.00394164/step Wall: 8754.05, 0.00394164/step, 0.355624 hours remaining, 114.421875 MB of memory in use. ENERGY: 2175200 661.1632 1861.3428 1935.6474 103.1318 0.7424 -1069.3995 0.0000 0.0000 2628.9457 6121.5736 290.3744 3492.6280 6150.2288 294.7138 PRESSURE: 2175400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2175400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2175400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2175400 0 0 0 0 0 0 0 0 0 TIMING: 2175400 CPU: 8754.84, 0.0039449/step Wall: 8754.84, 0.0039449/step, 0.355698 hours remaining, 114.421875 MB of memory in use. ENERGY: 2175400 649.1805 1876.1485 1905.8192 117.1826 0.9473 -1110.5981 0.0000 0.0000 2665.9812 6104.6612 294.4651 3438.6800 6135.3633 295.3388 PRESSURE: 2175600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2175600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2175600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2175600 0 0 0 0 0 0 0 0 0 TIMING: 2175600 CPU: 8755.63, 0.00394986/step Wall: 8755.63, 0.00394986/step, 0.355926 hours remaining, 114.421875 MB of memory in use. ENERGY: 2175600 664.0081 1858.2346 1944.6485 109.2055 3.3801 -1074.2255 0.0000 0.0000 2622.3926 6127.6438 289.6506 3505.2512 6159.4690 296.5298 PRESSURE: 2175800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2175800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2175800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2175800 0 0 0 0 0 0 0 0 0 TIMING: 2175800 CPU: 8756.42, 0.00395705/step Wall: 8756.42, 0.00395705/step, 0.356354 hours remaining, 114.421875 MB of memory in use. ENERGY: 2175800 637.3126 1840.5658 1953.1592 104.9509 0.7184 -1067.0133 0.0000 0.0000 2690.4132 6160.1069 297.1636 3469.6936 6191.6692 297.2443 PRESSURE: 2176000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2176000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2176000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2176000 0 0 0 0 0 0 0 0 0 TIMING: 2176000 CPU: 8757.22, 0.00395792/step Wall: 8757.22, 0.00395792/step, 0.356213 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2176000 657.8264 1850.7265 1949.0033 89.6178 2.1574 -1115.3733 0.0000 0.0000 2674.4949 6108.4531 295.4054 3433.9583 6142.3624 296.8149 PRESSURE: 2176200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2176200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2176200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2176200 0 0 0 0 0 0 0 0 0 TIMING: 2176200 CPU: 8758.01, 0.00395429/step Wall: 8758.01, 0.00395429/step, 0.355666 hours remaining, 114.421875 MB of memory in use. ENERGY: 2176200 674.2574 1838.4137 1920.9265 108.4842 2.8796 -1105.7355 0.0000 0.0000 2684.8826 6124.1085 296.5528 3439.2260 6154.9567 295.8523 LDB: ============= START OF LOAD BALANCING ============== 8760.97 LDB: ============== END OF LOAD BALANCING =============== 8760.97 LDB: =============== DONE WITH MIGRATION ================ 8760.97 LDB: ============= START OF LOAD BALANCING ============== 8761.36 LDB: ============== END OF LOAD BALANCING =============== 8761.36 LDB: =============== DONE WITH MIGRATION ================ 8761.36 PRESSURE: 2176400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2176400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2176400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2176400 0 0 0 0 0 0 0 0 0 TIMING: 2176400 CPU: 8758.8, 0.00396291/step Wall: 8758.8, 0.00396292/step, 0.356222 hours remaining, 114.421875 MB of memory in use. ENERGY: 2176400 609.8628 1823.7449 1953.6553 111.8734 1.6556 -1069.1167 0.0000 0.0000 2672.0897 6103.7649 295.1397 3431.6752 6136.7878 293.8562 PRESSURE: 2176600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2176600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2176600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2176600 0 0 0 0 0 0 0 0 0 TIMING: 2176600 CPU: 8759.59, 0.00395949/step Wall: 8759.59, 0.00395949/step, 0.355695 hours remaining, 114.421875 MB of memory in use. ENERGY: 2176600 636.1751 1876.9062 1983.7872 94.4915 0.8922 -1125.2823 0.0000 0.0000 2651.2657 6118.2357 292.8397 3466.9700 6150.3840 294.1054 PRESSURE: 2176800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2176800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2176800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2176800 0 0 0 0 0 0 0 0 0 TIMING: 2176800 CPU: 8760.38, 0.00395907/step Wall: 8760.38, 0.00395907/step, 0.355437 hours remaining, 114.421875 MB of memory in use. ENERGY: 2176800 634.7775 1865.9279 1921.8009 101.0337 1.3122 -1081.2311 0.0000 0.0000 2719.9970 6163.6181 300.4312 3443.6211 6198.2220 296.7756 PRESSURE: 2177000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2177000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2177000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2177000 0 0 0 0 0 0 0 0 0 TIMING: 2177000 CPU: 8762.08, 0.00848655/step Wall: 8762.08, 0.00848654/step, 0.761431 hours remaining, 114.421875 MB of memory in use. ENERGY: 2177000 638.2711 1839.0377 1950.2121 104.1286 -0.4446 -1106.8080 0.0000 0.0000 2710.4556 6134.8526 299.3774 3424.3970 6170.3153 297.0888 PRESSURE: 2177200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2177200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2177200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2177200 0 0 0 0 0 0 0 0 0 TIMING: 2177200 CPU: 8762.89, 0.00403721/step Wall: 8762.89, 0.00403721/step, 0.362004 hours remaining, 114.421875 MB of memory in use. ENERGY: 2177200 638.7533 1833.6036 1946.6029 111.6551 0.8759 -1084.0601 0.0000 0.0000 2705.9525 6153.3832 298.8800 3447.4307 6183.1649 295.9565 PRESSURE: 2177400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2177400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2177400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2177400 0 0 0 0 0 0 0 0 0 TIMING: 2177400 CPU: 8763.68, 0.00394739/step Wall: 8763.68, 0.00394739/step, 0.35373 hours remaining, 114.421875 MB of memory in use. ENERGY: 2177400 623.2640 1888.3205 1968.3545 114.6264 0.6910 -1094.5418 0.0000 0.0000 2652.5864 6153.3009 292.9856 3500.7145 6184.8945 298.5595 PRESSURE: 2177600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2177600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2177600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2177600 0 0 0 0 0 0 0 0 0 TIMING: 2177600 CPU: 8764.47, 0.00394585/step Wall: 8764.47, 0.00394585/step, 0.353373 hours remaining, 114.421875 MB of memory in use. ENERGY: 2177600 641.8836 1768.6415 1938.2371 111.5824 0.4986 -1065.6419 0.0000 0.0000 2728.4239 6123.6252 301.3620 3395.2013 6158.0277 297.3697 PRESSURE: 2177800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2177800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2177800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2177800 0 0 0 0 0 0 0 0 0 TIMING: 2177800 CPU: 8765.26, 0.00394648/step Wall: 8765.26, 0.00394648/step, 0.35321 hours remaining, 114.421875 MB of memory in use. ENERGY: 2177800 647.1066 1813.2320 1938.5798 101.0088 -0.0264 -1061.3285 0.0000 0.0000 2729.3723 6167.9446 301.4668 3438.5723 6200.4116 298.5324 PRESSURE: 2178000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2178000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2178000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2178000 0 0 0 0 0 0 0 0 0 TIMING: 2178000 CPU: 8766.04, 0.00394227/step Wall: 8766.04, 0.00394227/step, 0.352614 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2178000 639.9768 1814.5557 1934.4581 103.8569 -0.1760 -1082.8253 0.0000 0.0000 2730.5347 6140.3809 301.5952 3409.8461 6174.8701 297.2687 PRESSURE: 2178200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2178200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2178200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2178200 0 0 0 0 0 0 0 0 0 TIMING: 2178200 CPU: 8766.83, 0.00394526/step Wall: 8766.83, 0.00394526/step, 0.352662 hours remaining, 114.421875 MB of memory in use. ENERGY: 2178200 649.3332 1818.7176 1971.6184 114.3159 0.2176 -1054.9534 0.0000 0.0000 2677.6003 6176.8496 295.7484 3499.2493 6208.5837 297.5437 PRESSURE: 2178400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2178400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2178400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2178400 0 0 0 0 0 0 0 0 0 TIMING: 2178400 CPU: 8767.62, 0.00394442/step Wall: 8767.62, 0.00394442/step, 0.352368 hours remaining, 114.421875 MB of memory in use. ENERGY: 2178400 642.0512 1841.2457 1950.5579 103.8735 0.2888 -1080.7002 0.0000 0.0000 2709.7744 6167.0912 299.3021 3457.3168 6200.5181 296.4295 PRESSURE: 2178600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2178600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2178600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2178600 0 0 0 0 0 0 0 0 0 TIMING: 2178600 CPU: 8768.41, 0.00394508/step Wall: 8768.41, 0.00394508/step, 0.352208 hours remaining, 114.421875 MB of memory in use. ENERGY: 2178600 663.7143 1875.5489 1944.9890 96.9178 0.6768 -1073.9612 0.0000 0.0000 2715.2894 6223.1750 299.9113 3507.8856 6256.0740 299.0553 PRESSURE: 2178800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2178800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2178800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2178800 0 0 0 0 0 0 0 0 0 TIMING: 2178800 CPU: 8769.2, 0.00394409/step Wall: 8769.2, 0.00394409/step, 0.351901 hours remaining, 114.421875 MB of memory in use. ENERGY: 2178800 672.0883 1809.8323 1961.3791 122.9034 0.3509 -1084.6593 0.0000 0.0000 2691.0399 6172.9346 297.2328 3481.8948 6204.9449 298.1082 PRESSURE: 2179000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2179000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2179000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2179000 0 0 0 0 0 0 0 0 0 TIMING: 2179000 CPU: 8769.99, 0.00393965/step Wall: 8769.99, 0.00393965/step, 0.351285 hours remaining, 114.421875 MB of memory in use. ENERGY: 2179000 672.5951 1880.2069 1957.6180 109.3244 -0.3613 -1091.4554 0.0000 0.0000 2694.6555 6222.5830 297.6322 3527.9275 6256.1719 298.7573 PRESSURE: 2179200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2179200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2179200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2179200 0 0 0 0 0 0 0 0 0 TIMING: 2179200 CPU: 8770.78, 0.00394512/step Wall: 8770.78, 0.00394512/step, 0.351554 hours remaining, 114.421875 MB of memory in use. ENERGY: 2179200 674.2202 1798.7083 1962.4285 98.6035 0.7084 -1072.9680 0.0000 0.0000 2749.4821 6211.1830 303.6880 3461.7009 6246.4678 301.1707 PRESSURE: 2179400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2179400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2179400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2179400 0 0 0 0 0 0 0 0 0 TIMING: 2179400 CPU: 8771.57, 0.00394441/step Wall: 8771.57, 0.00394441/step, 0.351272 hours remaining, 114.421875 MB of memory in use. ENERGY: 2179400 638.9331 1892.1998 1938.3894 107.1192 0.3986 -1088.6030 0.0000 0.0000 2719.0793 6207.5165 300.3299 3488.4372 6242.0597 300.5606 PRESSURE: 2179600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2179600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2179600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2179600 0 0 0 0 0 0 0 0 0 TIMING: 2179600 CPU: 8772.35, 0.00394381/step Wall: 8772.35, 0.00394381/step, 0.350999 hours remaining, 114.421875 MB of memory in use. ENERGY: 2179600 673.5436 1888.7090 1949.9779 111.2190 1.3456 -1088.1458 0.0000 0.0000 2692.8957 6229.5449 297.4378 3536.6492 6260.6852 301.3821 PRESSURE: 2179800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2179800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2179800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2179800 0 0 0 0 0 0 0 0 0 TIMING: 2179800 CPU: 8773.14, 0.00394133/step Wall: 8773.14, 0.00394132/step, 0.350559 hours remaining, 114.421875 MB of memory in use. ENERGY: 2179800 676.3192 1848.5951 1960.4809 104.7866 1.7680 -1103.6944 0.0000 0.0000 2735.1608 6223.4162 302.1061 3488.2554 6257.6245 300.6585 PRESSURE: 2180000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2180000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2180000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2180000 0 0 0 0 0 0 0 0 0 TIMING: 2180000 CPU: 8773.93, 0.00395064/step Wall: 8773.93, 0.00395065/step, 0.351169 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2180000 651.4539 1855.2620 1973.3365 112.9149 0.9682 -1064.5436 0.0000 0.0000 2736.5799 6265.9718 302.2629 3529.3919 6301.1404 303.1263 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2180000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2180000 WRITING COORDINATES TO RESTART FILE AT STEP 2180000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2180000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2180200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2180200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2180200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2180200 0 0 0 0 0 0 0 0 0 TIMING: 2180200 CPU: 8775.26, 0.00662196/step Wall: 8775.26, 0.00662196/step, 0.588251 hours remaining, 114.421875 MB of memory in use. ENERGY: 2180200 641.8523 1911.0384 1963.3397 114.8589 2.2320 -1082.7141 0.0000 0.0000 2730.9248 6281.5320 301.6383 3550.6072 6313.6272 302.1582 LDB: ============= START OF LOAD BALANCING ============== 8778.22 LDB: ============== END OF LOAD BALANCING =============== 8778.22 LDB: =============== DONE WITH MIGRATION ================ 8778.22 LDB: ============= START OF LOAD BALANCING ============== 8778.61 LDB: ============== END OF LOAD BALANCING =============== 8778.61 LDB: =============== DONE WITH MIGRATION ================ 8778.61 PRESSURE: 2180400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2180400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2180400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2180400 0 0 0 0 0 0 0 0 0 TIMING: 2180400 CPU: 8776.05, 0.00395243/step Wall: 8776.05, 0.00395243/step, 0.350888 hours remaining, 114.421875 MB of memory in use. ENERGY: 2180400 641.8126 1858.2398 1939.5717 115.4778 0.2654 -1065.1807 0.0000 0.0000 2733.5261 6223.7127 301.9256 3490.1866 6256.2018 302.7030 PRESSURE: 2180600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2180600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2180600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2180600 0 0 0 0 0 0 0 0 0 TIMING: 2180600 CPU: 8776.84, 0.00394428/step Wall: 8776.84, 0.00394428/step, 0.349945 hours remaining, 114.421875 MB of memory in use. ENERGY: 2180600 642.6177 1777.6614 1972.6859 111.8231 -0.9581 -1070.9643 0.0000 0.0000 2747.1036 6179.9693 303.4252 3432.8656 6215.4496 300.5688 PRESSURE: 2180800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2180800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2180800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2180800 0 0 0 0 0 0 0 0 0 TIMING: 2180800 CPU: 8777.63, 0.00394455/step Wall: 8777.63, 0.00394455/step, 0.34975 hours remaining, 114.421875 MB of memory in use. ENERGY: 2180800 668.1731 1841.7762 1952.7321 110.1203 1.1429 -1095.4806 0.0000 0.0000 2711.5901 6190.0542 299.5027 3478.4642 6222.5261 297.9086 PRESSURE: 2181000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2181000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2181000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2181000 0 0 0 0 0 0 0 0 0 TIMING: 2181000 CPU: 8778.41, 0.00394515/step Wall: 8778.41, 0.00394515/step, 0.349584 hours remaining, 114.421875 MB of memory in use. ENERGY: 2181000 654.4318 1873.6974 1940.2760 107.4092 1.8797 -1086.7554 0.0000 0.0000 2679.0021 6169.9408 295.9032 3490.9387 6203.4800 297.5658 PRESSURE: 2181200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2181200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2181200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2181200 0 0 0 0 0 0 0 0 0 TIMING: 2181200 CPU: 8779.2, 0.00393866/step Wall: 8779.2, 0.00393866/step, 0.34879 hours remaining, 114.421875 MB of memory in use. ENERGY: 2181200 666.0249 1841.4532 1954.5978 108.9681 1.4314 -1031.7191 0.0000 0.0000 2666.1534 6206.9097 294.4841 3540.7563 6237.5091 299.0805 PRESSURE: 2181400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2181400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2181400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2181400 0 0 0 0 0 0 0 0 0 TIMING: 2181400 CPU: 8779.99, 0.00394101/step Wall: 8779.99, 0.00394101/step, 0.348779 hours remaining, 114.421875 MB of memory in use. ENERGY: 2181400 678.6395 1785.9650 1983.4763 103.5205 1.7195 -1057.9129 0.0000 0.0000 2727.0373 6222.4452 301.2089 3495.4079 6254.8048 300.2906 PRESSURE: 2181600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2181600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2181600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2181600 0 0 0 0 0 0 0 0 0 TIMING: 2181600 CPU: 8780.78, 0.00394193/step Wall: 8780.78, 0.00394193/step, 0.348642 hours remaining, 114.421875 MB of memory in use. ENERGY: 2181600 631.8159 1923.8150 1952.4574 106.8885 1.9989 -1077.1439 0.0000 0.0000 2744.0300 6283.8618 303.0858 3539.8317 6316.0536 301.5237 PRESSURE: 2181800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2181800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2181800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2181800 0 0 0 0 0 0 0 0 0 TIMING: 2181800 CPU: 8781.57, 0.00394183/step Wall: 8781.57, 0.00394183/step, 0.348414 hours remaining, 114.421875 MB of memory in use. ENERGY: 2181800 664.3232 1839.9634 1980.8233 122.4432 0.9111 -1054.3445 0.0000 0.0000 2722.3733 6276.4931 300.6937 3554.1198 6307.9959 303.0549 PRESSURE: 2182000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2182000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2182000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2182000 0 0 0 0 0 0 0 0 0 TIMING: 2182000 CPU: 8782.36, 0.00394176/step Wall: 8782.36, 0.00394176/step, 0.348189 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2182000 699.0483 1844.8973 1988.4272 106.7178 1.9614 -1093.8189 0.0000 0.0000 2708.0099 6255.2428 299.1072 3547.2330 6289.3020 303.4820 PRESSURE: 2182200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2182200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2182200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2182200 0 0 0 0 0 0 0 0 0 TIMING: 2182200 CPU: 8783.14, 0.00394041/step Wall: 8783.14, 0.00394041/step, 0.347851 hours remaining, 114.421875 MB of memory in use. ENERGY: 2182200 640.9302 1827.2484 1966.2826 114.6099 0.6455 -1084.2191 0.0000 0.0000 2743.6292 6209.1266 303.0415 3465.4974 6240.8077 300.8449 PRESSURE: 2182400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2182400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2182400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2182400 0 0 0 0 0 0 0 0 0 TIMING: 2182400 CPU: 8783.93, 0.00394132/step Wall: 8783.93, 0.00394132/step, 0.347712 hours remaining, 114.421875 MB of memory in use. ENERGY: 2182400 636.2388 1861.4579 1965.9504 123.4616 2.4185 -1066.7663 0.0000 0.0000 2692.2621 6215.0231 297.3679 3522.7610 6245.5481 300.2462 PRESSURE: 2182600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2182600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2182600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2182600 0 0 0 0 0 0 0 0 0 TIMING: 2182600 CPU: 8784.72, 0.0039413/step Wall: 8784.72, 0.0039413/step, 0.347492 hours remaining, 114.421875 MB of memory in use. ENERGY: 2182600 658.8031 1871.9119 1964.1054 121.6176 0.8265 -1068.1828 0.0000 0.0000 2649.2217 6198.3033 292.6139 3549.0816 6230.8903 299.7578 PRESSURE: 2182800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2182800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2182800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2182800 0 0 0 0 0 0 0 0 0 TIMING: 2182800 CPU: 8785.51, 0.00394394/step Wall: 8785.51, 0.00394394/step, 0.347505 hours remaining, 114.421875 MB of memory in use. ENERGY: 2182800 664.7130 1857.9081 1961.0870 101.2736 0.8449 -1103.2630 0.0000 0.0000 2722.6796 6205.2431 300.7275 3482.5635 6240.9769 297.9153 PRESSURE: 2183000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2183000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2183000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2183000 0 0 0 0 0 0 0 0 0 TIMING: 2183000 CPU: 8786.3, 0.00394079/step Wall: 8786.3, 0.00394079/step, 0.347008 hours remaining, 114.421875 MB of memory in use. ENERGY: 2183000 606.3504 1878.9704 1963.1310 102.2218 2.3307 -1090.5161 0.0000 0.0000 2700.6926 6163.1808 298.2990 3462.4882 6197.5994 298.6679 PRESSURE: 2183200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2183200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2183200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2183200 0 0 0 0 0 0 0 0 0 TIMING: 2183200 CPU: 8787.09, 0.00394027/step Wall: 8787.09, 0.00394027/step, 0.346744 hours remaining, 114.421875 MB of memory in use. ENERGY: 2183200 640.8657 1836.1491 1960.6635 100.6539 3.2437 -1074.5503 0.0000 0.0000 2761.9443 6228.9699 305.0644 3467.0255 6262.0738 300.9132 PRESSURE: 2183400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2183400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2183400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2183400 0 0 0 0 0 0 0 0 0 TIMING: 2183400 CPU: 8787.87, 0.00393937/step Wall: 8787.87, 0.00393937/step, 0.346445 hours remaining, 114.421875 MB of memory in use. ENERGY: 2183400 649.5399 1903.7061 1966.8647 115.3560 2.8008 -1082.9010 0.0000 0.0000 2724.5674 6279.9338 300.9361 3555.3664 6312.0862 301.6389 PRESSURE: 2183600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2183600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2183600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2183600 0 0 0 0 0 0 0 0 0 TIMING: 2183600 CPU: 8788.66, 0.00394016/step Wall: 8788.66, 0.00394016/step, 0.346296 hours remaining, 114.421875 MB of memory in use. ENERGY: 2183600 653.1587 1893.5960 1970.1404 123.3444 1.9344 -1094.9828 0.0000 0.0000 2768.5894 6315.7805 305.7984 3547.1911 6351.0054 304.9107 PRESSURE: 2183800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2183800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2183800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2183800 0 0 0 0 0 0 0 0 0 TIMING: 2183800 CPU: 8789.45, 0.00394006/step Wall: 8789.45, 0.00394006/step, 0.346069 hours remaining, 114.421875 MB of memory in use. ENERGY: 2183800 640.3290 1916.5738 1953.0882 109.8025 0.9699 -1101.5160 0.0000 0.0000 2773.5688 6292.8161 306.3484 3519.2473 6329.7666 305.1659 PRESSURE: 2184000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2184000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2184000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2184000 0 0 0 0 0 0 0 0 0 TIMING: 2184000 CPU: 8790.24, 0.00393952/step Wall: 8790.24, 0.00393952/step, 0.345802 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2184000 643.0706 1836.7195 1950.9827 120.6015 1.6445 -1089.4976 0.0000 0.0000 2792.2339 6255.7549 308.4100 3463.5211 6294.8972 304.5745 PRESSURE: 2184200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2184200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2184200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2184200 0 0 0 0 0 0 0 0 0 TIMING: 2184200 CPU: 8791.03, 0.00394164/step Wall: 8791.03, 0.00394164/step, 0.345769 hours remaining, 114.421875 MB of memory in use. ENERGY: 2184200 647.1804 1830.6841 1962.5948 130.0139 0.3244 -1040.2309 0.0000 0.0000 2766.2684 6296.8351 305.5421 3530.5667 6333.0028 303.3644 LDB: ============= START OF LOAD BALANCING ============== 8793.98 LDB: ============== END OF LOAD BALANCING =============== 8793.98 LDB: =============== DONE WITH MIGRATION ================ 8793.98 LDB: ============= START OF LOAD BALANCING ============== 8794.38 LDB: ============== END OF LOAD BALANCING =============== 8794.38 LDB: =============== DONE WITH MIGRATION ================ 8794.38 PRESSURE: 2184400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2184400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2184400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2184400 0 0 0 0 0 0 0 0 0 TIMING: 2184400 CPU: 8791.81, 0.00394524/step Wall: 8791.81, 0.00394524/step, 0.345866 hours remaining, 114.421875 MB of memory in use. ENERGY: 2184400 638.3182 1920.7897 1936.4601 112.6184 0.9225 -1042.5601 0.0000 0.0000 2729.5951 6296.1439 301.4914 3566.5488 6330.7906 303.9636 PRESSURE: 2184600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2184600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2184600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2184600 0 0 0 0 0 0 0 0 0 TIMING: 2184600 CPU: 8792.6, 0.00394314/step Wall: 8792.6, 0.00394314/step, 0.345463 hours remaining, 114.421875 MB of memory in use. ENERGY: 2184600 665.8452 1892.7745 1945.4906 103.3232 1.2370 -1057.5079 0.0000 0.0000 2735.1949 6286.3575 302.1099 3551.1626 6316.8710 304.0797 PRESSURE: 2184800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2184800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2184800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2184800 0 0 0 0 0 0 0 0 0 TIMING: 2184800 CPU: 8793.39, 0.00394235/step Wall: 8793.39, 0.00394235/step, 0.345174 hours remaining, 114.421875 MB of memory in use. ENERGY: 2184800 647.4990 1816.5649 1956.8742 109.2933 1.7200 -1047.7233 0.0000 0.0000 2817.4202 6301.6484 311.1919 3484.2282 6338.5295 305.6609 PRESSURE: 2185000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2185000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2185000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2185000 0 0 0 0 0 0 0 0 0 TIMING: 2185000 CPU: 8794.18, 0.00394021/step Wall: 8794.18, 0.00394021/step, 0.344768 hours remaining, 114.421875 MB of memory in use. ENERGY: 2185000 651.8965 1829.8222 1937.5081 98.9916 1.8488 -1074.9260 0.0000 0.0000 2767.9349 6213.0762 305.7261 3445.1413 6246.3700 302.0001 PRESSURE: 2185200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2185200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2185200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2185200 0 0 0 0 0 0 0 0 0 TIMING: 2185200 CPU: 8794.97, 0.00394203/step Wall: 8794.97, 0.00394203/step, 0.344709 hours remaining, 114.421875 MB of memory in use. ENERGY: 2185200 663.0685 1889.1388 1955.4531 108.1117 1.3244 -1080.2252 0.0000 0.0000 2699.6977 6236.5690 298.1891 3536.8713 6269.2311 300.4758 PRESSURE: 2185400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2185400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2185400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2185400 0 0 0 0 0 0 0 0 0 TIMING: 2185400 CPU: 8797.67, 0.013498/step Wall: 8797.67, 0.013498/step, 1.17957 hours remaining, 114.421875 MB of memory in use. ENERGY: 2185400 681.1740 1843.8474 1955.4191 103.8686 1.5417 -1091.8388 0.0000 0.0000 2772.5686 6266.5806 306.2379 3494.0120 6303.7067 302.4461 PRESSURE: 2185600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2185600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2185600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2185600 0 0 0 0 0 0 0 0 0 TIMING: 2185600 CPU: 8798.46, 0.00396453/step Wall: 8798.46, 0.00396453/step, 0.346236 hours remaining, 114.421875 MB of memory in use. ENERGY: 2185600 647.8314 1917.3132 1922.6711 120.8853 1.7700 -1079.5485 0.0000 0.0000 2703.1143 6234.0368 298.5665 3530.9224 6266.9007 302.9462 PRESSURE: 2185800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2185800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2185800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2185800 0 0 0 0 0 0 0 0 0 TIMING: 2185800 CPU: 8799.25, 0.00394009/step Wall: 8799.25, 0.0039401/step, 0.343883 hours remaining, 114.421875 MB of memory in use. ENERGY: 2185800 652.5400 1855.6354 1935.0376 115.0721 0.6476 -1065.6161 0.0000 0.0000 2760.5386 6253.8552 304.9092 3493.3166 6287.6406 302.1422 PRESSURE: 2186000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2186000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2186000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2186000 0 0 0 0 0 0 0 0 0 TIMING: 2186000 CPU: 8800.04, 0.003943/step Wall: 8800.04, 0.003943/step, 0.343917 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2186000 652.3688 1891.1159 1933.3478 114.6278 0.2063 -1115.4847 0.0000 0.0000 2721.6688 6197.8505 300.6159 3476.1817 6230.4932 301.5954 PRESSURE: 2186200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2186200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2186200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2186200 0 0 0 0 0 0 0 0 0 TIMING: 2186200 CPU: 8800.83, 0.00394115/step Wall: 8800.83, 0.00394115/step, 0.343537 hours remaining, 114.421875 MB of memory in use. ENERGY: 2186200 684.6457 1930.1558 1963.9327 114.6001 1.0228 -1122.9524 0.0000 0.0000 2672.6799 6244.0847 295.2049 3571.4048 6276.9068 300.9374 PRESSURE: 2186400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2186400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2186400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2186400 0 0 0 0 0 0 0 0 0 TIMING: 2186400 CPU: 8801.61, 0.00394444/step Wall: 8801.61, 0.00394444/step, 0.343605 hours remaining, 114.421875 MB of memory in use. ENERGY: 2186400 710.1480 1876.5908 1964.4598 104.5590 0.5409 -1101.5775 0.0000 0.0000 2713.6672 6268.3882 299.7321 3554.7211 6297.7896 302.0343 PRESSURE: 2186600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2186600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2186600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2186600 0 0 0 0 0 0 0 0 0 TIMING: 2186600 CPU: 8802.4, 0.00394442/step Wall: 8802.4, 0.00394442/step, 0.343384 hours remaining, 114.421875 MB of memory in use. ENERGY: 2186600 655.6449 1831.2571 1945.2097 99.0107 1.2300 -1064.7841 0.0000 0.0000 2744.3868 6211.9552 303.1252 3467.5684 6246.9326 301.8530 PRESSURE: 2186800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2186800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2186800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2186800 0 0 0 0 0 0 0 0 0 TIMING: 2186800 CPU: 8803.19, 0.0039423/step Wall: 8803.19, 0.0039423/step, 0.34298 hours remaining, 114.421875 MB of memory in use. ENERGY: 2186800 660.3925 1850.2253 1927.6833 108.7444 0.6351 -1092.1167 0.0000 0.0000 2704.4893 6160.0532 298.7184 3455.5638 6193.8450 299.3111 PRESSURE: 2187000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2187000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2187000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2187000 0 0 0 0 0 0 0 0 0 TIMING: 2187000 CPU: 8803.98, 0.00394444/step Wall: 8803.98, 0.00394444/step, 0.342947 hours remaining, 114.421875 MB of memory in use. ENERGY: 2187000 636.4747 1819.8196 1952.5471 100.1002 -0.3189 -1077.8664 0.0000 0.0000 2699.3865 6130.1427 298.1548 3430.7562 6163.0138 296.6581 PRESSURE: 2187200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2187200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2187200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2187200 0 0 0 0 0 0 0 0 0 TIMING: 2187200 CPU: 8804.77, 0.0039453/step Wall: 8804.77, 0.00394531/step, 0.342804 hours remaining, 114.421875 MB of memory in use. ENERGY: 2187200 647.2536 1832.1574 1962.9318 112.6565 -0.6308 -1077.1003 0.0000 0.0000 2708.9868 6186.2549 299.2151 3477.2682 6220.5369 297.4969 PRESSURE: 2187400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2187400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2187400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2187400 0 0 0 0 0 0 0 0 0 TIMING: 2187400 CPU: 8805.56, 0.00394562/step Wall: 8805.56, 0.00394562/step, 0.342611 hours remaining, 114.421875 MB of memory in use. ENERGY: 2187400 666.6129 1830.4984 1988.5419 106.5358 -0.4908 -1093.3787 0.0000 0.0000 2662.5742 6160.8936 294.0887 3498.3194 6192.8721 299.1251 PRESSURE: 2187600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2187600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2187600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2187600 0 0 0 0 0 0 0 0 0 TIMING: 2187600 CPU: 8806.35, 0.00396751/step Wall: 8806.35, 0.00396751/step, 0.344292 hours remaining, 114.421875 MB of memory in use. ENERGY: 2187600 656.9949 1841.8523 1945.2877 111.5697 1.2021 -1076.7957 0.0000 0.0000 2668.5776 6148.6887 294.7518 3480.1111 6180.7628 296.3026 PRESSURE: 2187800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2187800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2187800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2187800 0 0 0 0 0 0 0 0 0 TIMING: 2187800 CPU: 8807.14, 0.00394619/step Wall: 8807.14, 0.00394618/step, 0.342221 hours remaining, 114.421875 MB of memory in use. ENERGY: 2187800 707.0687 1829.7987 1960.8208 108.6764 2.7405 -1078.2048 0.0000 0.0000 2669.8914 6200.7917 294.8969 3530.9003 6233.2042 297.6817 PRESSURE: 2188000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2188000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2188000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2188000 0 0 0 0 0 0 0 0 0 TIMING: 2188000 CPU: 8807.93, 0.00394574/step Wall: 8807.93, 0.00394575/step, 0.341965 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2188000 670.2139 1822.4452 1948.5600 110.4527 1.0615 -1084.7846 0.0000 0.0000 2746.5155 6214.4641 303.3603 3467.9487 6247.5727 299.7590 PRESSURE: 2188200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2188200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2188200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2188200 0 0 0 0 0 0 0 0 0 TIMING: 2188200 CPU: 8808.72, 0.00394478/step Wall: 8808.72, 0.00394478/step, 0.341662 hours remaining, 114.421875 MB of memory in use. ENERGY: 2188200 642.3829 1836.0574 1930.2056 103.6276 1.0811 -1038.9198 0.0000 0.0000 2719.2919 6193.7266 300.3534 3474.4347 6228.2097 300.1998 LDB: ============= START OF LOAD BALANCING ============== 8811.68 LDB: ============== END OF LOAD BALANCING =============== 8811.68 LDB: =============== DONE WITH MIGRATION ================ 8811.68 LDB: ============= START OF LOAD BALANCING ============== 8812.07 LDB: ============== END OF LOAD BALANCING =============== 8812.07 LDB: =============== DONE WITH MIGRATION ================ 8812.07 PRESSURE: 2188400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2188400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2188400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2188400 0 0 0 0 0 0 0 0 0 TIMING: 2188400 CPU: 8809.51, 0.00395216/step Wall: 8809.51, 0.00395216/step, 0.342081 hours remaining, 114.421875 MB of memory in use. ENERGY: 2188400 656.8660 1863.4801 2012.1593 118.7617 -0.2927 -1082.3863 0.0000 0.0000 2693.7560 6262.3443 297.5329 3568.5882 6296.6550 302.7419 PRESSURE: 2188600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2188600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2188600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2188600 0 0 0 0 0 0 0 0 0 TIMING: 2188600 CPU: 8810.3, 0.00394347/step Wall: 8810.3, 0.00394347/step, 0.34111 hours remaining, 114.421875 MB of memory in use. ENERGY: 2188600 674.4086 1905.2508 1950.1140 113.2909 0.7818 -1072.7583 0.0000 0.0000 2720.2388 6291.3267 300.4580 3571.0879 6322.7260 302.4189 PRESSURE: 2188800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2188800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2188800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2188800 0 0 0 0 0 0 0 0 0 TIMING: 2188800 CPU: 8811.09, 0.00394197/step Wall: 8811.09, 0.00394197/step, 0.340761 hours remaining, 114.421875 MB of memory in use. ENERGY: 2188800 673.6491 1875.2950 1953.8067 110.9063 0.7574 -1067.2773 0.0000 0.0000 2702.7128 6249.8499 298.5222 3547.1371 6281.3959 302.8323 PRESSURE: 2189000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2189000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2189000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2189000 0 0 0 0 0 0 0 0 0 TIMING: 2189000 CPU: 8811.88, 0.00394305/step Wall: 8811.88, 0.00394305/step, 0.340635 hours remaining, 114.421875 MB of memory in use. ENERGY: 2189000 654.1762 1844.6568 1940.3585 106.8364 0.6413 -1052.3303 0.0000 0.0000 2782.6643 6277.0033 307.3530 3494.3390 6313.0576 304.0204 PRESSURE: 2189200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2189200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2189200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2189200 0 0 0 0 0 0 0 0 0 TIMING: 2189200 CPU: 8812.66, 0.00394449/step Wall: 8812.66, 0.00394449/step, 0.340541 hours remaining, 114.421875 MB of memory in use. ENERGY: 2189200 607.4959 1890.8640 1921.7189 116.4787 1.6932 -1034.1609 0.0000 0.0000 2729.8878 6233.9775 301.5237 3504.0897 6268.1537 301.5051 PRESSURE: 2189400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2189400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2189400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2189400 0 0 0 0 0 0 0 0 0 TIMING: 2189400 CPU: 8813.45, 0.00394447/step Wall: 8813.45, 0.00394447/step, 0.34032 hours remaining, 114.421875 MB of memory in use. ENERGY: 2189400 667.7245 1856.5324 1957.6549 109.7081 2.4187 -1053.3314 0.0000 0.0000 2693.6376 6234.3449 297.5198 3540.7073 6266.9959 302.1954 PRESSURE: 2189600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2189600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2189600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2189600 0 0 0 0 0 0 0 0 0 TIMING: 2189600 CPU: 8814.24, 0.00394269/step Wall: 8814.24, 0.00394269/step, 0.339947 hours remaining, 114.421875 MB of memory in use. ENERGY: 2189600 657.1169 1837.8063 1951.0755 106.2493 0.6443 -1064.9433 0.0000 0.0000 2752.5815 6240.5305 304.0303 3487.9490 6273.7470 301.4112 PRESSURE: 2189800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2189800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2189800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2189800 0 0 0 0 0 0 0 0 0 TIMING: 2189800 CPU: 8815.03, 0.00394464/step Wall: 8815.03, 0.00394464/step, 0.339897 hours remaining, 114.421875 MB of memory in use. ENERGY: 2189800 625.8353 1864.8983 1986.0163 104.0438 1.2139 -1074.6897 0.0000 0.0000 2750.0274 6257.3451 303.7482 3507.3178 6289.5146 302.7908 PRESSURE: 2190000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2190000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2190000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2190000 0 0 0 0 0 0 0 0 0 TIMING: 2190000 CPU: 8815.82, 0.00394446/step Wall: 8815.82, 0.00394446/step, 0.339662 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2190000 651.4174 1864.6823 1954.2496 112.7559 0.3038 -1039.3078 0.0000 0.0000 2739.8177 6283.9189 302.6205 3544.1012 6315.3636 302.0950 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2190000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2190000 WRITING COORDINATES TO RESTART FILE AT STEP 2190000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2190000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2190200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2190200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2190200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2190200 0 0 0 0 0 0 0 0 0 TIMING: 2190200 CPU: 8816.65, 0.0041401/step Wall: 8816.65, 0.0041401/step, 0.356279 hours remaining, 114.421875 MB of memory in use. ENERGY: 2190200 638.3991 1845.4517 1955.4348 105.4300 1.9141 -1058.3858 0.0000 0.0000 2767.5385 6255.7823 305.6823 3488.2439 6292.6335 302.5207 PRESSURE: 2190400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2190400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2190400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2190400 0 0 0 0 0 0 0 0 0 TIMING: 2190400 CPU: 8817.44, 0.00394494/step Wall: 8817.44, 0.00394494/step, 0.339265 hours remaining, 114.421875 MB of memory in use. ENERGY: 2190400 693.4113 1864.8410 1927.1706 105.4735 1.7999 -1047.5722 0.0000 0.0000 2723.0631 6268.1871 300.7699 3545.1240 6303.0373 303.4673 PRESSURE: 2190600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2190600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2190600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2190600 0 0 0 0 0 0 0 0 0 TIMING: 2190600 CPU: 8818.23, 0.00394203/step Wall: 8818.23, 0.00394203/step, 0.338795 hours remaining, 114.421875 MB of memory in use. ENERGY: 2190600 604.6710 1919.3692 1964.4911 114.1181 1.1061 -1026.9148 0.0000 0.0000 2646.1782 6223.0189 292.2778 3576.8406 6252.6955 300.4362 PRESSURE: 2190800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2190800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2190800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2190800 0 0 0 0 0 0 0 0 0 TIMING: 2190800 CPU: 8819.02, 0.00395368/step Wall: 8819.02, 0.00395368/step, 0.339578 hours remaining, 114.421875 MB of memory in use. ENERGY: 2190800 651.5265 1854.3995 1956.9705 108.4384 2.9021 -1088.5500 0.0000 0.0000 2769.6658 6255.3528 305.9173 3485.6870 6288.3659 301.9294 PRESSURE: 2191000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2191000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2191000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2191000 0 0 0 0 0 0 0 0 0 TIMING: 2191000 CPU: 8819.8, 0.0039411/step Wall: 8819.8, 0.0039411/step, 0.338278 hours remaining, 114.421875 MB of memory in use. ENERGY: 2191000 669.3467 1827.5857 1929.1875 102.6469 1.6341 -1032.6270 0.0000 0.0000 2767.4516 6265.2256 305.6727 3497.7740 6297.0479 305.5468 PRESSURE: 2191200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2191200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2191200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2191200 0 0 0 0 0 0 0 0 0 TIMING: 2191200 CPU: 8820.59, 0.00394132/step Wall: 8820.59, 0.00394132/step, 0.338078 hours remaining, 114.421875 MB of memory in use. ENERGY: 2191200 683.7943 1885.8666 1967.8720 103.3547 1.0118 -1102.4315 0.0000 0.0000 2695.6038 6235.0717 297.7369 3539.4680 6264.8899 302.6377 PRESSURE: 2191400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2191400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2191400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2191400 0 0 0 0 0 0 0 0 0 TIMING: 2191400 CPU: 8821.38, 0.00394202/step Wall: 8821.38, 0.00394202/step, 0.337918 hours remaining, 114.421875 MB of memory in use. ENERGY: 2191400 700.4010 1882.5001 1974.1268 98.7054 0.0143 -1101.1276 0.0000 0.0000 2681.7660 6236.3859 296.2085 3554.6199 6267.3691 300.1046 PRESSURE: 2191600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2191600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2191600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2191600 0 0 0 0 0 0 0 0 0 TIMING: 2191600 CPU: 8822.17, 0.00394194/step Wall: 8822.17, 0.00394193/step, 0.337692 hours remaining, 114.421875 MB of memory in use. ENERGY: 2191600 628.7327 1814.1126 1969.3787 98.2373 1.0321 -1042.9323 0.0000 0.0000 2782.1258 6250.6868 307.2935 3468.5610 6285.9427 302.4182 PRESSURE: 2191800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2191800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2191800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2191800 0 0 0 0 0 0 0 0 0 TIMING: 2191800 CPU: 8822.96, 0.00394206/step Wall: 8822.96, 0.00394207/step, 0.337485 hours remaining, 114.421875 MB of memory in use. ENERGY: 2191800 650.1807 1809.8875 1997.2252 116.4830 1.0345 -1065.7231 0.0000 0.0000 2742.2714 6251.3592 302.8915 3509.0878 6287.0056 302.8898 PRESSURE: 2192000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2192000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2192000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2192000 0 0 0 0 0 0 0 0 0 TIMING: 2192000 CPU: 8823.75, 0.00394174/step Wall: 8823.75, 0.00394174/step, 0.337238 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2192000 628.0903 1887.6079 1930.7524 110.6166 1.7738 -1063.6880 0.0000 0.0000 2745.2163 6240.3694 303.2168 3495.1531 6274.6122 301.6481 PRESSURE: 2192200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2192200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2192200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2192200 0 0 0 0 0 0 0 0 0 TIMING: 2192200 CPU: 8824.53, 0.00394035/step Wall: 8824.53, 0.00394035/step, 0.3369 hours remaining, 114.421875 MB of memory in use. ENERGY: 2192200 648.7663 1853.3234 1958.5779 118.0654 1.4783 -1081.6214 0.0000 0.0000 2732.5803 6231.1702 301.8211 3498.5898 6264.6772 301.3437 LDB: ============= START OF LOAD BALANCING ============== 8827.49 LDB: ============== END OF LOAD BALANCING =============== 8827.49 LDB: =============== DONE WITH MIGRATION ================ 8827.49 LDB: ============= START OF LOAD BALANCING ============== 8827.89 LDB: ============== END OF LOAD BALANCING =============== 8827.89 LDB: =============== DONE WITH MIGRATION ================ 8827.89 PRESSURE: 2192400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2192400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2192400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2192400 0 0 0 0 0 0 0 0 0 TIMING: 2192400 CPU: 8825.32, 0.00394712/step Wall: 8825.32, 0.00394712/step, 0.33726 hours remaining, 114.421875 MB of memory in use. ENERGY: 2192400 639.2054 1859.8861 1963.9852 113.7554 1.3924 -1057.5113 0.0000 0.0000 2674.6476 6195.3608 295.4223 3520.7132 6226.0646 301.2287 PRESSURE: 2192600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2192600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2192600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2192600 0 0 0 0 0 0 0 0 0 TIMING: 2192600 CPU: 8826.11, 0.00394099/step Wall: 8826.11, 0.00394099/step, 0.336517 hours remaining, 114.421875 MB of memory in use. ENERGY: 2192600 678.6691 1854.9783 1972.2234 120.0143 1.2657 -1120.8235 0.0000 0.0000 2753.7824 6260.1096 304.1629 3506.3272 6292.1618 301.4833 PRESSURE: 2192800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2192800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2192800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2192800 0 0 0 0 0 0 0 0 0 TIMING: 2192800 CPU: 8826.9, 0.00394246/step Wall: 8826.9, 0.00394246/step, 0.336423 hours remaining, 114.421875 MB of memory in use. ENERGY: 2192800 657.6798 1814.5076 1950.6272 118.9525 1.2322 -1064.9008 0.0000 0.0000 2774.2846 6252.3831 306.4275 3478.0984 6285.5944 304.3469 PRESSURE: 2193000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2193000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2193000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2193000 0 0 0 0 0 0 0 0 0 TIMING: 2193000 CPU: 8827.69, 0.00394295/step Wall: 8827.69, 0.00394295/step, 0.336246 hours remaining, 114.421875 MB of memory in use. ENERGY: 2193000 701.8874 1849.4328 1942.4842 108.0784 0.8589 -1051.1401 0.0000 0.0000 2738.8061 6290.4078 302.5088 3551.6017 6321.3950 302.6950 PRESSURE: 2193200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2193200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2193200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2193200 0 0 0 0 0 0 0 0 0 TIMING: 2193200 CPU: 8828.48, 0.00394221/step Wall: 8828.48, 0.00394221/step, 0.335964 hours remaining, 114.421875 MB of memory in use. ENERGY: 2193200 657.2532 1898.5349 1955.6404 99.4101 -0.2348 -1075.3226 0.0000 0.0000 2729.6028 6264.8839 301.4922 3535.2812 6297.1486 303.8600 PRESSURE: 2193400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2193400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2193400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2193400 0 0 0 0 0 0 0 0 0 TIMING: 2193400 CPU: 8829.27, 0.00394185/step Wall: 8829.27, 0.00394185/step, 0.335714 hours remaining, 114.421875 MB of memory in use. ENERGY: 2193400 672.9442 1878.3534 1958.7759 108.9365 1.4298 -1098.6292 0.0000 0.0000 2744.9884 6266.7989 303.1916 3521.8105 6299.7181 303.4042 PRESSURE: 2193600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2193600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2193600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2193600 0 0 0 0 0 0 0 0 0 TIMING: 2193600 CPU: 8830.05, 0.00394348/step Wall: 8830.05, 0.00394348/step, 0.335634 hours remaining, 114.421875 MB of memory in use. ENERGY: 2193600 672.2542 1877.6295 1953.5465 109.7074 0.7496 -1118.8938 0.0000 0.0000 2751.6119 6246.6054 303.9232 3494.9935 6282.4625 302.7272 PRESSURE: 2193800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2193800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2193800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2193800 0 0 0 0 0 0 0 0 0 TIMING: 2193800 CPU: 8831.11, 0.00528824/step Wall: 8831.11, 0.00528824/step, 0.449795 hours remaining, 114.421875 MB of memory in use. ENERGY: 2193800 659.4383 1836.3393 1984.7511 109.7311 1.3816 -1099.2123 0.0000 0.0000 2750.4998 6242.9288 303.8004 3492.4290 6276.1149 301.8527 PRESSURE: 2194000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2194000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2194000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2194000 0 0 0 0 0 0 0 0 0 TIMING: 2194000 CPU: 8831.91, 0.00396837/step Wall: 8831.91, 0.00396837/step, 0.337311 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2194000 636.2068 1839.1202 1984.5598 100.2468 0.5258 -1040.7959 0.0000 0.0000 2716.6004 6236.4639 300.0561 3519.8634 6269.8702 303.2422 PRESSURE: 2194200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2194200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2194200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2194200 0 0 0 0 0 0 0 0 0 TIMING: 2194200 CPU: 8832.69, 0.00394197/step Wall: 8832.69, 0.00394197/step, 0.334849 hours remaining, 114.421875 MB of memory in use. ENERGY: 2194200 666.2536 1843.4079 1964.4531 98.9998 2.1088 -1084.4743 0.0000 0.0000 2693.0890 6183.8378 297.4592 3490.7489 6216.4877 299.3498 PRESSURE: 2194400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2194400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2194400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2194400 0 0 0 0 0 0 0 0 0 TIMING: 2194400 CPU: 8833.48, 0.00394334/step Wall: 8833.48, 0.00394334/step, 0.334745 hours remaining, 114.421875 MB of memory in use. ENERGY: 2194400 658.0755 1795.1138 1947.5198 110.9466 2.6958 -1080.8988 0.0000 0.0000 2759.1473 6192.6000 304.7555 3433.4527 6227.3670 299.2931 PRESSURE: 2194600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2194600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2194600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2194600 0 0 0 0 0 0 0 0 0 TIMING: 2194600 CPU: 8834.27, 0.00394049/step Wall: 8834.27, 0.00394049/step, 0.334285 hours remaining, 114.421875 MB of memory in use. ENERGY: 2194600 670.4964 1836.3613 1973.7761 103.3449 0.8865 -1051.8641 0.0000 0.0000 2645.1581 6178.1592 292.1651 3533.0010 6207.7671 297.4556 PRESSURE: 2194800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2194800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2194800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2194800 0 0 0 0 0 0 0 0 0 TIMING: 2194800 CPU: 8835.06, 0.00394302/step Wall: 8835.06, 0.00394302/step, 0.33428 hours remaining, 114.421875 MB of memory in use. ENERGY: 2194800 627.3566 1817.7128 1947.5655 102.2430 2.1449 -1073.8251 0.0000 0.0000 2743.5315 6166.7294 303.0307 3423.1978 6201.5549 298.4077 PRESSURE: 2195000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2195000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2195000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2195000 0 0 0 0 0 0 0 0 0 TIMING: 2195000 CPU: 8835.85, 0.00394315/step Wall: 8835.85, 0.00394315/step, 0.334073 hours remaining, 114.421875 MB of memory in use. ENERGY: 2195000 627.0146 1884.7244 1968.5347 96.6243 1.1157 -1050.4175 0.0000 0.0000 2710.5597 6238.1559 299.3889 3527.5962 6271.8528 299.6879 PRESSURE: 2195200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2195200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2195200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2195200 0 0 0 0 0 0 0 0 0 TIMING: 2195200 CPU: 8836.64, 0.00394452/step Wall: 8836.64, 0.00394452/step, 0.33397 hours remaining, 114.421875 MB of memory in use. ENERGY: 2195200 684.5361 1843.5969 1959.4265 107.3197 1.3070 -1071.4627 0.0000 0.0000 2772.4961 6297.2197 306.2299 3524.7236 6331.6490 303.3523 PRESSURE: 2195400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2195400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2195400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2195400 0 0 0 0 0 0 0 0 0 TIMING: 2195400 CPU: 8837.43, 0.00394293/step Wall: 8837.43, 0.00394292/step, 0.333615 hours remaining, 114.421875 MB of memory in use. ENERGY: 2195400 667.1344 1849.2239 1988.4639 110.6808 0.2408 -1081.9595 0.0000 0.0000 2762.3482 6296.1326 305.1091 3533.7843 6330.2778 305.6653 PRESSURE: 2195600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2195600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2195600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2195600 0 0 0 0 0 0 0 0 0 TIMING: 2195600 CPU: 8838.21, 0.00393889/step Wall: 8838.21, 0.0039389/step, 0.333056 hours remaining, 114.421875 MB of memory in use. ENERGY: 2195600 683.1240 1826.8621 1971.9983 114.8685 1.6678 -1073.8756 0.0000 0.0000 2709.5944 6234.2395 299.2822 3524.6452 6267.6801 303.1352 PRESSURE: 2195800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2195800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2195800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2195800 0 0 0 0 0 0 0 0 0 TIMING: 2195800 CPU: 8839, 0.00394163/step Wall: 8839, 0.00394163/step, 0.333067 hours remaining, 114.421875 MB of memory in use. ENERGY: 2195800 656.6994 1852.7753 1969.2760 109.3173 0.9015 -1076.0490 0.0000 0.0000 2743.5886 6256.5091 303.0370 3512.9205 6290.2609 302.4032 PRESSURE: 2196000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2196000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2196000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2196000 0 0 0 0 0 0 0 0 0 TIMING: 2196000 CPU: 8839.79, 0.00394413/step Wall: 8839.79, 0.00394413/step, 0.333059 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2196000 666.9294 1905.6534 1948.1005 111.6772 1.5100 -1090.2513 0.0000 0.0000 2724.7700 6268.3891 300.9584 3543.6191 6302.5691 304.2563 PRESSURE: 2196200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2196200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2196200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2196200 0 0 0 0 0 0 0 0 0 TIMING: 2196200 CPU: 8840.58, 0.00394354/step Wall: 8840.58, 0.00394354/step, 0.332791 hours remaining, 114.421875 MB of memory in use. ENERGY: 2196200 664.3867 1888.9945 1971.0564 112.1787 1.4435 -1105.9952 0.0000 0.0000 2717.3153 6249.3799 300.1350 3532.0646 6282.0033 302.1934 LDB: ============= START OF LOAD BALANCING ============== 8843.54 LDB: ============== END OF LOAD BALANCING =============== 8843.54 LDB: =============== DONE WITH MIGRATION ================ 8843.54 LDB: ============= START OF LOAD BALANCING ============== 8843.93 LDB: ============== END OF LOAD BALANCING =============== 8843.93 LDB: =============== DONE WITH MIGRATION ================ 8843.93 PRESSURE: 2196400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2196400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2196400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2196400 0 0 0 0 0 0 0 0 0 TIMING: 2196400 CPU: 8841.37, 0.00394848/step Wall: 8841.37, 0.00394848/step, 0.332988 hours remaining, 114.421875 MB of memory in use. ENERGY: 2196400 654.9365 1883.1754 1974.2059 116.5141 1.1648 -1100.3642 0.0000 0.0000 2743.3891 6273.0218 303.0150 3529.6326 6306.9618 303.6302 PRESSURE: 2196600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2196600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2196600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2196600 0 0 0 0 0 0 0 0 0 TIMING: 2196600 CPU: 8842.16, 0.00394231/step Wall: 8842.16, 0.00394231/step, 0.332249 hours remaining, 114.421875 MB of memory in use. ENERGY: 2196600 681.5660 1859.5594 1973.3014 95.0163 1.0821 -1093.9846 0.0000 0.0000 2734.2064 6250.7470 302.0007 3516.5406 6286.2242 303.4017 PRESSURE: 2196800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2196800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2196800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2196800 0 0 0 0 0 0 0 0 0 TIMING: 2196800 CPU: 8842.95, 0.00394138/step Wall: 8842.95, 0.00394138/step, 0.331952 hours remaining, 114.421875 MB of memory in use. ENERGY: 2196800 633.8022 1852.7760 1936.7284 114.7745 1.2299 -1039.9263 0.0000 0.0000 2793.5590 6292.9438 308.5564 3499.3847 6327.1472 302.4072 PRESSURE: 2197000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2197000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2197000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2197000 0 0 0 0 0 0 0 0 0 TIMING: 2197000 CPU: 8843.73, 0.00394323/step Wall: 8843.73, 0.00394323/step, 0.331889 hours remaining, 114.421875 MB of memory in use. ENERGY: 2197000 663.7967 1875.3815 1943.4280 111.7832 1.1448 -1048.4250 0.0000 0.0000 2750.6078 6297.7170 303.8123 3547.1092 6331.1798 303.4703 PRESSURE: 2197200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2197200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2197200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2197200 0 0 0 0 0 0 0 0 0 TIMING: 2197200 CPU: 8844.52, 0.00394308/step Wall: 8844.52, 0.00394308/step, 0.331657 hours remaining, 114.421875 MB of memory in use. ENERGY: 2197200 669.4516 1882.7921 1940.0866 116.1300 0.4634 -1071.4332 0.0000 0.0000 2765.4299 6302.9203 305.4494 3537.4904 6337.8106 304.5004 PRESSURE: 2197400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2197400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2197400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2197400 0 0 0 0 0 0 0 0 0 TIMING: 2197400 CPU: 8845.31, 0.00394064/step Wall: 8845.31, 0.00394064/step, 0.331233 hours remaining, 114.421875 MB of memory in use. ENERGY: 2197400 663.1845 1925.3746 1964.6701 101.8101 -0.2763 -1096.8126 0.0000 0.0000 2746.9911 6304.9417 303.4128 3557.9505 6339.0810 305.1103 PRESSURE: 2197600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2197600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2197600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2197600 0 0 0 0 0 0 0 0 0 TIMING: 2197600 CPU: 8846.1, 0.00394354/step Wall: 8846.1, 0.00394354/step, 0.331258 hours remaining, 114.421875 MB of memory in use. ENERGY: 2197600 670.7477 1914.4409 1950.8803 118.1512 -0.4045 -1105.2433 0.0000 0.0000 2732.3674 6280.9397 301.7976 3548.5723 6314.0247 304.4170 PRESSURE: 2197800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2197800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2197800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2197800 0 0 0 0 0 0 0 0 0 TIMING: 2197800 CPU: 8846.89, 0.0039424/step Wall: 8846.89, 0.0039424/step, 0.330942 hours remaining, 114.421875 MB of memory in use. ENERGY: 2197800 697.7079 1833.5436 1971.6581 100.4665 0.6906 -1083.9788 0.0000 0.0000 2719.7774 6239.8654 300.4070 3520.0880 6271.6799 303.8042 PRESSURE: 2198000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2198000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2198000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2198000 0 0 0 0 0 0 0 0 0 TIMING: 2198000 CPU: 8847.68, 0.00394416/step Wall: 8847.68, 0.00394416/step, 0.330872 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2198000 698.2417 1899.5543 1977.8605 103.9594 1.5361 -1124.5790 0.0000 0.0000 2722.9701 6279.5432 300.7596 3556.5731 6314.0024 303.5031 PRESSURE: 2198200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2198200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2198200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2198200 0 0 0 0 0 0 0 0 0 TIMING: 2198200 CPU: 8848.47, 0.00394208/step Wall: 8848.47, 0.00394208/step, 0.330478 hours remaining, 114.421875 MB of memory in use. ENERGY: 2198200 676.6156 1886.0944 1962.8544 115.8137 0.8950 -1045.7897 0.0000 0.0000 2722.4832 6318.9666 300.7059 3596.4834 6352.7055 304.0055 PRESSURE: 2198400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2198400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2198400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2198400 0 0 0 0 0 0 0 0 0 TIMING: 2198400 CPU: 8849.25, 0.00394024/step Wall: 8849.25, 0.00394024/step, 0.330105 hours remaining, 114.421875 MB of memory in use. ENERGY: 2198400 684.4377 1879.3541 1974.9505 115.8821 -0.2112 -1091.9360 0.0000 0.0000 2765.2902 6327.7673 305.4340 3562.4771 6360.3091 304.6319 PRESSURE: 2198600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2198600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2198600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2198600 0 0 0 0 0 0 0 0 0 TIMING: 2198600 CPU: 8850.04, 0.00394215/step Wall: 8850.04, 0.00394215/step, 0.330046 hours remaining, 114.421875 MB of memory in use. ENERGY: 2198600 667.6828 1875.7703 1946.1664 111.5221 0.2453 -1091.8140 0.0000 0.0000 2767.3671 6276.9401 305.6634 3509.5730 6310.7446 305.9579 PRESSURE: 2198800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2198800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2198800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2198800 0 0 0 0 0 0 0 0 0 TIMING: 2198800 CPU: 8850.83, 0.00394349/step Wall: 8850.83, 0.00394349/step, 0.329938 hours remaining, 114.421875 MB of memory in use. ENERGY: 2198800 636.4882 1889.9599 1958.8446 118.4609 -0.2923 -1104.7137 0.0000 0.0000 2801.0468 6299.7943 309.3834 3498.7475 6333.1511 305.6943 PRESSURE: 2199000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2199000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2199000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2199000 0 0 0 0 0 0 0 0 0 TIMING: 2199000 CPU: 8851.62, 0.00394451/step Wall: 8851.62, 0.00394451/step, 0.329805 hours remaining, 114.421875 MB of memory in use. ENERGY: 2199000 648.7011 1859.6841 1965.0920 114.4491 0.4862 -1050.3795 0.0000 0.0000 2701.4566 6239.4896 298.3834 3538.0330 6270.8191 303.2739 PRESSURE: 2199200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2199200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2199200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2199200 0 0 0 0 0 0 0 0 0 TIMING: 2199200 CPU: 8852.41, 0.00394422/step Wall: 8852.41, 0.00394422/step, 0.329561 hours remaining, 114.421875 MB of memory in use. ENERGY: 2199200 641.6742 1882.8416 1986.6278 114.2737 -0.0318 -1097.4652 0.0000 0.0000 2680.3147 6208.2351 296.0482 3527.9203 6240.2076 301.0430 PRESSURE: 2199400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2199400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2199400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2199400 0 0 0 0 0 0 0 0 0 TIMING: 2199400 CPU: 8853.2, 0.0039399/step Wall: 8853.2, 0.0039399/step, 0.328981 hours remaining, 114.421875 MB of memory in use. ENERGY: 2199400 642.4210 1899.1654 1961.9538 99.4213 0.0359 -1096.9898 0.0000 0.0000 2746.1361 6252.1437 303.3184 3506.0075 6288.7822 300.4127 PRESSURE: 2199600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2199600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2199600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2199600 0 0 0 0 0 0 0 0 0 TIMING: 2199600 CPU: 8853.98, 0.00394294/step Wall: 8853.98, 0.00394294/step, 0.329016 hours remaining, 114.421875 MB of memory in use. ENERGY: 2199600 669.8872 1889.9297 1955.3248 103.6259 -0.3507 -1091.2370 0.0000 0.0000 2751.1704 6278.3503 303.8744 3527.1799 6311.6992 303.4359 PRESSURE: 2199800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2199800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2199800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2199800 0 0 0 0 0 0 0 0 0 TIMING: 2199800 CPU: 8854.77, 0.00394459/step Wall: 8854.77, 0.00394459/step, 0.328935 hours remaining, 114.421875 MB of memory in use. ENERGY: 2199800 653.3608 1909.2063 1973.4826 118.8254 0.4384 -1095.7226 0.0000 0.0000 2713.1993 6272.7901 299.6804 3559.5909 6302.9546 303.1372 PRESSURE: 2200000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2200000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2200000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2200000 0 0 0 0 0 0 0 0 0 TIMING: 2200000 CPU: 8855.56, 0.00394543/step Wall: 8855.56, 0.00394543/step, 0.328786 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2200000 628.5021 1902.4018 1946.5576 106.8493 -0.0613 -1086.4153 0.0000 0.0000 2749.3752 6247.2094 303.6762 3497.8342 6283.7507 301.8875 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2200200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2200200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2200200 0 0 0 0 0 0 0 0 0 TIMING: 2200200 CPU: 8856.39, 0.00412207/step Wall: 8856.39, 0.00412207/step, 0.343276 hours remaining, 114.421875 MB of memory in use. ENERGY: 2200200 681.9483 1826.0623 1957.6796 101.2164 -0.7522 -1102.0181 0.0000 0.0000 2755.7908 6219.9270 304.3848 3464.1362 6253.4534 300.5625 LDB: ============= START OF LOAD BALANCING ============== 8859.35 LDB: ============== END OF LOAD BALANCING =============== 8859.35 LDB: =============== DONE WITH MIGRATION ================ 8859.35 LDB: ============= START OF LOAD BALANCING ============== 8859.74 LDB: ============== END OF LOAD BALANCING =============== 8859.74 LDB: =============== DONE WITH MIGRATION ================ 8859.74 PRESSURE: 2200400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2200400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2200400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2200400 0 0 0 0 0 0 0 0 0 TIMING: 2200400 CPU: 8857.18, 0.003941/step Wall: 8857.18, 0.003941/step, 0.327979 hours remaining, 114.421875 MB of memory in use. ENERGY: 2200400 674.9312 1817.3870 1979.4701 102.2072 0.1600 -1101.5150 0.0000 0.0000 2809.4290 6282.0694 310.3093 3472.6404 6318.4327 301.8936 PRESSURE: 2200600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2200600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2200600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2200600 0 0 0 0 0 0 0 0 0 TIMING: 2200600 CPU: 8857.96, 0.00394014/step Wall: 8857.96, 0.00394014/step, 0.327688 hours remaining, 114.421875 MB of memory in use. ENERGY: 2200600 660.5541 1897.6666 1996.5872 111.0377 1.0476 -1077.7225 0.0000 0.0000 2720.5929 6309.7636 300.4971 3589.1707 6341.2152 304.3882 PRESSURE: 2200800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2200800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2200800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2200800 0 0 0 0 0 0 0 0 0 TIMING: 2200800 CPU: 8858.75, 0.00394624/step Wall: 8858.75, 0.00394624/step, 0.327976 hours remaining, 114.421875 MB of memory in use. ENERGY: 2200800 687.3584 1932.6328 1965.8891 108.7593 1.4408 -1112.1492 0.0000 0.0000 2735.6447 6319.5758 302.1596 3583.9311 6350.6941 305.6568 PRESSURE: 2201000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2201000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2201000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2201000 0 0 0 0 0 0 0 0 0 TIMING: 2201000 CPU: 8859.54, 0.00394163/step Wall: 8859.54, 0.00394163/step, 0.327374 hours remaining, 114.421875 MB of memory in use. ENERGY: 2201000 670.8605 1902.3309 1954.0163 113.3445 1.5860 -1083.8609 0.0000 0.0000 2715.3281 6273.6054 299.9156 3558.2773 6305.2876 303.9886 PRESSURE: 2201200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2201200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2201200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2201200 0 0 0 0 0 0 0 0 0 TIMING: 2201200 CPU: 8860.33, 0.00393978/step Wall: 8860.33, 0.00393978/step, 0.327002 hours remaining, 114.421875 MB of memory in use. ENERGY: 2201200 668.6702 1876.6780 1951.9351 102.8061 1.3429 -1088.8724 0.0000 0.0000 2766.5144 6279.0744 305.5692 3512.5600 6312.7122 303.8668 PRESSURE: 2201400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2201400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2201400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2201400 0 0 0 0 0 0 0 0 0 TIMING: 2201400 CPU: 8861.12, 0.00394259/step Wall: 8861.12, 0.00394259/step, 0.327016 hours remaining, 114.421875 MB of memory in use. ENERGY: 2201400 638.5752 1895.4209 1954.3587 108.0383 1.6251 -1051.1575 0.0000 0.0000 2731.7485 6278.6093 301.7292 3546.8608 6311.9661 304.4328 PRESSURE: 2201600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2201600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2201600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2201600 0 0 0 0 0 0 0 0 0 TIMING: 2201600 CPU: 8861.91, 0.00394273/step Wall: 8861.91, 0.00394273/step, 0.326809 hours remaining, 114.421875 MB of memory in use. ENERGY: 2201600 624.5608 1884.5272 1955.0440 99.6689 0.2961 -1078.4009 0.0000 0.0000 2768.2884 6253.9844 305.7652 3485.6960 6287.0497 302.7912 PRESSURE: 2201800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2201800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2201800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2201800 0 0 0 0 0 0 0 0 0 TIMING: 2201800 CPU: 8862.69, 0.00394139/step Wall: 8862.69, 0.00394139/step, 0.326478 hours remaining, 114.421875 MB of memory in use. ENERGY: 2201800 612.1779 1855.7991 1979.6860 98.3698 0.7804 -1038.9076 0.0000 0.0000 2723.8500 6231.7557 300.8568 3507.9057 6264.0464 301.9332 PRESSURE: 2202000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2202000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2202000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2202000 0 0 0 0 0 0 0 0 0 TIMING: 2202000 CPU: 8863.48, 0.00394088/step Wall: 8863.48, 0.00394088/step, 0.326217 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2202000 681.7102 1797.7915 1984.1252 98.2963 -0.5961 -1072.7124 0.0000 0.0000 2781.2139 6269.8287 307.1928 3488.6147 6307.0146 303.3442 PRESSURE: 2202200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2202200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2202200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2202200 0 0 0 0 0 0 0 0 0 TIMING: 2202200 CPU: 8864.27, 0.0039476/step Wall: 8864.27, 0.0039476/step, 0.326555 hours remaining, 114.421875 MB of memory in use. ENERGY: 2202200 646.1361 1838.1224 1960.6068 104.0164 0.5785 -1059.4199 0.0000 0.0000 2734.0135 6224.0539 301.9794 3490.0404 6257.0262 302.8464 PRESSURE: 2202400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2202400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2202400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2202400 0 0 0 0 0 0 0 0 0 TIMING: 2202400 CPU: 8865.06, 0.00394191/step Wall: 8865.06, 0.00394191/step, 0.325865 hours remaining, 114.421875 MB of memory in use. ENERGY: 2202400 678.7989 1860.8870 1985.9700 107.9107 0.9256 -1101.1091 0.0000 0.0000 2712.3969 6245.7800 299.5918 3533.3831 6276.6573 301.4223 PRESSURE: 2202600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2202600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2202600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2202600 0 0 0 0 0 0 0 0 0 TIMING: 2202600 CPU: 8867.14, 0.0104031/step Wall: 8867.14, 0.0104031/step, 0.85941 hours remaining, 114.421875 MB of memory in use. ENERGY: 2202600 645.4245 1862.6479 1953.8611 118.2636 0.8007 -1111.4985 0.0000 0.0000 2732.1883 6201.6877 301.7778 3469.4994 6234.6012 300.7887 PRESSURE: 2202800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2202800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2202800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2202800 0 0 0 0 0 0 0 0 0 TIMING: 2202800 CPU: 8867.94, 0.003978/step Wall: 8867.94, 0.00397801/step, 0.328406 hours remaining, 114.421875 MB of memory in use. ENERGY: 2202800 665.1483 1826.2269 1970.6703 112.6234 1.3526 -1070.4950 0.0000 0.0000 2685.1702 6190.6968 296.5845 3505.5266 6221.2806 300.5296 PRESSURE: 2203000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2203000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2203000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2203000 0 0 0 0 0 0 0 0 0 TIMING: 2203000 CPU: 8868.73, 0.00394496/step Wall: 8868.73, 0.00394496/step, 0.325459 hours remaining, 114.421875 MB of memory in use. ENERGY: 2203000 668.8395 1847.6991 1950.4285 98.9812 1.9129 -1110.0953 0.0000 0.0000 2709.9720 6167.7379 299.3240 3457.7658 6198.8422 298.4661 PRESSURE: 2203200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2203200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2203200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2203200 0 0 0 0 0 0 0 0 0 TIMING: 2203200 CPU: 8869.51, 0.00394168/step Wall: 8869.51, 0.00394168/step, 0.32497 hours remaining, 114.421875 MB of memory in use. ENERGY: 2203200 635.1313 1848.2816 1952.7059 102.5129 1.7746 -1082.5407 0.0000 0.0000 2707.1587 6165.0242 299.0132 3457.8655 6198.1347 297.0521 PRESSURE: 2203400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2203400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2203400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2203400 0 0 0 0 0 0 0 0 0 TIMING: 2203400 CPU: 8870.3, 0.00393864/step Wall: 8870.3, 0.00393864/step, 0.3245 hours remaining, 114.421875 MB of memory in use. ENERGY: 2203400 647.5775 1811.2825 1971.6821 103.6533 1.0169 -1069.7126 0.0000 0.0000 2761.0737 6226.5734 304.9683 3465.4997 6262.9754 298.6934 PRESSURE: 2203600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2203600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2203600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2203600 0 0 0 0 0 0 0 0 0 TIMING: 2203600 CPU: 8871.09, 0.00394229/step Wall: 8871.09, 0.00394229/step, 0.324582 hours remaining, 114.421875 MB of memory in use. ENERGY: 2203600 693.9691 1801.1601 1967.3568 115.8526 1.2771 -1096.1568 0.0000 0.0000 2735.6252 6219.0842 302.1574 3483.4590 6251.4100 300.9621 PRESSURE: 2203800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2203800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2203800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2203800 0 0 0 0 0 0 0 0 0 TIMING: 2203800 CPU: 8871.88, 0.00394125/step Wall: 8871.88, 0.00394125/step, 0.324278 hours remaining, 114.421875 MB of memory in use. ENERGY: 2203800 710.5464 1850.6360 1937.1474 102.7488 0.6144 -1074.1476 0.0000 0.0000 2662.9064 6190.4517 294.1254 3527.5453 6221.0932 300.5960 PRESSURE: 2204000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2204000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2204000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2204000 0 0 0 0 0 0 0 0 0 TIMING: 2204000 CPU: 8872.67, 0.00394235/step Wall: 8872.67, 0.00394235/step, 0.324148 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2204000 672.4121 1867.3906 1959.5917 106.5095 1.6547 -1104.4145 0.0000 0.0000 2655.6200 6158.7641 293.3206 3503.1441 6190.0389 297.4338 PRESSURE: 2204200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2204200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2204200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2204200 0 0 0 0 0 0 0 0 0 TIMING: 2204200 CPU: 8873.46, 0.00394334/step Wall: 8873.46, 0.00394333/step, 0.324011 hours remaining, 114.421875 MB of memory in use. ENERGY: 2204200 673.4421 1809.0103 1970.9019 101.9498 2.4482 -1061.4567 0.0000 0.0000 2716.8127 6213.1083 300.0795 3496.2956 6246.9912 299.2424 LDB: ============= START OF LOAD BALANCING ============== 8876.41 LDB: ============== END OF LOAD BALANCING =============== 8876.41 LDB: =============== DONE WITH MIGRATION ================ 8876.41 LDB: ============= START OF LOAD BALANCING ============== 8876.81 LDB: ============== END OF LOAD BALANCING =============== 8876.81 LDB: =============== DONE WITH MIGRATION ================ 8876.81 PRESSURE: 2204400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2204400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2204400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2204400 0 0 0 0 0 0 0 0 0 TIMING: 2204400 CPU: 8874.24, 0.00394575/step Wall: 8874.24, 0.00394576/step, 0.323991 hours remaining, 114.421875 MB of memory in use. ENERGY: 2204400 657.6175 1828.5177 1947.8889 111.6273 0.7070 -1078.0258 0.0000 0.0000 2756.5643 6224.8968 304.4702 3468.3326 6259.7161 300.0247 PRESSURE: 2204600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2204600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2204600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2204600 0 0 0 0 0 0 0 0 0 TIMING: 2204600 CPU: 8875.03, 0.00394446/step Wall: 8875.03, 0.00394446/step, 0.323665 hours remaining, 114.421875 MB of memory in use. ENERGY: 2204600 653.3003 1893.6033 1990.2529 106.7271 0.6703 -1105.0744 0.0000 0.0000 2636.7084 6176.1878 291.2318 3539.4794 6205.4478 299.9545 PRESSURE: 2204800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2204800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2204800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2204800 0 0 0 0 0 0 0 0 0 TIMING: 2204800 CPU: 8875.82, 0.00394449/step Wall: 8875.82, 0.00394449/step, 0.323448 hours remaining, 114.421875 MB of memory in use. ENERGY: 2204800 662.4702 1837.4040 1965.4892 117.8303 1.0278 -1059.8740 0.0000 0.0000 2682.3645 6206.7119 296.2746 3524.3474 6238.1951 297.1138 PRESSURE: 2205000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2205000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2205000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2205000 0 0 0 0 0 0 0 0 0 TIMING: 2205000 CPU: 8876.61, 0.00394342/step Wall: 8876.61, 0.00394341/step, 0.323141 hours remaining, 114.421875 MB of memory in use. ENERGY: 2205000 637.8134 1870.1220 1958.8045 99.4179 0.6102 -1074.9807 0.0000 0.0000 2660.6573 6152.4446 293.8770 3491.7873 6184.6907 296.0573 PRESSURE: 2205200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2205200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2205200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2205200 0 0 0 0 0 0 0 0 0 TIMING: 2205200 CPU: 8877.4, 0.00394225/step Wall: 8877.4, 0.00394225/step, 0.322827 hours remaining, 114.421875 MB of memory in use. ENERGY: 2205200 628.6530 1816.7215 1962.5539 98.9014 0.1295 -1048.7301 0.0000 0.0000 2630.8518 6089.0810 290.5849 3458.2292 6118.6952 294.0092 PRESSURE: 2205400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2205400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2205400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2205400 0 0 0 0 0 0 0 0 0 TIMING: 2205400 CPU: 8878.19, 0.00394355/step Wall: 8878.19, 0.00394355/step, 0.322714 hours remaining, 114.421875 MB of memory in use. ENERGY: 2205400 614.6144 1782.9807 1939.2560 105.4754 1.2796 -1097.5352 0.0000 0.0000 2744.3150 6090.3859 303.1172 3346.0709 6123.7327 292.0501 PRESSURE: 2205600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2205600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2205600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2205600 0 0 0 0 0 0 0 0 0 TIMING: 2205600 CPU: 8878.98, 0.00394318/step Wall: 8878.98, 0.00394318/step, 0.322464 hours remaining, 114.421875 MB of memory in use. ENERGY: 2205600 663.9134 1810.8341 1958.8019 101.8129 0.5509 -1093.5480 0.0000 0.0000 2662.9122 6105.2775 294.1261 3442.3653 6138.4893 294.8594 PRESSURE: 2205800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2205800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2205800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2205800 0 0 0 0 0 0 0 0 0 TIMING: 2205800 CPU: 8879.77, 0.00394365/step Wall: 8879.77, 0.00394365/step, 0.322284 hours remaining, 114.421875 MB of memory in use. ENERGY: 2205800 644.8672 1786.7088 1954.3394 103.1470 0.8193 -1106.7086 0.0000 0.0000 2741.5236 6124.6966 302.8089 3383.1730 6159.5001 296.3246 PRESSURE: 2206000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2206000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2206000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2206000 0 0 0 0 0 0 0 0 0 TIMING: 2206000 CPU: 8880.55, 0.00394336/step Wall: 8880.55, 0.00394336/step, 0.322041 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2206000 665.6706 1854.9223 1980.5955 103.1579 -0.4453 -1147.2447 0.0000 0.0000 2637.5524 6094.2087 291.3250 3456.6563 6125.6261 294.5683 PRESSURE: 2206200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2206200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2206200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2206200 0 0 0 0 0 0 0 0 0 TIMING: 2206200 CPU: 8881.34, 0.00394196/step Wall: 8881.34, 0.00394196/step, 0.321707 hours remaining, 114.421875 MB of memory in use. ENERGY: 2206200 648.0791 1853.8940 1955.2987 111.6785 1.9624 -1081.0762 0.0000 0.0000 2649.7660 6139.6024 292.6740 3489.8364 6172.6660 297.0710 PRESSURE: 2206400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2206400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2206400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2206400 0 0 0 0 0 0 0 0 0 TIMING: 2206400 CPU: 8882.13, 0.00394356/step Wall: 8882.13, 0.00394356/step, 0.32162 hours remaining, 114.421875 MB of memory in use. ENERGY: 2206400 667.2630 1825.7076 1957.4737 107.1635 0.4536 -1089.4294 0.0000 0.0000 2688.7465 6157.3785 296.9795 3468.6320 6190.0045 297.5416 PRESSURE: 2206600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2206600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2206600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2206600 0 0 0 0 0 0 0 0 0 TIMING: 2206600 CPU: 8882.92, 0.00394377/step Wall: 8882.92, 0.00394377/step, 0.321417 hours remaining, 114.421875 MB of memory in use. ENERGY: 2206600 637.7173 1848.3201 1969.0297 108.2945 -0.5233 -1072.1701 0.0000 0.0000 2714.4792 6205.1474 299.8218 3490.6683 6239.1895 298.0923 PRESSURE: 2206800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2206800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2206800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2206800 0 0 0 0 0 0 0 0 0 TIMING: 2206800 CPU: 8883.71, 0.00394598/step Wall: 8883.71, 0.00394598/step, 0.321378 hours remaining, 114.421875 MB of memory in use. ENERGY: 2206800 644.1781 1801.3134 1942.2010 107.0317 1.4072 -1065.7282 0.0000 0.0000 2685.5353 6115.9386 296.6249 3430.4032 6148.3471 297.2484 PRESSURE: 2207000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2207000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2207000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2207000 0 0 0 0 0 0 0 0 0 TIMING: 2207000 CPU: 8884.5, 0.00394438/step Wall: 8884.5, 0.00394438/step, 0.321029 hours remaining, 114.421875 MB of memory in use. ENERGY: 2207000 667.8483 1806.1731 1948.5477 109.9354 -0.7307 -1089.6647 0.0000 0.0000 2688.6105 6130.7196 296.9645 3442.1091 6164.1796 294.1598 PRESSURE: 2207200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2207200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2207200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2207200 0 0 0 0 0 0 0 0 0 TIMING: 2207200 CPU: 8885.29, 0.00394252/step Wall: 8885.29, 0.00394252/step, 0.320659 hours remaining, 114.421875 MB of memory in use. ENERGY: 2207200 659.2879 1871.1491 1950.8404 105.0795 -0.1041 -1093.1070 0.0000 0.0000 2633.7338 6126.8795 290.9032 3493.1457 6159.8544 297.4329 PRESSURE: 2207400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2207400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2207400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2207400 0 0 0 0 0 0 0 0 0 TIMING: 2207400 CPU: 8886.08, 0.00394615/step Wall: 8886.08, 0.00394615/step, 0.320734 hours remaining, 114.421875 MB of memory in use. ENERGY: 2207400 653.3743 1821.1717 1960.9538 107.6484 1.6248 -1064.1365 0.0000 0.0000 2706.6386 6187.2751 298.9558 3480.6365 6219.5982 298.3531 PRESSURE: 2207600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2207600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2207600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2207600 0 0 0 0 0 0 0 0 0 TIMING: 2207600 CPU: 8886.87, 0.00394495/step Wall: 8886.87, 0.00394495/step, 0.320417 hours remaining, 114.421875 MB of memory in use. ENERGY: 2207600 650.5667 1847.0106 1951.2788 109.4209 0.8003 -1054.3502 0.0000 0.0000 2676.0021 6180.7293 295.5719 3504.7272 6212.2241 298.7936 PRESSURE: 2207800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2207800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2207800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2207800 0 0 0 0 0 0 0 0 0 TIMING: 2207800 CPU: 8887.65, 0.00394663/step Wall: 8887.65, 0.00394663/step, 0.320335 hours remaining, 114.421875 MB of memory in use. ENERGY: 2207800 657.7417 1825.8111 1940.4352 115.3231 0.2989 -1080.2845 0.0000 0.0000 2696.0843 6155.4099 297.7900 3459.3255 6190.7038 297.1994 PRESSURE: 2208000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2208000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2208000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2208000 0 0 0 0 0 0 0 0 0 TIMING: 2208000 CPU: 8888.44, 0.00394557/step Wall: 8888.44, 0.00394557/step, 0.320029 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2208000 651.7980 1831.5552 1953.0304 108.3508 0.7582 -1098.5057 0.0000 0.0000 2669.1164 6116.1033 294.8113 3446.9869 6148.1957 295.1682 PRESSURE: 2208200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2208200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2208200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2208200 0 0 0 0 0 0 0 0 0 TIMING: 2208200 CPU: 8889.23, 0.00394327/step Wall: 8889.23, 0.00394327/step, 0.319624 hours remaining, 114.421875 MB of memory in use. ENERGY: 2208200 643.8909 1838.9842 1939.7406 91.4530 0.7420 -1065.1573 0.0000 0.0000 2742.1213 6191.7747 302.8749 3449.6534 6225.2284 295.8315 LDB: ============= START OF LOAD BALANCING ============== 8892.19 LDB: ============== END OF LOAD BALANCING =============== 8892.19 LDB: =============== DONE WITH MIGRATION ================ 8892.19 LDB: ============= START OF LOAD BALANCING ============== 8892.59 LDB: ============== END OF LOAD BALANCING =============== 8892.59 LDB: =============== DONE WITH MIGRATION ================ 8892.59 PRESSURE: 2208400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2208400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2208400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2208400 0 0 0 0 0 0 0 0 0 TIMING: 2208400 CPU: 8890.02, 0.00395065/step Wall: 8890.02, 0.00395065/step, 0.320003 hours remaining, 114.421875 MB of memory in use. ENERGY: 2208400 659.6817 1898.1700 1962.1782 108.0209 0.3995 -1094.1583 0.0000 0.0000 2663.9082 6198.2002 294.2361 3534.2920 6229.3183 298.8284 PRESSURE: 2208600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2208600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2208600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2208600 0 0 0 0 0 0 0 0 0 TIMING: 2208600 CPU: 8890.81, 0.00394606/step Wall: 8890.81, 0.00394606/step, 0.319412 hours remaining, 114.421875 MB of memory in use. ENERGY: 2208600 693.7497 1863.4625 1952.4567 110.2095 1.5312 -1130.2518 0.0000 0.0000 2747.9449 6239.1027 303.5182 3491.1578 6273.6468 300.7046 PRESSURE: 2208800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2208800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2208800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2208800 0 0 0 0 0 0 0 0 0 TIMING: 2208800 CPU: 8891.6, 0.00394706/step Wall: 8891.6, 0.00394706/step, 0.319273 hours remaining, 114.421875 MB of memory in use. ENERGY: 2208800 681.7579 1875.9273 1924.8257 103.3058 0.9665 -1093.2577 0.0000 0.0000 2721.7513 6215.2768 300.6250 3493.5254 6248.9483 302.0190 PRESSURE: 2209000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2209000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2209000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2209000 0 0 0 0 0 0 0 0 0 TIMING: 2209000 CPU: 8892.39, 0.00394194/step Wall: 8892.39, 0.00394194/step, 0.318641 hours remaining, 114.421875 MB of memory in use. ENERGY: 2209000 630.8259 1864.2596 1965.7320 116.4355 0.6731 -1078.1784 0.0000 0.0000 2727.0749 6226.8226 301.2130 3499.7477 6263.2822 300.2076 PRESSURE: 2209200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2209200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2209200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2209200 0 0 0 0 0 0 0 0 0 TIMING: 2209200 CPU: 8893.18, 0.00394513/step Wall: 8893.18, 0.00394513/step, 0.318679 hours remaining, 114.421875 MB of memory in use. ENERGY: 2209200 644.6830 1857.0973 1966.5219 108.0211 -0.3787 -1094.0493 0.0000 0.0000 2721.9966 6203.8919 300.6521 3481.8953 6239.1826 301.3855 PRESSURE: 2209400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2209400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2209400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2209400 0 0 0 0 0 0 0 0 0 TIMING: 2209400 CPU: 8893.97, 0.00394246/step Wall: 8893.97, 0.00394246/step, 0.318244 hours remaining, 114.421875 MB of memory in use. ENERGY: 2209400 666.0972 1816.4068 1952.5770 97.3541 0.7006 -1115.5196 0.0000 0.0000 2705.9500 6123.5662 298.8797 3417.6162 6157.3005 296.4256 PRESSURE: 2209600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2209600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2209600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2209600 0 0 0 0 0 0 0 0 0 TIMING: 2209600 CPU: 8894.76, 0.00394561/step Wall: 8894.76, 0.00394561/step, 0.318279 hours remaining, 114.421875 MB of memory in use. ENERGY: 2209600 639.2156 1801.3732 1959.3733 92.7102 -0.0263 -1088.7065 0.0000 0.0000 2720.5343 6124.4737 300.4906 3403.9394 6157.1030 295.0562 PRESSURE: 2209800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2209800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2209800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2209800 0 0 0 0 0 0 0 0 0 TIMING: 2209800 CPU: 8895.55, 0.00394729/step Wall: 8895.55, 0.00394729/step, 0.318195 hours remaining, 114.421875 MB of memory in use. ENERGY: 2209800 666.3019 1844.4664 1974.6672 114.7662 1.4334 -1091.3841 0.0000 0.0000 2608.2404 6118.4913 288.0874 3510.2509 6148.0129 294.3820 PRESSURE: 2210000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2210000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2210000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2210000 0 0 0 0 0 0 0 0 0 TIMING: 2210000 CPU: 8896.33, 0.00394337/step Wall: 8896.33, 0.00394337/step, 0.31766 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2210000 661.6030 1843.2822 1922.3852 99.7560 0.2981 -1067.5493 0.0000 0.0000 2677.1294 6136.9047 295.6964 3459.7753 6168.6600 294.6714 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2210000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2210000 WRITING COORDINATES TO RESTART FILE AT STEP 2210000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2210000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2210200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2210200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2210200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2210200 0 0 0 0 0 0 0 0 0 TIMING: 2210200 CPU: 8897.17, 0.00418791/step Wall: 8897.17, 0.0041879/step, 0.337126 hours remaining, 114.421875 MB of memory in use. ENERGY: 2210200 668.4052 1813.5116 1919.2922 108.4039 0.8740 -1088.2450 0.0000 0.0000 2677.7368 6099.9787 295.7635 3422.2420 6132.0856 294.0341 PRESSURE: 2210400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2210400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2210400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2210400 0 0 0 0 0 0 0 0 0 TIMING: 2210400 CPU: 8897.96, 0.00394428/step Wall: 8897.96, 0.00394428/step, 0.317296 hours remaining, 114.421875 MB of memory in use. ENERGY: 2210400 667.6919 1846.3342 1938.0035 103.1859 0.0714 -1074.1317 0.0000 0.0000 2648.2366 6129.3917 292.5051 3481.1552 6161.6254 294.3224 PRESSURE: 2210600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2210600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2210600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2210600 0 0 0 0 0 0 0 0 0 TIMING: 2210600 CPU: 8898.75, 0.00395087/step Wall: 8898.75, 0.00395087/step, 0.317606 hours remaining, 114.421875 MB of memory in use. ENERGY: 2210600 675.4570 1843.3871 1953.6751 115.0949 0.6281 -1085.5049 0.0000 0.0000 2641.7545 6144.4918 291.7891 3502.7373 6176.0954 295.4252 PRESSURE: 2210800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2210800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2210800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2210800 0 0 0 0 0 0 0 0 0 TIMING: 2210800 CPU: 8899.54, 0.00394194/step Wall: 8899.54, 0.00394194/step, 0.316669 hours remaining, 114.421875 MB of memory in use. ENERGY: 2210800 657.1048 1849.2936 1940.7700 108.7529 -0.3392 -1088.2532 0.0000 0.0000 2673.8679 6141.1969 295.3362 3467.3289 6170.9895 295.8863 PRESSURE: 2211000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2211000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2211000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2211000 0 0 0 0 0 0 0 0 0 TIMING: 2211000 CPU: 8900.33, 0.00394186/step Wall: 8900.33, 0.00394186/step, 0.316444 hours remaining, 114.421875 MB of memory in use. ENERGY: 2211000 662.1297 1848.3784 1953.8056 109.1039 1.3831 -1112.7213 0.0000 0.0000 2644.9688 6107.0482 292.1442 3462.0794 6137.0140 294.4035 PRESSURE: 2211200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2211200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2211200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2211200 0 0 0 0 0 0 0 0 0 TIMING: 2211200 CPU: 8901.12, 0.0039443/step Wall: 8901.12, 0.0039443/step, 0.316421 hours remaining, 114.421875 MB of memory in use. ENERGY: 2211200 638.5910 1833.8691 1942.9945 119.1633 0.6671 -1081.5663 0.0000 0.0000 2674.7180 6128.4367 295.4301 3453.7187 6158.5338 294.0633 PRESSURE: 2211400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2211400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2211400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2211400 0 0 0 0 0 0 0 0 0 TIMING: 2211400 CPU: 8901.9, 0.00394268/step Wall: 8901.9, 0.00394267/step, 0.316071 hours remaining, 114.421875 MB of memory in use. ENERGY: 2211400 684.9036 1805.0107 1962.3649 110.2888 0.6187 -1112.4775 0.0000 0.0000 2742.7112 6193.4204 302.9401 3450.7092 6227.4020 298.4986 PRESSURE: 2211600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2211600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2211600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2211600 0 0 0 0 0 0 0 0 0 TIMING: 2211600 CPU: 8902.69, 0.0039451/step Wall: 8902.69, 0.00394511/step, 0.316047 hours remaining, 114.421875 MB of memory in use. ENERGY: 2211600 625.8567 1851.5880 1956.1184 108.9193 0.5777 -1106.2856 0.0000 0.0000 2699.6054 6136.3799 298.1789 3436.7745 6169.6295 298.6308 PRESSURE: 2211800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2211800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2211800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2211800 0 0 0 0 0 0 0 0 0 TIMING: 2211800 CPU: 8903.48, 0.00394493/step Wall: 8903.48, 0.00394493/step, 0.315814 hours remaining, 114.421875 MB of memory in use. ENERGY: 2211800 640.1447 1841.4258 1947.8678 112.9204 1.5105 -1117.4199 0.0000 0.0000 2645.5410 6071.9902 292.2074 3426.4492 6104.8378 293.9004 PRESSURE: 2212000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2212000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2212000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2212000 0 0 0 0 0 0 0 0 0 TIMING: 2212000 CPU: 8904.27, 0.00394443/step Wall: 8904.27, 0.00394443/step, 0.315554 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2212000 648.6409 1832.3255 1943.3492 100.9207 0.2322 -1102.6323 0.0000 0.0000 2633.7959 6056.6321 290.9101 3422.8362 6088.0935 292.3514 PRESSURE: 2212200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2212200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2212200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2212200 0 0 0 0 0 0 0 0 0 TIMING: 2212200 CPU: 8905.06, 0.00394718/step Wall: 8905.06, 0.00394718/step, 0.315555 hours remaining, 114.421875 MB of memory in use. ENERGY: 2212200 637.7257 1838.2546 1945.6652 114.5277 -0.2517 -1134.5645 0.0000 0.0000 2637.8032 6039.1601 291.3527 3401.3569 6073.9119 292.1893 LDB: ============= START OF LOAD BALANCING ============== 8908.02 LDB: ============== END OF LOAD BALANCING =============== 8908.02 LDB: =============== DONE WITH MIGRATION ================ 8908.02 LDB: ============= START OF LOAD BALANCING ============== 8908.42 LDB: ============== END OF LOAD BALANCING =============== 8908.42 LDB: =============== DONE WITH MIGRATION ================ 8908.42 PRESSURE: 2212400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2212400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2212400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2212400 0 0 0 0 0 0 0 0 0 TIMING: 2212400 CPU: 8905.85, 0.00395032/step Wall: 8905.85, 0.00395032/step, 0.315587 hours remaining, 114.421875 MB of memory in use. ENERGY: 2212400 658.4046 1845.8973 1934.8948 114.2961 0.1935 -1097.2082 0.0000 0.0000 2649.1119 6105.5900 292.6018 3456.4780 6138.5849 294.7863 PRESSURE: 2212600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2212600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2212600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2212600 0 0 0 0 0 0 0 0 0 TIMING: 2212600 CPU: 8906.64, 0.00394607/step Wall: 8906.64, 0.00394607/step, 0.315028 hours remaining, 114.421875 MB of memory in use. ENERGY: 2212600 649.5468 1819.1844 1975.6465 107.3726 1.4641 -1103.9222 0.0000 0.0000 2698.8358 6148.1280 298.0939 3449.2923 6179.6673 297.2922 PRESSURE: 2212800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2212800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2212800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2212800 0 0 0 0 0 0 0 0 0 TIMING: 2212800 CPU: 8907.43, 0.00394488/step Wall: 8907.43, 0.00394488/step, 0.314714 hours remaining, 114.421875 MB of memory in use. ENERGY: 2212800 665.3785 1828.9359 1920.4948 102.7644 -0.2063 -1091.2479 0.0000 0.0000 2708.1766 6134.2961 299.1256 3426.1195 6167.8644 296.0538 PRESSURE: 2213000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2213000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2213000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2213000 0 0 0 0 0 0 0 0 0 TIMING: 2213000 CPU: 8908.22, 0.00394551/step Wall: 8908.22, 0.00394551/step, 0.314545 hours remaining, 114.421875 MB of memory in use. ENERGY: 2213000 670.6379 1806.2709 1954.9605 118.3230 -0.3746 -1090.1257 0.0000 0.0000 2719.5640 6179.2560 300.3834 3459.6920 6214.5405 297.7749 PRESSURE: 2213200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2213200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2213200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2213200 0 0 0 0 0 0 0 0 0 TIMING: 2213200 CPU: 8909.01, 0.00394685/step Wall: 8909.01, 0.00394685/step, 0.314432 hours remaining, 114.421875 MB of memory in use. ENERGY: 2213200 668.9961 1887.0958 1949.3187 113.2579 -0.0391 -1107.4119 0.0000 0.0000 2737.1678 6248.3852 302.3278 3511.2174 6281.8797 302.1695 PRESSURE: 2213400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2213400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2213400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2213400 0 0 0 0 0 0 0 0 0 TIMING: 2213400 CPU: 8909.8, 0.00394618/step Wall: 8909.8, 0.00394618/step, 0.314159 hours remaining, 114.421875 MB of memory in use. ENERGY: 2213400 665.9392 1806.9532 1979.7896 113.9751 -1.0501 -1106.1479 0.0000 0.0000 2770.1618 6229.6210 305.9721 3459.4592 6264.3499 303.7041 PRESSURE: 2213600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2213600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2213600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2213600 0 0 0 0 0 0 0 0 0 TIMING: 2213600 CPU: 8910.59, 0.00394666/step Wall: 8910.59, 0.00394666/step, 0.313979 hours remaining, 114.421875 MB of memory in use. ENERGY: 2213600 654.1479 1857.9046 1968.5166 100.9478 -1.0435 -1105.6728 0.0000 0.0000 2731.0805 6205.8811 301.6554 3474.8007 6240.5165 300.3003 PRESSURE: 2213800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2213800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2213800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2213800 0 0 0 0 0 0 0 0 0 TIMING: 2213800 CPU: 8911.38, 0.00394467/step Wall: 8911.38, 0.00394467/step, 0.313601 hours remaining, 114.421875 MB of memory in use. ENERGY: 2213800 644.1049 1910.7279 1954.7509 115.1983 0.5225 -1107.5211 0.0000 0.0000 2699.7438 6217.5273 298.1942 3517.7835 6249.2456 299.6379 PRESSURE: 2214000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2214000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2214000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2214000 0 0 0 0 0 0 0 0 0 TIMING: 2214000 CPU: 8912.16, 0.00394664/step Wall: 8912.16, 0.00394664/step, 0.313539 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2214000 674.5144 1811.1123 1976.3609 104.0147 0.1929 -1093.9677 0.0000 0.0000 2761.0243 6233.2518 304.9628 3472.2275 6268.8720 300.7357 PRESSURE: 2214200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2214200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2214200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2214200 0 0 0 0 0 0 0 0 0 TIMING: 2214200 CPU: 8912.95, 0.00394544/step Wall: 8912.95, 0.00394544/step, 0.313224 hours remaining, 114.421875 MB of memory in use. ENERGY: 2214200 678.8209 1811.8520 1929.9215 113.0401 0.7657 -1075.6284 0.0000 0.0000 2753.0984 6211.8700 304.0874 3458.7717 6243.1869 301.4013 PRESSURE: 2214400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2214400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2214400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2214400 0 0 0 0 0 0 0 0 0 TIMING: 2214400 CPU: 8913.74, 0.00394732/step Wall: 8913.74, 0.00394732/step, 0.313154 hours remaining, 114.421875 MB of memory in use. ENERGY: 2214400 643.2933 1852.5653 1976.1585 120.3911 -0.4338 -1060.6387 0.0000 0.0000 2707.9649 6239.3006 299.1023 3531.3357 6271.5674 301.7194 PRESSURE: 2214600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2214600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2214600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2214600 0 0 0 0 0 0 0 0 0 TIMING: 2214600 CPU: 8914.53, 0.00394649/step Wall: 8914.53, 0.00394649/step, 0.312869 hours remaining, 114.421875 MB of memory in use. ENERGY: 2214600 631.0267 1850.9441 1962.4505 118.4181 -0.7675 -1062.9289 0.0000 0.0000 2798.7566 6297.8996 309.1305 3499.1430 6334.6029 303.7052 PRESSURE: 2214800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2214800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2214800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2214800 0 0 0 0 0 0 0 0 0 TIMING: 2214800 CPU: 8915.32, 0.00394263/step Wall: 8915.32, 0.00394263/step, 0.312344 hours remaining, 114.421875 MB of memory in use. ENERGY: 2214800 652.7419 1892.9643 1985.1680 121.9491 0.0977 -1111.4026 0.0000 0.0000 2787.1023 6328.6207 307.8432 3541.5183 6362.3943 305.0583 PRESSURE: 2215000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2215000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2215000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2215000 0 0 0 0 0 0 0 0 0 TIMING: 2215000 CPU: 8916.11, 0.00394683/step Wall: 8916.11, 0.00394683/step, 0.312457 hours remaining, 114.421875 MB of memory in use. ENERGY: 2215000 646.6771 1911.4697 1945.0636 104.5530 2.1624 -1053.7028 0.0000 0.0000 2740.6100 6296.8330 302.7080 3556.2230 6331.7981 307.4861 PRESSURE: 2215200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2215200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2215200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2215200 0 0 0 0 0 0 0 0 0 TIMING: 2215200 CPU: 8916.9, 0.0039467/step Wall: 8916.9, 0.0039467/step, 0.312228 hours remaining, 114.421875 MB of memory in use. ENERGY: 2215200 645.4901 1877.3190 1936.4561 110.0215 0.6142 -1076.6980 0.0000 0.0000 2768.5098 6261.7127 305.7896 3493.2029 6295.4230 303.3766 PRESSURE: 2215400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2215400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2215400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2215400 0 0 0 0 0 0 0 0 0 TIMING: 2215400 CPU: 8917.69, 0.00394667/step Wall: 8917.69, 0.00394667/step, 0.312006 hours remaining, 114.421875 MB of memory in use. ENERGY: 2215400 649.9118 1881.9208 1925.9754 115.9492 1.3311 -1029.2926 0.0000 0.0000 2672.0057 6217.8014 295.1305 3545.7957 6250.4386 301.2741 PRESSURE: 2215600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2215600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2215600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2215600 0 0 0 0 0 0 0 0 0 TIMING: 2215600 CPU: 8918.48, 0.00394344/step Wall: 8918.48, 0.00394344/step, 0.311532 hours remaining, 114.421875 MB of memory in use. ENERGY: 2215600 630.1028 1816.2672 1967.2898 110.4141 1.1036 -1070.5766 0.0000 0.0000 2698.4186 6153.0195 298.0478 3454.6009 6187.5292 297.8619 PRESSURE: 2215800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2215800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2215800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2215800 0 0 0 0 0 0 0 0 0 TIMING: 2215800 CPU: 8919.27, 0.00394564/step Wall: 8919.27, 0.00394564/step, 0.311486 hours remaining, 114.421875 MB of memory in use. ENERGY: 2215800 629.7278 1839.2442 1926.1296 98.1407 1.1594 -1094.5171 0.0000 0.0000 2720.2286 6120.1133 300.4568 3399.8847 6151.6294 296.1716 PRESSURE: 2216000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2216000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2216000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2216000 0 0 0 0 0 0 0 0 0 TIMING: 2216000 CPU: 8920.06, 0.00394534/step Wall: 8920.06, 0.00394534/step, 0.311243 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2216000 678.3861 1863.4876 1941.1431 105.0660 2.3686 -1148.3545 0.0000 0.0000 2662.9520 6105.0490 294.1305 3442.0969 6138.1179 296.0355 PRESSURE: 2216200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2216200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2216200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2216200 0 0 0 0 0 0 0 0 0 TIMING: 2216200 CPU: 8920.85, 0.00394605/step Wall: 8920.85, 0.00394605/step, 0.31108 hours remaining, 114.421875 MB of memory in use. ENERGY: 2216200 657.5539 1898.1831 1916.1388 111.1488 2.8474 -1068.5718 0.0000 0.0000 2664.9776 6182.2778 294.3542 3517.3002 6214.9607 298.0955 LDB: ============= START OF LOAD BALANCING ============== 8923.8 LDB: ============== END OF LOAD BALANCING =============== 8923.8 LDB: =============== DONE WITH MIGRATION ================ 8923.8 LDB: ============= START OF LOAD BALANCING ============== 8924.2 LDB: ============== END OF LOAD BALANCING =============== 8924.2 LDB: =============== DONE WITH MIGRATION ================ 8924.2 PRESSURE: 2216400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2216400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2216400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2216400 0 0 0 0 0 0 0 0 0 TIMING: 2216400 CPU: 8921.64, 0.00395086/step Wall: 8921.64, 0.00395085/step, 0.31124 hours remaining, 114.421875 MB of memory in use. ENERGY: 2216400 674.7076 1833.2850 1931.5254 107.9752 1.6268 -1046.6388 0.0000 0.0000 2684.5496 6187.0307 296.5160 3502.4811 6217.9705 296.9476 PRESSURE: 2216600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2216600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2216600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2216600 0 0 0 0 0 0 0 0 0 TIMING: 2216600 CPU: 8922.42, 0.00394482/step Wall: 8922.42, 0.00394482/step, 0.310545 hours remaining, 114.421875 MB of memory in use. ENERGY: 2216600 661.5169 1873.5302 1962.7007 112.2138 1.6164 -1071.8685 0.0000 0.0000 2659.7343 6199.4438 293.7751 3539.7096 6230.6597 296.8116 PRESSURE: 2216800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2216800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2216800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2216800 0 0 0 0 0 0 0 0 0 TIMING: 2216800 CPU: 8923.21, 0.00394744/step Wall: 8923.21, 0.00394744/step, 0.310532 hours remaining, 114.421875 MB of memory in use. ENERGY: 2216800 645.2978 1842.3342 1956.7785 99.3496 2.2854 -1081.6955 0.0000 0.0000 2714.2617 6178.6117 299.7978 3464.3500 6214.8285 299.3166 PRESSURE: 2217000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2217000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2217000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2217000 0 0 0 0 0 0 0 0 0 TIMING: 2217000 CPU: 8924, 0.00394627/step Wall: 8924, 0.00394626/step, 0.31022 hours remaining, 114.421875 MB of memory in use. ENERGY: 2217000 694.9717 1826.0107 1976.4963 111.7825 1.4719 -1045.0318 0.0000 0.0000 2698.1940 6263.8953 298.0230 3565.7013 6296.7612 299.6631 PRESSURE: 2217200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2217200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2217200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2217200 0 0 0 0 0 0 0 0 0 TIMING: 2217200 CPU: 8924.79, 0.00394773/step Wall: 8924.79, 0.00394773/step, 0.310117 hours remaining, 114.421875 MB of memory in use. ENERGY: 2217200 684.1222 1872.4489 1973.4914 112.6602 1.5972 -1056.5896 0.0000 0.0000 2716.9450 6304.6751 300.0941 3587.7302 6339.0439 303.2662 PRESSURE: 2217400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2217400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2217400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2217400 0 0 0 0 0 0 0 0 0 TIMING: 2217400 CPU: 8925.58, 0.00394799/step Wall: 8925.58, 0.00394799/step, 0.309917 hours remaining, 114.421875 MB of memory in use. ENERGY: 2217400 682.0165 1904.3821 1932.7200 98.5498 2.1483 -1086.8407 0.0000 0.0000 2689.9284 6222.9044 297.1101 3532.9760 6251.3948 303.2232 PRESSURE: 2217600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2217600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2217600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2217600 0 0 0 0 0 0 0 0 0 TIMING: 2217600 CPU: 8926.37, 0.00395437/step Wall: 8926.37, 0.00395437/step, 0.310199 hours remaining, 114.421875 MB of memory in use. ENERGY: 2217600 685.7875 1862.8185 1935.9946 106.7637 2.0629 -1113.8186 0.0000 0.0000 2646.9833 6126.5919 292.3667 3479.6085 6161.5405 297.9845 PRESSURE: 2217800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2217800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2217800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2217800 0 0 0 0 0 0 0 0 0 TIMING: 2217800 CPU: 8927.16, 0.00395097/step Wall: 8927.16, 0.00395097/step, 0.309712 hours remaining, 114.421875 MB of memory in use. ENERGY: 2217800 678.1057 1829.3622 1948.7486 101.6233 2.0388 -1109.7573 0.0000 0.0000 2716.5100 6166.6314 300.0461 3450.1214 6196.9373 298.7582 PRESSURE: 2218000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2218000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2218000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2218000 0 0 0 0 0 0 0 0 0 TIMING: 2218000 CPU: 8927.95, 0.00394786/step Wall: 8927.95, 0.00394787/step, 0.30925 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2218000 658.9541 1841.7235 1942.5781 115.3824 2.9906 -1093.6504 0.0000 0.0000 2712.7210 6180.6993 299.6276 3467.9784 6212.7063 298.3784 PRESSURE: 2218200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2218200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2218200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2218200 0 0 0 0 0 0 0 0 0 TIMING: 2218200 CPU: 8928.74, 0.00394585/step Wall: 8928.74, 0.00394585/step, 0.308872 hours remaining, 114.421875 MB of memory in use. ENERGY: 2218200 660.3174 1882.3633 1960.7421 116.2489 1.8887 -1101.7469 0.0000 0.0000 2644.2809 6164.0944 292.0682 3519.8136 6195.0644 300.0542 PRESSURE: 2218400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2218400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2218400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2218400 0 0 0 0 0 0 0 0 0 TIMING: 2218400 CPU: 8929.53, 0.00394405/step Wall: 8929.53, 0.00394405/step, 0.308512 hours remaining, 114.421875 MB of memory in use. ENERGY: 2218400 635.8004 1852.7024 1936.2343 110.4400 1.3830 -1084.7032 0.0000 0.0000 2730.5713 6182.4283 301.5992 3451.8570 6217.0517 299.0550 PRESSURE: 2218600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2218600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2218600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2218600 0 0 0 0 0 0 0 0 0 TIMING: 2218600 CPU: 8930.32, 0.0039426/step Wall: 8930.32, 0.0039426/step, 0.30818 hours remaining, 114.421875 MB of memory in use. ENERGY: 2218600 664.4178 1856.8874 1933.3728 117.1070 2.1005 -1099.2242 0.0000 0.0000 2657.0130 6131.6743 293.4745 3474.6613 6163.3868 297.2725 PRESSURE: 2218800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2218800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2218800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2218800 0 0 0 0 0 0 0 0 0 TIMING: 2218800 CPU: 8931.11, 0.0039459/step Wall: 8931.11, 0.0039459/step, 0.308219 hours remaining, 114.421875 MB of memory in use. ENERGY: 2218800 626.9964 1876.2505 1920.1600 106.4904 3.4555 -1081.5367 0.0000 0.0000 2670.9235 6122.7397 295.0109 3451.8162 6157.3022 295.3828 PRESSURE: 2219000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2219000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2219000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2219000 0 0 0 0 0 0 0 0 0 TIMING: 2219000 CPU: 8931.9, 0.00394317/step Wall: 8931.9, 0.00394317/step, 0.307786 hours remaining, 114.421875 MB of memory in use. ENERGY: 2219000 674.9269 1815.8254 1947.1041 110.3547 1.7971 -1085.7971 0.0000 0.0000 2612.0332 6076.2442 288.5063 3464.2110 6108.5588 294.3637 PRESSURE: 2219200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2219200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2219200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2219200 0 0 0 0 0 0 0 0 0 TIMING: 2219200 CPU: 8932.69, 0.00394406/step Wall: 8932.69, 0.00394406/step, 0.307637 hours remaining, 114.421875 MB of memory in use. ENERGY: 2219200 658.9676 1850.4517 1929.2103 102.2040 1.3663 -1081.0088 0.0000 0.0000 2672.5155 6133.7066 295.1868 3461.1912 6167.0535 294.8856 PRESSURE: 2219400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2219400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2219400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2219400 0 0 0 0 0 0 0 0 0 TIMING: 2219400 CPU: 8933.47, 0.0039435/step Wall: 8933.47, 0.0039435/step, 0.307374 hours remaining, 114.421875 MB of memory in use. ENERGY: 2219400 641.3716 1839.7428 1963.6975 105.6636 1.3458 -1077.1238 0.0000 0.0000 2655.4335 6130.1311 293.3000 3474.6976 6162.1565 296.6376 PRESSURE: 2219600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2219600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2219600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2219600 0 0 0 0 0 0 0 0 0 TIMING: 2219600 CPU: 8934.26, 0.0039438/step Wall: 8934.26, 0.0039438/step, 0.307178 hours remaining, 114.421875 MB of memory in use. ENERGY: 2219600 641.9196 1866.7286 1953.5973 109.6677 2.7367 -1090.0987 0.0000 0.0000 2706.1838 6190.7351 298.9055 3484.5512 6226.1852 295.8736 PRESSURE: 2219800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2219800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2219800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2219800 0 0 0 0 0 0 0 0 0 TIMING: 2219800 CPU: 8935.05, 0.00394451/step Wall: 8935.05, 0.00394451/step, 0.307015 hours remaining, 114.421875 MB of memory in use. ENERGY: 2219800 667.5825 1889.1919 1937.0962 107.1118 0.9620 -1108.6562 0.0000 0.0000 2676.3154 6169.6035 295.6065 3493.2881 6200.1550 299.6101 PRESSURE: 2220000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2220000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2220000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2220000 0 0 0 0 0 0 0 0 0 TIMING: 2220000 CPU: 8935.84, 0.00394407/step Wall: 8935.84, 0.00394407/step, 0.306761 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2220000 642.1503 1865.0062 1973.9695 119.5620 0.8662 -1077.2851 0.0000 0.0000 2685.3768 6209.6458 296.6073 3524.2690 6240.9946 299.2156 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2220000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2220000 WRITING COORDINATES TO RESTART FILE AT STEP 2220000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2220000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2220200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2220200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2220200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2220200 0 0 0 0 0 0 0 0 0 TIMING: 2220200 CPU: 8936.67, 0.00413644/step Wall: 8936.67, 0.00413644/step, 0.321493 hours remaining, 114.421875 MB of memory in use. ENERGY: 2220200 632.2693 1955.7766 1940.1368 104.8205 1.5189 -1114.7614 0.0000 0.0000 2707.8373 6227.5980 299.0882 3519.7607 6258.9236 299.7523 LDB: ============= START OF LOAD BALANCING ============== 8939.63 LDB: ============== END OF LOAD BALANCING =============== 8939.63 LDB: =============== DONE WITH MIGRATION ================ 8939.63 LDB: ============= START OF LOAD BALANCING ============== 8940.02 LDB: ============== END OF LOAD BALANCING =============== 8940.02 LDB: =============== DONE WITH MIGRATION ================ 8940.02 PRESSURE: 2220400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2220400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2220400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2220400 0 0 0 0 0 0 0 0 0 TIMING: 2220400 CPU: 8937.46, 0.00394816/step Wall: 8937.46, 0.00394816/step, 0.30664 hours remaining, 114.421875 MB of memory in use. ENERGY: 2220400 649.9068 1830.5638 1930.2282 104.4699 0.8880 -1063.9924 0.0000 0.0000 2738.3197 6190.3841 302.4550 3452.0643 6223.3330 298.8794 PRESSURE: 2220600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2220600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2220600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2220600 0 0 0 0 0 0 0 0 0 TIMING: 2220600 CPU: 8938.25, 0.00394452/step Wall: 8938.25, 0.00394452/step, 0.306139 hours remaining, 114.421875 MB of memory in use. ENERGY: 2220600 639.1307 1838.4179 1960.6321 97.7085 1.6364 -1071.1488 0.0000 0.0000 2733.7957 6200.1723 301.9553 3466.3767 6236.5873 299.1210 PRESSURE: 2220800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2220800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2220800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2220800 0 0 0 0 0 0 0 0 0 TIMING: 2220800 CPU: 8939.04, 0.00396307/step Wall: 8939.04, 0.00396307/step, 0.307358 hours remaining, 114.421875 MB of memory in use. ENERGY: 2220800 654.8836 1842.2563 1928.0488 129.8155 1.3890 -1067.2440 0.0000 0.0000 2717.3629 6206.5120 300.1403 3489.1492 6239.3733 299.0815 PRESSURE: 2221000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2221000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2221000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2221000 0 0 0 0 0 0 0 0 0 TIMING: 2221000 CPU: 8939.83, 0.00394961/step Wall: 8939.83, 0.00394961/step, 0.306094 hours remaining, 114.421875 MB of memory in use. ENERGY: 2221000 640.5877 1836.7718 1956.7950 111.9272 0.8209 -1056.9680 0.0000 0.0000 2761.5587 6251.4932 305.0219 3489.9345 6287.6006 300.8170 PRESSURE: 2221200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2221200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2221200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2221200 0 0 0 0 0 0 0 0 0 TIMING: 2221200 CPU: 8940.62, 0.00394946/step Wall: 8940.62, 0.00394946/step, 0.305863 hours remaining, 114.421875 MB of memory in use. ENERGY: 2221200 651.4865 1862.9713 1936.4490 97.7797 0.9700 -1055.2112 0.0000 0.0000 2777.8056 6272.2508 306.8164 3494.4452 6305.5672 302.9327 PRESSURE: 2221400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2221400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2221400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2221400 0 0 0 0 0 0 0 0 0 TIMING: 2221400 CPU: 8941.41, 0.00394343/step Wall: 8941.41, 0.00394343/step, 0.305178 hours remaining, 114.421875 MB of memory in use. ENERGY: 2221400 633.9041 1850.0856 1940.6872 104.8477 2.1258 -1059.2698 0.0000 0.0000 2719.7845 6192.1651 300.4078 3472.3806 6225.6091 302.6401 PRESSURE: 2221600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2221600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2221600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2221600 0 0 0 0 0 0 0 0 0 TIMING: 2221600 CPU: 8942.2, 0.00394867/step Wall: 8942.2, 0.00394867/step, 0.305364 hours remaining, 114.421875 MB of memory in use. ENERGY: 2221600 646.9859 1861.7627 1930.7109 107.1744 0.2037 -1027.6420 0.0000 0.0000 2630.2488 6149.4444 290.5183 3519.1956 6180.7098 297.2759 PRESSURE: 2221800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2221800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2221800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2221800 0 0 0 0 0 0 0 0 0 TIMING: 2221800 CPU: 8942.99, 0.00394954/step Wall: 8942.99, 0.00394954/step, 0.305211 hours remaining, 114.421875 MB of memory in use. ENERGY: 2221800 635.5730 1853.6356 1936.1925 109.7905 1.5703 -1048.6446 0.0000 0.0000 2704.9870 6193.1043 298.7733 3488.1173 6228.2267 296.9775 PRESSURE: 2222000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2222000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2222000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2222000 0 0 0 0 0 0 0 0 0 TIMING: 2222000 CPU: 8943.78, 0.00394885/step Wall: 8943.78, 0.00394885/step, 0.304939 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2222000 672.8485 1869.7224 1930.6336 102.5908 0.5704 -1064.5498 0.0000 0.0000 2725.4069 6237.2228 301.0288 3511.8158 6271.7624 298.4167 PRESSURE: 2222200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2222200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2222200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2222200 0 0 0 0 0 0 0 0 0 TIMING: 2222200 CPU: 8944.57, 0.00394822/step Wall: 8944.57, 0.00394822/step, 0.304671 hours remaining, 114.421875 MB of memory in use. ENERGY: 2222200 654.9743 1795.9365 1953.6797 102.5963 1.6669 -1082.5659 0.0000 0.0000 2762.8487 6189.1365 305.1643 3426.2878 6226.3591 300.7316 PRESSURE: 2222400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2222400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2222400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2222400 0 0 0 0 0 0 0 0 0 TIMING: 2222400 CPU: 8945.36, 0.00394178/step Wall: 8945.36, 0.00394178/step, 0.303955 hours remaining, 114.421875 MB of memory in use. ENERGY: 2222400 672.5257 1827.9392 1945.8909 99.6402 1.5413 -1093.7405 0.0000 0.0000 2740.3202 6194.1170 302.6760 3453.7969 6229.3019 299.7945 PRESSURE: 2222600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2222600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2222600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2222600 0 0 0 0 0 0 0 0 0 TIMING: 2222600 CPU: 8946.15, 0.00394756/step Wall: 8946.15, 0.00394756/step, 0.304182 hours remaining, 114.421875 MB of memory in use. ENERGY: 2222600 658.6416 1857.6909 1939.8512 100.6402 1.1826 -1060.5204 0.0000 0.0000 2690.2012 6187.6873 297.1402 3497.4861 6220.2055 299.6533 PRESSURE: 2222800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2222800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2222800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2222800 0 0 0 0 0 0 0 0 0 TIMING: 2222800 CPU: 8946.93, 0.00394889/step Wall: 8946.93, 0.00394889/step, 0.304065 hours remaining, 114.421875 MB of memory in use. ENERGY: 2222800 671.0629 1849.0167 1953.0123 117.2919 1.2838 -1095.3779 0.0000 0.0000 2697.9260 6194.2158 297.9934 3496.2898 6229.6357 299.8842 PRESSURE: 2223000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2223000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2223000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2223000 0 0 0 0 0 0 0 0 0 TIMING: 2223000 CPU: 8947.73, 0.00395046/step Wall: 8947.73, 0.00395046/step, 0.303966 hours remaining, 114.421875 MB of memory in use. ENERGY: 2223000 661.5028 1841.7996 1945.6186 129.7876 0.6394 -1050.7192 0.0000 0.0000 2646.5893 6175.2180 292.3232 3528.6287 6205.5508 298.5746 PRESSURE: 2223200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2223200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2223200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2223200 0 0 0 0 0 0 0 0 0 TIMING: 2223200 CPU: 8948.51, 0.00394472/step Wall: 8948.51, 0.00394472/step, 0.303305 hours remaining, 114.421875 MB of memory in use. ENERGY: 2223200 626.0415 1831.4290 1954.5035 110.5138 1.2604 -1064.0199 0.0000 0.0000 2680.5915 6140.3199 296.0788 3459.7284 6172.8326 297.1024 PRESSURE: 2223400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2223400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2223400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2223400 0 0 0 0 0 0 0 0 0 TIMING: 2223400 CPU: 8949.3, 0.00395021/step Wall: 8949.3, 0.00395021/step, 0.303507 hours remaining, 114.421875 MB of memory in use. ENERGY: 2223400 683.2746 1856.7598 1962.5915 106.2412 0.7160 -1085.3351 0.0000 0.0000 2642.7616 6167.0097 291.9004 3524.2481 6198.2213 295.4576 PRESSURE: 2223600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2223600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2223600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2223600 0 0 0 0 0 0 0 0 0 TIMING: 2223600 CPU: 8950.09, 0.00394836/step Wall: 8950.09, 0.00394836/step, 0.303146 hours remaining, 114.421875 MB of memory in use. ENERGY: 2223600 633.0030 1857.2963 1944.6607 109.4417 1.1714 -1066.1988 0.0000 0.0000 2729.2058 6208.5800 301.4484 3479.3742 6240.7124 299.6995 PRESSURE: 2223800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2223800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2223800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2223800 0 0 0 0 0 0 0 0 0 TIMING: 2223800 CPU: 8950.88, 0.00394922/step Wall: 8950.88, 0.00394922/step, 0.302993 hours remaining, 114.421875 MB of memory in use. ENERGY: 2223800 681.7130 1841.1543 1970.4498 106.3321 -0.6489 -1063.2080 0.0000 0.0000 2736.5788 6272.3710 302.2628 3535.7922 6302.4389 301.1326 PRESSURE: 2224000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2224000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2224000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2224000 0 0 0 0 0 0 0 0 0 TIMING: 2224000 CPU: 8951.67, 0.0039499/step Wall: 8951.67, 0.0039499/step, 0.302826 hours remaining, 114.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2224000 698.5312 1794.3230 1968.5481 101.5794 0.1658 -1076.9070 0.0000 0.0000 2705.0544 6191.2949 298.7808 3486.2405 6224.6106 299.9326 PRESSURE: 2224200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2224200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2224200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2224200 0 0 0 0 0 0 0 0 0 TIMING: 2224200 CPU: 8952.46, 0.00394382/step Wall: 8952.46, 0.00394382/step, 0.30214 hours remaining, 114.421875 MB of memory in use. ENERGY: 2224200 623.1245 1832.6491 1974.0534 99.8575 -0.0182 -1054.5975 0.0000 0.0000 2643.0348 6118.1036 291.9306 3475.0689 6149.8726 295.7217 LDB: ============= START OF LOAD BALANCING ============== 8955.42 LDB: ============== END OF LOAD BALANCING =============== 8955.42 LDB: =============== DONE WITH MIGRATION ================ 8955.42 LDB: ============= START OF LOAD BALANCING ============== 8955.82 LDB: ============== END OF LOAD BALANCING =============== 8955.82 LDB: =============== DONE WITH MIGRATION ================ 8955.82 PRESSURE: 2224400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2224400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2224400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2224400 0 0 0 0 0 0 0 0 0 TIMING: 2224400 CPU: 8953.25, 0.00395223/step Wall: 8953.25, 0.00395223/step, 0.302565 hours remaining, 114.421875 MB of memory in use. ENERGY: 2224400 628.9610 1825.8671 1945.2722 111.2736 1.2382 -1072.3080 0.0000 0.0000 2647.9117 6088.2156 292.4692 3440.3039 6118.4253 293.3026 PRESSURE: 2224600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2224600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2224600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2224600 0 0 0 0 0 0 0 0 0 TIMING: 2224600 CPU: 8954.04, 0.00394621/step Wall: 8954.04, 0.00394622/step, 0.301886 hours remaining, 114.421875 MB of memory in use. ENERGY: 2224600 636.3999 1817.6626 1986.1265 110.2362 -1.0750 -1102.5015 0.0000 0.0000 2671.6450 6118.4937 295.0906 3446.8487 6151.8176 294.4241 PRESSURE: 2224800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2224800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2224800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2224800 0 0 0 0 0 0 0 0 0 TIMING: 2224800 CPU: 8954.83, 0.00394562/step Wall: 8954.83, 0.00394562/step, 0.30162 hours remaining, 114.421875 MB of memory in use. ENERGY: 2224800 666.6436 1845.9060 1970.4453 107.9253 0.4311 -1091.8335 0.0000 0.0000 2635.6696 6135.1875 291.1171 3499.5179 6166.1315 294.8124 PRESSURE: 2225000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2225000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2225000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2225000 0 0 0 0 0 0 0 0 0 TIMING: 2225000 CPU: 8955.62, 0.00394725/step Wall: 8955.62, 0.00394725/step, 0.301526 hours remaining, 114.421875 MB of memory in use. ENERGY: 2225000 661.8566 1814.6505 1967.4341 108.3397 0.9749 -1126.1577 0.0000 0.0000 2681.6932 6108.7912 296.2005 3427.0980 6141.5706 294.4596 PRESSURE: 2225200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2225200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2225200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2225200 0 0 0 0 0 0 0 0 0 TIMING: 2225200 CPU: 8956.41, 0.00394271/step Wall: 8956.41, 0.00394271/step, 0.300961 hours remaining, 114.421875 MB of memory in use. ENERGY: 2225200 641.8232 1864.2180 1976.6402 108.1078 -0.1187 -1066.7196 0.0000 0.0000 2660.9971 6184.9481 293.9145 3523.9510 6216.4680 295.9568 PRESSURE: 2225400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2225400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2225400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2225400 0 0 0 0 0 0 0 0 0 TIMING: 2225400 CPU: 8957.2, 0.0039441/step Wall: 8957.2, 0.0039441/step, 0.300847 hours remaining, 114.421875 MB of memory in use. ENERGY: 2225400 643.3247 1877.8861 1942.0107 109.3948 1.7865 -1086.6198 0.0000 0.0000 2690.9566 6178.7396 297.2237 3487.7830 6209.1212 297.2105 PRESSURE: 2225600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2225600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2225600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2225600 0 0 0 0 0 0 0 0 0 TIMING: 2225600 CPU: 8957.99, 0.00394421/step Wall: 8957.99, 0.00394421/step, 0.300636 hours remaining, 114.421875 MB of memory in use. ENERGY: 2225600 643.9161 1854.3805 1980.9287 107.3063 1.9613 -1067.9318 0.0000 0.0000 2689.9519 6210.5129 297.1127 3520.5611 6246.4491 297.2365 PRESSURE: 2225800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2225800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2225800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2225800 0 0 0 0 0 0 0 0 0 TIMING: 2225800 CPU: 8958.78, 0.00394472/step Wall: 8958.78, 0.00394472/step, 0.300456 hours remaining, 114.542969 MB of memory in use. ENERGY: 2225800 652.1235 1878.2909 1954.7293 113.9877 0.6358 -1091.4011 0.0000 0.0000 2704.7559 6213.1219 298.7478 3508.3660 6243.3535 299.8171 PRESSURE: 2226000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2226000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2226000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2226000 0 0 0 0 0 0 0 0 0 TIMING: 2226000 CPU: 8959.56, 0.00394174/step Wall: 8959.56, 0.00394174/step, 0.30001 hours remaining, 114.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2226000 654.9270 1867.4878 1948.3609 111.4863 0.6827 -1095.4617 0.0000 0.0000 2689.8688 6177.3517 297.1035 3487.4829 6212.9860 299.1208 PRESSURE: 2226200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2226200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2226200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2226200 0 0 0 0 0 0 0 0 0 TIMING: 2226200 CPU: 8960.35, 0.0039458/step Wall: 8960.35, 0.0039458/step, 0.3001 hours remaining, 114.542969 MB of memory in use. ENERGY: 2226200 653.0540 1827.9717 1967.7356 101.9500 0.9246 -1092.2096 0.0000 0.0000 2743.8353 6203.2616 303.0643 3459.4263 6236.5250 299.2392 PRESSURE: 2226400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2226400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2226400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2226400 0 0 0 0 0 0 0 0 0 TIMING: 2226400 CPU: 8961.14, 0.00394652/step Wall: 8961.14, 0.00394652/step, 0.299935 hours remaining, 114.542969 MB of memory in use. ENERGY: 2226400 672.7725 1829.3267 1974.7316 114.0346 1.5339 -1090.0204 0.0000 0.0000 2676.1806 6178.5595 295.5916 3502.3788 6210.4573 298.9135 PRESSURE: 2226600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2226600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2226600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2226600 0 0 0 0 0 0 0 0 0 TIMING: 2226600 CPU: 8961.93, 0.00394579/step Wall: 8961.93, 0.00394579/step, 0.299661 hours remaining, 114.542969 MB of memory in use. ENERGY: 2226600 673.4526 1815.7815 1958.5150 103.2602 1.0525 -1095.0292 0.0000 0.0000 2690.9320 6147.9646 297.2209 3457.0326 6181.8072 296.9882 PRESSURE: 2226800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2226800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2226800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2226800 0 0 0 0 0 0 0 0 0 TIMING: 2226800 CPU: 8962.72, 0.00394724/step Wall: 8962.72, 0.00394724/step, 0.299552 hours remaining, 114.542969 MB of memory in use. ENERGY: 2226800 630.7149 1866.3456 1933.1052 113.1917 1.0768 -1060.4194 0.0000 0.0000 2684.4521 6168.4671 296.5052 3484.0149 6201.3819 296.2135 PRESSURE: 2227000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2227000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2227000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2227000 0 0 0 0 0 0 0 0 0 TIMING: 2227000 CPU: 8963.51, 0.00394566/step Wall: 8963.51, 0.00394566/step, 0.299213 hours remaining, 114.542969 MB of memory in use. ENERGY: 2227000 633.5303 1856.3973 1952.1694 96.8289 1.0146 -1114.1626 0.0000 0.0000 2698.6198 6124.3977 298.0701 3425.7779 6159.4030 295.6569 PRESSURE: 2227200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2227200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2227200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2227200 0 0 0 0 0 0 0 0 0 TIMING: 2227200 CPU: 8964.3, 0.00394714/step Wall: 8964.3, 0.00394714/step, 0.299105 hours remaining, 114.542969 MB of memory in use. ENERGY: 2227200 657.0820 1824.4907 1947.6792 112.8887 2.1206 -1079.8299 0.0000 0.0000 2705.4061 6169.8373 298.8196 3464.4313 6202.0447 295.2359 PRESSURE: 2227400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2227400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2227400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2227400 0 0 0 0 0 0 0 0 0 TIMING: 2227400 CPU: 8965.09, 0.00394866/step Wall: 8965.09, 0.00394866/step, 0.299001 hours remaining, 114.542969 MB of memory in use. ENERGY: 2227400 673.4713 1816.5670 1948.7915 101.8822 1.2448 -1068.8022 0.0000 0.0000 2647.2969 6120.4515 292.4013 3473.1547 6155.3008 294.7342 PRESSURE: 2227600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2227600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2227600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2227600 0 0 0 0 0 0 0 0 0 TIMING: 2227600 CPU: 8965.88, 0.00394724/step Wall: 8965.88, 0.00394724/step, 0.298675 hours remaining, 114.542969 MB of memory in use. ENERGY: 2227600 644.1814 1812.3626 1937.5070 121.3116 1.4625 -1060.9618 0.0000 0.0000 2691.7765 6147.6399 297.3142 3455.8634 6183.4399 295.3182 PRESSURE: 2227800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2227800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2227800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2227800 0 0 0 0 0 0 0 0 0 TIMING: 2227800 CPU: 8966.67, 0.0039458/step Wall: 8966.67, 0.0039458/step, 0.298346 hours remaining, 114.542969 MB of memory in use. ENERGY: 2227800 648.5237 1860.9786 1952.4597 111.5209 1.4894 -1087.0834 0.0000 0.0000 2664.5128 6152.4017 294.3029 3487.8889 6183.5044 296.0627 PRESSURE: 2228000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2228000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2228000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2228000 0 0 0 0 0 0 0 0 0 TIMING: 2228000 CPU: 8967.46, 0.00394531/step Wall: 8967.46, 0.00394531/step, 0.29809 hours remaining, 114.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2228000 658.1253 1844.9873 1949.6918 125.1391 1.8864 -1092.6332 0.0000 0.0000 2697.6086 6184.8052 297.9584 3487.1966 6215.6440 298.8237 PRESSURE: 2228200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2228200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2228200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2228200 0 0 0 0 0 0 0 0 0 TIMING: 2228200 CPU: 8968.25, 0.00394751/step Wall: 8968.25, 0.00394751/step, 0.298037 hours remaining, 114.542969 MB of memory in use. ENERGY: 2228200 639.0878 1841.2253 1944.6744 98.9486 0.5982 -1048.5647 0.0000 0.0000 2673.3134 6149.2830 295.2749 3475.9696 6182.9238 297.4499 LDB: ============= START OF LOAD BALANCING ============== 8971.21 LDB: ============== END OF LOAD BALANCING =============== 8971.21 LDB: =============== DONE WITH MIGRATION ================ 8971.21 LDB: ============= START OF LOAD BALANCING ============== 8971.6 LDB: ============== END OF LOAD BALANCING =============== 8971.6 LDB: =============== DONE WITH MIGRATION ================ 8971.6 PRESSURE: 2228400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2228400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2228400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2228400 0 0 0 0 0 0 0 0 0 TIMING: 2228400 CPU: 8969.04, 0.00394988/step Wall: 8969.04, 0.00394988/step, 0.297997 hours remaining, 114.546875 MB of memory in use. ENERGY: 2228400 612.0436 1851.7692 1931.6020 117.8231 0.7749 -1084.1750 0.0000 0.0000 2664.1902 6094.0280 294.2672 3429.8378 6129.4593 294.1825 PRESSURE: 2228600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2228600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2228600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2228600 0 0 0 0 0 0 0 0 0 TIMING: 2228600 CPU: 8969.83, 0.00394701/step Wall: 8969.83, 0.00394701/step, 0.297561 hours remaining, 114.546875 MB of memory in use. ENERGY: 2228600 654.0919 1849.0144 1941.1232 110.0992 1.7382 -1061.7670 0.0000 0.0000 2649.2621 6143.5621 292.6184 3494.3000 6171.6857 293.6666 PRESSURE: 2228800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2228800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2228800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2228800 0 0 0 0 0 0 0 0 0 TIMING: 2228800 CPU: 8970.62, 0.00394544/step Wall: 8970.62, 0.00394545/step, 0.297224 hours remaining, 114.546875 MB of memory in use. ENERGY: 2228800 671.2550 1835.0448 1970.6237 108.8983 2.1203 -1117.8884 0.0000 0.0000 2668.6052 6138.6589 294.7549 3470.0537 6172.4107 296.1633 PRESSURE: 2229000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2229000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2229000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2229000 0 0 0 0 0 0 0 0 0 TIMING: 2229000 CPU: 8971.4, 0.00394741/step Wall: 8971.4, 0.00394741/step, 0.297152 hours remaining, 114.546875 MB of memory in use. ENERGY: 2229000 708.2681 1854.3929 1943.9839 105.2021 -0.4673 -1112.9822 0.0000 0.0000 2652.7405 6151.1379 293.0026 3498.3974 6183.7304 295.6345 PRESSURE: 2229200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2229200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2229200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2229200 0 0 0 0 0 0 0 0 0 TIMING: 2229200 CPU: 8972.19, 0.00394522/step Wall: 8972.19, 0.00394522/step, 0.296768 hours remaining, 114.546875 MB of memory in use. ENERGY: 2229200 670.3194 1778.1227 1929.9016 111.8560 0.5659 -1080.8138 0.0000 0.0000 2693.7031 6103.6549 297.5270 3409.9518 6137.6819 295.4254 PRESSURE: 2229400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2229400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2229400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2229400 0 0 0 0 0 0 0 0 0 TIMING: 2229400 CPU: 8972.98, 0.00394494/step Wall: 8972.98, 0.00394494/step, 0.296528 hours remaining, 114.546875 MB of memory in use. ENERGY: 2229400 632.2936 1893.6304 1964.3730 96.0441 1.1941 -1093.2430 0.0000 0.0000 2659.3782 6153.6704 293.7357 3494.2922 6184.8581 293.7069 PRESSURE: 2229600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2229600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2229600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2229600 0 0 0 0 0 0 0 0 0 TIMING: 2229600 CPU: 8973.77, 0.00394443/step Wall: 8973.77, 0.00394443/step, 0.29627 hours remaining, 114.546875 MB of memory in use. ENERGY: 2229600 622.0676 1858.8200 1987.3270 100.6882 1.2705 -1110.3292 0.0000 0.0000 2697.9433 6157.7874 297.9953 3459.8441 6192.4291 298.0322 PRESSURE: 2229800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2229800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2229800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2229800 0 0 0 0 0 0 0 0 0 TIMING: 2229800 CPU: 8974.56, 0.00394436/step Wall: 8974.56, 0.00394436/step, 0.296046 hours remaining, 114.546875 MB of memory in use. ENERGY: 2229800 640.2496 1795.2060 1946.5703 99.7033 0.8746 -1045.7889 0.0000 0.0000 2735.2810 6172.0959 302.1194 3436.8148 6207.5846 298.3094 PRESSURE: 2230000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2230000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2230000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2230000 0 0 0 0 0 0 0 0 0 TIMING: 2230000 CPU: 8975.35, 0.00394504/step Wall: 8975.35, 0.00394504/step, 0.295878 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2230000 662.8565 1814.9792 1967.0260 110.2123 2.4188 -1076.3878 0.0000 0.0000 2708.3066 6189.4116 299.1400 3481.1049 6221.3928 299.8489 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2230000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2230000 WRITING COORDINATES TO RESTART FILE AT STEP 2230000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2230000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2230200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2230200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2230200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2230200 0 0 0 0 0 0 0 0 0 TIMING: 2230200 CPU: 8976.17, 0.00410258/step Wall: 8976.17, 0.00410258/step, 0.307466 hours remaining, 114.546875 MB of memory in use. ENERGY: 2230200 635.8563 1802.2269 1957.6085 99.4267 0.9016 -1062.4772 0.0000 0.0000 2712.0452 6145.5880 299.5530 3433.5428 6180.4962 298.5720 PRESSURE: 2230400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2230400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2230400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2230400 0 0 0 0 0 0 0 0 0 TIMING: 2230400 CPU: 8976.96, 0.00394222/step Wall: 8976.96, 0.00394222/step, 0.295229 hours remaining, 114.546875 MB of memory in use. ENERGY: 2230400 651.0248 1820.4154 1959.9710 91.7419 0.9793 -1103.2144 0.0000 0.0000 2731.9783 6152.8963 301.7546 3420.9180 6187.3999 296.8224 PRESSURE: 2230600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2230600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2230600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2230600 0 0 0 0 0 0 0 0 0 TIMING: 2230600 CPU: 8977.75, 0.0039438/step Wall: 8977.75, 0.0039438/step, 0.295128 hours remaining, 114.546875 MB of memory in use. ENERGY: 2230600 680.7205 1787.9702 1938.0807 96.2811 1.4370 -1124.9353 0.0000 0.0000 2726.7153 6106.2695 301.1733 3379.5542 6142.4055 296.4876 PRESSURE: 2230800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2230800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2230800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2230800 0 0 0 0 0 0 0 0 0 TIMING: 2230800 CPU: 8978.54, 0.00394292/step Wall: 8978.54, 0.00394292/step, 0.294842 hours remaining, 114.546875 MB of memory in use. ENERGY: 2230800 641.9911 1878.9313 1942.6385 101.6676 1.3867 -1086.7535 0.0000 0.0000 2660.6241 6140.4858 293.8733 3479.8617 6168.2922 297.4593 PRESSURE: 2231000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2231000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2231000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2231000 0 0 0 0 0 0 0 0 0 TIMING: 2231000 CPU: 8979.33, 0.00395754/step Wall: 8979.33, 0.00395754/step, 0.295716 hours remaining, 114.546875 MB of memory in use. ENERGY: 2231000 681.6979 1843.7711 1936.5450 105.4313 0.3072 -1112.7516 0.0000 0.0000 2682.7884 6137.7892 296.3214 3455.0008 6168.3165 297.2960 PRESSURE: 2231200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2231200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2231200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2231200 0 0 0 0 0 0 0 0 0 TIMING: 2231200 CPU: 8980.12, 0.00394659/step Wall: 8980.12, 0.00394659/step, 0.294678 hours remaining, 114.546875 MB of memory in use. ENERGY: 2231200 663.3242 1790.9085 1944.0968 101.2170 1.0459 -1079.8802 0.0000 0.0000 2684.6553 6105.3675 296.5277 3420.7122 6136.5969 295.5580 PRESSURE: 2231400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2231400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2231400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2231400 0 0 0 0 0 0 0 0 0 TIMING: 2231400 CPU: 8980.91, 0.00394643/step Wall: 8980.91, 0.00394643/step, 0.294447 hours remaining, 114.546875 MB of memory in use. ENERGY: 2231400 645.6454 1846.3516 1948.2391 97.9098 0.3616 -1103.4705 0.0000 0.0000 2671.3616 6106.3986 295.0593 3435.0370 6136.5089 295.4758 PRESSURE: 2231600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2231600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2231600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2231600 0 0 0 0 0 0 0 0 0 TIMING: 2231600 CPU: 8981.7, 0.00394661/step Wall: 8981.7, 0.00394661/step, 0.294242 hours remaining, 114.546875 MB of memory in use. ENERGY: 2231600 646.9316 1825.7210 1935.2790 104.4616 0.5946 -1105.3850 0.0000 0.0000 2707.5553 6115.1580 299.0570 3407.6027 6146.9877 294.2274 PRESSURE: 2231800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2231800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2231800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2231800 0 0 0 0 0 0 0 0 0 TIMING: 2231800 CPU: 8982.48, 0.00394374/step Wall: 8982.48, 0.00394374/step, 0.293809 hours remaining, 114.546875 MB of memory in use. ENERGY: 2231800 635.8572 1827.1595 1936.2606 103.7300 -0.1667 -1066.5186 0.0000 0.0000 2705.8392 6142.1612 298.8675 3436.3220 6175.3577 296.9973 PRESSURE: 2232000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2232000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2232000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2232000 0 0 0 0 0 0 0 0 0 TIMING: 2232000 CPU: 8983.27, 0.00394404/step Wall: 8983.27, 0.00394404/step, 0.293612 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2232000 662.5352 1876.4567 1934.3432 103.5506 0.7312 -1102.6192 0.0000 0.0000 2724.1547 6199.1525 300.8905 3474.9978 6234.8049 299.2833 PRESSURE: 2232200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2232200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2232200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2232200 0 0 0 0 0 0 0 0 0 TIMING: 2232200 CPU: 8984.06, 0.00394409/step Wall: 8984.06, 0.00394409/step, 0.293397 hours remaining, 114.546875 MB of memory in use. ENERGY: 2232200 663.6789 1866.3659 1948.8672 101.6573 0.1142 -1103.6472 0.0000 0.0000 2738.0372 6215.0734 302.4238 3477.0362 6246.9898 299.7863 LDB: ============= START OF LOAD BALANCING ============== 8987.02 LDB: ============== END OF LOAD BALANCING =============== 8987.02 LDB: =============== DONE WITH MIGRATION ================ 8987.02 LDB: ============= START OF LOAD BALANCING ============== 8987.42 LDB: ============== END OF LOAD BALANCING =============== 8987.42 LDB: =============== DONE WITH MIGRATION ================ 8987.42 PRESSURE: 2232400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2232400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2232400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2232400 0 0 0 0 0 0 0 0 0 TIMING: 2232400 CPU: 8984.85, 0.00394881/step Wall: 8984.85, 0.00394881/step, 0.293528 hours remaining, 114.546875 MB of memory in use. ENERGY: 2232400 620.2845 1835.6705 1964.2618 110.4160 0.9159 -1049.7089 0.0000 0.0000 2723.2600 6205.0996 300.7916 3481.8397 6238.4089 301.2975 PRESSURE: 2232600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2232600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2232600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2232600 0 0 0 0 0 0 0 0 0 TIMING: 2232600 CPU: 8985.64, 0.00394458/step Wall: 8985.64, 0.00394458/step, 0.292995 hours remaining, 114.546875 MB of memory in use. ENERGY: 2232600 684.4429 1889.3964 1959.8718 113.5558 1.7245 -1132.1686 0.0000 0.0000 2718.6373 6235.4601 300.2811 3516.8228 6266.7592 300.3595 PRESSURE: 2232800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2232800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2232800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2232800 0 0 0 0 0 0 0 0 0 TIMING: 2232800 CPU: 8986.43, 0.00396102/step Wall: 8986.43, 0.00396102/step, 0.293996 hours remaining, 114.546875 MB of memory in use. ENERGY: 2232800 662.3408 1892.1238 1944.4595 98.5363 2.2171 -1114.1431 0.0000 0.0000 2751.8839 6237.4183 303.9532 3485.5344 6268.9327 301.3664 PRESSURE: 2233000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2233000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2233000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2233000 0 0 0 0 0 0 0 0 0 TIMING: 2233000 CPU: 8987.22, 0.00395256/step Wall: 8987.22, 0.00395256/step, 0.293148 hours remaining, 114.546875 MB of memory in use. ENERGY: 2233000 658.6479 1820.5115 1944.2263 98.9036 0.8090 -1079.0036 0.0000 0.0000 2699.3541 6143.4489 298.1512 3444.0948 6176.1058 299.7800 PRESSURE: 2233200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2233200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2233200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2233200 0 0 0 0 0 0 0 0 0 TIMING: 2233200 CPU: 8988.01, 0.00394814/step Wall: 8988.01, 0.00394814/step, 0.292601 hours remaining, 114.546875 MB of memory in use. ENERGY: 2233200 656.3787 1864.3839 1968.9212 110.7324 0.8058 -1129.6570 0.0000 0.0000 2669.1762 6140.7414 294.8180 3471.5651 6174.3669 297.1003 PRESSURE: 2233400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2233400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2233400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2233400 0 0 0 0 0 0 0 0 0 TIMING: 2233400 CPU: 8988.8, 0.00394753/step Wall: 8988.8, 0.00394753/step, 0.292337 hours remaining, 114.546875 MB of memory in use. ENERGY: 2233400 642.8317 1873.5863 1962.3707 104.0956 1.2365 -1066.1595 0.0000 0.0000 2640.1537 6158.1149 291.6123 3517.9612 6186.9688 297.4459 PRESSURE: 2233600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2233600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2233600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2233600 0 0 0 0 0 0 0 0 0 TIMING: 2233600 CPU: 8989.59, 0.00394482/step Wall: 8989.59, 0.00394482/step, 0.291917 hours remaining, 114.546875 MB of memory in use. ENERGY: 2233600 655.3890 1823.8701 1939.7084 101.6835 1.1674 -1127.7803 0.0000 0.0000 2722.5996 6116.6377 300.7187 3394.0380 6150.1133 296.1900 PRESSURE: 2233800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2233800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2233800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2233800 0 0 0 0 0 0 0 0 0 TIMING: 2233800 CPU: 8990.38, 0.00394603/step Wall: 8990.38, 0.00394603/step, 0.291787 hours remaining, 114.546875 MB of memory in use. ENERGY: 2233800 631.7556 1819.2341 1952.0499 113.4343 1.8243 -1101.8366 0.0000 0.0000 2736.8577 6153.3194 302.2936 3416.4617 6188.7414 295.8780 PRESSURE: 2234000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2234000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2234000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2234000 0 0 0 0 0 0 0 0 0 TIMING: 2234000 CPU: 8991.17, 0.00394665/step Wall: 8991.17, 0.00394665/step, 0.291614 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2234000 670.3860 1846.9653 1971.8265 113.9895 0.6859 -1111.0371 0.0000 0.0000 2704.2051 6197.0211 298.6870 3492.8160 6229.0403 298.9763 PRESSURE: 2234200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2234200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2234200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2234200 0 0 0 0 0 0 0 0 0 TIMING: 2234200 CPU: 8991.96, 0.00394592/step Wall: 8991.96, 0.00394592/step, 0.29134 hours remaining, 114.546875 MB of memory in use. ENERGY: 2234200 664.8085 1827.9487 1966.3455 103.5276 0.9645 -1137.3191 0.0000 0.0000 2752.4926 6178.7684 304.0205 3426.2757 6215.6708 298.1706 PRESSURE: 2234400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2234400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2234400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2234400 0 0 0 0 0 0 0 0 0 TIMING: 2234400 CPU: 8992.75, 0.00394689/step Wall: 8992.75, 0.00394689/step, 0.291193 hours remaining, 114.546875 MB of memory in use. ENERGY: 2234400 633.3534 1823.4088 1971.3839 109.8458 0.7721 -1067.6500 0.0000 0.0000 2680.7229 6151.8369 296.0933 3471.1140 6188.3686 299.2307 PRESSURE: 2234600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2234600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2234600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2234600 0 0 0 0 0 0 0 0 0 TIMING: 2234600 CPU: 8993.54, 0.00394387/step Wall: 8993.54, 0.00394387/step, 0.290751 hours remaining, 114.546875 MB of memory in use. ENERGY: 2234600 679.9520 1811.0141 1947.9692 119.6053 -0.0896 -1071.1432 0.0000 0.0000 2681.1562 6168.4640 296.1412 3487.3078 6197.3109 297.6812 PRESSURE: 2234800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2234800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2234800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2234800 0 0 0 0 0 0 0 0 0 TIMING: 2234800 CPU: 8994.33, 0.00394547/step Wall: 8994.33, 0.00394547/step, 0.29065 hours remaining, 114.546875 MB of memory in use. ENERGY: 2234800 665.6998 1819.8384 1909.7834 112.7929 -0.0389 -1083.9244 0.0000 0.0000 2695.8080 6119.9592 297.7595 3424.1512 6150.6010 295.8130 PRESSURE: 2235000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2235000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2235000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2235000 0 0 0 0 0 0 0 0 0 TIMING: 2235000 CPU: 8995.12, 0.00394583/step Wall: 8995.12, 0.00394583/step, 0.290457 hours remaining, 114.546875 MB of memory in use. ENERGY: 2235000 644.1888 1855.7768 1953.3360 111.2902 0.8462 -1079.4230 0.0000 0.0000 2663.3056 6149.3207 294.1695 3486.0151 6180.5095 295.3647 PRESSURE: 2235200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2235200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2235200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2235200 0 0 0 0 0 0 0 0 0 TIMING: 2235200 CPU: 8995.9, 0.00394501/step Wall: 8995.9, 0.00394501/step, 0.290177 hours remaining, 114.546875 MB of memory in use. ENERGY: 2235200 670.6064 1860.2784 1949.1039 103.8817 1.9448 -1097.8010 0.0000 0.0000 2691.4592 6179.4734 297.2792 3488.0142 6212.9053 295.5001 PRESSURE: 2235400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2235400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2235400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2235400 0 0 0 0 0 0 0 0 0 TIMING: 2235400 CPU: 8996.69, 0.0039447/step Wall: 8996.69, 0.0039447/step, 0.289936 hours remaining, 114.546875 MB of memory in use. ENERGY: 2235400 664.6128 1819.7620 1965.2461 110.5724 2.0290 -1061.0566 0.0000 0.0000 2670.1001 6171.2658 294.9200 3501.1657 6204.2474 297.5089 PRESSURE: 2235600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2235600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2235600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2235600 0 0 0 0 0 0 0 0 0 TIMING: 2235600 CPU: 8997.48, 0.00394271/step Wall: 8997.48, 0.00394271/step, 0.289571 hours remaining, 114.546875 MB of memory in use. ENERGY: 2235600 660.2671 1790.7447 1965.5055 111.3070 2.3412 -1086.1576 0.0000 0.0000 2715.6501 6159.6581 299.9511 3444.0080 6194.9724 297.6096 PRESSURE: 2235800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2235800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2235800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2235800 0 0 0 0 0 0 0 0 0 TIMING: 2235800 CPU: 8998.27, 0.003945/step Wall: 8998.27, 0.003945/step, 0.289519 hours remaining, 114.546875 MB of memory in use. ENERGY: 2235800 690.6161 1857.7573 1966.4940 108.8333 0.5281 -1083.3437 0.0000 0.0000 2638.8385 6179.7235 291.4671 3540.8850 6210.7500 297.2880 PRESSURE: 2236000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2236000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2236000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2236000 0 0 0 0 0 0 0 0 0 TIMING: 2236000 CPU: 8999.06, 0.00394715/step Wall: 8999.06, 0.00394715/step, 0.289458 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2236000 657.4186 1894.8617 1929.6647 115.0091 0.4611 -1110.7947 0.0000 0.0000 2649.9951 6136.6156 292.6993 3486.6205 6168.6193 297.7112 PRESSURE: 2236200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2236200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2236200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2236200 0 0 0 0 0 0 0 0 0 TIMING: 2236200 CPU: 8999.85, 0.00394513/step Wall: 8999.85, 0.00394513/step, 0.28909 hours remaining, 114.546875 MB of memory in use. ENERGY: 2236200 632.3409 1870.0159 1946.5859 109.8361 -0.3552 -1101.3187 0.0000 0.0000 2671.2623 6128.3672 295.0484 3457.1049 6161.0891 296.5177 LDB: ============= START OF LOAD BALANCING ============== 9002.81 LDB: ============== END OF LOAD BALANCING =============== 9002.81 LDB: =============== DONE WITH MIGRATION ================ 9002.81 LDB: ============= START OF LOAD BALANCING ============== 9003.2 LDB: ============== END OF LOAD BALANCING =============== 9003.2 LDB: =============== DONE WITH MIGRATION ================ 9003.2 PRESSURE: 2236400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2236400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2236400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2236400 0 0 0 0 0 0 0 0 0 TIMING: 2236400 CPU: 9000.64, 0.00394647/step Wall: 9000.64, 0.00394647/step, 0.28897 hours remaining, 114.546875 MB of memory in use. ENERGY: 2236400 675.7774 1817.1890 1955.9101 104.3810 -0.3570 -1080.8202 0.0000 0.0000 2698.1056 6170.1859 298.0133 3472.0804 6203.2919 297.6724 PRESSURE: 2236600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2236600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2236600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2236600 0 0 0 0 0 0 0 0 0 TIMING: 2236600 CPU: 9001.43, 0.00394516/step Wall: 9001.43, 0.00394516/step, 0.288654 hours remaining, 114.546875 MB of memory in use. ENERGY: 2236600 668.4196 1862.1619 1939.2457 113.9972 1.8210 -1078.0093 0.0000 0.0000 2653.5474 6161.1835 293.0917 3507.6361 6194.1156 297.9307 PRESSURE: 2236800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2236800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2236800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2236800 0 0 0 0 0 0 0 0 0 TIMING: 2236800 CPU: 9002.22, 0.0039462/step Wall: 9002.22, 0.0039462/step, 0.288511 hours remaining, 114.546875 MB of memory in use. ENERGY: 2236800 622.2181 1811.9176 1940.4217 105.8312 2.5326 -1067.4401 0.0000 0.0000 2727.4338 6142.9150 301.2527 3415.4812 6175.5283 296.7848 PRESSURE: 2237000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2237000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2237000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2237000 0 0 0 0 0 0 0 0 0 TIMING: 2237000 CPU: 9003.01, 0.0039457/step Wall: 9003.01, 0.0039457/step, 0.288255 hours remaining, 114.546875 MB of memory in use. ENERGY: 2237000 667.9330 1861.7679 1944.0210 109.7466 0.6671 -1070.7781 0.0000 0.0000 2693.5056 6206.8632 297.5052 3513.3576 6238.1131 298.7535 PRESSURE: 2237200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2237200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2237200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2237200 0 0 0 0 0 0 0 0 0 TIMING: 2237200 CPU: 9003.79, 0.00394377/step Wall: 9003.79, 0.00394377/step, 0.287896 hours remaining, 114.546875 MB of memory in use. ENERGY: 2237200 684.9356 1869.9001 1952.0026 98.3281 0.7500 -1124.5352 0.0000 0.0000 2759.7758 6241.1570 304.8249 3481.3812 6277.3243 302.1288 PRESSURE: 2237400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2237400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2237400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2237400 0 0 0 0 0 0 0 0 0 TIMING: 2237400 CPU: 9004.58, 0.00394265/step Wall: 9004.58, 0.00394265/step, 0.287594 hours remaining, 114.546875 MB of memory in use. ENERGY: 2237400 646.2967 1877.5178 1930.3048 104.7611 1.3464 -1069.8096 0.0000 0.0000 2792.1257 6282.5429 308.3981 3490.4172 6317.3750 304.4621 PRESSURE: 2237600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2237600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2237600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2237600 0 0 0 0 0 0 0 0 0 TIMING: 2237600 CPU: 9005.37, 0.00394863/step Wall: 9005.37, 0.00394863/step, 0.287811 hours remaining, 114.546875 MB of memory in use. ENERGY: 2237600 689.8227 1886.7442 1924.1190 105.1868 1.8317 -1108.4704 0.0000 0.0000 2692.8565 6192.0906 297.4335 3499.2340 6224.9567 302.7733 PRESSURE: 2237800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2237800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2237800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2237800 0 0 0 0 0 0 0 0 0 TIMING: 2237800 CPU: 9006.16, 0.00394673/step Wall: 9006.16, 0.00394673/step, 0.287454 hours remaining, 114.546875 MB of memory in use. ENERGY: 2237800 683.2301 1872.6572 1954.5033 106.8265 0.8391 -1089.0973 0.0000 0.0000 2650.6932 6179.6520 292.7765 3528.9588 6212.0565 298.3653 PRESSURE: 2238000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2238000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2238000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2238000 0 0 0 0 0 0 0 0 0 TIMING: 2238000 CPU: 9006.95, 0.00394424/step Wall: 9006.95, 0.00394424/step, 0.287053 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2238000 660.3209 1841.3191 1948.1190 109.5674 1.9315 -1072.3331 0.0000 0.0000 2640.0340 6128.9588 291.5991 3488.9248 6163.4668 296.4035 PRESSURE: 2238200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2238200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2238200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2238200 0 0 0 0 0 0 0 0 0 TIMING: 2238200 CPU: 9007.74, 0.00394651/step Wall: 9007.74, 0.00394651/step, 0.286999 hours remaining, 114.546875 MB of memory in use. ENERGY: 2238200 625.9061 1784.5969 1948.0069 104.3819 0.9604 -1066.2496 0.0000 0.0000 2701.1870 6098.7896 298.3536 3397.6026 6131.9944 293.6635 PRESSURE: 2238400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2238400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2238400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2238400 0 0 0 0 0 0 0 0 0 TIMING: 2238400 CPU: 9008.53, 0.00394336/step Wall: 9008.53, 0.00394336/step, 0.286551 hours remaining, 114.546875 MB of memory in use. ENERGY: 2238400 653.9583 1807.2479 1940.2559 104.8532 1.7850 -1084.3643 0.0000 0.0000 2657.0331 6080.7690 293.4767 3423.7359 6115.7822 292.3848 PRESSURE: 2238600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2238600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2238600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2238600 0 0 0 0 0 0 0 0 0 TIMING: 2238600 CPU: 9009.32, 0.00394695/step Wall: 9009.32, 0.00394695/step, 0.286592 hours remaining, 114.546875 MB of memory in use. ENERGY: 2238600 672.0631 1820.4323 1912.0362 116.8657 2.0841 -1090.5898 0.0000 0.0000 2685.1469 6118.0385 296.5820 3432.8916 6148.6886 294.2615 PRESSURE: 2238800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2238800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2238800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2238800 0 0 0 0 0 0 0 0 0 TIMING: 2238800 CPU: 9010.11, 0.00394753/step Wall: 9010.11, 0.00394753/step, 0.286415 hours remaining, 114.546875 MB of memory in use. ENERGY: 2238800 625.9679 1846.8655 1948.7879 93.5541 2.3114 -1092.2332 0.0000 0.0000 2708.9005 6134.1540 299.2056 3425.2536 6168.0335 296.8241 PRESSURE: 2239000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2239000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2239000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2239000 0 0 0 0 0 0 0 0 0 TIMING: 2239000 CPU: 9010.9, 0.00394398/step Wall: 9010.9, 0.00394398/step, 0.285939 hours remaining, 114.546875 MB of memory in use. ENERGY: 2239000 653.3407 1807.7646 1910.7904 104.2725 2.5388 -1045.9998 0.0000 0.0000 2739.3448 6172.0521 302.5683 3432.7072 6205.6094 297.4717 PRESSURE: 2239200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2239200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2239200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2239200 0 0 0 0 0 0 0 0 0 TIMING: 2239200 CPU: 9011.69, 0.00394488/step Wall: 9011.69, 0.00394488/step, 0.285785 hours remaining, 114.546875 MB of memory in use. ENERGY: 2239200 652.2102 1839.9926 1952.9506 104.1624 1.3053 -1073.6721 0.0000 0.0000 2673.4979 6150.4470 295.2953 3476.9491 6185.3846 297.5949 PRESSURE: 2239400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2239400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2239400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2239400 0 0 0 0 0 0 0 0 0 TIMING: 2239400 CPU: 9012.47, 0.00394124/step Wall: 9012.47, 0.00394124/step, 0.285302 hours remaining, 114.546875 MB of memory in use. ENERGY: 2239400 664.2583 1849.5032 1971.3514 99.4901 1.6770 -1092.6212 0.0000 0.0000 2667.0937 6160.7524 294.5879 3493.6587 6195.9827 296.7105 PRESSURE: 2239600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2239600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2239600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2239600 0 0 0 0 0 0 0 0 0 TIMING: 2239600 CPU: 9013.26, 0.00394473/step Wall: 9013.26, 0.00394473/step, 0.285335 hours remaining, 114.546875 MB of memory in use. ENERGY: 2239600 632.7719 1837.5837 1949.3570 117.7642 1.2178 -1035.9234 0.0000 0.0000 2735.3279 6238.0990 302.1246 3502.7711 6274.0287 299.1868 PRESSURE: 2239800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2239800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2239800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2239800 0 0 0 0 0 0 0 0 0 TIMING: 2239800 CPU: 9014.05, 0.0039449/step Wall: 9014.05, 0.0039449/step, 0.285128 hours remaining, 114.546875 MB of memory in use. ENERGY: 2239800 677.7291 1904.9674 1966.6076 110.1353 1.6172 -1072.9134 0.0000 0.0000 2687.2777 6275.4207 296.8173 3588.1431 6306.3202 302.2920 PRESSURE: 2240000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2240000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2240000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2240000 0 0 0 0 0 0 0 0 0 TIMING: 2240000 CPU: 9014.84, 0.0039451/step Wall: 9014.84, 0.0039451/step, 0.284924 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2240000 674.6666 1857.0278 1949.0279 112.7170 1.8831 -1098.6681 0.0000 0.0000 2774.7050 6271.3592 306.4739 3496.6543 6306.5144 303.4989 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2240000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2240000 WRITING COORDINATES TO RESTART FILE AT STEP 2240000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2240000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2240200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2240200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2240200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2240200 0 0 0 0 0 0 0 0 0 TIMING: 2240200 CPU: 9015.66, 0.00410267/step Wall: 9015.66, 0.00410267/step, 0.296076 hours remaining, 114.546875 MB of memory in use. ENERGY: 2240200 654.4437 1889.7521 1966.8582 111.6049 0.4966 -1089.0129 0.0000 0.0000 2733.3732 6267.5158 301.9087 3534.1426 6301.0249 302.8295 LDB: ============= START OF LOAD BALANCING ============== 9018.62 LDB: ============== END OF LOAD BALANCING =============== 9018.62 LDB: =============== DONE WITH MIGRATION ================ 9018.62 LDB: ============= START OF LOAD BALANCING ============== 9019.02 LDB: ============== END OF LOAD BALANCING =============== 9019.02 LDB: =============== DONE WITH MIGRATION ================ 9019.02 PRESSURE: 2240400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2240400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2240400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2240400 0 0 0 0 0 0 0 0 0 TIMING: 2240400 CPU: 9016.45, 0.00394882/step Wall: 9016.45, 0.00394882/step, 0.284754 hours remaining, 114.546875 MB of memory in use. ENERGY: 2240400 678.0188 1843.5369 1963.7240 104.5673 1.4925 -1084.3777 0.0000 0.0000 2682.8525 6189.8143 296.3285 3506.9617 6222.0126 302.2687 PRESSURE: 2240600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2240600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2240600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2240600 0 0 0 0 0 0 0 0 0 TIMING: 2240600 CPU: 9017.24, 0.00394571/step Wall: 9017.24, 0.00394571/step, 0.28431 hours remaining, 114.546875 MB of memory in use. ENERGY: 2240600 662.5051 1829.6401 1930.7777 113.2428 1.6022 -1057.0218 0.0000 0.0000 2697.3307 6178.0768 297.9277 3480.7461 6211.9039 298.4050 PRESSURE: 2240800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2240800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2240800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2240800 0 0 0 0 0 0 0 0 0 TIMING: 2240800 CPU: 9018.03, 0.00394586/step Wall: 9018.03, 0.00394586/step, 0.284102 hours remaining, 114.546875 MB of memory in use. ENERGY: 2240800 634.7121 1855.9893 1976.3394 107.9841 0.5483 -1100.9231 0.0000 0.0000 2672.9777 6147.6279 295.2378 3474.6502 6178.5930 296.6399 PRESSURE: 2241000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2241000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2241000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2241000 0 0 0 0 0 0 0 0 0 TIMING: 2241000 CPU: 9018.82, 0.00396533/step Wall: 9018.82, 0.00396533/step, 0.285284 hours remaining, 114.546875 MB of memory in use. ENERGY: 2241000 630.9255 1842.2108 1956.5315 98.7940 -0.3322 -1080.4642 0.0000 0.0000 2735.6505 6183.3159 302.1602 3447.6654 6214.1807 297.9426 PRESSURE: 2241200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2241200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2241200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2241200 0 0 0 0 0 0 0 0 0 TIMING: 2241200 CPU: 9019.61, 0.00394518/step Wall: 9019.61, 0.00394518/step, 0.283615 hours remaining, 114.546875 MB of memory in use. ENERGY: 2241200 654.7608 1859.6338 1965.2796 89.7232 1.7906 -1075.7725 0.0000 0.0000 2666.4810 6161.8965 294.5203 3495.4155 6191.8928 298.6122 PRESSURE: 2241400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2241400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2241400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2241400 0 0 0 0 0 0 0 0 0 TIMING: 2241400 CPU: 9020.4, 0.00394781/step Wall: 9020.4, 0.00394781/step, 0.283584 hours remaining, 114.546875 MB of memory in use. ENERGY: 2241400 653.1151 1871.0403 1949.3608 112.5587 1.2049 -1063.2688 0.0000 0.0000 2677.2572 6201.2682 295.7105 3524.0109 6233.9426 297.7992 PRESSURE: 2241600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2241600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2241600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2241600 0 0 0 0 0 0 0 0 0 TIMING: 2241600 CPU: 9021.19, 0.00394767/step Wall: 9021.19, 0.00394767/step, 0.283355 hours remaining, 114.546875 MB of memory in use. ENERGY: 2241600 691.3510 1837.0917 1950.9426 110.1886 0.7084 -1120.7410 0.0000 0.0000 2725.4188 6194.9600 301.0301 3469.5412 6225.5911 298.9675 PRESSURE: 2241800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2241800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2241800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2241800 0 0 0 0 0 0 0 0 0 TIMING: 2241800 CPU: 9021.98, 0.00394583/step Wall: 9021.98, 0.00394583/step, 0.283004 hours remaining, 114.546875 MB of memory in use. ENERGY: 2241800 666.6797 1824.6050 1983.5459 109.3966 1.0446 -1063.3139 0.0000 0.0000 2705.2318 6227.1898 298.8004 3521.9580 6261.1234 299.3474 PRESSURE: 2242000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2242000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2242000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2242000 0 0 0 0 0 0 0 0 0 TIMING: 2242000 CPU: 9022.77, 0.00394651/step Wall: 9022.77, 0.00394651/step, 0.282833 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2242000 690.9482 1771.7856 1933.3003 112.6093 0.4446 -1086.0077 0.0000 0.0000 2756.0392 6179.1196 304.4122 3423.0804 6213.6886 297.7285 PRESSURE: 2242200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2242200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2242200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2242200 0 0 0 0 0 0 0 0 0 TIMING: 2242200 CPU: 9023.56, 0.0039445/step Wall: 9023.56, 0.0039445/step, 0.28247 hours remaining, 114.546875 MB of memory in use. ENERGY: 2242200 627.1664 1823.8137 1965.7724 105.7762 1.1450 -1035.8628 0.0000 0.0000 2709.5693 6197.3802 299.2795 3487.8108 6229.2928 299.1066 PRESSURE: 2242400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2242400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2242400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2242400 0 0 0 0 0 0 0 0 0 TIMING: 2242400 CPU: 9024.35, 0.00394695/step Wall: 9024.35, 0.00394695/step, 0.282426 hours remaining, 114.546875 MB of memory in use. ENERGY: 2242400 682.5442 1862.6751 1938.0937 103.6084 -0.6911 -1069.2988 0.0000 0.0000 2645.8170 6162.7486 292.2379 3516.9316 6195.5374 297.2850 PRESSURE: 2242600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2242600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2242600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2242600 0 0 0 0 0 0 0 0 0 TIMING: 2242600 CPU: 9025.14, 0.00394706/step Wall: 9025.14, 0.00394706/step, 0.282215 hours remaining, 114.546875 MB of memory in use. ENERGY: 2242600 659.4249 1931.1582 1926.4739 114.0090 -0.3697 -1069.0167 0.0000 0.0000 2684.2370 6245.9166 296.4815 3561.6796 6279.3818 298.3951 PRESSURE: 2242800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2242800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2242800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2242800 0 0 0 0 0 0 0 0 0 TIMING: 2242800 CPU: 9025.93, 0.00394637/step Wall: 9025.93, 0.00394637/step, 0.281946 hours remaining, 114.546875 MB of memory in use. ENERGY: 2242800 648.2849 1873.6345 1955.9570 109.7890 0.0274 -1084.7847 0.0000 0.0000 2680.2410 6183.1490 296.0401 3502.9080 6216.6046 300.0422 PRESSURE: 2243000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2243000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2243000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2243000 0 0 0 0 0 0 0 0 0 TIMING: 2243000 CPU: 9026.71, 0.00394496/step Wall: 9026.71, 0.00394496/step, 0.281627 hours remaining, 114.546875 MB of memory in use. ENERGY: 2243000 655.5102 1850.3426 1974.4188 132.3752 0.5529 -1088.2934 0.0000 0.0000 2669.0403 6193.9467 294.8029 3524.9065 6226.4074 299.0078 PRESSURE: 2243200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2243200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2243200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2243200 0 0 0 0 0 0 0 0 0 TIMING: 2243200 CPU: 9027.5, 0.00394683/step Wall: 9027.5, 0.00394683/step, 0.28154 hours remaining, 114.546875 MB of memory in use. ENERGY: 2243200 668.4548 1825.1696 1963.6015 94.9439 1.1590 -1103.0865 0.0000 0.0000 2755.8888 6206.1310 304.3956 3450.2423 6240.6071 298.7813 PRESSURE: 2243400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2243400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2243400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2243400 0 0 0 0 0 0 0 0 0 TIMING: 2243400 CPU: 9028.29, 0.00394685/step Wall: 9028.29, 0.00394685/step, 0.281323 hours remaining, 114.546875 MB of memory in use. ENERGY: 2243400 636.7625 1900.1016 1937.5211 113.9311 -0.3602 -1068.8523 0.0000 0.0000 2725.1564 6244.2602 301.0011 3519.1038 6274.4120 300.7445 PRESSURE: 2243600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2243600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2243600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2243600 0 0 0 0 0 0 0 0 0 TIMING: 2243600 CPU: 9029.08, 0.00394673/step Wall: 9029.08, 0.00394673/step, 0.281095 hours remaining, 114.546875 MB of memory in use. ENERGY: 2243600 627.6204 1895.8879 1984.7973 110.6283 -0.3850 -1079.8485 0.0000 0.0000 2714.0515 6252.7518 299.7745 3538.7003 6285.5835 301.0804 PRESSURE: 2243800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2243800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2243800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2243800 0 0 0 0 0 0 0 0 0 TIMING: 2243800 CPU: 9029.87, 0.00394592/step Wall: 9029.87, 0.00394592/step, 0.280818 hours remaining, 114.546875 MB of memory in use. ENERGY: 2243800 628.5412 1870.5544 1972.0613 101.5773 0.2823 -1114.0770 0.0000 0.0000 2829.1143 6288.0538 312.4836 3458.9395 6327.3982 303.3557 PRESSURE: 2244000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2244000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2244000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2244000 0 0 0 0 0 0 0 0 0 TIMING: 2244000 CPU: 9030.66, 0.00394336/step Wall: 9030.66, 0.00394336/step, 0.280417 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2244000 693.1699 1867.6975 2000.1372 109.9898 0.1226 -1148.6370 0.0000 0.0000 2739.9872 6262.4671 302.6392 3522.4799 6295.7579 304.8671 PRESSURE: 2244200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2244200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2244200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2244200 0 0 0 0 0 0 0 0 0 TIMING: 2244200 CPU: 9031.45, 0.00394619/step Wall: 9031.45, 0.00394619/step, 0.280399 hours remaining, 114.546875 MB of memory in use. ENERGY: 2244200 660.8717 1852.9282 1976.2952 106.5409 1.4132 -1071.9192 0.0000 0.0000 2671.0258 6197.1558 295.0222 3526.1300 6229.6385 299.8243 LDB: ============= START OF LOAD BALANCING ============== 9034.41 LDB: ============== END OF LOAD BALANCING =============== 9034.41 LDB: =============== DONE WITH MIGRATION ================ 9034.41 LDB: ============= START OF LOAD BALANCING ============== 9034.8 LDB: ============== END OF LOAD BALANCING =============== 9034.8 LDB: =============== DONE WITH MIGRATION ================ 9034.8 PRESSURE: 2244400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2244400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2244400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2244400 0 0 0 0 0 0 0 0 0 TIMING: 2244400 CPU: 9032.24, 0.00395095/step Wall: 9032.24, 0.00395095/step, 0.280517 hours remaining, 114.546875 MB of memory in use. ENERGY: 2244400 652.9535 1852.2785 1951.4762 105.3175 1.4674 -1090.5321 0.0000 0.0000 2686.8694 6159.8304 296.7722 3472.9610 6193.7818 297.7674 PRESSURE: 2244600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2244600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2244600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2244600 0 0 0 0 0 0 0 0 0 TIMING: 2244600 CPU: 9033.03, 0.00394541/step Wall: 9033.03, 0.00394541/step, 0.279905 hours remaining, 114.546875 MB of memory in use. ENERGY: 2244600 671.1465 1835.1656 1934.5240 110.2109 1.0475 -1066.3212 0.0000 0.0000 2690.2247 6175.9979 297.1428 3485.7733 6208.1910 296.1297 PRESSURE: 2244800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2244800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2244800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2244800 0 0 0 0 0 0 0 0 0 TIMING: 2244800 CPU: 9033.82, 0.00394574/step Wall: 9033.82, 0.00394574/step, 0.279709 hours remaining, 114.546875 MB of memory in use. ENERGY: 2244800 653.3528 1826.1377 1968.0082 109.0820 0.4617 -1063.0502 0.0000 0.0000 2724.9603 6218.9525 300.9795 3493.9922 6250.5843 299.3664 PRESSURE: 2245000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2245000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2245000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2245000 0 0 0 0 0 0 0 0 0 TIMING: 2245000 CPU: 9034.61, 0.00394479/step Wall: 9034.61, 0.00394479/step, 0.279423 hours remaining, 114.546875 MB of memory in use. ENERGY: 2245000 649.4797 1830.2353 1963.8893 114.5474 -0.4898 -1081.6078 0.0000 0.0000 2692.4666 6168.5206 297.3904 3476.0540 6201.3845 299.7115 PRESSURE: 2245200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2245200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2245200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2245200 0 0 0 0 0 0 0 0 0 TIMING: 2245200 CPU: 9035.4, 0.00394912/step Wall: 9035.4, 0.00394912/step, 0.27951 hours remaining, 114.546875 MB of memory in use. ENERGY: 2245200 650.9286 1846.1324 1946.3232 105.9286 -0.5295 -1104.6370 0.0000 0.0000 2698.6695 6142.8158 298.0756 3444.1462 6174.4528 296.8756 PRESSURE: 2245400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2245400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2245400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2245400 0 0 0 0 0 0 0 0 0 TIMING: 2245400 CPU: 9036.19, 0.00394829/step Wall: 9036.19, 0.00394829/step, 0.279232 hours remaining, 114.546875 MB of memory in use. ENERGY: 2245400 678.7982 1832.7007 1977.5581 107.8955 0.2356 -1101.5376 0.0000 0.0000 2691.0527 6186.7033 297.2343 3495.6506 6217.9549 296.2500 PRESSURE: 2245600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2245600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2245600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2245600 0 0 0 0 0 0 0 0 0 TIMING: 2245600 CPU: 9036.98, 0.00394704/step Wall: 9036.98, 0.00394704/step, 0.278924 hours remaining, 114.546875 MB of memory in use. ENERGY: 2245600 662.3208 1859.9696 1967.7221 116.0933 0.7688 -1089.1974 0.0000 0.0000 2665.0882 6182.7653 294.3664 3517.6771 6213.4293 296.9343 PRESSURE: 2245800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2245800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2245800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2245800 0 0 0 0 0 0 0 0 0 TIMING: 2245800 CPU: 9037.77, 0.0039465/step Wall: 9037.77, 0.0039465/step, 0.278667 hours remaining, 114.546875 MB of memory in use. ENERGY: 2245800 664.9224 1828.4907 1963.4741 118.0941 1.2765 -1083.5952 0.0000 0.0000 2673.3306 6165.9932 295.2768 3492.6626 6196.1040 298.3044 PRESSURE: 2246000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2246000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2246000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2246000 0 0 0 0 0 0 0 0 0 TIMING: 2246000 CPU: 9038.55, 0.0039446/step Wall: 9038.55, 0.0039446/step, 0.278314 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2246000 646.1499 1872.8190 1910.9723 105.9161 -0.3741 -1080.9256 0.0000 0.0000 2684.5640 6139.1216 296.5176 3454.5576 6174.5162 298.0822 PRESSURE: 2246200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2246200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2246200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2246200 0 0 0 0 0 0 0 0 0 TIMING: 2246200 CPU: 9039.34, 0.00394663/step Wall: 9039.34, 0.00394663/step, 0.278237 hours remaining, 114.546875 MB of memory in use. ENERGY: 2246200 598.1352 1840.4797 1942.3911 116.7155 -1.0868 -1047.8521 0.0000 0.0000 2671.6237 6120.4064 295.0883 3448.7827 6154.4817 294.2887 PRESSURE: 2246400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2246400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2246400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2246400 0 0 0 0 0 0 0 0 0 TIMING: 2246400 CPU: 9040.13, 0.00394639/step Wall: 9040.13, 0.00394639/step, 0.278001 hours remaining, 114.546875 MB of memory in use. ENERGY: 2246400 615.5308 1826.3836 1947.2692 113.1614 0.1292 -1090.8844 0.0000 0.0000 2727.1901 6138.7798 301.2257 3411.5897 6173.7717 295.9010 PRESSURE: 2246600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2246600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2246600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2246600 0 0 0 0 0 0 0 0 0 TIMING: 2246600 CPU: 9040.92, 0.0039467/step Wall: 9040.92, 0.0039467/step, 0.277804 hours remaining, 114.546875 MB of memory in use. ENERGY: 2246600 631.4411 1850.7819 1933.6761 102.1726 0.9859 -1112.5638 0.0000 0.0000 2719.4907 6125.9844 300.3753 3406.4937 6158.7216 294.9547 PRESSURE: 2246800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2246800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2246800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2246800 0 0 0 0 0 0 0 0 0 TIMING: 2246800 CPU: 9041.71, 0.00394387/step Wall: 9041.71, 0.00394387/step, 0.277386 hours remaining, 114.546875 MB of memory in use. ENERGY: 2246800 646.7175 1827.5654 1910.4691 109.5447 -0.6327 -1035.4811 0.0000 0.0000 2713.2775 6171.4604 299.6891 3458.1829 6208.9429 297.8846 PRESSURE: 2247000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2247000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2247000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2247000 0 0 0 0 0 0 0 0 0 TIMING: 2247000 CPU: 9042.5, 0.00394729/step Wall: 9042.5, 0.00394729/step, 0.277407 hours remaining, 114.546875 MB of memory in use. ENERGY: 2247000 676.4558 1861.4976 1959.9699 100.2620 1.7817 -1092.5891 0.0000 0.0000 2714.2189 6221.5967 299.7930 3507.3778 6254.9452 298.1036 PRESSURE: 2247200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2247200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2247200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2247200 0 0 0 0 0 0 0 0 0 TIMING: 2247200 CPU: 9043.29, 0.00394706/step Wall: 9043.29, 0.00394706/step, 0.277171 hours remaining, 114.546875 MB of memory in use. ENERGY: 2247200 644.9661 1823.7304 1970.5951 113.0519 0.6350 -1078.6959 0.0000 0.0000 2753.7157 6227.9983 304.1556 3474.2826 6261.0067 301.0546 PRESSURE: 2247400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2247400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2247400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2247400 0 0 0 0 0 0 0 0 0 TIMING: 2247400 CPU: 9044.08, 0.00394599/step Wall: 9044.08, 0.00394599/step, 0.276877 hours remaining, 114.546875 MB of memory in use. ENERGY: 2247400 658.2125 1845.0984 1969.8655 112.5314 1.4169 -1033.7668 0.0000 0.0000 2715.4480 6268.8059 299.9288 3553.3579 6301.5719 301.2245 PRESSURE: 2247600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2247600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2247600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2247600 0 0 0 0 0 0 0 0 0 TIMING: 2247600 CPU: 9044.87, 0.0039468/step Wall: 9044.87, 0.0039468/step, 0.276714 hours remaining, 114.546875 MB of memory in use. ENERGY: 2247600 640.8456 1909.3417 1946.9703 92.5862 1.4950 -1053.1052 0.0000 0.0000 2758.1454 6296.2789 304.6448 3538.1335 6327.9487 302.2595 PRESSURE: 2247800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2247800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2247800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2247800 0 0 0 0 0 0 0 0 0 TIMING: 2247800 CPU: 9045.66, 0.0039448/step Wall: 9045.66, 0.0039448/step, 0.276355 hours remaining, 114.546875 MB of memory in use. ENERGY: 2247800 662.0369 1907.0908 1932.9666 120.7554 0.5974 -1070.5483 0.0000 0.0000 2743.7925 6296.6912 303.0595 3552.8986 6332.1717 303.4747 PRESSURE: 2248000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2248000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2248000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2248000 0 0 0 0 0 0 0 0 0 TIMING: 2248000 CPU: 9046.45, 0.00396596/step Wall: 9046.45, 0.00396596/step, 0.277617 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2248000 661.0808 1889.8559 1936.4848 110.4982 0.9124 -1111.6321 0.0000 0.0000 2768.3056 6255.5056 305.7671 3487.2000 6291.2089 303.2727 PRESSURE: 2248200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2248200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2248200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2248200 0 0 0 0 0 0 0 0 0 TIMING: 2248200 CPU: 9047.24, 0.00395201/step Wall: 9047.24, 0.00395201/step, 0.276421 hours remaining, 114.546875 MB of memory in use. ENERGY: 2248200 717.8703 1877.8976 1987.2097 108.3863 0.9817 -1128.3521 0.0000 0.0000 2746.3740 6310.3676 303.3447 3563.9935 6341.8993 302.3337 LDB: ============= START OF LOAD BALANCING ============== 9050.2 LDB: ============== END OF LOAD BALANCING =============== 9050.2 LDB: =============== DONE WITH MIGRATION ================ 9050.2 LDB: ============= START OF LOAD BALANCING ============== 9050.6 LDB: ============== END OF LOAD BALANCING =============== 9050.6 LDB: =============== DONE WITH MIGRATION ================ 9050.6 PRESSURE: 2248400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2248400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2248400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2248400 0 0 0 0 0 0 0 0 0 TIMING: 2248400 CPU: 9048.03, 0.00395379/step Wall: 9048.03, 0.00395379/step, 0.276326 hours remaining, 114.546875 MB of memory in use. ENERGY: 2248400 633.1082 1838.2045 1931.8076 109.5310 0.3574 -1052.0747 0.0000 0.0000 2758.0360 6218.9700 304.6328 3460.9340 6255.4721 302.4118 PRESSURE: 2248600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2248600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2248600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2248600 0 0 0 0 0 0 0 0 0 TIMING: 2248600 CPU: 9048.82, 0.00394775/step Wall: 9048.82, 0.00394775/step, 0.275684 hours remaining, 114.546875 MB of memory in use. ENERGY: 2248600 629.1879 1919.2807 1945.3270 94.5376 1.9199 -1047.2818 0.0000 0.0000 2681.8381 6224.8094 296.2165 3542.9712 6254.9826 299.7238 PRESSURE: 2248800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2248800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2248800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2248800 0 0 0 0 0 0 0 0 0 TIMING: 2248800 CPU: 9049.61, 0.00394572/step Wall: 9049.61, 0.00394572/step, 0.275324 hours remaining, 114.546875 MB of memory in use. ENERGY: 2248800 650.4007 1854.5417 1945.4904 108.9210 1.8464 -1079.2249 0.0000 0.0000 2720.8256 6202.8009 300.5228 3481.9753 6235.8757 299.3030 PRESSURE: 2249000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2249000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2249000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2249000 0 0 0 0 0 0 0 0 0 TIMING: 2249000 CPU: 9050.4, 0.00394753/step Wall: 9050.4, 0.00394753/step, 0.27523 hours remaining, 114.546875 MB of memory in use. ENERGY: 2249000 657.6481 1819.9209 1955.7196 103.1660 1.4689 -1087.9502 0.0000 0.0000 2707.2509 6157.2243 299.0234 3449.9733 6190.6699 297.0570 PRESSURE: 2249200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2249200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2249200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2249200 0 0 0 0 0 0 0 0 0 TIMING: 2249200 CPU: 9051.19, 0.0039499/step Wall: 9051.19, 0.0039499/step, 0.275176 hours remaining, 114.546875 MB of memory in use. ENERGY: 2249200 646.3697 1825.3354 1928.8996 111.4203 0.1449 -1108.3889 0.0000 0.0000 2746.2070 6149.9880 303.3262 3403.7810 6186.0908 298.4028 PRESSURE: 2249400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2249400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2249400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2249400 0 0 0 0 0 0 0 0 0 TIMING: 2249400 CPU: 9051.98, 0.00394826/step Wall: 9051.98, 0.00394826/step, 0.274843 hours remaining, 114.546875 MB of memory in use. ENERGY: 2249400 687.8987 1853.5057 1937.8248 111.5222 0.1277 -1143.1427 0.0000 0.0000 2690.9192 6138.6556 297.2195 3447.7363 6170.5291 297.6962 PRESSURE: 2249600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2249600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2249600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2249600 0 0 0 0 0 0 0 0 0 TIMING: 2249600 CPU: 9052.77, 0.00394672/step Wall: 9052.77, 0.00394672/step, 0.274516 hours remaining, 114.546875 MB of memory in use. ENERGY: 2249600 652.6806 1845.2018 1956.9336 119.5978 0.8003 -1114.4189 0.0000 0.0000 2650.1259 6110.9211 292.7138 3460.7952 6142.6250 296.6773 PRESSURE: 2249800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2249800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2249800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2249800 0 0 0 0 0 0 0 0 0 TIMING: 2249800 CPU: 9053.56, 0.00394473/step Wall: 9053.56, 0.00394473/step, 0.274159 hours remaining, 114.546875 MB of memory in use. ENERGY: 2249800 662.3046 1774.9959 1942.8355 110.3625 0.9350 -1086.9707 0.0000 0.0000 2649.5801 6054.0429 292.6535 3404.4628 6086.9182 292.8015 PRESSURE: 2250000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2250000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2250000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2250000 0 0 0 0 0 0 0 0 0 TIMING: 2250000 CPU: 9054.35, 0.00394751/step Wall: 9054.35, 0.00394751/step, 0.274133 hours remaining, 114.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2250000 624.5236 1846.8027 1946.0868 114.2855 0.4819 -1086.8891 0.0000 0.0000 2705.7071 6150.9984 298.8529 3445.2913 6184.4948 295.7769 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2250000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2250000 WRITING COORDINATES TO RESTART FILE AT STEP 2250000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2250000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2250200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2250200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2250200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2250200 0 0 0 0 0 0 0 0 0 TIMING: 2250200 CPU: 9055.17, 0.00411609/step Wall: 9055.17, 0.00411609/step, 0.285611 hours remaining, 114.546875 MB of memory in use. ENERGY: 2250200 679.2036 1805.6709 1939.7057 106.1197 0.7509 -1098.0851 0.0000 0.0000 2703.9820 6137.3477 298.6623 3433.3657 6172.2546 297.3858 PRESSURE: 2250400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2250400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2250400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2250400 0 0 0 0 0 0 0 0 0 TIMING: 2250400 CPU: 9055.96, 0.00394951/step Wall: 9055.96, 0.00394951/step, 0.273833 hours remaining, 114.546875 MB of memory in use. ENERGY: 2250400 661.0917 1864.4650 1942.7924 112.5816 1.2502 -1052.9318 0.0000 0.0000 2735.3840 6264.6330 302.1308 3529.2490 6295.3879 298.5183 PRESSURE: 2250600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2250600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2250600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2250600 0 0 0 0 0 0 0 0 0 TIMING: 2250600 CPU: 9056.75, 0.00394589/step Wall: 9056.75, 0.00394589/step, 0.273362 hours remaining, 114.546875 MB of memory in use. ENERGY: 2250600 650.3741 1885.4525 1906.2926 107.6601 1.3119 -1086.4463 0.0000 0.0000 2745.8108 6210.4557 303.2825 3464.6449 6242.9126 300.7661 PRESSURE: 2250800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2250800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2250800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2250800 0 0 0 0 0 0 0 0 0 TIMING: 2250800 CPU: 9057.54, 0.00395099/step Wall: 9057.54, 0.00395099/step, 0.273497 hours remaining, 114.546875 MB of memory in use. ENERGY: 2250800 698.5221 1858.3864 1956.8336 119.1260 1.3474 -1104.1920 0.0000 0.0000 2691.3880 6221.4115 297.2713 3530.0235 6249.7309 300.9196 PRESSURE: 2251000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2251000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2251000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2251000 0 0 0 0 0 0 0 0 0 TIMING: 2251000 CPU: 9058.33, 0.00395027/step Wall: 9058.33, 0.00395027/step, 0.273227 hours remaining, 114.546875 MB of memory in use. ENERGY: 2251000 660.1165 1927.0160 1976.3775 106.0661 1.3223 -1102.2361 0.0000 0.0000 2735.8729 6304.5352 302.1848 3568.6623 6338.0510 303.1730 PRESSURE: 2251200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2251200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2251200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2251200 0 0 0 0 0 0 0 0 0 TIMING: 2251200 CPU: 9059.12, 0.00396033/step Wall: 9059.12, 0.00396033/step, 0.273703 hours remaining, 114.546875 MB of memory in use. ENERGY: 2251200 693.9778 1830.1540 1943.6965 110.3742 0.4483 -1074.1383 0.0000 0.0000 2736.3422 6240.8547 302.2366 3504.5125 6273.2971 303.1965 PRESSURE: 2251400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2251400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2251400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2251400 0 0 0 0 0 0 0 0 0 TIMING: 2251400 CPU: 9059.91, 0.00394764/step Wall: 9059.91, 0.00394764/step, 0.272607 hours remaining, 114.546875 MB of memory in use. ENERGY: 2251400 659.5213 1786.2018 1941.6971 109.7038 1.8918 -1063.6469 0.0000 0.0000 2804.9159 6240.2848 309.8108 3435.3689 6273.8374 301.5630 PRESSURE: 2251600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2251600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2251600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2251600 0 0 0 0 0 0 0 0 0 TIMING: 2251600 CPU: 9060.7, 0.00394776/step Wall: 9060.7, 0.00394775/step, 0.272395 hours remaining, 114.546875 MB of memory in use. ENERGY: 2251600 667.5295 1894.8409 1931.7232 112.8571 0.6459 -1114.9448 0.0000 0.0000 2701.0163 6193.6680 298.3348 3492.6518 6224.7737 301.4366 PRESSURE: 2251800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2251800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2251800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2251800 0 0 0 0 0 0 0 0 0 TIMING: 2251800 CPU: 9061.49, 0.00395015/step Wall: 9061.49, 0.00395015/step, 0.272341 hours remaining, 114.550781 MB of memory in use. ENERGY: 2251800 637.8239 1889.8265 1943.4545 115.0163 0.9676 -1087.3015 0.0000 0.0000 2756.5956 6256.3829 304.4737 3499.7874 6291.6627 300.9813 PRESSURE: 2252000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2252000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2252000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2252000 0 0 0 0 0 0 0 0 0 TIMING: 2252000 CPU: 9062.28, 0.00394868/step Wall: 9062.28, 0.00394868/step, 0.27202 hours remaining, 114.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2252000 618.6306 1904.9128 1986.4088 118.7026 2.1004 -1067.7163 0.0000 0.0000 2708.8568 6271.8957 299.2008 3563.0389 6305.0093 301.9167 PRESSURE: 2252200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2252200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2252200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2252200 0 0 0 0 0 0 0 0 0 TIMING: 2252200 CPU: 9063.07, 0.003949/step Wall: 9063.07, 0.003949/step, 0.271823 hours remaining, 114.550781 MB of memory in use. ENERGY: 2252200 659.3740 1882.0926 1959.7559 98.1265 0.8867 -1064.7860 0.0000 0.0000 2739.6314 6275.0811 302.5999 3535.4496 6311.1406 302.3102 LDB: ============= START OF LOAD BALANCING ============== 9066.03 LDB: ============== END OF LOAD BALANCING =============== 9066.03 LDB: =============== DONE WITH MIGRATION ================ 9066.03 LDB: ============= START OF LOAD BALANCING ============== 9066.43 LDB: ============== END OF LOAD BALANCING =============== 9066.43 LDB: =============== DONE WITH MIGRATION ================ 9066.43 PRESSURE: 2252400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2252400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2252400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2252400 0 0 0 0 0 0 0 0 0 TIMING: 2252400 CPU: 9063.86, 0.00395274/step Wall: 9063.86, 0.00395274/step, 0.271861 hours remaining, 114.550781 MB of memory in use. ENERGY: 2252400 667.4634 1870.2120 1968.6114 117.3461 1.6517 -1080.2003 0.0000 0.0000 2766.6879 6311.7720 305.5884 3545.0842 6345.5743 302.8080 PRESSURE: 2252600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2252600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2252600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2252600 0 0 0 0 0 0 0 0 0 TIMING: 2252600 CPU: 9064.65, 0.00394601/step Wall: 9064.65, 0.00394601/step, 0.271178 hours remaining, 114.554688 MB of memory in use. ENERGY: 2252600 639.8521 1850.3404 1972.9141 104.0431 0.8093 -1076.4200 0.0000 0.0000 2819.3113 6310.8503 311.4008 3491.5391 6344.9561 305.2672 PRESSURE: 2252800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2252800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2252800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2252800 0 0 0 0 0 0 0 0 0 TIMING: 2252800 CPU: 9065.44, 0.00394835/step Wall: 9065.44, 0.00394835/step, 0.27112 hours remaining, 114.554688 MB of memory in use. ENERGY: 2252800 686.0108 1878.6061 1955.4031 105.0960 1.2572 -1107.7067 0.0000 0.0000 2795.0482 6313.7146 308.7209 3518.6664 6348.8409 306.1353 PRESSURE: 2253000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2253000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2253000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2253000 0 0 0 0 0 0 0 0 0 TIMING: 2253000 CPU: 9066.23, 0.00394911/step Wall: 9066.23, 0.00394911/step, 0.270953 hours remaining, 114.554688 MB of memory in use. ENERGY: 2253000 687.2949 1885.2905 1964.0092 102.0603 0.4971 -1070.3060 0.0000 0.0000 2795.8406 6364.6865 308.8084 3568.8460 6398.2520 307.2769 PRESSURE: 2253200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2253200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2253200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2253200 0 0 0 0 0 0 0 0 0 TIMING: 2253200 CPU: 9067.02, 0.00394944/step Wall: 9067.02, 0.00394944/step, 0.270756 hours remaining, 114.554688 MB of memory in use. ENERGY: 2253200 687.8991 1910.0376 1963.5421 114.1792 0.9716 -1077.9978 0.0000 0.0000 2704.4297 6303.0614 298.7118 3598.6317 6335.6842 305.2255 PRESSURE: 2253400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2253400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2253400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2253400 0 0 0 0 0 0 0 0 0 TIMING: 2253400 CPU: 9067.81, 0.00394929/step Wall: 9067.81, 0.00394929/step, 0.270526 hours remaining, 114.554688 MB of memory in use. ENERGY: 2253400 691.2314 1880.0365 1944.8683 113.0305 0.7296 -1098.9374 0.0000 0.0000 2742.9930 6273.9518 302.9712 3530.9588 6310.3320 305.3922 PRESSURE: 2253600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2253600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2253600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2253600 0 0 0 0 0 0 0 0 0 TIMING: 2253600 CPU: 9068.6, 0.00394724/step Wall: 9068.6, 0.00394724/step, 0.270166 hours remaining, 114.554688 MB of memory in use. ENERGY: 2253600 661.6877 1921.2359 1952.2326 109.3227 0.9250 -1083.7410 0.0000 0.0000 2726.7396 6288.4027 301.1760 3561.6630 6320.2001 302.0946 PRESSURE: 2253800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2253800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2253800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2253800 0 0 0 0 0 0 0 0 0 TIMING: 2253800 CPU: 9069.39, 0.00394994/step Wall: 9069.39, 0.00394995/step, 0.270133 hours remaining, 114.554688 MB of memory in use. ENERGY: 2253800 694.7420 1905.1203 1931.2297 115.8658 1.8432 -1076.4381 0.0000 0.0000 2677.5294 6249.8923 295.7406 3572.3629 6283.0795 303.2950 PRESSURE: 2254000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2254000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2254000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2254000 0 0 0 0 0 0 0 0 0 TIMING: 2254000 CPU: 9070.18, 0.00394884/step Wall: 9070.18, 0.00394884/step, 0.269838 hours remaining, 114.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2254000 676.3205 1878.7127 1921.2968 119.4896 1.1944 -1090.4363 0.0000 0.0000 2726.9374 6233.5151 301.1978 3506.5777 6269.7189 302.1207 PRESSURE: 2254200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2254200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2254200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2254200 0 0 0 0 0 0 0 0 0 TIMING: 2254200 CPU: 9070.97, 0.00394866/step Wall: 9070.97, 0.00394866/step, 0.269606 hours remaining, 114.554688 MB of memory in use. ENERGY: 2254200 643.6391 1899.5062 1943.6805 113.4064 1.1754 -1081.0787 0.0000 0.0000 2755.6510 6275.9799 304.3693 3520.3289 6309.9195 302.3625 PRESSURE: 2254400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2254400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2254400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2254400 0 0 0 0 0 0 0 0 0 TIMING: 2254400 CPU: 9071.76, 0.00394757/step Wall: 9071.76, 0.00394757/step, 0.269312 hours remaining, 114.554688 MB of memory in use. ENERGY: 2254400 662.0933 1867.9005 1957.9780 108.6278 0.8122 -1078.9634 0.0000 0.0000 2719.3006 6237.7491 300.3543 3518.4485 6268.7676 303.3005 PRESSURE: 2254600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2254600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2254600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2254600 0 0 0 0 0 0 0 0 0 TIMING: 2254600 CPU: 9072.55, 0.00394906/step Wall: 9072.55, 0.00394906/step, 0.269194 hours remaining, 114.554688 MB of memory in use. ENERGY: 2254600 665.1974 1910.5534 1982.7037 107.3489 -0.2305 -1110.0606 0.0000 0.0000 2678.3013 6233.8136 295.8258 3555.5122 6266.4623 302.6454 PRESSURE: 2254800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2254800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2254800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2254800 0 0 0 0 0 0 0 0 0 TIMING: 2254800 CPU: 9073.34, 0.00394945/step Wall: 9073.34, 0.00394945/step, 0.269001 hours remaining, 114.554688 MB of memory in use. ENERGY: 2254800 619.8169 1909.9430 1941.6877 104.8005 0.6103 -1092.8761 0.0000 0.0000 2708.5352 6192.5175 299.1653 3483.9823 6223.6985 299.2286 PRESSURE: 2255000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2255000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2255000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2255000 0 0 0 0 0 0 0 0 0 TIMING: 2255000 CPU: 9074.13, 0.00394884/step Wall: 9074.13, 0.00394884/step, 0.268741 hours remaining, 114.554688 MB of memory in use. ENERGY: 2255000 673.4932 1858.9556 1963.8389 118.1869 1.1692 -1131.2274 0.0000 0.0000 2673.3605 6157.7769 295.2801 3484.4164 6192.9695 299.7826 PRESSURE: 2255200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2255200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2255200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2255200 0 0 0 0 0 0 0 0 0 TIMING: 2255200 CPU: 9074.92, 0.0039493/step Wall: 9074.92, 0.0039493/step, 0.268552 hours remaining, 114.554688 MB of memory in use. ENERGY: 2255200 635.9522 1823.7890 1975.5739 101.6061 0.7835 -1094.6533 0.0000 0.0000 2707.1756 6150.2271 299.0151 3443.0515 6182.7949 296.4853 PRESSURE: 2255400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2255400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2255400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2255400 0 0 0 0 0 0 0 0 0 TIMING: 2255400 CPU: 9075.71, 0.00394794/step Wall: 9075.71, 0.00394793/step, 0.26824 hours remaining, 114.558594 MB of memory in use. ENERGY: 2255400 667.0885 1795.7362 1965.7400 121.7494 1.2791 -1068.6194 0.0000 0.0000 2701.4121 6184.3859 298.3785 3482.9738 6217.9989 295.0650 PRESSURE: 2255600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2255600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2255600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2255600 0 0 0 0 0 0 0 0 0 TIMING: 2255600 CPU: 9076.5, 0.00395013/step Wall: 9076.5, 0.00395013/step, 0.26817 hours remaining, 114.558594 MB of memory in use. ENERGY: 2255600 652.9917 1885.0807 1962.6462 111.5830 0.1323 -1089.8790 0.0000 0.0000 2695.3095 6217.8643 297.7044 3522.5548 6250.6333 300.9358 PRESSURE: 2255800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2255800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2255800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2255800 0 0 0 0 0 0 0 0 0 TIMING: 2255800 CPU: 9077.29, 0.00394897/step Wall: 9077.29, 0.00394897/step, 0.267872 hours remaining, 114.558594 MB of memory in use. ENERGY: 2255800 652.1225 1831.9343 1940.9438 104.1077 0.9672 -1082.1328 0.0000 0.0000 2752.5568 6200.4996 304.0276 3447.9428 6235.3809 300.3360 PRESSURE: 2256000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2256000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2256000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2256000 0 0 0 0 0 0 0 0 0 TIMING: 2256000 CPU: 9078.08, 0.00394791/step Wall: 9078.08, 0.00394791/step, 0.267581 hours remaining, 114.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2256000 656.3018 1848.0462 1923.7684 86.5788 2.2930 -1077.6778 0.0000 0.0000 2763.6398 6202.9503 305.2517 3439.3105 6239.2488 300.1360 PRESSURE: 2256200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2256200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2256200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2256200 0 0 0 0 0 0 0 0 0 TIMING: 2256200 CPU: 9078.87, 0.00394738/step Wall: 9078.87, 0.00394738/step, 0.267325 hours remaining, 114.558594 MB of memory in use. ENERGY: 2256200 622.4702 1838.3748 1996.8252 107.9830 1.2702 -1110.3898 0.0000 0.0000 2737.4624 6193.9961 302.3603 3456.5337 6230.4158 299.8106 LDB: ============= START OF LOAD BALANCING ============== 9081.83 LDB: ============== END OF LOAD BALANCING =============== 9081.83 LDB: =============== DONE WITH MIGRATION ================ 9081.83 LDB: ============= START OF LOAD BALANCING ============== 9082.22 LDB: ============== END OF LOAD BALANCING =============== 9082.22 LDB: =============== DONE WITH MIGRATION ================ 9082.22 PRESSURE: 2256400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2256400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2256400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2256400 0 0 0 0 0 0 0 0 0 TIMING: 2256400 CPU: 9079.66, 0.00394991/step Wall: 9079.66, 0.00394991/step, 0.267278 hours remaining, 114.558594 MB of memory in use. ENERGY: 2256400 660.4473 1939.2032 1930.3939 112.2327 1.6957 -1106.4283 0.0000 0.0000 2716.6786 6254.2231 300.0647 3537.5445 6286.8245 301.5334 PRESSURE: 2256600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2256600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2256600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2256600 0 0 0 0 0 0 0 0 0 TIMING: 2256600 CPU: 9080.45, 0.0039484/step Wall: 9080.45, 0.0039484/step, 0.266955 hours remaining, 114.558594 MB of memory in use. ENERGY: 2256600 644.7983 1853.0010 1990.6029 117.4702 0.1202 -1077.9458 0.0000 0.0000 2700.9983 6229.0453 298.3328 3528.0469 6263.5654 301.5128 PRESSURE: 2256800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2256800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2256800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2256800 0 0 0 0 0 0 0 0 0 TIMING: 2256800 CPU: 9081.24, 0.00394839/step Wall: 9081.24, 0.00394839/step, 0.266735 hours remaining, 114.558594 MB of memory in use. ENERGY: 2256800 630.9784 1842.3809 1972.0385 100.4812 0.9275 -1085.5061 0.0000 0.0000 2752.1315 6213.4320 303.9806 3461.3005 6249.6338 299.7803 PRESSURE: 2257000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2257000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2257000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2257000 0 0 0 0 0 0 0 0 0 TIMING: 2257000 CPU: 9082.02, 0.00394693/step Wall: 9082.02, 0.00394693/step, 0.266418 hours remaining, 114.558594 MB of memory in use. ENERGY: 2257000 667.5761 1865.4116 1941.3682 102.9019 1.3620 -1082.1985 0.0000 0.0000 2704.1014 6200.5227 298.6755 3496.4213 6230.9952 300.8036 PRESSURE: 2257200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2257200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2257200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2257200 0 0 0 0 0 0 0 0 0 TIMING: 2257200 CPU: 9082.81, 0.00394459/step Wall: 9082.81, 0.00394459/step, 0.266041 hours remaining, 114.558594 MB of memory in use. ENERGY: 2257200 662.8909 1840.8150 1916.0637 107.9860 1.5022 -1090.5336 0.0000 0.0000 2724.6526 6163.3768 300.9455 3438.7241 6197.7616 298.8982 PRESSURE: 2257400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2257400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2257400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2257400 0 0 0 0 0 0 0 0 0 TIMING: 2257400 CPU: 9083.6, 0.00394701/step Wall: 9083.6, 0.00394701/step, 0.265984 hours remaining, 114.558594 MB of memory in use. ENERGY: 2257400 620.1139 1828.6431 1962.8914 107.8641 -0.5759 -1037.8857 0.0000 0.0000 2712.9842 6194.0352 299.6567 3481.0510 6227.4754 298.9217 PRESSURE: 2257600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2257600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2257600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2257600 0 0 0 0 0 0 0 0 0 TIMING: 2257600 CPU: 9084.39, 0.00394604/step Wall: 9084.39, 0.00394604/step, 0.2657 hours remaining, 114.558594 MB of memory in use. ENERGY: 2257600 650.5627 1842.2712 1966.8691 112.6611 1.8546 -1094.0205 0.0000 0.0000 2715.2531 6195.4514 299.9073 3480.1983 6226.1268 299.9553 PRESSURE: 2257800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2257800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2257800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2257800 0 0 0 0 0 0 0 0 0 TIMING: 2257800 CPU: 9085.18, 0.00395042/step Wall: 9085.18, 0.00395042/step, 0.265775 hours remaining, 114.558594 MB of memory in use. ENERGY: 2257800 673.6076 1846.2941 1957.6004 100.6222 1.6125 -1099.6654 0.0000 0.0000 2694.3915 6174.4628 297.6030 3480.0713 6207.1188 298.7413 PRESSURE: 2258000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2258000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2258000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2258000 0 0 0 0 0 0 0 0 0 TIMING: 2258000 CPU: 9085.97, 0.00394836/step Wall: 9085.97, 0.00394836/step, 0.265417 hours remaining, 114.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2258000 666.7343 1867.0238 1962.6195 110.1914 1.2453 -1089.8068 0.0000 0.0000 2712.6347 6230.6422 299.6181 3518.0074 6264.2833 300.7060 PRESSURE: 2258200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2258200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2258200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2258200 0 0 0 0 0 0 0 0 0 TIMING: 2258200 CPU: 9086.76, 0.00394276/step Wall: 9086.76, 0.00394276/step, 0.264822 hours remaining, 114.558594 MB of memory in use. ENERGY: 2258200 647.8732 1891.3016 1942.8942 104.1411 0.9898 -1107.1175 0.0000 0.0000 2746.2763 6226.3586 303.3339 3480.0823 6260.8736 301.2573 PRESSURE: 2258400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2258400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2258400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2258400 0 0 0 0 0 0 0 0 0 TIMING: 2258400 CPU: 9087.55, 0.00394862/step Wall: 9087.55, 0.00394862/step, 0.264996 hours remaining, 114.558594 MB of memory in use. ENERGY: 2258400 682.8561 1905.6655 1945.6033 106.1149 1.0383 -1104.3316 0.0000 0.0000 2740.6853 6277.6318 302.7163 3536.9465 6307.4595 302.5179 PRESSURE: 2258600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2258600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2258600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2258600 0 0 0 0 0 0 0 0 0 TIMING: 2258600 CPU: 9088.34, 0.00394828/step Wall: 9088.34, 0.00394828/step, 0.264754 hours remaining, 114.558594 MB of memory in use. ENERGY: 2258600 653.5440 1853.3037 1957.4856 99.6535 2.2888 -1051.0754 0.0000 0.0000 2760.4909 6275.6911 304.9039 3515.2002 6309.7884 303.4077 PRESSURE: 2258800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2258800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2258800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2258800 0 0 0 0 0 0 0 0 0 TIMING: 2258800 CPU: 9089.13, 0.00395056/step Wall: 9089.13, 0.00395056/step, 0.264687 hours remaining, 114.558594 MB of memory in use. ENERGY: 2258800 672.6714 1863.5057 1963.0018 97.5420 2.9814 -1069.2081 0.0000 0.0000 2814.4314 6344.9257 310.8618 3530.4942 6379.8871 304.5156 PRESSURE: 2259000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2259000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2259000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2259000 0 0 0 0 0 0 0 0 0 TIMING: 2259000 CPU: 9089.92, 0.00394928/step Wall: 9089.92, 0.00394928/step, 0.264382 hours remaining, 114.558594 MB of memory in use. ENERGY: 2259000 655.9481 1854.9608 1952.6699 104.2988 1.0540 -1069.0067 0.0000 0.0000 2773.2194 6273.1443 306.3098 3499.9249 6306.6709 306.0364 PRESSURE: 2259200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2259200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2259200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2259200 0 0 0 0 0 0 0 0 0 TIMING: 2259200 CPU: 9090.71, 0.00394519/step Wall: 9090.71, 0.00394519/step, 0.263889 hours remaining, 114.558594 MB of memory in use. ENERGY: 2259200 652.5147 1862.4719 1964.1474 123.2469 0.8974 -1085.0986 0.0000 0.0000 2741.8641 6260.0437 302.8465 3518.1797 6293.4039 301.7845 PRESSURE: 2259400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2259400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2259400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2259400 0 0 0 0 0 0 0 0 0 TIMING: 2259400 CPU: 9091.5, 0.00394856/step Wall: 9091.5, 0.00394856/step, 0.263896 hours remaining, 114.558594 MB of memory in use. ENERGY: 2259400 694.3361 1918.6151 1928.6395 113.9646 -0.3851 -1089.6496 0.0000 0.0000 2661.9389 6227.4595 294.0186 3565.5205 6258.5864 300.4952 PRESSURE: 2259600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2259600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2259600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2259600 0 0 0 0 0 0 0 0 0 TIMING: 2259600 CPU: 9092.29, 0.00394804/step Wall: 9092.29, 0.00394804/step, 0.263642 hours remaining, 114.558594 MB of memory in use. ENERGY: 2259600 664.1509 1894.9601 1942.5323 108.3731 0.0880 -1085.4626 0.0000 0.0000 2689.1139 6213.7557 297.0201 3524.6418 6245.4011 301.7283 PRESSURE: 2259800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2259800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2259800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2259800 0 0 0 0 0 0 0 0 0 TIMING: 2259800 CPU: 9093.08, 0.00394905/step Wall: 9093.08, 0.00394905/step, 0.263489 hours remaining, 114.558594 MB of memory in use. ENERGY: 2259800 625.0142 1835.9982 1965.3599 110.8009 -0.1189 -1097.5490 0.0000 0.0000 2738.0346 6177.5400 302.4236 3439.5054 6211.4411 299.6419 PRESSURE: 2260000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2260000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2260000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2260000 0 0 0 0 0 0 0 0 0 TIMING: 2260000 CPU: 9093.87, 0.0039495/step Wall: 9093.87, 0.0039495/step, 0.2633 hours remaining, 114.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2260000 653.3931 1821.9638 1939.2251 107.6238 1.4232 -1043.3641 0.0000 0.0000 2646.9226 6127.1875 292.3600 3480.2649 6159.0622 297.2608 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2260000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2260000 WRITING COORDINATES TO RESTART FILE AT STEP 2260000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2260000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2260200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2260200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2260200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2260200 0 0 0 0 0 0 0 0 0 TIMING: 2260200 CPU: 9094.7, 0.00414914/step Wall: 9094.7, 0.00414914/step, 0.276379 hours remaining, 114.558594 MB of memory in use. ENERGY: 2260200 646.4222 1796.0525 1958.9428 117.8668 1.0930 -1071.5341 0.0000 0.0000 2694.8304 6143.6736 297.6515 3448.8432 6178.2629 296.1994 LDB: ============= START OF LOAD BALANCING ============== 9097.66 LDB: ============== END OF LOAD BALANCING =============== 9097.66 LDB: =============== DONE WITH MIGRATION ================ 9097.66 LDB: ============= START OF LOAD BALANCING ============== 9098.05 LDB: ============== END OF LOAD BALANCING =============== 9098.05 LDB: =============== DONE WITH MIGRATION ================ 9098.05 PRESSURE: 2260400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2260400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2260400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2260400 0 0 0 0 0 0 0 0 0 TIMING: 2260400 CPU: 9095.49, 0.00395276/step Wall: 9095.49, 0.00395276/step, 0.263078 hours remaining, 114.558594 MB of memory in use. ENERGY: 2260400 635.8068 1815.0500 1934.4748 118.8319 1.8167 -1082.0683 0.0000 0.0000 2721.0545 6144.9663 300.5480 3423.9118 6179.1640 296.6766 PRESSURE: 2260600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2260600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2260600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2260600 0 0 0 0 0 0 0 0 0 TIMING: 2260600 CPU: 9096.28, 0.00394769/step Wall: 9096.28, 0.00394769/step, 0.262521 hours remaining, 114.558594 MB of memory in use. ENERGY: 2260600 656.2884 1806.3576 1922.0413 110.2248 1.3017 -1099.8543 0.0000 0.0000 2727.7278 6124.0873 301.2851 3396.3595 6157.0030 295.9204 PRESSURE: 2260800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2260800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2260800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2260800 0 0 0 0 0 0 0 0 0 TIMING: 2260800 CPU: 9097.07, 0.0039474/step Wall: 9097.07, 0.0039474/step, 0.262282 hours remaining, 114.558594 MB of memory in use. ENERGY: 2260800 637.9701 1869.1488 1961.2963 109.9597 1.4680 -1116.8496 0.0000 0.0000 2686.9350 6149.9282 296.7795 3462.9932 6178.9288 295.9296 PRESSURE: 2261000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2261000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2261000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2261000 0 0 0 0 0 0 0 0 0 TIMING: 2261000 CPU: 9097.86, 0.00394449/step Wall: 9097.86, 0.00394449/step, 0.26187 hours remaining, 114.558594 MB of memory in use. ENERGY: 2261000 670.7868 1899.5913 1942.0916 106.2226 1.6892 -1067.3139 0.0000 0.0000 2642.4563 6195.5238 291.8667 3553.0676 6225.2279 298.4592 PRESSURE: 2261200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2261200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2261200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2261200 0 0 0 0 0 0 0 0 0 TIMING: 2261200 CPU: 9098.65, 0.00394292/step Wall: 9098.65, 0.00394292/step, 0.261547 hours remaining, 114.558594 MB of memory in use. ENERGY: 2261200 673.5768 1826.9997 1966.9022 110.3676 1.8106 -1117.1207 0.0000 0.0000 2705.9485 6168.4847 298.8795 3462.5362 6202.2033 298.8563 PRESSURE: 2261400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2261400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2261400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2261400 0 0 0 0 0 0 0 0 0 TIMING: 2261400 CPU: 9099.44, 0.00396125/step Wall: 9099.44, 0.00396125/step, 0.262543 hours remaining, 114.558594 MB of memory in use. ENERGY: 2261400 649.5126 1872.0548 1955.1574 113.2723 1.9142 -1066.6102 0.0000 0.0000 2695.7799 6221.0811 297.7564 3525.3012 6252.3353 299.8361 PRESSURE: 2261600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2261600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2261600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2261600 0 0 0 0 0 0 0 0 0 TIMING: 2261600 CPU: 9100.23, 0.00394681/step Wall: 9100.23, 0.00394681/step, 0.261367 hours remaining, 114.558594 MB of memory in use. ENERGY: 2261600 647.0891 1898.5136 1961.4009 120.2796 2.1951 -1099.7497 0.0000 0.0000 2728.9447 6258.6733 301.4195 3529.7286 6292.4116 301.6498 PRESSURE: 2261800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2261800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2261800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2261800 0 0 0 0 0 0 0 0 0 TIMING: 2261800 CPU: 9101.02, 0.00394812/step Wall: 9101.02, 0.00394812/step, 0.261234 hours remaining, 114.558594 MB of memory in use. ENERGY: 2261800 658.5360 1864.8735 1967.0287 116.1884 1.1836 -1058.0867 0.0000 0.0000 2727.9180 6277.6414 301.3061 3549.7235 6308.3584 301.8289 PRESSURE: 2262000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2262000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2262000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2262000 0 0 0 0 0 0 0 0 0 TIMING: 2262000 CPU: 9101.81, 0.00394758/step Wall: 9101.81, 0.00394758/step, 0.260979 hours remaining, 114.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2262000 634.6968 1868.3837 1974.6902 109.4667 0.8950 -1047.2832 0.0000 0.0000 2695.2318 6236.0811 297.6959 3540.8492 6266.5291 302.8262 PRESSURE: 2262200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2262200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2262200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2262200 0 0 0 0 0 0 0 0 0 TIMING: 2262200 CPU: 9102.6, 0.00394853/step Wall: 9102.6, 0.00394853/step, 0.260823 hours remaining, 114.558594 MB of memory in use. ENERGY: 2262200 655.9015 1843.2384 1973.6405 117.2548 1.9271 -1077.8580 0.0000 0.0000 2755.2412 6269.3456 304.3241 3514.1044 6302.9000 301.4543 PRESSURE: 2262400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2262400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2262400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2262400 0 0 0 0 0 0 0 0 0 TIMING: 2262400 CPU: 9103.39, 0.00394765/step Wall: 9103.39, 0.00394765/step, 0.260545 hours remaining, 114.558594 MB of memory in use. ENERGY: 2262400 655.8831 1905.0033 1945.9473 109.6623 0.3986 -1053.0482 0.0000 0.0000 2656.1200 6219.9664 293.3759 3563.8464 6247.1083 302.5600 PRESSURE: 2262600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2262600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2262600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2262600 0 0 0 0 0 0 0 0 0 TIMING: 2262600 CPU: 9104.18, 0.00395124/step Wall: 9104.18, 0.00395124/step, 0.260562 hours remaining, 114.558594 MB of memory in use. ENERGY: 2262600 663.5044 1834.1754 1989.1174 103.6117 0.6169 -1081.6288 0.0000 0.0000 2644.5091 6153.9061 292.0934 3509.3970 6184.8383 297.1707 PRESSURE: 2262800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2262800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2262800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2262800 0 0 0 0 0 0 0 0 0 TIMING: 2262800 CPU: 9104.97, 0.00394998/step Wall: 9104.97, 0.00394998/step, 0.26026 hours remaining, 114.558594 MB of memory in use. ENERGY: 2262800 648.3569 1840.6866 1948.1605 110.4547 0.6782 -1082.7689 0.0000 0.0000 2733.9983 6199.5664 301.9777 3465.5681 6233.9383 297.9535 PRESSURE: 2263000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2263000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2263000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2263000 0 0 0 0 0 0 0 0 0 TIMING: 2263000 CPU: 9105.76, 0.00394873/step Wall: 9105.76, 0.00394873/step, 0.259958 hours remaining, 114.558594 MB of memory in use. ENERGY: 2263000 624.1676 1892.0429 1957.9073 108.4741 1.8805 -1107.5008 0.0000 0.0000 2730.3168 6207.2884 301.5711 3476.9716 6240.2337 300.8636 PRESSURE: 2263200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2263200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2263200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2263200 0 0 0 0 0 0 0 0 0 TIMING: 2263200 CPU: 9106.55, 0.00396181/step Wall: 9106.55, 0.00396181/step, 0.260599 hours remaining, 114.558594 MB of memory in use. ENERGY: 2263200 648.0042 1864.5272 1943.1593 104.9964 0.5930 -1055.7578 0.0000 0.0000 2693.8862 6199.4086 297.5472 3505.5224 6230.3527 297.9278 PRESSURE: 2263400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2263400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2263400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2263400 0 0 0 0 0 0 0 0 0 TIMING: 2263400 CPU: 9107.34, 0.0039541/step Wall: 9107.34, 0.0039541/step, 0.259872 hours remaining, 114.558594 MB of memory in use. ENERGY: 2263400 664.9890 1879.6803 1940.6823 105.1690 0.6419 -1055.2891 0.0000 0.0000 2701.2930 6237.1664 298.3653 3535.8734 6267.4758 298.4227 PRESSURE: 2263600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2263600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2263600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2263600 0 0 0 0 0 0 0 0 0 TIMING: 2263600 CPU: 9108.13, 0.00395034/step Wall: 9108.13, 0.00395034/step, 0.259406 hours remaining, 114.558594 MB of memory in use. ENERGY: 2263600 673.0995 1851.9483 1964.3049 104.1309 0.7552 -1082.2646 0.0000 0.0000 2702.7688 6214.7430 298.5283 3511.9742 6245.9478 302.7290 PRESSURE: 2263800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2263800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2263800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2263800 0 0 0 0 0 0 0 0 0 TIMING: 2263800 CPU: 9108.92, 0.0039502/step Wall: 9108.92, 0.0039502/step, 0.259177 hours remaining, 114.558594 MB of memory in use. ENERGY: 2263800 664.9339 1875.9209 1970.7965 102.1157 2.6597 -1102.2682 0.0000 0.0000 2706.8563 6221.0149 298.9798 3514.1586 6255.0881 300.6923 PRESSURE: 2264000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2264000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2264000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2264000 0 0 0 0 0 0 0 0 0 TIMING: 2264000 CPU: 9109.71, 0.00394593/step Wall: 9109.71, 0.00394593/step, 0.258678 hours remaining, 114.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2264000 666.2980 1914.9878 1931.5536 103.7242 1.5028 -1100.3371 0.0000 0.0000 2692.4278 6210.1572 297.3862 3517.7293 6242.8508 299.5614 PRESSURE: 2264200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2264200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2264200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2264200 0 0 0 0 0 0 0 0 0 TIMING: 2264200 CPU: 9110.5, 0.0039493/step Wall: 9110.5, 0.0039493/step, 0.258679 hours remaining, 114.558594 MB of memory in use. ENERGY: 2264200 663.5116 1805.2613 1962.6922 100.8174 1.9014 -1086.5948 0.0000 0.0000 2720.3631 6167.9522 300.4717 3447.5891 6202.8433 299.1467 LDB: ============= START OF LOAD BALANCING ============== 9113.46 LDB: ============== END OF LOAD BALANCING =============== 9113.46 LDB: =============== DONE WITH MIGRATION ================ 9113.46 LDB: ============= START OF LOAD BALANCING ============== 9113.85 LDB: ============== END OF LOAD BALANCING =============== 9113.85 LDB: =============== DONE WITH MIGRATION ================ 9113.85 PRESSURE: 2264400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2264400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2264400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2264400 0 0 0 0 0 0 0 0 0 TIMING: 2264400 CPU: 9111.29, 0.00395452/step Wall: 9111.29, 0.00395452/step, 0.258802 hours remaining, 114.558594 MB of memory in use. ENERGY: 2264400 640.2356 1857.6762 1963.3403 100.6222 0.7325 -1133.5200 0.0000 0.0000 2677.4544 6106.5413 295.7323 3429.0869 6138.7485 298.0954 PRESSURE: 2264600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2264600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2264600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2264600 0 0 0 0 0 0 0 0 0 TIMING: 2264600 CPU: 9112.08, 0.0039485/step Wall: 9112.08, 0.0039485/step, 0.258188 hours remaining, 114.558594 MB of memory in use. ENERGY: 2264600 637.2126 1825.1515 1950.0219 97.9687 2.3091 -1091.3593 0.0000 0.0000 2643.9414 6065.2458 292.0307 3421.3044 6097.8275 294.5721 PRESSURE: 2264800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2264800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2264800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2264800 0 0 0 0 0 0 0 0 0 TIMING: 2264800 CPU: 9112.87, 0.00394457/step Wall: 9112.87, 0.00394457/step, 0.257712 hours remaining, 114.558594 MB of memory in use. ENERGY: 2264800 621.5279 1804.9752 1967.5582 108.1274 1.2735 -1056.7280 0.0000 0.0000 2674.6939 6121.4281 295.4274 3446.7342 6154.4478 293.9490 PRESSURE: 2265000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2265000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2265000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2265000 0 0 0 0 0 0 0 0 0 TIMING: 2265000 CPU: 9113.66, 0.00395089/step Wall: 9113.66, 0.00395089/step, 0.257905 hours remaining, 114.558594 MB of memory in use. ENERGY: 2265000 623.9927 1819.9482 1933.0573 119.4081 1.1784 -1088.5516 0.0000 0.0000 2698.3639 6107.3970 298.0418 3409.0330 6143.8915 295.8749 PRESSURE: 2265200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2265200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2265200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2265200 0 0 0 0 0 0 0 0 0 TIMING: 2265200 CPU: 9114.45, 0.00394907/step Wall: 9114.45, 0.00394907/step, 0.257567 hours remaining, 114.558594 MB of memory in use. ENERGY: 2265200 690.5414 1843.9536 1945.9307 103.9085 1.3732 -1099.8467 0.0000 0.0000 2690.7843 6176.6449 297.2046 3485.8606 6207.8145 297.3399 PRESSURE: 2265400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2265400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2265400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2265400 0 0 0 0 0 0 0 0 0 TIMING: 2265400 CPU: 9115.24, 0.00395094/step Wall: 9115.24, 0.00395094/step, 0.25747 hours remaining, 114.558594 MB of memory in use. ENERGY: 2265400 654.2714 1857.0813 1930.7175 110.2634 1.5959 -1078.6788 0.0000 0.0000 2674.8403 6150.0911 295.4436 3475.2508 6182.0169 296.1075 PRESSURE: 2265600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2265600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2265600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2265600 0 0 0 0 0 0 0 0 0 TIMING: 2265600 CPU: 9116.03, 0.00395039/step Wall: 9116.03, 0.00395039/step, 0.257214 hours remaining, 114.558594 MB of memory in use. ENERGY: 2265600 638.6221 1802.5939 1933.0819 114.3332 1.1910 -1047.7913 0.0000 0.0000 2705.7734 6147.8042 298.8602 3442.0308 6181.7469 295.7012 PRESSURE: 2265800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2265800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2265800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2265800 0 0 0 0 0 0 0 0 0 TIMING: 2265800 CPU: 9116.82, 0.00394495/step Wall: 9116.82, 0.00394495/step, 0.256641 hours remaining, 114.558594 MB of memory in use. ENERGY: 2265800 671.3467 1891.0215 1932.9582 101.5789 0.7533 -1086.5360 0.0000 0.0000 2709.6325 6220.7552 299.2865 3511.1227 6251.2100 296.9578 PRESSURE: 2266000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2266000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2266000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2266000 0 0 0 0 0 0 0 0 0 TIMING: 2266000 CPU: 9117.61, 0.00395159/step Wall: 9117.61, 0.00395159/step, 0.256853 hours remaining, 114.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2266000 661.7824 1870.4122 2000.2703 108.7613 2.3567 -1122.0028 0.0000 0.0000 2691.9691 6213.5492 297.3355 3521.5801 6244.4164 301.6532 PRESSURE: 2266200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2266200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2266200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2266200 0 0 0 0 0 0 0 0 0 TIMING: 2266200 CPU: 9118.4, 0.00395033/step Wall: 9118.4, 0.00395033/step, 0.256552 hours remaining, 114.558594 MB of memory in use. ENERGY: 2266200 678.3943 1814.7493 1967.2834 106.5753 0.8272 -1090.8785 0.0000 0.0000 2698.6358 6175.5867 298.0718 3476.9509 6208.1683 298.5514 PRESSURE: 2266400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2266400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2266400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2266400 0 0 0 0 0 0 0 0 0 TIMING: 2266400 CPU: 9119.19, 0.00395093/step Wall: 9119.19, 0.00395093/step, 0.256371 hours remaining, 114.558594 MB of memory in use. ENERGY: 2266400 698.2858 1795.2360 1949.9944 105.7967 1.9994 -1091.1801 0.0000 0.0000 2689.9254 6150.0575 297.1098 3460.1322 6185.0114 297.5917 PRESSURE: 2266600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2266600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2266600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2266600 0 0 0 0 0 0 0 0 0 TIMING: 2266600 CPU: 9119.98, 0.00395053/step Wall: 9119.98, 0.00395053/step, 0.256126 hours remaining, 114.558594 MB of memory in use. ENERGY: 2266600 663.4638 1897.4792 1951.1250 97.0198 1.6551 -1123.7884 0.0000 0.0000 2700.7420 6187.6965 298.3045 3486.9545 6221.4537 298.5449 PRESSURE: 2266800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2266800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2266800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2266800 0 0 0 0 0 0 0 0 0 TIMING: 2266800 CPU: 9120.77, 0.00394681/step Wall: 9120.77, 0.00394681/step, 0.255666 hours remaining, 114.558594 MB of memory in use. ENERGY: 2266800 669.7362 1847.7863 1927.9235 111.7447 0.9039 -1062.8169 0.0000 0.0000 2705.7574 6201.0352 298.8584 3495.2778 6233.8293 299.2427 PRESSURE: 2267000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2267000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2267000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2267000 0 0 0 0 0 0 0 0 0 TIMING: 2267000 CPU: 9121.56, 0.00395155/step Wall: 9121.56, 0.00395155/step, 0.255753 hours remaining, 114.558594 MB of memory in use. ENERGY: 2267000 649.2144 1838.6046 1942.1411 95.7126 2.3945 -1076.9851 0.0000 0.0000 2732.4002 6183.4823 301.8012 3451.0821 6217.1037 299.8353 PRESSURE: 2267200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2267200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2267200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2267200 0 0 0 0 0 0 0 0 0 TIMING: 2267200 CPU: 9122.35, 0.00395002/step Wall: 9122.35, 0.00395002/step, 0.255434 hours remaining, 114.558594 MB of memory in use. ENERGY: 2267200 652.7376 1859.5773 1951.1337 117.9210 2.5701 -1058.9530 0.0000 0.0000 2646.1745 6171.1613 292.2773 3524.9868 6202.6788 299.0152 PRESSURE: 2267400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2267400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2267400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2267400 0 0 0 0 0 0 0 0 0 TIMING: 2267400 CPU: 9123.14, 0.00395061/step Wall: 9123.14, 0.00395061/step, 0.255254 hours remaining, 114.558594 MB of memory in use. ENERGY: 2267400 646.0141 1842.4311 1974.0169 110.1107 2.4744 -1102.7844 0.0000 0.0000 2683.7710 6156.0340 296.4300 3472.2630 6190.0279 297.5060 PRESSURE: 2267600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2267600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2267600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2267600 0 0 0 0 0 0 0 0 0 TIMING: 2267600 CPU: 9123.93, 0.00394839/step Wall: 9123.93, 0.00394839/step, 0.254891 hours remaining, 114.558594 MB of memory in use. ENERGY: 2267600 671.2042 1832.9673 1967.7226 127.5201 1.0024 -1103.6994 0.0000 0.0000 2690.7822 6187.4994 297.2044 3496.7172 6220.0446 297.4135 PRESSURE: 2267800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2267800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2267800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2267800 0 0 0 0 0 0 0 0 0 TIMING: 2267800 CPU: 9124.72, 0.00394676/step Wall: 9124.72, 0.00394676/step, 0.254566 hours remaining, 114.558594 MB of memory in use. ENERGY: 2267800 655.5879 1890.4058 1931.7405 107.1180 0.6527 -1058.6993 0.0000 0.0000 2676.8016 6203.6072 295.6602 3526.8056 6235.4249 298.4917 PRESSURE: 2268000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2268000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2268000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2268000 0 0 0 0 0 0 0 0 0 TIMING: 2268000 CPU: 9125.51, 0.00395033/step Wall: 9125.51, 0.00395033/step, 0.254577 hours remaining, 114.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2268000 658.9124 1802.3159 1974.9371 106.1435 0.1047 -1073.7779 0.0000 0.0000 2744.8629 6213.4986 303.1777 3468.6357 6245.9500 299.7154 PRESSURE: 2268200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2268200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2268200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2268200 0 0 0 0 0 0 0 0 0 TIMING: 2268200 CPU: 9126.3, 0.00395004/step Wall: 9126.3, 0.00395004/step, 0.254339 hours remaining, 114.558594 MB of memory in use. ENERGY: 2268200 691.7380 1816.0976 1966.3879 115.4456 1.2646 -1111.3667 0.0000 0.0000 2700.5664 6180.1333 298.2851 3479.5669 6213.3650 299.8826 LDB: ============= START OF LOAD BALANCING ============== 9129.25 LDB: ============== END OF LOAD BALANCING =============== 9129.25 LDB: =============== DONE WITH MIGRATION ================ 9129.25 LDB: ============= START OF LOAD BALANCING ============== 9129.65 LDB: ============== END OF LOAD BALANCING =============== 9129.65 LDB: =============== DONE WITH MIGRATION ================ 9129.65 PRESSURE: 2268400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2268400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2268400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2268400 0 0 0 0 0 0 0 0 0 TIMING: 2268400 CPU: 9127.09, 0.00395467/step Wall: 9127.09, 0.00395467/step, 0.254417 hours remaining, 114.558594 MB of memory in use. ENERGY: 2268400 667.8327 1852.1038 1943.8602 105.6811 0.8494 -1049.8005 0.0000 0.0000 2646.3759 6166.9028 292.2996 3520.5268 6200.3090 297.6455 PRESSURE: 2268600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2268600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2268600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2268600 0 0 0 0 0 0 0 0 0 TIMING: 2268600 CPU: 9127.88, 0.0039449/step Wall: 9127.88, 0.0039449/step, 0.253569 hours remaining, 114.558594 MB of memory in use. ENERGY: 2268600 646.2994 1864.8783 1981.7326 105.7906 0.6557 -1142.5148 0.0000 0.0000 2743.1380 6199.9798 302.9872 3456.8418 6232.9143 299.2064 PRESSURE: 2268800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2268800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2268800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2268800 0 0 0 0 0 0 0 0 0 TIMING: 2268800 CPU: 9128.67, 0.00394971/step Wall: 9128.67, 0.00394971/step, 0.253659 hours remaining, 114.558594 MB of memory in use. ENERGY: 2268800 666.0320 1804.2854 1964.7028 110.8534 -0.0388 -1076.8392 0.0000 0.0000 2691.7685 6160.7641 297.3133 3468.9957 6193.0598 298.4320 PRESSURE: 2269000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2269000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2269000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2269000 0 0 0 0 0 0 0 0 0 TIMING: 2269000 CPU: 9129.46, 0.00395099/step Wall: 9129.46, 0.00395099/step, 0.253522 hours remaining, 114.558594 MB of memory in use. ENERGY: 2269000 662.0993 1888.1269 1930.0982 112.5293 -0.0555 -1064.3908 0.0000 0.0000 2674.3506 6202.7579 295.3895 3528.4073 6234.6584 298.7321 PRESSURE: 2269200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2269200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2269200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2269200 0 0 0 0 0 0 0 0 0 TIMING: 2269200 CPU: 9130.25, 0.00395437/step Wall: 9130.25, 0.00395437/step, 0.253519 hours remaining, 114.558594 MB of memory in use. ENERGY: 2269200 646.3474 1895.1925 1950.3388 100.6844 0.6229 -1077.1138 0.0000 0.0000 2737.8726 6253.9447 302.4057 3516.0721 6287.4391 300.0183 PRESSURE: 2269400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2269400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2269400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2269400 0 0 0 0 0 0 0 0 0 TIMING: 2269400 CPU: 9131.04, 0.00395351/step Wall: 9131.04, 0.00395351/step, 0.253244 hours remaining, 114.558594 MB of memory in use. ENERGY: 2269400 656.4006 1891.5385 1965.4855 97.3803 1.0690 -1067.2609 0.0000 0.0000 2688.1039 6232.7168 296.9086 3544.6129 6263.8693 299.9857 PRESSURE: 2269600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2269600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2269600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2269600 0 0 0 0 0 0 0 0 0 TIMING: 2269600 CPU: 9131.83, 0.00394675/step Wall: 9131.83, 0.00394675/step, 0.252592 hours remaining, 114.558594 MB of memory in use. ENERGY: 2269600 658.0184 1867.8097 1955.4545 114.7432 1.5950 -1113.2818 0.0000 0.0000 2732.5267 6216.8657 301.8152 3484.3391 6249.7542 300.3651 PRESSURE: 2269800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2269800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2269800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2269800 0 0 0 0 0 0 0 0 0 TIMING: 2269800 CPU: 9132.62, 0.00395161/step Wall: 9132.62, 0.00395161/step, 0.252684 hours remaining, 114.558594 MB of memory in use. ENERGY: 2269800 671.6744 1775.1857 1963.0462 111.2145 2.8284 -1078.3287 0.0000 0.0000 2726.4920 6172.1124 301.1486 3445.6205 6206.9462 298.0340 PRESSURE: 2270000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2270000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2270000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2270000 0 0 0 0 0 0 0 0 0 TIMING: 2270000 CPU: 9133.41, 0.00395198/step Wall: 9133.41, 0.00395198/step, 0.252488 hours remaining, 114.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2270000 664.4638 1864.5471 1949.8096 119.5976 0.4519 -1113.7442 0.0000 0.0000 2695.8348 6180.9605 297.7625 3485.1257 6214.0845 296.2476 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2270000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2270000 WRITING COORDINATES TO RESTART FILE AT STEP 2270000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2270000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2270200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2270200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2270200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2270200 0 0 0 0 0 0 0 0 0 TIMING: 2270200 CPU: 9134.25, 0.0042286/step Wall: 9134.25, 0.0042286/step, 0.269925 hours remaining, 114.699219 MB of memory in use. ENERGY: 2270200 650.7687 1890.7836 1980.2361 105.7138 1.8290 -1119.9389 0.0000 0.0000 2685.2992 6194.6914 296.5988 3509.3922 6231.2839 297.3214 PRESSURE: 2270400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2270400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2270400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2270400 0 0 0 0 0 0 0 0 0 TIMING: 2270400 CPU: 9135.04, 0.00395424/step Wall: 9135.04, 0.00395424/step, 0.252193 hours remaining, 114.699219 MB of memory in use. ENERGY: 2270400 649.2448 1862.7244 1987.4303 108.2899 0.6758 -1097.7216 0.0000 0.0000 2652.9427 6163.5862 293.0249 3510.6435 6195.3994 298.4738 PRESSURE: 2270600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2270600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2270600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2270600 0 0 0 0 0 0 0 0 0 TIMING: 2270600 CPU: 9135.83, 0.00394649/step Wall: 9135.83, 0.00394649/step, 0.251479 hours remaining, 114.699219 MB of memory in use. ENERGY: 2270600 597.6923 1830.6322 1948.3948 96.8728 -0.0347 -1052.3627 0.0000 0.0000 2716.8168 6138.0116 300.0800 3421.1948 6172.6867 295.8182 PRESSURE: 2270800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2270800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2270800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2270800 0 0 0 0 0 0 0 0 0 TIMING: 2270800 CPU: 9136.62, 0.00395275/step Wall: 9136.62, 0.00395275/step, 0.251658 hours remaining, 114.699219 MB of memory in use. ENERGY: 2270800 653.2665 1857.2644 1938.7911 96.1274 0.3347 -1082.2348 0.0000 0.0000 2699.8557 6163.4051 298.2066 3463.5493 6197.8725 295.2977 PRESSURE: 2271000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2271000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2271000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2271000 0 0 0 0 0 0 0 0 0 TIMING: 2271000 CPU: 9137.41, 0.00395434/step Wall: 9137.41, 0.00395434/step, 0.25154 hours remaining, 114.699219 MB of memory in use. ENERGY: 2271000 634.2896 1848.8907 1930.3802 113.7664 1.0714 -1087.6067 0.0000 0.0000 2719.3993 6160.1910 300.3652 3440.7917 6193.1520 296.8927 PRESSURE: 2271200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2271200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2271200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2271200 0 0 0 0 0 0 0 0 0 TIMING: 2271200 CPU: 9138.21, 0.00395395/step Wall: 9138.21, 0.00395395/step, 0.251296 hours remaining, 114.699219 MB of memory in use. ENERGY: 2271200 635.0312 1820.4307 1948.0889 126.1397 2.4364 -1048.2194 0.0000 0.0000 2727.9484 6211.8559 301.3095 3483.9075 6245.4624 299.0314 PRESSURE: 2271400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2271400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2271400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2271400 0 0 0 0 0 0 0 0 0 TIMING: 2271400 CPU: 9139, 0.00395874/step Wall: 9139, 0.00395874/step, 0.25138 hours remaining, 114.699219 MB of memory in use. ENERGY: 2271400 653.6045 1835.3737 1971.3587 112.6303 0.3752 -1094.4500 0.0000 0.0000 2687.3708 6166.2632 296.8276 3478.8924 6199.7547 298.6414 PRESSURE: 2271600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2271600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2271600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2271600 0 0 0 0 0 0 0 0 0 TIMING: 2271600 CPU: 9139.79, 0.0039465/step Wall: 9139.79, 0.0039465/step, 0.250383 hours remaining, 114.699219 MB of memory in use. ENERGY: 2271600 634.2194 1807.1070 1966.6712 114.8233 1.0897 -1082.4906 0.0000 0.0000 2728.6457 6170.0656 301.3865 3441.4200 6199.7352 298.2903 PRESSURE: 2271800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2271800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2271800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2271800 0 0 0 0 0 0 0 0 0 TIMING: 2271800 CPU: 9140.58, 0.0039535/step Wall: 9140.58, 0.0039535/step, 0.250608 hours remaining, 114.699219 MB of memory in use. ENERGY: 2271800 638.4648 1869.0540 1966.9418 106.5577 0.5898 -1040.5497 0.0000 0.0000 2697.0697 6238.1279 297.8989 3541.0583 6269.7008 298.7882 PRESSURE: 2272000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2272000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2272000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2272000 0 0 0 0 0 0 0 0 0 TIMING: 2272000 CPU: 9141.37, 0.00395448/step Wall: 9141.37, 0.00395448/step, 0.25045 hours remaining, 114.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2272000 659.9786 1869.9019 1967.7519 93.9649 1.5711 -1021.2578 0.0000 0.0000 2716.0043 6287.9149 299.9902 3571.9106 6319.5751 299.1868 PRESSURE: 2272200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2272200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2272200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2272200 0 0 0 0 0 0 0 0 0 TIMING: 2272200 CPU: 9142.16, 0.00395326/step Wall: 9142.16, 0.00395327/step, 0.250154 hours remaining, 114.699219 MB of memory in use. ENERGY: 2272200 680.6354 1868.2545 1952.4137 101.4174 1.2705 -1084.3276 0.0000 0.0000 2762.4471 6282.1111 305.1200 3519.6640 6314.6261 302.6786 LDB: ============= START OF LOAD BALANCING ============== 9145.12 LDB: ============== END OF LOAD BALANCING =============== 9145.12 LDB: =============== DONE WITH MIGRATION ================ 9145.12 LDB: ============= START OF LOAD BALANCING ============== 9145.51 LDB: ============== END OF LOAD BALANCING =============== 9145.51 LDB: =============== DONE WITH MIGRATION ================ 9145.51 PRESSURE: 2272400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2272400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2272400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2272400 0 0 0 0 0 0 0 0 0 TIMING: 2272400 CPU: 9142.95, 0.00395178/step Wall: 9142.95, 0.00395178/step, 0.24984 hours remaining, 114.699219 MB of memory in use. ENERGY: 2272400 665.6698 1883.6865 1957.0746 109.0937 0.7540 -1076.1239 0.0000 0.0000 2660.6698 6200.8246 293.8784 3540.1547 6232.3129 301.8455 PRESSURE: 2272600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2272600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2272600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2272600 0 0 0 0 0 0 0 0 0 TIMING: 2272600 CPU: 9143.74, 0.00395303/step Wall: 9143.74, 0.00395303/step, 0.2497 hours remaining, 114.699219 MB of memory in use. ENERGY: 2272600 628.1928 1920.9721 1945.6173 98.1988 0.3845 -1091.6538 0.0000 0.0000 2653.2265 6154.9383 293.0563 3501.7118 6187.5597 298.2434 PRESSURE: 2272800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2272800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2272800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2272800 0 0 0 0 0 0 0 0 0 TIMING: 2272800 CPU: 9144.53, 0.00395165/step Wall: 9144.53, 0.00395165/step, 0.249393 hours remaining, 114.699219 MB of memory in use. ENERGY: 2272800 636.2688 1882.8040 1956.4709 107.9240 2.0725 -1114.0031 0.0000 0.0000 2703.6242 6175.1614 298.6228 3471.5372 6205.2976 297.9841 PRESSURE: 2273000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2273000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2273000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2273000 0 0 0 0 0 0 0 0 0 TIMING: 2273000 CPU: 9145.32, 0.00395481/step Wall: 9145.32, 0.00395481/step, 0.249372 hours remaining, 114.699219 MB of memory in use. ENERGY: 2273000 621.1186 1895.1322 1936.8662 110.7479 1.3814 -1060.4688 0.0000 0.0000 2670.0089 6174.7863 294.9099 3504.7775 6206.7634 299.1231 PRESSURE: 2273200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2273200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2273200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2273200 0 0 0 0 0 0 0 0 0 TIMING: 2273200 CPU: 9146.11, 0.00395262/step Wall: 9146.11, 0.00395262/step, 0.249015 hours remaining, 114.699219 MB of memory in use. ENERGY: 2273200 656.8389 1858.1883 1962.9046 109.7728 0.7135 -1104.8606 0.0000 0.0000 2736.5264 6220.0839 302.2570 3483.5575 6254.1904 298.4814 PRESSURE: 2273400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2273400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2273400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2273400 0 0 0 0 0 0 0 0 0 TIMING: 2273400 CPU: 9146.9, 0.00394497/step Wall: 9146.9, 0.00394497/step, 0.248314 hours remaining, 114.699219 MB of memory in use. ENERGY: 2273400 641.4355 1889.6363 1941.4008 101.9407 1.1456 -1084.9117 0.0000 0.0000 2748.0683 6238.7154 303.5318 3490.6471 6272.3479 301.0831 PRESSURE: 2273600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2273600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2273600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2273600 0 0 0 0 0 0 0 0 0 TIMING: 2273600 CPU: 9147.69, 0.0039518/step Wall: 9147.69, 0.0039518/step, 0.248524 hours remaining, 114.699219 MB of memory in use. ENERGY: 2273600 664.0477 1862.2593 1955.8496 96.4146 0.9331 -1059.5159 0.0000 0.0000 2759.8524 6279.8407 304.8334 3519.9883 6313.8880 302.1497 PRESSURE: 2273800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2273800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2273800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2273800 0 0 0 0 0 0 0 0 0 TIMING: 2273800 CPU: 9148.48, 0.00395054/step Wall: 9148.48, 0.00395054/step, 0.248225 hours remaining, 114.699219 MB of memory in use. ENERGY: 2273800 646.0351 1891.5194 1921.8558 115.1320 1.7272 -1073.6508 0.0000 0.0000 2790.1135 6292.7323 308.1758 3502.6188 6325.2690 304.2953 PRESSURE: 2274000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2274000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2274000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2274000 0 0 0 0 0 0 0 0 0 TIMING: 2274000 CPU: 9149.27, 0.00395158/step Wall: 9149.27, 0.00395158/step, 0.248071 hours remaining, 114.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2274000 664.6954 1881.0173 1953.3840 106.5630 1.8007 -1106.2700 0.0000 0.0000 2772.0342 6273.2246 306.1789 3501.1904 6304.7357 302.7525 PRESSURE: 2274200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2274200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2274200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2274200 0 0 0 0 0 0 0 0 0 TIMING: 2274200 CPU: 9150.06, 0.00394966/step Wall: 9150.06, 0.00394966/step, 0.247731 hours remaining, 114.699219 MB of memory in use. ENERGY: 2274200 689.8455 1883.5465 1936.7117 108.1980 0.8902 -1114.5129 0.0000 0.0000 2771.8729 6276.5519 306.1611 3504.6790 6310.5065 303.3533 PRESSURE: 2274400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2274400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2274400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2274400 0 0 0 0 0 0 0 0 0 TIMING: 2274400 CPU: 9150.85, 0.00394757/step Wall: 9150.85, 0.00394757/step, 0.247381 hours remaining, 114.699219 MB of memory in use. ENERGY: 2274400 635.5345 1922.3271 1969.1727 112.4932 1.8211 -1103.4249 0.0000 0.0000 2752.5428 6290.4665 304.0260 3537.9237 6324.3911 304.9453 PRESSURE: 2274600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2274600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2274600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2274600 0 0 0 0 0 0 0 0 0 TIMING: 2274600 CPU: 9151.64, 0.00395753/step Wall: 9151.64, 0.00395753/step, 0.247785 hours remaining, 114.796875 MB of memory in use. ENERGY: 2274600 643.2914 1862.9334 1960.4382 112.5495 0.1948 -1088.9416 0.0000 0.0000 2809.6730 6300.1385 310.3362 3490.4655 6336.7619 303.5889 PRESSURE: 2274800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2274800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2274800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2274800 0 0 0 0 0 0 0 0 0 TIMING: 2274800 CPU: 9152.43, 0.0039546/step Wall: 9152.43, 0.0039546/step, 0.247382 hours remaining, 114.796875 MB of memory in use. ENERGY: 2274800 677.3954 1840.8844 1971.3400 108.4890 2.9064 -1059.9675 0.0000 0.0000 2728.7053 6269.7530 301.3931 3541.0477 6302.8975 302.3138 PRESSURE: 2275000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2275000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2275000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2275000 0 0 0 0 0 0 0 0 0 TIMING: 2275000 CPU: 9153.23, 0.00396026/step Wall: 9153.23, 0.00396026/step, 0.247516 hours remaining, 114.796875 MB of memory in use. ENERGY: 2275000 682.7409 1897.5633 1983.6125 111.9944 2.4597 -1056.5255 0.0000 0.0000 2722.6154 6344.4607 300.7205 3621.8453 6375.7124 303.7251 PRESSURE: 2275200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2275200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2275200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2275200 0 0 0 0 0 0 0 0 0 TIMING: 2275200 CPU: 9154.02, 0.00395479/step Wall: 9154.02, 0.00395479/step, 0.246955 hours remaining, 114.796875 MB of memory in use. ENERGY: 2275200 641.8040 1888.2544 1982.7034 114.8456 0.9841 -1052.8638 0.0000 0.0000 2746.1461 6321.8737 303.3195 3575.7276 6355.1836 305.0676 PRESSURE: 2275400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2275400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2275400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2275400 0 0 0 0 0 0 0 0 0 TIMING: 2275400 CPU: 9154.81, 0.00395775/step Wall: 9154.81, 0.00395775/step, 0.24692 hours remaining, 114.796875 MB of memory in use. ENERGY: 2275400 666.2575 1883.8155 1990.6999 95.1387 1.3506 -1093.5921 0.0000 0.0000 2733.3271 6276.9971 301.9036 3543.6700 6310.7310 303.9832 PRESSURE: 2275600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2275600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2275600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2275600 0 0 0 0 0 0 0 0 0 TIMING: 2275600 CPU: 9155.6, 0.0039557/step Wall: 9155.6, 0.0039557/step, 0.246572 hours remaining, 114.796875 MB of memory in use. ENERGY: 2275600 658.7600 1878.5372 1965.4689 110.2637 2.0602 -1092.3605 0.0000 0.0000 2724.7621 6247.4915 300.9576 3522.7294 6280.9560 302.8511 PRESSURE: 2275800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2275800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2275800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2275800 0 0 0 0 0 0 0 0 0 TIMING: 2275800 CPU: 9156.39, 0.00395226/step Wall: 9156.39, 0.00395226/step, 0.246138 hours remaining, 114.796875 MB of memory in use. ENERGY: 2275800 637.0741 1894.2896 1970.1677 122.1044 0.5339 -1096.2369 0.0000 0.0000 2782.9064 6310.8391 307.3798 3527.9327 6343.7617 303.4255 PRESSURE: 2276000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2276000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2276000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2276000 0 0 0 0 0 0 0 0 0 TIMING: 2276000 CPU: 9157.18, 0.00395651/step Wall: 9157.18, 0.00395651/step, 0.246183 hours remaining, 114.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2276000 649.4202 1953.6364 1985.8533 112.6053 0.3688 -1118.9611 0.0000 0.0000 2707.9807 6290.9036 299.1040 3582.9229 6323.8193 304.4927 PRESSURE: 2276200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2276200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2276200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2276200 0 0 0 0 0 0 0 0 0 TIMING: 2276200 CPU: 9157.97, 0.00394555/step Wall: 9157.97, 0.00394555/step, 0.245282 hours remaining, 114.796875 MB of memory in use. ENERGY: 2276200 639.6943 1913.5363 1963.7833 91.4379 0.8230 -1105.7914 0.0000 0.0000 2737.9534 6241.4368 302.4146 3503.4834 6274.3446 301.3696 LDB: ============= START OF LOAD BALANCING ============== 9160.93 LDB: ============== END OF LOAD BALANCING =============== 9160.93 LDB: =============== DONE WITH MIGRATION ================ 9160.93 LDB: ============= START OF LOAD BALANCING ============== 9161.33 LDB: ============== END OF LOAD BALANCING =============== 9161.33 LDB: =============== DONE WITH MIGRATION ================ 9161.33 PRESSURE: 2276400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2276400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2276400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2276400 0 0 0 0 0 0 0 0 0 TIMING: 2276400 CPU: 9158.76, 0.00395555/step Wall: 9158.76, 0.00395555/step, 0.245684 hours remaining, 114.796875 MB of memory in use. ENERGY: 2276400 629.0035 1884.0989 2009.0232 101.9372 1.8608 -1086.7100 0.0000 0.0000 2712.1474 6251.3610 299.5642 3539.2136 6286.4809 301.4495 PRESSURE: 2276600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2276600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2276600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2276600 0 0 0 0 0 0 0 0 0 TIMING: 2276600 CPU: 9159.55, 0.00395124/step Wall: 9159.55, 0.00395124/step, 0.245196 hours remaining, 114.796875 MB of memory in use. ENERGY: 2276600 641.9960 1855.6522 1974.3180 93.8211 1.4243 -1078.3418 0.0000 0.0000 2802.6287 6291.4985 309.5582 3488.8698 6327.2856 302.2986 PRESSURE: 2276800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2276800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2276800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2276800 0 0 0 0 0 0 0 0 0 TIMING: 2276800 CPU: 9160.34, 0.00395143/step Wall: 9160.34, 0.00395143/step, 0.244988 hours remaining, 114.796875 MB of memory in use. ENERGY: 2276800 700.1803 1873.3674 1944.7284 104.9977 0.5226 -1098.3493 0.0000 0.0000 2751.6050 6277.0522 303.9224 3525.4471 6311.3903 303.8675 PRESSURE: 2277000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2277000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2277000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2277000 0 0 0 0 0 0 0 0 0 TIMING: 2277000 CPU: 9161.13, 0.0039528/step Wall: 9161.13, 0.0039528/step, 0.244854 hours remaining, 114.796875 MB of memory in use. ENERGY: 2277000 663.4915 1886.6583 1973.1893 116.9091 0.9366 -1097.5563 0.0000 0.0000 2720.8828 6264.5113 300.5291 3543.6285 6298.6840 302.7570 PRESSURE: 2277200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2277200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2277200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2277200 0 0 0 0 0 0 0 0 0 TIMING: 2277200 CPU: 9161.92, 0.0039423/step Wall: 9161.92, 0.0039423/step, 0.243985 hours remaining, 114.796875 MB of memory in use. ENERGY: 2277200 694.8041 1872.2178 1949.3187 116.3613 1.6323 -1056.0179 0.0000 0.0000 2669.6310 6247.9473 294.8682 3578.3164 6280.0714 302.3360 PRESSURE: 2277400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2277400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2277400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2277400 0 0 0 0 0 0 0 0 0 TIMING: 2277400 CPU: 9162.71, 0.00395035/step Wall: 9162.71, 0.00395034/step, 0.244263 hours remaining, 114.796875 MB of memory in use. ENERGY: 2277400 685.4279 1824.6886 1967.6924 123.1209 0.5944 -1104.1299 0.0000 0.0000 2737.1386 6234.5329 302.3246 3497.3943 6269.5794 300.5817 PRESSURE: 2277600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2277600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2277600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2277600 0 0 0 0 0 0 0 0 0 TIMING: 2277600 CPU: 9163.5, 0.0039674/step Wall: 9163.5, 0.00396741/step, 0.245097 hours remaining, 114.796875 MB of memory in use. ENERGY: 2277600 657.9362 1796.4854 1946.2219 113.9094 2.2865 -1095.8222 0.0000 0.0000 2744.0764 6165.0936 303.0909 3421.0172 6197.7797 298.6775 PRESSURE: 2277800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2277800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2277800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2277800 0 0 0 0 0 0 0 0 0 TIMING: 2277800 CPU: 9164.29, 0.00395265/step Wall: 9164.29, 0.00395265/step, 0.243967 hours remaining, 114.796875 MB of memory in use. ENERGY: 2277800 649.3042 1861.9880 1975.2148 99.7195 2.3373 -1103.7735 0.0000 0.0000 2659.0759 6143.8662 293.7023 3484.7903 6176.5635 297.7028 PRESSURE: 2278000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2278000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2278000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2278000 0 0 0 0 0 0 0 0 0 TIMING: 2278000 CPU: 9165.09, 0.00395364/step Wall: 9165.09, 0.00395364/step, 0.243808 hours remaining, 114.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2278000 639.4923 1789.8003 1978.6756 106.0862 0.3847 -1087.9290 0.0000 0.0000 2723.4892 6149.9993 300.8170 3426.5100 6184.3124 298.0478 PRESSURE: 2278200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2278200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2278200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2278200 0 0 0 0 0 0 0 0 0 TIMING: 2278200 CPU: 9165.87, 0.00394861/step Wall: 9165.87, 0.00394861/step, 0.243278 hours remaining, 114.796875 MB of memory in use. ENERGY: 2278200 656.0702 1835.7554 1934.0097 104.7468 1.7805 -1077.6520 0.0000 0.0000 2669.0927 6123.8033 294.8087 3454.7106 6156.0787 295.0610 PRESSURE: 2278400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2278400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2278400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2278400 0 0 0 0 0 0 0 0 0 TIMING: 2278400 CPU: 9166.67, 0.00396973/step Wall: 9166.67, 0.00396973/step, 0.244359 hours remaining, 114.804688 MB of memory in use. ENERGY: 2278400 654.2429 1815.5612 1948.3289 101.9406 0.9474 -1069.9843 0.0000 0.0000 2662.4966 6113.5334 294.0802 3451.0367 6147.2380 295.4451 PRESSURE: 2278600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2278600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2278600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2278600 0 0 0 0 0 0 0 0 0 TIMING: 2278600 CPU: 9167.46, 0.00395978/step Wall: 9167.46, 0.00395977/step, 0.243526 hours remaining, 114.804688 MB of memory in use. ENERGY: 2278600 644.3815 1819.5104 1976.0843 101.2523 2.0696 -1082.4313 0.0000 0.0000 2652.6272 6113.4940 292.9901 3460.8667 6144.7038 295.0251 PRESSURE: 2278800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2278800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2278800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2278800 0 0 0 0 0 0 0 0 0 TIMING: 2278800 CPU: 9168.25, 0.00395252/step Wall: 9168.25, 0.00395252/step, 0.24286 hours remaining, 114.804688 MB of memory in use. ENERGY: 2278800 647.0247 1826.5984 1974.2748 103.6197 2.6588 -1092.5596 0.0000 0.0000 2705.3885 6167.0052 298.8177 3461.6168 6196.7140 296.5808 PRESSURE: 2279000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2279000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2279000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2279000 0 0 0 0 0 0 0 0 0 TIMING: 2279000 CPU: 9169.04, 0.00395566/step Wall: 9169.04, 0.00395566/step, 0.242833 hours remaining, 114.804688 MB of memory in use. ENERGY: 2279000 620.2772 1898.5767 1984.8571 113.3771 2.1227 -1112.3822 0.0000 0.0000 2719.5154 6226.3440 300.3781 3506.8285 6257.7317 299.8863 PRESSURE: 2279200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2279200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2279200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2279200 0 0 0 0 0 0 0 0 0 TIMING: 2279200 CPU: 9169.83, 0.00394487/step Wall: 9169.83, 0.00394487/step, 0.241952 hours remaining, 114.804688 MB of memory in use. ENERGY: 2279200 637.9995 1899.2242 1943.5933 114.0806 1.5381 -1102.1094 0.0000 0.0000 2703.3825 6197.7089 298.5961 3494.3263 6228.8187 301.1281 PRESSURE: 2279400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2279400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2279400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2279400 0 0 0 0 0 0 0 0 0 TIMING: 2279400 CPU: 9170.62, 0.00395865/step Wall: 9170.62, 0.00395865/step, 0.242577 hours remaining, 114.804688 MB of memory in use. ENERGY: 2279400 669.6906 1854.5369 1945.5275 105.8733 0.7979 -1116.5991 0.0000 0.0000 2711.0558 6170.8829 299.4437 3459.8271 6206.2147 299.4867 PRESSURE: 2279600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2279600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2279600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2279600 0 0 0 0 0 0 0 0 0 TIMING: 2279600 CPU: 9171.41, 0.0039585/step Wall: 9171.41, 0.0039585/step, 0.242348 hours remaining, 114.808594 MB of memory in use. ENERGY: 2279600 667.6285 1848.6699 1949.2677 101.9179 2.2078 -1088.2370 0.0000 0.0000 2678.8464 6160.3012 295.8860 3481.4548 6191.2133 297.0809 PRESSURE: 2279800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2279800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2279800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2279800 0 0 0 0 0 0 0 0 0 TIMING: 2279800 CPU: 9172.21, 0.00396268/step Wall: 9172.21, 0.00396268/step, 0.242384 hours remaining, 114.808594 MB of memory in use. ENERGY: 2279800 607.9787 1849.0906 1937.4972 99.6734 0.9902 -1065.9395 0.0000 0.0000 2638.1837 6067.4742 291.3947 3429.2906 6099.0389 294.3650 PRESSURE: 2280000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2280000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2280000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2280000 0 0 0 0 0 0 0 0 0 TIMING: 2280000 CPU: 9173, 0.00394812/step Wall: 9173, 0.00394812/step, 0.241274 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2280000 639.8256 1795.4095 1972.1635 101.8334 2.5350 -1109.4941 0.0000 0.0000 2636.9456 6039.2184 291.2580 3402.2728 6073.6909 291.8069 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2280000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2280000 WRITING COORDINATES TO RESTART FILE AT STEP 2280000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2280000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2280200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2280200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2280200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2280200 0 0 0 0 0 0 0 0 0 TIMING: 2280200 CPU: 9173.88, 0.00441573/step Wall: 9173.88, 0.00441573/step, 0.269605 hours remaining, 114.808594 MB of memory in use. ENERGY: 2280200 601.8710 1786.2275 1972.8292 113.7200 1.1804 -1048.6316 0.0000 0.0000 2669.0351 6096.2316 294.8024 3427.1965 6131.0806 290.8639 LDB: ============= START OF LOAD BALANCING ============== 9176.84 LDB: ============== END OF LOAD BALANCING =============== 9176.84 LDB: =============== DONE WITH MIGRATION ================ 9176.84 LDB: ============= START OF LOAD BALANCING ============== 9177.24 LDB: ============== END OF LOAD BALANCING =============== 9177.24 LDB: =============== DONE WITH MIGRATION ================ 9177.24 PRESSURE: 2280400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2280400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2280400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2280400 0 0 0 0 0 0 0 0 0 TIMING: 2280400 CPU: 9174.67, 0.00395836/step Wall: 9174.67, 0.00395836/step, 0.24146 hours remaining, 114.808594 MB of memory in use. ENERGY: 2280400 663.5628 1859.1792 1967.5925 111.7678 1.7514 -1081.7836 0.0000 0.0000 2632.0594 6154.1296 290.7183 3522.0702 6185.8618 294.8953 PRESSURE: 2280600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2280600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2280600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2280600 0 0 0 0 0 0 0 0 0 TIMING: 2280600 CPU: 9175.46, 0.00395563/step Wall: 9175.46, 0.00395563/step, 0.241074 hours remaining, 114.808594 MB of memory in use. ENERGY: 2280600 651.6595 1851.5996 1952.8915 113.1414 0.9767 -1066.3980 0.0000 0.0000 2704.5557 6208.4264 298.7257 3503.8707 6238.2154 298.8255 PRESSURE: 2280800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2280800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2280800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2280800 0 0 0 0 0 0 0 0 0 TIMING: 2280800 CPU: 9176.25, 0.00395334/step Wall: 9176.25, 0.00395334/step, 0.240714 hours remaining, 114.808594 MB of memory in use. ENERGY: 2280800 673.7712 1868.0077 1950.9334 109.9820 1.6554 -1065.2642 0.0000 0.0000 2687.2959 6226.3816 296.8193 3539.0857 6258.8332 301.2587 PRESSURE: 2281000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2281000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2281000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2281000 0 0 0 0 0 0 0 0 0 TIMING: 2281000 CPU: 9177.04, 0.00395537/step Wall: 9177.04, 0.00395537/step, 0.240619 hours remaining, 114.808594 MB of memory in use. ENERGY: 2281000 655.9869 1911.1913 1973.3254 108.6898 0.7243 -1127.8171 0.0000 0.0000 2685.2259 6207.3265 296.5907 3522.1006 6240.7163 300.1378 PRESSURE: 2281200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2281200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2281200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2281200 0 0 0 0 0 0 0 0 0 TIMING: 2281200 CPU: 9177.83, 0.00394526/step Wall: 9177.83, 0.00394526/step, 0.239784 hours remaining, 114.808594 MB of memory in use. ENERGY: 2281200 634.3441 1877.0672 1976.1066 100.0692 0.5932 -1100.3310 0.0000 0.0000 2697.8389 6185.6883 297.9838 3487.8494 6219.5603 298.9123 PRESSURE: 2281400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2281400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2281400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2281400 0 0 0 0 0 0 0 0 0 TIMING: 2281400 CPU: 9178.63, 0.00395968/step Wall: 9178.63, 0.00395968/step, 0.240441 hours remaining, 114.808594 MB of memory in use. ENERGY: 2281400 653.9204 1879.2521 1961.0059 108.1526 0.5733 -1055.9023 0.0000 0.0000 2685.9601 6232.9620 296.6718 3547.0020 6262.8345 299.8977 PRESSURE: 2281600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2281600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2281600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2281600 0 0 0 0 0 0 0 0 0 TIMING: 2281600 CPU: 9179.42, 0.00395605/step Wall: 9179.42, 0.00395605/step, 0.24 hours remaining, 114.808594 MB of memory in use. ENERGY: 2281600 626.5109 1838.7250 1971.7119 104.3044 2.2468 -1076.6871 0.0000 0.0000 2724.6771 6191.4890 300.9482 3466.8119 6226.7112 301.0547 PRESSURE: 2281800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2281800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2281800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2281800 0 0 0 0 0 0 0 0 0 TIMING: 2281800 CPU: 9180.21, 0.00396166/step Wall: 9180.21, 0.00396166/step, 0.240121 hours remaining, 114.808594 MB of memory in use. ENERGY: 2281800 676.7608 1832.1806 1956.2134 103.2724 1.2183 -1092.8636 0.0000 0.0000 2754.1328 6230.9147 304.2016 3476.7819 6264.7142 298.1267 PRESSURE: 2282000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2282000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2282000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2282000 0 0 0 0 0 0 0 0 0 TIMING: 2282000 CPU: 9181, 0.003948/step Wall: 9181, 0.003948/step, 0.239074 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2282000 665.3063 1850.6427 1950.8919 117.9636 2.1887 -1092.3723 0.0000 0.0000 2750.4361 6245.0570 303.7933 3494.6209 6276.4262 303.3080 PRESSURE: 2282200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2282200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2282200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2282200 0 0 0 0 0 0 0 0 0 TIMING: 2282200 CPU: 9181.79, 0.00396137/step Wall: 9181.79, 0.00396137/step, 0.239663 hours remaining, 114.808594 MB of memory in use. ENERGY: 2282200 629.6955 1851.5609 1963.2551 113.4674 1.3122 -1057.7433 0.0000 0.0000 2758.5665 6260.1143 304.6914 3501.5478 6297.1244 302.7031 PRESSURE: 2282400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2282400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2282400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2282400 0 0 0 0 0 0 0 0 0 TIMING: 2282400 CPU: 9182.58, 0.00395398/step Wall: 9182.58, 0.00395398/step, 0.238996 hours remaining, 114.808594 MB of memory in use. ENERGY: 2282400 680.4490 1798.9781 1980.7578 112.9171 0.9694 -1092.0701 0.0000 0.0000 2755.4385 6237.4398 304.3459 3482.0014 6273.8514 301.5766 PRESSURE: 2282600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2282600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2282600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2282600 0 0 0 0 0 0 0 0 0 TIMING: 2282600 CPU: 9183.37, 0.00395709/step Wall: 9183.37, 0.00395709/step, 0.238964 hours remaining, 114.808594 MB of memory in use. ENERGY: 2282600 683.9931 1832.0338 1981.4902 102.8897 1.0305 -1082.9330 0.0000 0.0000 2756.6221 6275.1264 304.4766 3518.5043 6308.0391 302.0557 PRESSURE: 2282800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2282800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2282800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2282800 0 0 0 0 0 0 0 0 0 TIMING: 2282800 CPU: 9184.16, 0.00395148/step Wall: 9184.16, 0.00395148/step, 0.238406 hours remaining, 114.808594 MB of memory in use. ENERGY: 2282800 677.1493 1828.4274 1973.6121 106.4807 2.0433 -1092.3066 0.0000 0.0000 2738.3424 6233.7486 302.4575 3495.4062 6266.4136 303.3741 PRESSURE: 2283000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2283000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2283000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2283000 0 0 0 0 0 0 0 0 0 TIMING: 2283000 CPU: 9184.95, 0.0039481/step Wall: 9184.95, 0.00394809/step, 0.237982 hours remaining, 114.808594 MB of memory in use. ENERGY: 2283000 636.0088 1913.1892 1943.7558 106.7499 1.7555 -1070.1659 0.0000 0.0000 2645.8857 6177.1791 292.2454 3531.2934 6208.7801 299.9603 PRESSURE: 2283200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2283200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2283200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2283200 0 0 0 0 0 0 0 0 0 TIMING: 2283200 CPU: 9185.74, 0.00395315/step Wall: 9185.74, 0.00395316/step, 0.238068 hours remaining, 114.808594 MB of memory in use. ENERGY: 2283200 643.4524 1855.8004 1953.5107 123.1817 3.1027 -1123.9788 0.0000 0.0000 2693.5875 6148.6567 297.5142 3455.0691 6182.6923 297.9749 PRESSURE: 2283400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2283400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2283400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2283400 0 0 0 0 0 0 0 0 0 TIMING: 2283400 CPU: 9186.54, 0.00396137/step Wall: 9186.54, 0.00396137/step, 0.238342 hours remaining, 114.808594 MB of memory in use. ENERGY: 2283400 659.9474 1834.4735 1940.2989 119.9075 1.4343 -1128.8194 0.0000 0.0000 2709.0315 6136.2737 299.2201 3427.2422 6171.8999 298.6527 PRESSURE: 2283600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2283600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2283600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2283600 0 0 0 0 0 0 0 0 0 TIMING: 2283600 CPU: 9187.33, 0.00395678/step Wall: 9187.33, 0.00395678/step, 0.237846 hours remaining, 114.808594 MB of memory in use. ENERGY: 2283600 642.6309 1927.5152 1928.0171 104.4718 2.8393 -1134.8292 0.0000 0.0000 2681.2947 6151.9397 296.1565 3470.6450 6180.8038 298.1894 PRESSURE: 2283800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2283800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2283800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2283800 0 0 0 0 0 0 0 0 0 TIMING: 2283800 CPU: 9188.12, 0.00395889/step Wall: 9188.12, 0.00395889/step, 0.237753 hours remaining, 114.808594 MB of memory in use. ENERGY: 2283800 673.2243 1875.4797 1922.2799 125.5261 1.8570 -1113.6162 0.0000 0.0000 2658.9413 6143.6920 293.6875 3484.7507 6173.3263 296.1168 PRESSURE: 2284000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2284000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2284000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2284000 0 0 0 0 0 0 0 0 0 TIMING: 2284000 CPU: 9188.91, 0.00395536/step Wall: 9188.91, 0.00395536/step, 0.237322 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2284000 665.3696 1865.0391 1958.7942 114.3230 2.2078 -1114.7557 0.0000 0.0000 2614.0675 6105.0455 288.7310 3490.9781 6136.2049 296.3072 PRESSURE: 2284200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2284200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2284200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2284200 0 0 0 0 0 0 0 0 0 TIMING: 2284200 CPU: 9189.7, 0.0039666/step Wall: 9189.7, 0.0039666/step, 0.237776 hours remaining, 114.808594 MB of memory in use. ENERGY: 2284200 628.4706 1837.2181 1967.3959 98.4981 2.3772 -1092.5129 0.0000 0.0000 2697.1219 6138.5688 297.9046 3441.4469 6169.4472 294.4043 LDB: ============= START OF LOAD BALANCING ============== 9192.67 LDB: ============== END OF LOAD BALANCING =============== 9192.67 LDB: =============== DONE WITH MIGRATION ================ 9192.67 LDB: ============= START OF LOAD BALANCING ============== 9193.06 LDB: ============== END OF LOAD BALANCING =============== 9193.06 LDB: =============== DONE WITH MIGRATION ================ 9193.06 PRESSURE: 2284400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2284400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2284400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2284400 0 0 0 0 0 0 0 0 0 TIMING: 2284400 CPU: 9190.5, 0.00397213/step Wall: 9190.5, 0.00397213/step, 0.237886 hours remaining, 114.808594 MB of memory in use. ENERGY: 2284400 633.4659 1856.2081 1945.9577 105.8197 3.1687 -1090.9595 0.0000 0.0000 2719.5006 6173.1612 300.3764 3453.6606 6206.4678 298.3287 PRESSURE: 2284600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2284600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2284600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2284600 0 0 0 0 0 0 0 0 0 TIMING: 2284600 CPU: 9191.29, 0.00395797/step Wall: 9191.29, 0.00395797/step, 0.236819 hours remaining, 114.808594 MB of memory in use. ENERGY: 2284600 646.8374 1809.9625 1971.1138 117.5909 1.9080 -1037.2110 0.0000 0.0000 2705.5907 6215.7922 298.8400 3510.2015 6248.6667 300.8613 PRESSURE: 2284800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2284800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2284800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2284800 0 0 0 0 0 0 0 0 0 TIMING: 2284800 CPU: 9192.08, 0.0039556/step Wall: 9192.08, 0.0039556/step, 0.236457 hours remaining, 114.808594 MB of memory in use. ENERGY: 2284800 664.1918 1886.6762 1939.4786 119.9036 2.3752 -1108.6409 0.0000 0.0000 2705.2358 6209.2203 298.8008 3503.9845 6241.4361 300.1619 PRESSURE: 2285000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2285000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2285000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2285000 0 0 0 0 0 0 0 0 0 TIMING: 2285000 CPU: 9192.87, 0.00396884/step Wall: 9192.87, 0.00396884/step, 0.237028 hours remaining, 114.808594 MB of memory in use. ENERGY: 2285000 672.3176 1853.0036 1941.5747 127.2087 1.5274 -1097.4137 0.0000 0.0000 2713.1591 6211.3774 299.6760 3498.2183 6244.9481 301.1195 PRESSURE: 2285200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2285200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2285200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2285200 0 0 0 0 0 0 0 0 0 TIMING: 2285200 CPU: 9193.67, 0.00396966/step Wall: 9193.67, 0.00396966/step, 0.236856 hours remaining, 114.808594 MB of memory in use. ENERGY: 2285200 627.7439 1831.2383 1944.6425 116.3570 0.6723 -1030.2026 0.0000 0.0000 2647.4448 6137.8962 292.4177 3490.4514 6172.7786 298.3619 PRESSURE: 2285400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2285400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2285400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2285400 0 0 0 0 0 0 0 0 0 TIMING: 2285400 CPU: 9194.46, 0.00396102/step Wall: 9194.46, 0.00396102/step, 0.236121 hours remaining, 114.808594 MB of memory in use. ENERGY: 2285400 640.1210 1843.9860 1955.6192 129.9436 1.2682 -1086.2527 0.0000 0.0000 2709.1100 6193.7953 299.2287 3484.6853 6226.4957 298.2748 PRESSURE: 2285600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2285600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2285600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2285600 0 0 0 0 0 0 0 0 0 TIMING: 2285600 CPU: 9195.25, 0.00396297/step Wall: 9195.25, 0.00396297/step, 0.236017 hours remaining, 114.808594 MB of memory in use. ENERGY: 2285600 673.0854 1916.8170 1957.2341 115.5896 1.7237 -1101.6485 0.0000 0.0000 2654.6458 6217.4470 293.2130 3562.8013 6248.1487 301.0665 PRESSURE: 2285800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2285800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2285800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2285800 0 0 0 0 0 0 0 0 0 TIMING: 2285800 CPU: 9196.04, 0.00395502/step Wall: 9196.04, 0.00395502/step, 0.235324 hours remaining, 114.808594 MB of memory in use. ENERGY: 2285800 637.2934 1811.7329 1972.0628 119.6172 2.4118 -1078.6033 0.0000 0.0000 2683.2432 6147.7579 296.3717 3464.5147 6181.7569 299.7381 PRESSURE: 2286000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2286000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2286000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2286000 0 0 0 0 0 0 0 0 0 TIMING: 2286000 CPU: 9196.84, 0.00395339/step Wall: 9196.84, 0.00395339/step, 0.235007 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2286000 611.7646 1867.3468 1975.1791 121.9393 1.5288 -1078.2133 0.0000 0.0000 2633.7621 6133.3073 290.9064 3499.5453 6165.3690 296.2922 PRESSURE: 2286200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2286200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2286200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2286200 0 0 0 0 0 0 0 0 0 TIMING: 2286200 CPU: 9197.63, 0.00395528/step Wall: 9197.63, 0.00395528/step, 0.2349 hours remaining, 114.808594 MB of memory in use. ENERGY: 2286200 673.0071 1854.8411 1949.9760 110.7146 2.3282 -1091.5805 0.0000 0.0000 2694.6426 6193.9294 297.6308 3499.2867 6224.9234 297.8857 PRESSURE: 2286400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2286400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2286400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2286400 0 0 0 0 0 0 0 0 0 TIMING: 2286400 CPU: 9198.42, 0.00395513/step Wall: 9198.42, 0.00395513/step, 0.234671 hours remaining, 114.808594 MB of memory in use. ENERGY: 2286400 653.6568 1812.0859 1950.4359 117.2402 1.0664 -1090.5242 0.0000 0.0000 2722.7241 6166.6851 300.7325 3443.9610 6200.6200 298.5161 PRESSURE: 2286600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2286600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2286600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2286600 0 0 0 0 0 0 0 0 0 TIMING: 2286600 CPU: 9199.21, 0.00395965/step Wall: 9199.21, 0.00395965/step, 0.234719 hours remaining, 114.808594 MB of memory in use. ENERGY: 2286600 669.9069 1835.5959 1975.9722 121.1479 0.4586 -1067.6770 0.0000 0.0000 2679.9720 6215.3764 296.0104 3535.4044 6247.4048 298.7951 PRESSURE: 2286800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2286800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2286800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2286800 0 0 0 0 0 0 0 0 0 TIMING: 2286800 CPU: 9200, 0.00395193/step Wall: 9200, 0.00395193/step, 0.234042 hours remaining, 114.808594 MB of memory in use. ENERGY: 2286800 672.1050 1897.7093 1938.2616 102.1440 0.9130 -1091.4500 0.0000 0.0000 2727.9197 6247.6026 301.3063 3519.6829 6278.9873 301.4027 PRESSURE: 2287000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2287000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2287000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2287000 0 0 0 0 0 0 0 0 0 TIMING: 2287000 CPU: 9200.79, 0.00395283/step Wall: 9200.79, 0.00395283/step, 0.233876 hours remaining, 114.808594 MB of memory in use. ENERGY: 2287000 655.1568 1867.7730 1962.2436 109.7443 0.5899 -1079.6960 0.0000 0.0000 2721.2601 6237.0718 300.5708 3515.8117 6269.3227 302.1157 PRESSURE: 2287200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2287200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2287200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2287200 0 0 0 0 0 0 0 0 0 TIMING: 2287200 CPU: 9201.58, 0.00395642/step Wall: 9201.58, 0.00395642/step, 0.233868 hours remaining, 114.808594 MB of memory in use. ENERGY: 2287200 672.8595 1864.3236 1965.5692 113.5925 0.7007 -1095.7474 0.0000 0.0000 2754.8366 6276.1347 304.2794 3521.2981 6308.9941 302.4475 PRESSURE: 2287400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2287400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2287400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2287400 0 0 0 0 0 0 0 0 0 TIMING: 2287400 CPU: 9202.37, 0.0039624/step Wall: 9202.37, 0.0039624/step, 0.234002 hours remaining, 114.808594 MB of memory in use. ENERGY: 2287400 685.8813 1836.0567 1952.6822 101.8857 0.2195 -1095.2197 0.0000 0.0000 2749.4771 6230.9829 303.6874 3481.5058 6264.9069 304.0404 PRESSURE: 2287600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2287600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2287600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2287600 0 0 0 0 0 0 0 0 0 TIMING: 2287600 CPU: 9203.17, 0.00395791/step Wall: 9203.17, 0.00395791/step, 0.233517 hours remaining, 114.808594 MB of memory in use. ENERGY: 2287600 666.9565 1848.2888 1936.0489 113.8874 -0.0588 -1070.0770 0.0000 0.0000 2697.5105 6192.5563 297.9475 3495.0458 6226.0148 300.9115 PRESSURE: 2287800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2287800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2287800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2287800 0 0 0 0 0 0 0 0 0 TIMING: 2287800 CPU: 9203.96, 0.00396381/step Wall: 9203.96, 0.00396381/step, 0.233645 hours remaining, 114.808594 MB of memory in use. ENERGY: 2287800 660.3504 1873.3616 1966.5589 105.0574 1.5856 -1108.4587 0.0000 0.0000 2736.3455 6234.8007 302.2370 3498.4551 6265.7855 300.8534 PRESSURE: 2288000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2288000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2288000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2288000 0 0 0 0 0 0 0 0 0 TIMING: 2288000 CPU: 9204.75, 0.00395644/step Wall: 9204.75, 0.00395644/step, 0.23299 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2288000 628.0330 1856.5590 1942.0161 102.8903 1.0735 -1059.9673 0.0000 0.0000 2742.1864 6212.7909 302.8821 3470.6046 6245.3578 300.8960 PRESSURE: 2288200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2288200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2288200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2288200 0 0 0 0 0 0 0 0 0 TIMING: 2288200 CPU: 9205.54, 0.00396284/step Wall: 9205.54, 0.00396284/step, 0.233147 hours remaining, 114.808594 MB of memory in use. ENERGY: 2288200 654.0815 1895.5996 1973.2300 97.3220 1.6297 -1088.9944 0.0000 0.0000 2702.2683 6235.1366 298.4731 3532.8683 6265.2875 302.0222 LDB: ============= START OF LOAD BALANCING ============== 9208.5 LDB: ============== END OF LOAD BALANCING =============== 9208.5 LDB: =============== DONE WITH MIGRATION ================ 9208.5 LDB: ============= START OF LOAD BALANCING ============== 9208.9 LDB: ============== END OF LOAD BALANCING =============== 9208.9 LDB: =============== DONE WITH MIGRATION ================ 9208.9 PRESSURE: 2288400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2288400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2288400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2288400 0 0 0 0 0 0 0 0 0 TIMING: 2288400 CPU: 9206.33, 0.00396309/step Wall: 9206.33, 0.00396309/step, 0.232942 hours remaining, 114.808594 MB of memory in use. ENERGY: 2288400 664.4612 1911.5991 1952.9099 117.8028 1.3957 -1102.5404 0.0000 0.0000 2693.8574 6239.4858 297.5441 3545.6284 6272.2110 301.5347 PRESSURE: 2288600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2288600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2288600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2288600 0 0 0 0 0 0 0 0 0 TIMING: 2288600 CPU: 9207.13, 0.00395475/step Wall: 9207.13, 0.00395475/step, 0.232232 hours remaining, 114.808594 MB of memory in use. ENERGY: 2288600 644.4581 1913.2136 1939.5496 115.3587 2.2157 -1077.1941 0.0000 0.0000 2789.8717 6327.4732 308.1491 3537.6015 6360.5443 303.9254 PRESSURE: 2288800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2288800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2288800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2288800 0 0 0 0 0 0 0 0 0 TIMING: 2288800 CPU: 9207.92, 0.00394779/step Wall: 9207.92, 0.00394779/step, 0.231603 hours remaining, 114.808594 MB of memory in use. ENERGY: 2288800 702.8779 1876.5340 1966.4395 105.2841 2.6216 -1060.3176 0.0000 0.0000 2778.0119 6371.4514 306.8392 3593.4395 6404.6675 306.9415 PRESSURE: 2289000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2289000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2289000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2289000 0 0 0 0 0 0 0 0 0 TIMING: 2289000 CPU: 9208.71, 0.00395271/step Wall: 9208.71, 0.0039527/step, 0.231672 hours remaining, 114.808594 MB of memory in use. ENERGY: 2289000 681.5522 1897.1028 1966.9671 103.3044 0.1639 -1055.0382 0.0000 0.0000 2815.8469 6409.8992 311.0181 3594.0523 6445.4540 308.9476 PRESSURE: 2289200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2289200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2289200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2289200 0 0 0 0 0 0 0 0 0 TIMING: 2289200 CPU: 9209.5, 0.00395393/step Wall: 9209.5, 0.00395393/step, 0.231525 hours remaining, 114.808594 MB of memory in use. ENERGY: 2289200 672.2251 1915.4777 1983.4064 110.9154 0.3578 -1076.0760 0.0000 0.0000 2855.5481 6461.8544 315.4032 3606.3063 6495.4146 313.8005 PRESSURE: 2289400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2289400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2289400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2289400 0 0 0 0 0 0 0 0 0 TIMING: 2289400 CPU: 9210.29, 0.00395573/step Wall: 9210.29, 0.00395573/step, 0.23141 hours remaining, 114.808594 MB of memory in use. ENERGY: 2289400 651.4865 1910.4265 1948.2287 108.4961 0.2768 -1062.6942 0.0000 0.0000 2854.9850 6411.2055 315.3410 3556.2205 6447.9694 313.0671 PRESSURE: 2289600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2289600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2289600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2289600 0 0 0 0 0 0 0 0 0 TIMING: 2289600 CPU: 9211.08, 0.00395106/step Wall: 9211.08, 0.00395106/step, 0.230918 hours remaining, 114.808594 MB of memory in use. ENERGY: 2289600 661.1281 1941.6271 2003.6880 106.5236 0.1231 -1062.3508 0.0000 0.0000 2766.9551 6417.6940 305.6179 3650.7389 6450.1086 310.7658 PRESSURE: 2289800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2289800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2289800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2289800 0 0 0 0 0 0 0 0 0 TIMING: 2289800 CPU: 9211.87, 0.00395118/step Wall: 9211.87, 0.00395118/step, 0.230705 hours remaining, 114.808594 MB of memory in use. ENERGY: 2289800 682.2150 1829.8599 1988.7844 105.2890 1.3302 -1057.2659 0.0000 0.0000 2823.4599 6373.6725 311.8590 3550.2126 6406.8841 310.9081 PRESSURE: 2290000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2290000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2290000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2290000 0 0 0 0 0 0 0 0 0 TIMING: 2290000 CPU: 9212.66, 0.00395744/step Wall: 9212.66, 0.00395744/step, 0.230851 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2290000 672.6114 1910.4431 1980.6472 99.2836 1.6616 -1094.1654 0.0000 0.0000 2747.1517 6317.6332 303.4306 3570.4815 6351.2225 308.2296 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2290000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2290000 WRITING COORDINATES TO RESTART FILE AT STEP 2290000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2290000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2290200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2290200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2290200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2290200 0 0 0 0 0 0 0 0 0 TIMING: 2290200 CPU: 9214.1, 0.00719779/step Wall: 9214.1, 0.00719779/step, 0.419471 hours remaining, 114.808594 MB of memory in use. ENERGY: 2290200 647.1883 1866.8500 1956.1455 117.1573 1.1203 -1076.4692 0.0000 0.0000 2743.0312 6255.0235 302.9754 3511.9923 6289.3556 304.6429 PRESSURE: 2290400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2290400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2290400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2290400 0 0 0 0 0 0 0 0 0 TIMING: 2290400 CPU: 9214.89, 0.00394673/step Wall: 9214.89, 0.00394673/step, 0.229788 hours remaining, 114.808594 MB of memory in use. ENERGY: 2290400 680.5927 1815.5516 1976.2575 107.1360 0.9114 -1067.6211 0.0000 0.0000 2757.1119 6269.9399 304.5307 3512.8280 6302.5343 301.5864 PRESSURE: 2290600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2290600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2290600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2290600 0 0 0 0 0 0 0 0 0 TIMING: 2290600 CPU: 9215.68, 0.00395368/step Wall: 9215.68, 0.00395367/step, 0.229972 hours remaining, 114.808594 MB of memory in use. ENERGY: 2290600 708.4580 1798.3091 1971.5589 108.7414 1.5763 -1078.9791 0.0000 0.0000 2806.7540 6316.4186 310.0138 3509.6645 6350.3947 305.1347 PRESSURE: 2290800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2290800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2290800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2290800 0 0 0 0 0 0 0 0 0 TIMING: 2290800 CPU: 9216.47, 0.00395267/step Wall: 9216.47, 0.00395267/step, 0.229694 hours remaining, 114.808594 MB of memory in use. ENERGY: 2290800 634.4783 1839.3665 1979.1213 106.7860 1.3805 -1043.2105 0.0000 0.0000 2794.2088 6312.1308 308.6281 3517.9221 6348.1102 305.4367 PRESSURE: 2291000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2291000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2291000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2291000 0 0 0 0 0 0 0 0 0 TIMING: 2291000 CPU: 9217.26, 0.0039522/step Wall: 9217.26, 0.0039522/step, 0.229447 hours remaining, 114.808594 MB of memory in use. ENERGY: 2291000 656.1640 1937.4492 1961.8449 97.2629 1.3266 -1043.8775 0.0000 0.0000 2777.0706 6387.2406 306.7352 3610.1701 6419.1324 305.8106 PRESSURE: 2291200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2291200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2291200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2291200 0 0 0 0 0 0 0 0 0 TIMING: 2291200 CPU: 9218.05, 0.00394697/step Wall: 9218.05, 0.00394697/step, 0.228924 hours remaining, 114.808594 MB of memory in use. ENERGY: 2291200 646.6100 1892.6083 1977.9845 112.6653 1.3416 -1089.7310 0.0000 0.0000 2799.1838 6340.6625 309.1776 3541.4787 6375.9015 310.0759 PRESSURE: 2291400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2291400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2291400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2291400 0 0 0 0 0 0 0 0 0 TIMING: 2291400 CPU: 9218.84, 0.00395969/step Wall: 9218.84, 0.00395969/step, 0.229442 hours remaining, 114.808594 MB of memory in use. ENERGY: 2291400 664.2191 1840.9727 1951.1789 106.6681 1.6479 -1095.1143 0.0000 0.0000 2826.7420 6296.3144 312.2215 3469.5723 6333.3113 306.1217 PRESSURE: 2291600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2291600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2291600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2291600 0 0 0 0 0 0 0 0 0 TIMING: 2291600 CPU: 9219.63, 0.00395238/step Wall: 9219.63, 0.00395238/step, 0.228799 hours remaining, 114.808594 MB of memory in use. ENERGY: 2291600 677.1890 1883.2537 1959.2155 104.1358 0.5902 -1114.2619 0.0000 0.0000 2831.9493 6342.0717 312.7967 3510.1224 6375.9695 307.3172 PRESSURE: 2291800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2291800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2291800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2291800 0 0 0 0 0 0 0 0 0 TIMING: 2291800 CPU: 9220.42, 0.00395304/step Wall: 9220.42, 0.00395304/step, 0.228618 hours remaining, 114.808594 MB of memory in use. ENERGY: 2291800 647.2257 1858.2729 1996.7548 118.0968 0.8757 -1097.2842 0.0000 0.0000 2798.7552 6322.6969 309.1303 3523.9417 6356.6326 306.4236 PRESSURE: 2292000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2292000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2292000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2292000 0 0 0 0 0 0 0 0 0 TIMING: 2292000 CPU: 9221.21, 0.0039531/step Wall: 9221.21, 0.0039531/step, 0.228401 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2292000 652.7537 1888.9142 1976.2303 105.6916 0.9672 -1091.3206 0.0000 0.0000 2731.0593 6264.2956 301.6531 3533.2363 6298.2295 304.0013 PRESSURE: 2292200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2292200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2292200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2292200 0 0 0 0 0 0 0 0 0 TIMING: 2292200 CPU: 9222, 0.0039468/step Wall: 9222, 0.0039468/step, 0.227818 hours remaining, 114.808594 MB of memory in use. ENERGY: 2292200 651.7515 1878.9139 1964.1894 122.7818 0.5804 -1107.7481 0.0000 0.0000 2729.8546 6240.3234 301.5200 3510.4688 6273.1177 301.1238 LDB: ============= START OF LOAD BALANCING ============== 9224.96 LDB: ============== END OF LOAD BALANCING =============== 9224.96 LDB: =============== DONE WITH MIGRATION ================ 9224.96 LDB: ============= START OF LOAD BALANCING ============== 9225.36 LDB: ============== END OF LOAD BALANCING =============== 9225.36 LDB: =============== DONE WITH MIGRATION ================ 9225.36 PRESSURE: 2292400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2292400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2292400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2292400 0 0 0 0 0 0 0 0 0 TIMING: 2292400 CPU: 9222.79, 0.00395666/step Wall: 9222.79, 0.00395666/step, 0.228167 hours remaining, 114.808594 MB of memory in use. ENERGY: 2292400 694.1432 1845.4803 1958.5468 106.2624 0.2789 -1090.9713 0.0000 0.0000 2683.9909 6197.7312 296.4543 3513.7403 6229.0785 301.7741 PRESSURE: 2292600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2292600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2292600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2292600 0 0 0 0 0 0 0 0 0 TIMING: 2292600 CPU: 9223.59, 0.00395908/step Wall: 9223.59, 0.00395908/step, 0.228087 hours remaining, 114.808594 MB of memory in use. ENERGY: 2292600 651.5215 1805.4469 1959.6011 108.7536 -0.3945 -1069.5341 0.0000 0.0000 2674.4274 6129.8219 295.3980 3455.3945 6159.6423 296.4301 PRESSURE: 2292800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2292800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2292800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2292800 0 0 0 0 0 0 0 0 0 TIMING: 2292800 CPU: 9224.38, 0.00395229/step Wall: 9224.38, 0.00395229/step, 0.227476 hours remaining, 114.808594 MB of memory in use. ENERGY: 2292800 678.1756 1825.0084 1920.7450 107.3733 -0.3293 -1084.8334 0.0000 0.0000 2721.6873 6167.8270 300.6179 3446.1396 6202.5655 295.8471 PRESSURE: 2293000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2293000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2293000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2293000 0 0 0 0 0 0 0 0 0 TIMING: 2293000 CPU: 9225.17, 0.00395241/step Wall: 9225.17, 0.00395241/step, 0.227264 hours remaining, 114.808594 MB of memory in use. ENERGY: 2293000 632.0572 1811.1764 1945.4687 111.2080 0.0475 -1067.9919 0.0000 0.0000 2751.9347 6183.9006 303.9588 3431.9659 6217.5658 298.8149 PRESSURE: 2293200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2293200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2293200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2293200 0 0 0 0 0 0 0 0 0 TIMING: 2293200 CPU: 9225.96, 0.0039532/step Wall: 9225.96, 0.0039532/step, 0.227089 hours remaining, 114.808594 MB of memory in use. ENERGY: 2293200 595.9798 1865.8181 1979.4846 116.9414 -0.0474 -1096.8667 0.0000 0.0000 2666.7568 6128.0667 294.5507 3461.3098 6159.3483 297.2146 PRESSURE: 2293400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2293400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2293400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2293400 0 0 0 0 0 0 0 0 0 TIMING: 2293400 CPU: 9226.75, 0.00395612/step Wall: 9226.75, 0.00395612/step, 0.227037 hours remaining, 114.808594 MB of memory in use. ENERGY: 2293400 649.9632 1831.3971 1976.0191 102.0873 1.1768 -1095.4825 0.0000 0.0000 2691.5035 6156.6645 297.2841 3465.1610 6187.9542 297.7519 PRESSURE: 2293600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2293600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2293600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2293600 0 0 0 0 0 0 0 0 0 TIMING: 2293600 CPU: 9227.54, 0.00395223/step Wall: 9227.54, 0.00395223/step, 0.226595 hours remaining, 114.808594 MB of memory in use. ENERGY: 2293600 646.8300 1782.4189 1949.8911 112.3166 0.0725 -1099.0111 0.0000 0.0000 2780.7456 6173.2637 307.1411 3392.5181 6208.9261 297.8516 PRESSURE: 2293800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2293800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2293800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2293800 0 0 0 0 0 0 0 0 0 TIMING: 2293800 CPU: 9228.33, 0.00395257/step Wall: 9228.33, 0.00395257/step, 0.226394 hours remaining, 114.808594 MB of memory in use. ENERGY: 2293800 681.5014 1838.5550 1996.3288 101.9372 0.0923 -1135.9366 0.0000 0.0000 2707.0476 6189.5257 299.0009 3482.4782 6221.7711 300.2513 PRESSURE: 2294000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2294000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2294000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2294000 0 0 0 0 0 0 0 0 0 TIMING: 2294000 CPU: 9229.12, 0.00396112/step Wall: 9229.12, 0.00396112/step, 0.226664 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2294000 644.8719 1801.4285 1978.8956 111.3070 1.0843 -1041.4068 0.0000 0.0000 2705.9205 6202.1010 298.8765 3496.1805 6235.4882 300.6828 PRESSURE: 2294200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2294200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2294200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2294200 0 0 0 0 0 0 0 0 0 TIMING: 2294200 CPU: 9229.91, 0.00396056/step Wall: 9229.91, 0.00396056/step, 0.226412 hours remaining, 114.808594 MB of memory in use. ENERGY: 2294200 641.9201 1812.8026 1960.0214 112.8360 2.0281 -1058.5363 0.0000 0.0000 2674.9682 6146.0402 295.4577 3471.0719 6179.2439 298.5796 PRESSURE: 2294400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2294400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2294400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2294400 0 0 0 0 0 0 0 0 0 TIMING: 2294400 CPU: 9230.7, 0.00395144/step Wall: 9230.7, 0.00395144/step, 0.225671 hours remaining, 114.808594 MB of memory in use. ENERGY: 2294400 668.0540 1861.1488 1967.3104 112.8210 1.7279 -1119.7191 0.0000 0.0000 2692.3573 6183.7004 297.3784 3491.3431 6216.1696 297.2912 PRESSURE: 2294600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2294600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2294600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2294600 0 0 0 0 0 0 0 0 0 TIMING: 2294600 CPU: 9231.49, 0.00395177/step Wall: 9231.49, 0.00395177/step, 0.22547 hours remaining, 114.808594 MB of memory in use. ENERGY: 2294600 610.8929 1837.4051 1965.4225 102.4104 1.0387 -1112.4759 0.0000 0.0000 2680.5070 6085.2007 296.0695 3404.6937 6117.7750 297.1150 PRESSURE: 2294800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2294800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2294800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2294800 0 0 0 0 0 0 0 0 0 TIMING: 2294800 CPU: 9232.28, 0.00395133/step Wall: 9232.28, 0.00395133/step, 0.225226 hours remaining, 114.808594 MB of memory in use. ENERGY: 2294800 650.2204 1874.0440 1938.1894 102.0960 1.1723 -1091.0040 0.0000 0.0000 2658.7331 6133.4512 293.6645 3474.7181 6162.6638 293.8303 PRESSURE: 2295000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2295000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2295000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2295000 0 0 0 0 0 0 0 0 0 TIMING: 2295000 CPU: 9233.07, 0.00394646/step Wall: 9233.07, 0.00394646/step, 0.224729 hours remaining, 114.808594 MB of memory in use. ENERGY: 2295000 632.5931 1857.4129 1941.1572 104.0376 1.9117 -1069.8073 0.0000 0.0000 2660.3344 6127.6396 293.8413 3467.3052 6159.9407 295.5077 PRESSURE: 2295200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2295200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2295200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2295200 0 0 0 0 0 0 0 0 0 TIMING: 2295200 CPU: 9233.86, 0.00395259/step Wall: 9233.86, 0.00395259/step, 0.224858 hours remaining, 114.808594 MB of memory in use. ENERGY: 2295200 696.1690 1837.4075 1940.3009 107.5308 1.5962 -1080.6652 0.0000 0.0000 2664.1166 6166.4558 294.2591 3502.3393 6194.4341 297.4785 PRESSURE: 2295400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2295400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2295400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2295400 0 0 0 0 0 0 0 0 0 TIMING: 2295400 CPU: 9234.66, 0.00395628/step Wall: 9234.66, 0.00395628/step, 0.224849 hours remaining, 114.808594 MB of memory in use. ENERGY: 2295400 675.9010 1819.2877 1943.6857 106.4484 2.6502 -1073.7175 0.0000 0.0000 2721.9430 6196.1985 300.6462 3474.2555 6227.4058 298.7848 PRESSURE: 2295600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2295600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2295600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2295600 0 0 0 0 0 0 0 0 0 TIMING: 2295600 CPU: 9235.45, 0.00395308/step Wall: 9235.45, 0.00395308/step, 0.224447 hours remaining, 114.808594 MB of memory in use. ENERGY: 2295600 656.3092 1819.2851 1953.8017 106.6199 0.8254 -1085.6924 0.0000 0.0000 2696.6093 6147.7583 297.8480 3451.1489 6182.3066 297.2677 PRESSURE: 2295800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2295800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2295800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2295800 0 0 0 0 0 0 0 0 0 TIMING: 2295800 CPU: 9236.24, 0.00395141/step Wall: 9236.24, 0.00395141/step, 0.224133 hours remaining, 114.808594 MB of memory in use. ENERGY: 2295800 644.4915 1789.9951 1956.7810 110.0281 0.0416 -1070.0340 0.0000 0.0000 2695.3512 6126.6545 297.7090 3431.3033 6158.6541 296.9645 PRESSURE: 2296000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2296000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2296000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2296000 0 0 0 0 0 0 0 0 0 TIMING: 2296000 CPU: 9237.03, 0.00394672/step Wall: 9237.03, 0.00394672/step, 0.223647 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2296000 611.5308 1872.0201 1937.0750 113.8880 0.8086 -1072.5034 0.0000 0.0000 2663.2062 6126.0253 294.1585 3462.8191 6159.8441 295.6328 PRESSURE: 2296200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2296200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2296200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2296200 0 0 0 0 0 0 0 0 0 TIMING: 2296200 CPU: 9237.82, 0.00395151/step Wall: 9237.82, 0.00395151/step, 0.2237 hours remaining, 114.808594 MB of memory in use. ENERGY: 2296200 639.2299 1815.5837 1921.3977 102.5802 1.3331 -1083.7771 0.0000 0.0000 2779.2335 6175.5810 306.9741 3396.3474 6209.9628 297.8813 LDB: ============= START OF LOAD BALANCING ============== 9240.78 LDB: ============== END OF LOAD BALANCING =============== 9240.78 LDB: =============== DONE WITH MIGRATION ================ 9240.78 LDB: ============= START OF LOAD BALANCING ============== 9241.17 LDB: ============== END OF LOAD BALANCING =============== 9241.17 LDB: =============== DONE WITH MIGRATION ================ 9241.17 PRESSURE: 2296400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2296400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2296400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2296400 0 0 0 0 0 0 0 0 0 TIMING: 2296400 CPU: 9238.61, 0.00396241/step Wall: 9238.61, 0.00396241/step, 0.224096 hours remaining, 114.808594 MB of memory in use. ENERGY: 2296400 662.4276 1889.1446 1936.5209 101.2940 1.9748 -1059.8855 0.0000 0.0000 2663.0766 6194.5530 294.1442 3531.4764 6224.3717 299.3394 PRESSURE: 2296600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2296600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2296600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2296600 0 0 0 0 0 0 0 0 0 TIMING: 2296600 CPU: 9239.4, 0.00396973/step Wall: 9239.4, 0.00396973/step, 0.22429 hours remaining, 114.808594 MB of memory in use. ENERGY: 2296600 630.8519 1836.2313 1947.9931 125.5984 -0.8276 -1062.0162 0.0000 0.0000 2724.4391 6202.2699 300.9219 3477.8309 6236.4792 300.2989 PRESSURE: 2296800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2296800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2296800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2296800 0 0 0 0 0 0 0 0 0 TIMING: 2296800 CPU: 9240.19, 0.00395594/step Wall: 9240.19, 0.00395594/step, 0.223291 hours remaining, 114.808594 MB of memory in use. ENERGY: 2296800 644.2670 1885.6227 1946.7243 103.6141 1.9326 -1058.3370 0.0000 0.0000 2717.3145 6241.1380 300.1350 3523.8236 6272.4830 300.0901 PRESSURE: 2297000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2297000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2297000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2297000 0 0 0 0 0 0 0 0 0 TIMING: 2297000 CPU: 9240.98, 0.00395181/step Wall: 9240.98, 0.00395181/step, 0.222838 hours remaining, 114.808594 MB of memory in use. ENERGY: 2297000 605.4668 1906.4973 1936.2332 102.9703 0.6281 -1065.1308 0.0000 0.0000 2728.8947 6215.5597 301.4140 3486.6649 6247.9171 301.0825 PRESSURE: 2297200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2297200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2297200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2297200 0 0 0 0 0 0 0 0 0 TIMING: 2297200 CPU: 9241.78, 0.00396076/step Wall: 9241.78, 0.00396076/step, 0.223123 hours remaining, 114.808594 MB of memory in use. ENERGY: 2297200 671.7845 1916.2811 1962.4487 113.3965 0.7043 -1078.4276 0.0000 0.0000 2680.0274 6266.2149 296.0165 3586.1875 6293.7070 301.6819 PRESSURE: 2297400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2297400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2297400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2297400 0 0 0 0 0 0 0 0 0 TIMING: 2297400 CPU: 9242.57, 0.00395834/step Wall: 9242.57, 0.00395834/step, 0.222767 hours remaining, 114.808594 MB of memory in use. ENERGY: 2297400 640.7964 1874.1179 1959.6152 102.0144 0.6858 -1073.8678 0.0000 0.0000 2747.8064 6251.1684 303.5029 3503.3619 6286.0047 302.6136 PRESSURE: 2297600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2297600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2297600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2297600 0 0 0 0 0 0 0 0 0 TIMING: 2297600 CPU: 9243.36, 0.00395836/step Wall: 9243.36, 0.00395836/step, 0.222548 hours remaining, 114.808594 MB of memory in use. ENERGY: 2297600 680.8519 1880.6324 1951.1903 103.1811 -0.2918 -1081.0428 0.0000 0.0000 2716.5938 6251.1149 300.0554 3534.5211 6281.5602 302.6615 PRESSURE: 2297800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2297800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2297800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2297800 0 0 0 0 0 0 0 0 0 TIMING: 2297800 CPU: 9244.15, 0.0039602/step Wall: 9244.15, 0.0039602/step, 0.222431 hours remaining, 114.808594 MB of memory in use. ENERGY: 2297800 667.3680 1872.5804 1958.9826 110.1116 0.3144 -1065.8995 0.0000 0.0000 2690.2930 6233.7504 297.1504 3543.4575 6265.0117 301.6278 PRESSURE: 2298000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2298000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2298000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2298000 0 0 0 0 0 0 0 0 0 TIMING: 2298000 CPU: 9244.94, 0.0039652/step Wall: 9244.94, 0.0039652/step, 0.222492 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2298000 653.7327 1829.1111 1961.2792 106.0580 0.4017 -1078.1596 0.0000 0.0000 2734.2641 6206.6872 302.0071 3472.4230 6240.6634 301.0157 PRESSURE: 2298200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2298200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2298200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2298200 0 0 0 0 0 0 0 0 0 TIMING: 2298200 CPU: 9245.74, 0.00397077/step Wall: 9245.74, 0.00397077/step, 0.222584 hours remaining, 114.808594 MB of memory in use. ENERGY: 2298200 634.1892 1835.8975 1963.5288 101.2246 -0.3045 -1088.9974 0.0000 0.0000 2685.6655 6131.2037 296.6392 3445.5382 6164.3539 296.7106 PRESSURE: 2298400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2298400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2298400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2298400 0 0 0 0 0 0 0 0 0 TIMING: 2298400 CPU: 9246.53, 0.00396912/step Wall: 9246.53, 0.00396912/step, 0.22227 hours remaining, 114.808594 MB of memory in use. ENERGY: 2298400 649.6866 1856.3675 1945.1848 107.9619 0.0400 -1083.7878 0.0000 0.0000 2673.7719 6149.2250 295.3256 3475.4530 6179.3172 295.8601 PRESSURE: 2298600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2298600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2298600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2298600 0 0 0 0 0 0 0 0 0 TIMING: 2298600 CPU: 9247.32, 0.0039607/step Wall: 9247.32, 0.0039607/step, 0.221579 hours remaining, 114.808594 MB of memory in use. ENERGY: 2298600 645.8866 1851.2384 1960.9067 92.7899 0.6341 -1120.1739 0.0000 0.0000 2717.6957 6148.9774 300.1771 3431.2817 6184.3200 296.7077 PRESSURE: 2298800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2298800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2298800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2298800 0 0 0 0 0 0 0 0 0 TIMING: 2298800 CPU: 9248.12, 0.00396146/step Wall: 9248.12, 0.00396146/step, 0.221401 hours remaining, 114.808594 MB of memory in use. ENERGY: 2298800 653.6605 1833.9393 1948.7809 112.0917 0.1297 -1132.9536 0.0000 0.0000 2715.6484 6131.2970 299.9509 3415.6486 6167.8864 296.6816 PRESSURE: 2299000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2299000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2299000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2299000 0 0 0 0 0 0 0 0 0 TIMING: 2299000 CPU: 9248.91, 0.00396839/step Wall: 9248.91, 0.00396839/step, 0.221568 hours remaining, 114.808594 MB of memory in use. ENERGY: 2299000 651.1020 1831.6180 1947.5428 103.8564 0.3640 -1106.7597 0.0000 0.0000 2725.4222 6153.1457 301.0305 3427.7235 6187.8073 297.6854 PRESSURE: 2299200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2299200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2299200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2299200 0 0 0 0 0 0 0 0 0 TIMING: 2299200 CPU: 9249.7, 0.00396985/step Wall: 9249.7, 0.00396985/step, 0.221429 hours remaining, 114.808594 MB of memory in use. ENERGY: 2299200 629.6549 1848.9079 1964.9493 99.7070 0.4898 -1094.6404 0.0000 0.0000 2626.9908 6076.0594 290.1585 3449.0686 6109.8455 295.1192 PRESSURE: 2299400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2299400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2299400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2299400 0 0 0 0 0 0 0 0 0 TIMING: 2299400 CPU: 9250.5, 0.00396969/step Wall: 9250.5, 0.00396969/step, 0.2212 hours remaining, 114.808594 MB of memory in use. ENERGY: 2299400 617.9094 1819.8170 1981.6815 104.9395 0.0448 -1082.5137 0.0000 0.0000 2654.6524 6096.5309 293.2137 3441.8785 6129.0221 293.5373 PRESSURE: 2299600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2299600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2299600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2299600 0 0 0 0 0 0 0 0 0 TIMING: 2299600 CPU: 9251.29, 0.00396461/step Wall: 9251.29, 0.00396461/step, 0.220697 hours remaining, 114.808594 MB of memory in use. ENERGY: 2299600 605.9118 1777.4285 1970.6533 106.2924 -1.2941 -1090.8057 0.0000 0.0000 2739.1297 6107.3157 302.5445 3368.1860 6144.3791 294.4419 PRESSURE: 2299800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2299800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2299800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2299800 0 0 0 0 0 0 0 0 0 TIMING: 2299800 CPU: 9252.08, 0.00395105/step Wall: 9252.08, 0.00395105/step, 0.219722 hours remaining, 114.808594 MB of memory in use. ENERGY: 2299800 627.3084 1827.4021 1972.5835 109.6909 0.5201 -1070.3681 0.0000 0.0000 2628.8148 6095.9516 290.3599 3467.1368 6128.4567 293.5095 PRESSURE: 2300000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2300000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2300000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2300000 0 0 0 0 0 0 0 0 0 TIMING: 2300000 CPU: 9252.88, 0.00396583/step Wall: 9252.88, 0.00396583/step, 0.220324 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2300000 647.2593 1845.6078 1972.6718 98.4505 -0.3289 -1078.4883 0.0000 0.0000 2626.3960 6111.5681 290.0928 3485.1722 6143.9730 292.4263 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2300200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2300200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2300200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2300200 0 0 0 0 0 0 0 0 0 TIMING: 2300200 CPU: 9253.73, 0.00429025/step Wall: 9253.73, 0.00429025/step, 0.238109 hours remaining, 114.808594 MB of memory in use. ENERGY: 2300200 652.6475 1849.8905 1953.4220 100.8937 -0.2484 -1090.4580 0.0000 0.0000 2672.6480 6138.7954 295.2014 3466.1474 6172.4883 295.5853 LDB: ============= START OF LOAD BALANCING ============== 9256.69 LDB: ============== END OF LOAD BALANCING =============== 9256.69 LDB: =============== DONE WITH MIGRATION ================ 9256.69 LDB: ============= START OF LOAD BALANCING ============== 9257.09 LDB: ============== END OF LOAD BALANCING =============== 9257.09 LDB: =============== DONE WITH MIGRATION ================ 9257.09 PRESSURE: 2300400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2300400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2300400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2300400 0 0 0 0 0 0 0 0 0 TIMING: 2300400 CPU: 9254.52, 0.00395841/step Wall: 9254.52, 0.00395841/step, 0.219472 hours remaining, 114.808594 MB of memory in use. ENERGY: 2300400 637.6984 1832.9466 1948.4808 104.9491 -0.6453 -1092.9971 0.0000 0.0000 2694.1749 6124.6073 297.5791 3430.4325 6157.4572 295.1869 PRESSURE: 2300600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2300600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2300600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2300600 0 0 0 0 0 0 0 0 0 TIMING: 2300600 CPU: 9255.32, 0.00396875/step Wall: 9255.32, 0.00396875/step, 0.219824 hours remaining, 114.808594 MB of memory in use. ENERGY: 2300600 633.2157 1915.1948 1936.6687 104.6631 0.2864 -1101.9641 0.0000 0.0000 2657.9493 6146.0139 293.5779 3488.0646 6177.7653 296.0901 PRESSURE: 2300800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2300800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2300800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2300800 0 0 0 0 0 0 0 0 0 TIMING: 2300800 CPU: 9256.11, 0.00395514/step Wall: 9256.11, 0.00395514/step, 0.218851 hours remaining, 114.808594 MB of memory in use. ENERGY: 2300800 647.0177 1833.7171 1948.6589 111.6618 -0.8946 -1088.5375 0.0000 0.0000 2691.2315 6142.8549 297.2540 3451.6234 6175.9188 298.1525 PRESSURE: 2301000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2301000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2301000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2301000 0 0 0 0 0 0 0 0 0 TIMING: 2301000 CPU: 9256.9, 0.00396114/step Wall: 9256.9, 0.00396114/step, 0.218963 hours remaining, 114.808594 MB of memory in use. ENERGY: 2301000 662.1130 1858.0377 1961.3712 113.4267 -0.6989 -1095.8953 0.0000 0.0000 2633.9591 6132.3134 290.9281 3498.3544 6164.7595 296.9783 PRESSURE: 2301200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2301200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2301200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2301200 0 0 0 0 0 0 0 0 0 TIMING: 2301200 CPU: 9257.69, 0.00396122/step Wall: 9257.69, 0.00396122/step, 0.218747 hours remaining, 114.808594 MB of memory in use. ENERGY: 2301200 673.0503 1838.2388 1949.3744 120.7647 0.3267 -1102.3860 0.0000 0.0000 2683.2349 6162.6038 296.3708 3479.3689 6193.4505 296.5784 PRESSURE: 2301400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2301400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2301400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2301400 0 0 0 0 0 0 0 0 0 TIMING: 2301400 CPU: 9258.49, 0.00397334/step Wall: 9258.49, 0.00397334/step, 0.219196 hours remaining, 114.808594 MB of memory in use. ENERGY: 2301400 644.0674 1879.4774 1941.8557 108.0365 1.4565 -1111.6208 0.0000 0.0000 2679.7353 6143.0081 295.9842 3463.2727 6178.0719 297.2670 PRESSURE: 2301600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2301600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2301600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2301600 0 0 0 0 0 0 0 0 0 TIMING: 2301600 CPU: 9259.28, 0.00396254/step Wall: 9259.28, 0.00396254/step, 0.21838 hours remaining, 114.808594 MB of memory in use. ENERGY: 2301600 637.1125 1857.6569 1942.5609 104.9704 1.8931 -1090.2681 0.0000 0.0000 2701.1773 6155.1030 298.3526 3453.9257 6189.0264 296.4461 PRESSURE: 2301800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2301800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2301800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2301800 0 0 0 0 0 0 0 0 0 TIMING: 2301800 CPU: 9260.07, 0.00395527/step Wall: 9260.07, 0.00395527/step, 0.217759 hours remaining, 114.808594 MB of memory in use. ENERGY: 2301800 638.0728 1857.1458 1941.9975 109.2101 0.5559 -1068.7761 0.0000 0.0000 2725.3858 6203.5918 301.0265 3478.2060 6235.7188 298.8330 PRESSURE: 2302000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2302000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2302000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2302000 0 0 0 0 0 0 0 0 0 TIMING: 2302000 CPU: 9260.86, 0.00395398/step Wall: 9260.86, 0.00395398/step, 0.217469 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2302000 645.9771 1881.6559 1914.9626 110.4779 -0.7996 -1100.2057 0.0000 0.0000 2723.1750 6175.2432 300.7823 3452.0682 6207.3415 298.8273 PRESSURE: 2302200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2302200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2302200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2302200 0 0 0 0 0 0 0 0 0 TIMING: 2302200 CPU: 9261.65, 0.00395818/step Wall: 9261.65, 0.00395818/step, 0.21748 hours remaining, 114.808594 MB of memory in use. ENERGY: 2302200 644.3226 1849.1046 1938.2736 102.9673 0.4896 -1076.6931 0.0000 0.0000 2678.5647 6137.0292 295.8549 3458.4645 6169.1082 295.6337 PRESSURE: 2302400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2302400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2302400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2302400 0 0 0 0 0 0 0 0 0 TIMING: 2302400 CPU: 9262.45, 0.00396165/step Wall: 9262.45, 0.00396165/step, 0.217451 hours remaining, 114.808594 MB of memory in use. ENERGY: 2302400 636.5420 1812.8738 1963.1340 93.8113 0.0621 -1073.7806 0.0000 0.0000 2696.3922 6129.0349 297.8240 3432.6426 6162.6599 294.9579 PRESSURE: 2302600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2302600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2302600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2302600 0 0 0 0 0 0 0 0 0 TIMING: 2302600 CPU: 9263.24, 0.00395669/step Wall: 9263.24, 0.00395669/step, 0.216958 hours remaining, 114.808594 MB of memory in use. ENERGY: 2302600 648.5208 1801.0465 1959.4178 102.2961 1.1212 -1097.8327 0.0000 0.0000 2737.1985 6151.7681 302.3312 3414.5696 6185.0532 295.4531 PRESSURE: 2302800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2302800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2302800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2302800 0 0 0 0 0 0 0 0 0 TIMING: 2302800 CPU: 9264.03, 0.00394778/step Wall: 9264.03, 0.00394778/step, 0.216251 hours remaining, 114.808594 MB of memory in use. ENERGY: 2302800 661.0234 1843.7669 1981.0996 110.9560 0.0383 -1078.7614 0.0000 0.0000 2684.3583 6202.4812 296.4949 3518.1229 6235.8032 296.8439 PRESSURE: 2303000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2303000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2303000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2303000 0 0 0 0 0 0 0 0 0 TIMING: 2303000 CPU: 9264.82, 0.00395097/step Wall: 9264.82, 0.00395097/step, 0.216206 hours remaining, 114.808594 MB of memory in use. ENERGY: 2303000 677.0346 1849.2925 1943.3003 107.6192 0.1301 -1090.4755 0.0000 0.0000 2711.3161 6198.2172 299.4724 3486.9010 6231.6714 299.5212 PRESSURE: 2303200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2303200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2303200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2303200 0 0 0 0 0 0 0 0 0 TIMING: 2303200 CPU: 9265.61, 0.00395106/step Wall: 9265.61, 0.00395106/step, 0.215991 hours remaining, 114.808594 MB of memory in use. ENERGY: 2303200 652.9265 1856.8803 1966.6248 99.5566 0.0102 -1118.1659 0.0000 0.0000 2782.5616 6240.3941 307.3417 3457.8324 6273.1772 300.6804 PRESSURE: 2303400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2303400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2303400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2303400 0 0 0 0 0 0 0 0 0 TIMING: 2303400 CPU: 9266.4, 0.00395087/step Wall: 9266.4, 0.00395087/step, 0.215761 hours remaining, 114.808594 MB of memory in use. ENERGY: 2303400 675.1459 1873.7601 1971.8589 100.9617 0.3454 -1109.9476 0.0000 0.0000 2736.3222 6248.4467 302.2344 3512.1244 6283.0336 299.8682 PRESSURE: 2303600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2303600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2303600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2303600 0 0 0 0 0 0 0 0 0 TIMING: 2303600 CPU: 9267.19, 0.00395193/step Wall: 9267.19, 0.00395193/step, 0.215599 hours remaining, 114.808594 MB of memory in use. ENERGY: 2303600 664.8046 1822.9112 1936.6541 108.1417 0.8151 -1101.2947 0.0000 0.0000 2807.3449 6239.3768 310.0791 3432.0319 6276.8180 299.4269 PRESSURE: 2303800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2303800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2303800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2303800 0 0 0 0 0 0 0 0 0 TIMING: 2303800 CPU: 9267.98, 0.00395273/step Wall: 9267.98, 0.00395273/step, 0.215424 hours remaining, 114.808594 MB of memory in use. ENERGY: 2303800 651.4071 1964.4500 1921.4827 107.9192 0.7898 -1083.3983 0.0000 0.0000 2637.1845 6199.8350 291.2844 3562.6505 6227.7887 299.5583 PRESSURE: 2304000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2304000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2304000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2304000 0 0 0 0 0 0 0 0 0 TIMING: 2304000 CPU: 9268.77, 0.0039519/step Wall: 9268.77, 0.0039519/step, 0.215159 hours remaining, 114.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2304000 648.0204 1910.5457 1948.2167 107.0131 0.1856 -1101.3766 0.0000 0.0000 2710.3010 6222.9059 299.3603 3512.6049 6258.0401 299.6023 PRESSURE: 2304200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2304200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2304200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2304200 0 0 0 0 0 0 0 0 0 TIMING: 2304200 CPU: 9269.56, 0.00395139/step Wall: 9269.56, 0.00395139/step, 0.214911 hours remaining, 114.808594 MB of memory in use. ENERGY: 2304200 663.1928 1894.9875 1956.4068 107.1772 1.3715 -1105.5360 0.0000 0.0000 2769.6252 6287.2250 305.9128 3517.5998 6319.9069 302.1189 LDB: ============= START OF LOAD BALANCING ============== 9272.52 LDB: ============== END OF LOAD BALANCING =============== 9272.52 LDB: =============== DONE WITH MIGRATION ================ 9272.52 LDB: ============= START OF LOAD BALANCING ============== 9272.92 LDB: ============== END OF LOAD BALANCING =============== 9272.92 LDB: =============== DONE WITH MIGRATION ================ 9272.92 PRESSURE: 2304400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2304400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2304400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2304400 0 0 0 0 0 0 0 0 0 TIMING: 2304400 CPU: 9270.35, 0.0039544/step Wall: 9270.35, 0.0039544/step, 0.214855 hours remaining, 114.808594 MB of memory in use. ENERGY: 2304400 685.1730 1857.3815 1946.2096 114.3727 0.7511 -1102.5945 0.0000 0.0000 2789.1163 6290.4097 308.0657 3501.2934 6323.9899 305.4105 PRESSURE: 2304600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2304600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2304600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2304600 0 0 0 0 0 0 0 0 0 TIMING: 2304600 CPU: 9271.14, 0.00394494/step Wall: 9271.14, 0.00394494/step, 0.214123 hours remaining, 114.808594 MB of memory in use. ENERGY: 2304600 661.0259 1858.9971 1949.7461 115.7910 0.9123 -1087.8914 0.0000 0.0000 2712.8778 6211.4588 299.6449 3498.5810 6244.9469 302.5303 PRESSURE: 2304800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2304800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2304800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2304800 0 0 0 0 0 0 0 0 0 TIMING: 2304800 CPU: 9271.93, 0.00395055/step Wall: 9271.93, 0.00395055/step, 0.214208 hours remaining, 114.808594 MB of memory in use. ENERGY: 2304800 675.2814 1825.0276 1947.9845 100.6923 1.2826 -1092.6797 0.0000 0.0000 2730.2814 6187.8700 301.5672 3457.5886 6221.3418 297.7608 PRESSURE: 2305000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2305000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2305000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2305000 0 0 0 0 0 0 0 0 0 TIMING: 2305000 CPU: 9272.72, 0.00395005/step Wall: 9272.72, 0.00395005/step, 0.213961 hours remaining, 114.808594 MB of memory in use. ENERGY: 2305000 669.5636 1830.7562 1966.7420 114.6041 1.5111 -1095.5639 0.0000 0.0000 2731.5530 6219.1660 301.7076 3487.6130 6253.8892 299.0206 PRESSURE: 2305200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2305200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2305200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2305200 0 0 0 0 0 0 0 0 0 TIMING: 2305200 CPU: 9273.51, 0.00394994/step Wall: 9273.51, 0.00394994/step, 0.213736 hours remaining, 114.808594 MB of memory in use. ENERGY: 2305200 653.5026 1864.5013 1961.0566 103.1256 1.6988 -1078.8484 0.0000 0.0000 2707.1971 6212.2336 299.0175 3505.0365 6242.0746 298.8697 PRESSURE: 2305400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2305400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2305400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2305400 0 0 0 0 0 0 0 0 0 TIMING: 2305400 CPU: 9274.3, 0.00394893/step Wall: 9274.3, 0.00394893/step, 0.213462 hours remaining, 114.812500 MB of memory in use. ENERGY: 2305400 645.2916 1830.1980 1956.5911 105.7909 0.7334 -1063.8414 0.0000 0.0000 2740.0399 6214.8034 302.6450 3474.7635 6249.2714 298.3948 PRESSURE: 2305600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2305600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2305600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2305600 0 0 0 0 0 0 0 0 0 TIMING: 2305600 CPU: 9275.09, 0.00394446/step Wall: 9275.09, 0.00394446/step, 0.213001 hours remaining, 114.812500 MB of memory in use. ENERGY: 2305600 619.3377 1926.3067 1944.0273 112.7551 1.3503 -1052.0627 0.0000 0.0000 2658.7158 6210.4302 293.6626 3551.7144 6244.1415 299.3672 PRESSURE: 2305800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2305800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2305800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2305800 0 0 0 0 0 0 0 0 0 TIMING: 2305800 CPU: 9275.88, 0.00394869/step Wall: 9275.88, 0.00394869/step, 0.21301 hours remaining, 114.812500 MB of memory in use. ENERGY: 2305800 652.9362 1876.1922 1918.9126 99.7289 1.2210 -1062.5076 0.0000 0.0000 2735.3308 6221.8143 302.1249 3486.4835 6252.5300 298.2426 PRESSURE: 2306000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2306000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2306000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2306000 0 0 0 0 0 0 0 0 0 TIMING: 2306000 CPU: 9276.67, 0.00394972/step Wall: 9276.67, 0.00394972/step, 0.212846 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2306000 674.7138 1921.3223 1966.2475 117.0387 1.5018 -1076.3496 0.0000 0.0000 2654.6793 6259.1538 293.2167 3604.4745 6289.4934 298.8753 PRESSURE: 2306200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2306200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2306200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2306200 0 0 0 0 0 0 0 0 0 TIMING: 2306200 CPU: 9277.46, 0.00394966/step Wall: 9277.46, 0.00394966/step, 0.212624 hours remaining, 114.812500 MB of memory in use. ENERGY: 2306200 649.8583 1830.6678 1936.4490 115.3992 1.7348 -1098.4390 0.0000 0.0000 2825.3451 6261.0152 312.0672 3435.6702 6298.4959 301.7132 PRESSURE: 2306400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2306400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2306400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2306400 0 0 0 0 0 0 0 0 0 TIMING: 2306400 CPU: 9278.25, 0.00395047/step Wall: 9278.25, 0.00395047/step, 0.212447 hours remaining, 114.812500 MB of memory in use. ENERGY: 2306400 680.4287 1852.3432 1945.8962 99.2925 1.6761 -1067.6902 0.0000 0.0000 2676.4408 6188.3872 295.6203 3511.9464 6221.5840 301.0915 PRESSURE: 2306600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2306600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2306600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2306600 0 0 0 0 0 0 0 0 0 TIMING: 2306600 CPU: 9279.04, 0.00394471/step Wall: 9279.04, 0.00394471/step, 0.211918 hours remaining, 114.812500 MB of memory in use. ENERGY: 2306600 639.6447 1859.0343 1949.8709 102.3040 2.3721 -1090.3651 0.0000 0.0000 2759.7310 6222.5919 304.8200 3462.8609 6258.6179 298.7194 PRESSURE: 2306800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2306800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2306800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2306800 0 0 0 0 0 0 0 0 0 TIMING: 2306800 CPU: 9279.83, 0.00394943/step Wall: 9279.83, 0.00394943/step, 0.211953 hours remaining, 114.812500 MB of memory in use. ENERGY: 2306800 634.6197 1854.6436 1966.7973 114.2760 2.4982 -1024.8638 0.0000 0.0000 2709.0818 6257.0528 299.2256 3547.9711 6293.5379 299.8395 PRESSURE: 2307000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2307000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2307000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2307000 0 0 0 0 0 0 0 0 0 TIMING: 2307000 CPU: 9280.62, 0.00394943/step Wall: 9280.62, 0.00394943/step, 0.211733 hours remaining, 114.812500 MB of memory in use. ENERGY: 2307000 644.7193 1845.5453 1954.9556 111.1783 -0.2613 -1064.0934 0.0000 0.0000 2724.9999 6217.0437 300.9838 3492.0439 6251.8440 300.3935 PRESSURE: 2307200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2307200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2307200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2307200 0 0 0 0 0 0 0 0 0 TIMING: 2307200 CPU: 9281.41, 0.00395026/step Wall: 9281.41, 0.00395026/step, 0.211558 hours remaining, 114.812500 MB of memory in use. ENERGY: 2307200 655.8712 1846.0075 1979.5388 109.1916 1.3803 -1061.7662 0.0000 0.0000 2679.1190 6209.3422 295.9162 3530.2232 6241.9564 300.2639 PRESSURE: 2307400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2307400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2307400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2307400 0 0 0 0 0 0 0 0 0 TIMING: 2307400 CPU: 9282.2, 0.00394339/step Wall: 9282.2, 0.00394339/step, 0.210971 hours remaining, 114.812500 MB of memory in use. ENERGY: 2307400 634.9857 1883.1172 1970.0091 109.0334 2.0336 -1064.1399 0.0000 0.0000 2620.2052 6155.2443 289.4090 3535.0391 6186.3263 297.0163 PRESSURE: 2307600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2307600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2307600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2307600 0 0 0 0 0 0 0 0 0 TIMING: 2307600 CPU: 9282.99, 0.00394899/step Wall: 9282.99, 0.00394899/step, 0.211051 hours remaining, 114.812500 MB of memory in use. ENERGY: 2307600 651.4039 1870.4359 1979.9543 96.9843 2.2219 -1100.0735 0.0000 0.0000 2651.5924 6152.5192 292.8758 3500.9268 6184.5439 294.7608 PRESSURE: 2307800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2307800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2307800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2307800 0 0 0 0 0 0 0 0 0 TIMING: 2307800 CPU: 9283.78, 0.0039501/step Wall: 9283.78, 0.0039501/step, 0.210891 hours remaining, 114.812500 MB of memory in use. ENERGY: 2307800 630.2868 1844.1151 1981.0881 101.6225 1.4087 -1083.2253 0.0000 0.0000 2690.1450 6165.4409 297.1340 3475.2959 6195.7016 297.2379 PRESSURE: 2308000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2308000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2308000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2308000 0 0 0 0 0 0 0 0 0 TIMING: 2308000 CPU: 9284.57, 0.00394969/step Wall: 9284.57, 0.00394969/step, 0.21065 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2308000 603.5128 1880.7320 1932.1238 110.9804 1.5472 -1071.1420 0.0000 0.0000 2672.5874 6130.3416 295.1947 3457.7542 6160.6252 295.9818 PRESSURE: 2308200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2308200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2308200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2308200 0 0 0 0 0 0 0 0 0 TIMING: 2308200 CPU: 9285.36, 0.0039493/step Wall: 9285.36, 0.0039493/step, 0.21041 hours remaining, 114.812500 MB of memory in use. ENERGY: 2308200 673.9435 1858.4785 1945.4167 97.9297 2.6243 -1092.1842 0.0000 0.0000 2668.5010 6154.7095 294.7434 3486.2085 6185.5018 295.9267 LDB: ============= START OF LOAD BALANCING ============== 9288.31 LDB: ============== END OF LOAD BALANCING =============== 9288.31 LDB: =============== DONE WITH MIGRATION ================ 9288.31 LDB: ============= START OF LOAD BALANCING ============== 9288.71 LDB: ============== END OF LOAD BALANCING =============== 9288.71 LDB: =============== DONE WITH MIGRATION ================ 9288.71 PRESSURE: 2308400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2308400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2308400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2308400 0 0 0 0 0 0 0 0 0 TIMING: 2308400 CPU: 9286.15, 0.00395824/step Wall: 9286.15, 0.00395825/step, 0.210667 hours remaining, 114.812500 MB of memory in use. ENERGY: 2308400 647.1521 1862.8142 1954.1084 118.5468 1.3637 -1088.9721 0.0000 0.0000 2681.0968 6176.1099 296.1346 3495.0130 6207.6360 297.5506 PRESSURE: 2308600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2308600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2308600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2308600 0 0 0 0 0 0 0 0 0 TIMING: 2308600 CPU: 9286.94, 0.00395149/step Wall: 9286.94, 0.00395149/step, 0.210087 hours remaining, 114.812500 MB of memory in use. ENERGY: 2308600 680.1806 1874.8737 1959.0842 98.8474 1.6732 -1083.3681 0.0000 0.0000 2684.8313 6216.1222 296.5471 3531.2910 6247.2984 299.9703 PRESSURE: 2308800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2308800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2308800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2308800 0 0 0 0 0 0 0 0 0 TIMING: 2308800 CPU: 9287.73, 0.00395385/step Wall: 9287.73, 0.00395385/step, 0.209993 hours remaining, 114.812500 MB of memory in use. ENERGY: 2308800 684.9275 1844.7496 1938.5613 103.1561 1.8760 -1082.3077 0.0000 0.0000 2731.8300 6222.7928 301.7382 3490.9628 6256.9971 299.2815 PRESSURE: 2309000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2309000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2309000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2309000 0 0 0 0 0 0 0 0 0 TIMING: 2309000 CPU: 9288.52, 0.00394931/step Wall: 9288.52, 0.00394931/step, 0.209533 hours remaining, 114.812500 MB of memory in use. ENERGY: 2309000 663.1803 1841.8658 1937.3896 108.2588 1.8143 -1076.2072 0.0000 0.0000 2734.4841 6210.7856 302.0314 3476.3015 6244.8333 300.8415 PRESSURE: 2309200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2309200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2309200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2309200 0 0 0 0 0 0 0 0 0 TIMING: 2309200 CPU: 9289.31, 0.00395219/step Wall: 9289.31, 0.00395219/step, 0.209466 hours remaining, 114.812500 MB of memory in use. ENERGY: 2309200 656.8265 1860.0298 1964.3732 101.2717 1.2433 -1090.7212 0.0000 0.0000 2695.6026 6188.6259 297.7368 3493.0232 6221.7277 299.0399 PRESSURE: 2309400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2309400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2309400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2309400 0 0 0 0 0 0 0 0 0 TIMING: 2309400 CPU: 9290.1, 0.00394598/step Wall: 9290.1, 0.00394598/step, 0.208918 hours remaining, 114.812500 MB of memory in use. ENERGY: 2309400 661.3332 1803.0550 1956.4725 95.3474 2.3526 -1077.5234 0.0000 0.0000 2681.0650 6122.1023 296.1311 3441.0373 6153.6136 296.4034 PRESSURE: 2309600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2309600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2309600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2309600 0 0 0 0 0 0 0 0 0 TIMING: 2309600 CPU: 9290.89, 0.00394927/step Wall: 9290.89, 0.00394927/step, 0.208872 hours remaining, 114.812500 MB of memory in use. ENERGY: 2309600 654.5195 1871.1241 1933.6512 111.4969 1.9027 -1051.9455 0.0000 0.0000 2664.1965 6184.9455 294.2679 3520.7489 6217.0454 296.4227 PRESSURE: 2309800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2309800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2309800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2309800 0 0 0 0 0 0 0 0 0 TIMING: 2309800 CPU: 9291.68, 0.00394996/step Wall: 9291.68, 0.00394996/step, 0.20869 hours remaining, 114.812500 MB of memory in use. ENERGY: 2309800 660.5088 1873.6030 1928.9413 106.5772 2.0436 -1046.4431 0.0000 0.0000 2719.1770 6244.4078 300.3407 3525.2308 6275.2849 299.0489 PRESSURE: 2310000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2310000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2310000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2310000 0 0 0 0 0 0 0 0 0 TIMING: 2310000 CPU: 9292.47, 0.0039512/step Wall: 9292.47, 0.0039512/step, 0.208535 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2310000 663.9866 1846.6923 1985.6192 112.0530 1.5564 -1097.6707 0.0000 0.0000 2698.1282 6210.3651 298.0158 3512.2368 6245.5727 301.8934 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2310000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2310000 WRITING COORDINATES TO RESTART FILE AT STEP 2310000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2310000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2310200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2310200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2310200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2310200 0 0 0 0 0 0 0 0 0 TIMING: 2310200 CPU: 9293.32, 0.00426927/step Wall: 9293.32, 0.00426927/step, 0.225085 hours remaining, 114.812500 MB of memory in use. ENERGY: 2310200 627.0101 1844.5573 1949.6233 106.6371 2.1042 -1080.8569 0.0000 0.0000 2731.1958 6180.2709 301.6682 3449.0751 6213.6811 298.4022 PRESSURE: 2310400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2310400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2310400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2310400 0 0 0 0 0 0 0 0 0 TIMING: 2310400 CPU: 9294.11, 0.00394575/step Wall: 9294.11, 0.00394575/step, 0.20781 hours remaining, 114.812500 MB of memory in use. ENERGY: 2310400 666.4877 1869.0601 1953.9346 103.5440 0.8109 -1061.8434 0.0000 0.0000 2641.3010 6173.2950 291.7391 3531.9939 6205.2005 298.7655 PRESSURE: 2310600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2310600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2310600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2310600 0 0 0 0 0 0 0 0 0 TIMING: 2310600 CPU: 9294.9, 0.00395265/step Wall: 9294.9, 0.00395265/step, 0.207953 hours remaining, 114.812500 MB of memory in use. ENERGY: 2310600 655.5815 1900.3469 1974.1437 103.1264 1.3721 -1036.2966 0.0000 0.0000 2661.1015 6259.3755 293.9261 3598.2740 6291.1345 299.0722 PRESSURE: 2310800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2310800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2310800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2310800 0 0 0 0 0 0 0 0 0 TIMING: 2310800 CPU: 9295.69, 0.00395278/step Wall: 9295.69, 0.00395279/step, 0.207741 hours remaining, 114.812500 MB of memory in use. ENERGY: 2310800 635.2349 1881.1398 1964.6573 118.0242 0.4710 -1092.8308 0.0000 0.0000 2691.8485 6198.5449 297.3222 3506.6964 6230.7921 300.0417 PRESSURE: 2311000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2311000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2311000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2311000 0 0 0 0 0 0 0 0 0 TIMING: 2311000 CPU: 9296.48, 0.0039519/step Wall: 9296.48, 0.0039519/step, 0.207474 hours remaining, 114.812500 MB of memory in use. ENERGY: 2311000 660.0488 1850.4407 1971.2599 110.7816 1.7176 -1072.8705 0.0000 0.0000 2669.0777 6190.4557 294.8071 3521.3780 6223.8149 297.7505 PRESSURE: 2311200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2311200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2311200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2311200 0 0 0 0 0 0 0 0 0 TIMING: 2311200 CPU: 9297.27, 0.00395044/step Wall: 9297.27, 0.00395044/step, 0.207179 hours remaining, 114.812500 MB of memory in use. ENERGY: 2311200 696.6211 1841.0535 1966.7533 88.8782 1.8399 -1081.2765 0.0000 0.0000 2663.9227 6177.7923 294.2377 3513.8695 6208.8407 296.8827 PRESSURE: 2311400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2311400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2311400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2311400 0 0 0 0 0 0 0 0 0 TIMING: 2311400 CPU: 9298.06, 0.00394481/step Wall: 9298.06, 0.00394481/step, 0.206664 hours remaining, 114.812500 MB of memory in use. ENERGY: 2311400 637.7826 1855.6199 1952.4514 115.3758 3.7233 -1103.6756 0.0000 0.0000 2711.6081 6172.8854 299.5047 3461.2773 6205.2431 297.8841 PRESSURE: 2311600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2311600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2311600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2311600 0 0 0 0 0 0 0 0 0 TIMING: 2311600 CPU: 9298.85, 0.0039577/step Wall: 9298.85, 0.0039577/step, 0.20712 hours remaining, 114.812500 MB of memory in use. ENERGY: 2311600 675.1914 1822.1215 1970.8346 100.9166 2.4972 -1093.7186 0.0000 0.0000 2673.3476 6151.1903 295.2787 3477.8426 6180.6355 297.8157 PRESSURE: 2311800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2311800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2311800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2311800 0 0 0 0 0 0 0 0 0 TIMING: 2311800 CPU: 9299.64, 0.00395173/step Wall: 9299.64, 0.00395173/step, 0.206588 hours remaining, 114.812500 MB of memory in use. ENERGY: 2311800 624.1290 1803.4812 1972.4471 102.2236 3.1104 -1068.8902 0.0000 0.0000 2697.7920 6134.2931 297.9786 3436.5011 6169.6873 295.6385 PRESSURE: 2312000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2312000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2312000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2312000 0 0 0 0 0 0 0 0 0 TIMING: 2312000 CPU: 9300.43, 0.0039513/step Wall: 9300.43, 0.0039513/step, 0.206346 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2312000 628.2400 1830.1430 1952.5459 100.6513 0.7733 -1065.5726 0.0000 0.0000 2687.6521 6134.4329 296.8587 3446.7808 6170.0674 295.9949 PRESSURE: 2312200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2312200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2312200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2312200 0 0 0 0 0 0 0 0 0 TIMING: 2312200 CPU: 9301.22, 0.00394518/step Wall: 9301.22, 0.00394518/step, 0.205807 hours remaining, 114.812500 MB of memory in use. ENERGY: 2312200 642.5987 1820.0028 1905.4708 107.3161 2.2376 -1090.1775 0.0000 0.0000 2711.9302 6099.3787 299.5402 3387.4485 6134.0430 295.7592 LDB: ============= START OF LOAD BALANCING ============== 9304.18 LDB: ============== END OF LOAD BALANCING =============== 9304.18 LDB: =============== DONE WITH MIGRATION ================ 9304.18 LDB: ============= START OF LOAD BALANCING ============== 9304.58 LDB: ============== END OF LOAD BALANCING =============== 9304.58 LDB: =============== DONE WITH MIGRATION ================ 9304.58 PRESSURE: 2312400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2312400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2312400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2312400 0 0 0 0 0 0 0 0 0 TIMING: 2312400 CPU: 9302.01, 0.00395643/step Wall: 9302.01, 0.00395643/step, 0.206174 hours remaining, 114.812500 MB of memory in use. ENERGY: 2312400 622.8336 1822.0494 1969.2530 129.4937 2.5406 -1066.8520 0.0000 0.0000 2611.8267 6091.1450 288.4835 3479.3183 6121.2160 294.7022 PRESSURE: 2312600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2312600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2312600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2312600 0 0 0 0 0 0 0 0 0 TIMING: 2312600 CPU: 9302.8, 0.00394997/step Wall: 9302.8, 0.00394997/step, 0.205618 hours remaining, 114.812500 MB of memory in use. ENERGY: 2312600 677.7024 1756.7077 1985.8751 107.2346 2.8344 -1088.4119 0.0000 0.0000 2637.9133 6079.8556 291.3649 3441.9424 6113.1014 292.5266 PRESSURE: 2312800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2312800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2312800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2312800 0 0 0 0 0 0 0 0 0 TIMING: 2312800 CPU: 9303.59, 0.00395043/step Wall: 9303.59, 0.00395043/step, 0.205422 hours remaining, 114.812500 MB of memory in use. ENERGY: 2312800 606.2154 1825.9107 1957.3449 116.3545 2.6588 -1100.3502 0.0000 0.0000 2634.8231 6042.9571 291.0235 3408.1340 6073.7810 291.9098 PRESSURE: 2313000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2313000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2313000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2313000 0 0 0 0 0 0 0 0 0 TIMING: 2313000 CPU: 9304.38, 0.00395126/step Wall: 9304.38, 0.00395126/step, 0.205246 hours remaining, 114.812500 MB of memory in use. ENERGY: 2313000 637.1147 1818.1304 1938.4075 102.0303 1.0844 -1102.7110 0.0000 0.0000 2605.2241 5999.2804 287.7543 3394.0563 6029.4137 290.7589 PRESSURE: 2313200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2313200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2313200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2313200 0 0 0 0 0 0 0 0 0 TIMING: 2313200 CPU: 9305.17, 0.00394451/step Wall: 9305.17, 0.00394451/step, 0.204676 hours remaining, 114.812500 MB of memory in use. ENERGY: 2313200 658.0641 1793.4032 1942.9406 104.6294 2.6078 -1100.9006 0.0000 0.0000 2598.8733 5999.6178 287.0528 3400.7445 6031.9128 288.8441 PRESSURE: 2313400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2313400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2313400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2313400 0 0 0 0 0 0 0 0 0 TIMING: 2313400 CPU: 9305.96, 0.00395099/step Wall: 9305.96, 0.00395099/step, 0.204793 hours remaining, 114.812500 MB of memory in use. ENERGY: 2313400 679.7955 1871.6633 1938.7132 117.7676 1.2572 -1083.4000 0.0000 0.0000 2559.2332 6085.0300 282.6744 3525.7968 6112.9730 290.3734 PRESSURE: 2313600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2313600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2313600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2313600 0 0 0 0 0 0 0 0 0 TIMING: 2313600 CPU: 9306.75, 0.0039527/step Wall: 9306.75, 0.0039527/step, 0.204662 hours remaining, 114.812500 MB of memory in use. ENERGY: 2313600 586.4835 1820.8113 1916.0510 109.6272 2.3252 -1045.2863 0.0000 0.0000 2696.8391 6086.8511 297.8734 3390.0120 6120.7833 292.4392 PRESSURE: 2313800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2313800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2313800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2313800 0 0 0 0 0 0 0 0 0 TIMING: 2313800 CPU: 9307.54, 0.00395127/step Wall: 9307.54, 0.00395127/step, 0.204369 hours remaining, 114.812500 MB of memory in use. ENERGY: 2313800 660.3563 1826.4664 1973.9424 104.0575 1.7877 -1099.3025 0.0000 0.0000 2655.8099 6123.1177 293.3416 3467.3079 6155.5482 295.0092 PRESSURE: 2314000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2314000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2314000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2314000 0 0 0 0 0 0 0 0 0 TIMING: 2314000 CPU: 9308.33, 0.00395141/step Wall: 9308.33, 0.00395141/step, 0.204156 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2314000 676.5093 1830.8887 1959.6599 109.5434 1.4359 -1104.8527 0.0000 0.0000 2672.3808 6145.5653 295.1719 3473.1845 6177.7125 296.8380 PRESSURE: 2314200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2314200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2314200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2314200 0 0 0 0 0 0 0 0 0 TIMING: 2314200 CPU: 9309.12, 0.00394515/step Wall: 9309.12, 0.00394515/step, 0.203614 hours remaining, 114.812500 MB of memory in use. ENERGY: 2314200 687.4505 1820.9697 1950.2071 112.6991 1.6823 -1077.9553 0.0000 0.0000 2644.9315 6139.9849 292.1401 3495.0534 6173.1591 294.8950 PRESSURE: 2314400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2314400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2314400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2314400 0 0 0 0 0 0 0 0 0 TIMING: 2314400 CPU: 9309.91, 0.00395114/step Wall: 9309.91, 0.00395114/step, 0.203703 hours remaining, 114.812500 MB of memory in use. ENERGY: 2314400 678.4350 1845.8953 1950.0128 113.5685 0.6047 -1107.2806 0.0000 0.0000 2675.9989 6157.2345 295.5715 3481.2356 6193.0844 295.8416 PRESSURE: 2314600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2314600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2314600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2314600 0 0 0 0 0 0 0 0 0 TIMING: 2314600 CPU: 9310.7, 0.00395359/step Wall: 9310.7, 0.00395359/step, 0.20361 hours remaining, 114.812500 MB of memory in use. ENERGY: 2314600 678.6219 1793.0882 1948.7541 105.8775 1.4540 -1076.6904 0.0000 0.0000 2712.4897 6163.5950 299.6020 3451.1053 6201.1163 296.8798 PRESSURE: 2314800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2314800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2314800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2314800 0 0 0 0 0 0 0 0 0 TIMING: 2314800 CPU: 9311.5, 0.00395514/step Wall: 9311.5, 0.00395514/step, 0.20347 hours remaining, 114.812500 MB of memory in use. ENERGY: 2314800 691.9724 1847.8383 1970.9022 114.8563 1.8398 -1089.5685 0.0000 0.0000 2660.0439 6197.8845 293.8093 3537.8406 6229.9795 297.9098 PRESSURE: 2315000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2315000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2315000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2315000 0 0 0 0 0 0 0 0 0 TIMING: 2315000 CPU: 9312.28, 0.00394751/step Wall: 9312.28, 0.00394751/step, 0.202858 hours remaining, 114.812500 MB of memory in use. ENERGY: 2315000 695.2246 1867.5948 1971.1446 104.4215 1.9586 -1100.7707 0.0000 0.0000 2649.7872 6189.3605 292.6764 3539.5733 6221.3907 298.1045 PRESSURE: 2315200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2315200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2315200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2315200 0 0 0 0 0 0 0 0 0 TIMING: 2315200 CPU: 9313.08, 0.00395101/step Wall: 9313.08, 0.00395101/step, 0.202819 hours remaining, 114.812500 MB of memory in use. ENERGY: 2315200 645.0677 1890.1583 1964.4359 111.3087 1.0129 -1127.4203 0.0000 0.0000 2714.7750 6199.3382 299.8545 3484.5632 6233.0489 297.6163 PRESSURE: 2315400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2315400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2315400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2315400 0 0 0 0 0 0 0 0 0 TIMING: 2315400 CPU: 9313.87, 0.00395057/step Wall: 9313.87, 0.00395056/step, 0.202576 hours remaining, 114.812500 MB of memory in use. ENERGY: 2315400 649.2079 1862.8959 1949.8130 112.0782 1.7175 -1124.2988 0.0000 0.0000 2744.1430 6195.5566 303.0982 3451.4136 6233.8987 298.7065 PRESSURE: 2315600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2315600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2315600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2315600 0 0 0 0 0 0 0 0 0 TIMING: 2315600 CPU: 9314.66, 0.00395141/step Wall: 9314.66, 0.00395142/step, 0.2024 hours remaining, 114.812500 MB of memory in use. ENERGY: 2315600 643.0523 1823.3072 1939.0238 106.5897 3.6448 -1091.1272 0.0000 0.0000 2698.5364 6123.0271 298.0609 3424.4907 6158.6871 297.9380 PRESSURE: 2315800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2315800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2315800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2315800 0 0 0 0 0 0 0 0 0 TIMING: 2315800 CPU: 9315.45, 0.00395134/step Wall: 9315.45, 0.00395134/step, 0.202177 hours remaining, 114.812500 MB of memory in use. ENERGY: 2315800 667.2776 1878.8177 1946.2015 119.6871 2.7896 -1107.4213 0.0000 0.0000 2660.7204 6168.0727 293.8840 3507.3523 6200.0700 297.4446 PRESSURE: 2316000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2316000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2316000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2316000 0 0 0 0 0 0 0 0 0 TIMING: 2316000 CPU: 9316.24, 0.00394712/step Wall: 9316.24, 0.00394712/step, 0.201741 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2316000 658.0151 1795.9956 1985.6219 112.0021 2.6961 -1095.5839 0.0000 0.0000 2648.4102 6107.1572 292.5243 3458.7469 6139.9049 296.5529 PRESSURE: 2316200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2316200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2316200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2316200 0 0 0 0 0 0 0 0 0 TIMING: 2316200 CPU: 9317.03, 0.00395544/step Wall: 9317.03, 0.00395544/step, 0.201947 hours remaining, 114.812500 MB of memory in use. ENERGY: 2316200 634.5950 1809.8457 1957.5309 108.6242 1.3710 -1081.8172 0.0000 0.0000 2647.5293 6077.6789 292.4270 3430.1496 6110.9423 292.0478 LDB: ============= START OF LOAD BALANCING ============== 9319.99 LDB: ============== END OF LOAD BALANCING =============== 9319.99 LDB: =============== DONE WITH MIGRATION ================ 9319.99 LDB: ============= START OF LOAD BALANCING ============== 9320.38 LDB: ============== END OF LOAD BALANCING =============== 9320.38 LDB: =============== DONE WITH MIGRATION ================ 9320.38 PRESSURE: 2316400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2316400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2316400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2316400 0 0 0 0 0 0 0 0 0 TIMING: 2316400 CPU: 9317.82, 0.0039588/step Wall: 9317.82, 0.0039588/step, 0.201899 hours remaining, 114.812500 MB of memory in use. ENERGY: 2316400 640.7502 1833.5717 1993.4811 110.0414 2.9153 -1136.9924 0.0000 0.0000 2668.4858 6112.2532 294.7417 3443.7674 6145.5489 292.2528 PRESSURE: 2316600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2316600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2316600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2316600 0 0 0 0 0 0 0 0 0 TIMING: 2316600 CPU: 9318.61, 0.00395513/step Wall: 9318.61, 0.00395513/step, 0.201492 hours remaining, 114.812500 MB of memory in use. ENERGY: 2316600 636.1397 1775.1172 1989.1403 108.7951 1.5505 -1108.3815 0.0000 0.0000 2652.4116 6054.7728 292.9663 3402.3612 6090.5583 292.2769 PRESSURE: 2316800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2316800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2316800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2316800 0 0 0 0 0 0 0 0 0 TIMING: 2316800 CPU: 9319.4, 0.00395618/step Wall: 9319.4, 0.00395618/step, 0.201326 hours remaining, 114.812500 MB of memory in use. ENERGY: 2316800 640.5930 1873.6932 1950.0051 105.9665 2.5454 -1075.7065 0.0000 0.0000 2619.9583 6117.0550 289.3817 3497.0967 6150.1529 293.4491 PRESSURE: 2317000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2317000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2317000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2317000 0 0 0 0 0 0 0 0 0 TIMING: 2317000 CPU: 9320.19, 0.003947/step Wall: 9320.19, 0.003947/step, 0.200639 hours remaining, 114.812500 MB of memory in use. ENERGY: 2317000 642.5486 1822.2037 2000.2656 111.6333 2.9511 -1084.6986 0.0000 0.0000 2664.9519 6159.8556 294.3514 3494.9037 6193.0055 294.0948 PRESSURE: 2317200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2317200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2317200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2317200 0 0 0 0 0 0 0 0 0 TIMING: 2317200 CPU: 9320.98, 0.00395435/step Wall: 9320.98, 0.00395435/step, 0.200793 hours remaining, 114.812500 MB of memory in use. ENERGY: 2317200 632.8622 1833.8944 1956.3858 106.0452 2.5613 -1067.1812 0.0000 0.0000 2681.6296 6146.1974 296.1935 3464.5678 6176.8482 296.2511 PRESSURE: 2317400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2317400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2317400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2317400 0 0 0 0 0 0 0 0 0 TIMING: 2317400 CPU: 9321.77, 0.00395343/step Wall: 9321.77, 0.00395343/step, 0.200527 hours remaining, 114.812500 MB of memory in use. ENERGY: 2317400 638.1256 1857.7903 1950.9997 105.4534 1.8784 -1067.8912 0.0000 0.0000 2642.2737 6128.6299 291.8465 3486.3562 6162.0104 295.3708 PRESSURE: 2317600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2317600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2317600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2317600 0 0 0 0 0 0 0 0 0 TIMING: 2317600 CPU: 9322.56, 0.00395387/step Wall: 9322.56, 0.00395387/step, 0.200329 hours remaining, 114.812500 MB of memory in use. ENERGY: 2317600 649.3349 1858.8631 1928.8298 101.1042 4.4065 -1104.4849 0.0000 0.0000 2680.8843 6118.9379 296.1111 3438.0536 6151.3483 293.1444 PRESSURE: 2317800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2317800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2317800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2317800 0 0 0 0 0 0 0 0 0 TIMING: 2317800 CPU: 9323.35, 0.00395408/step Wall: 9323.35, 0.00395408/step, 0.20012 hours remaining, 114.812500 MB of memory in use. ENERGY: 2317800 661.7042 1852.9087 1926.7146 95.2752 2.5058 -1088.7173 0.0000 0.0000 2680.5970 6130.9882 296.0794 3450.3912 6161.9989 298.0868 PRESSURE: 2318000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2318000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2318000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2318000 0 0 0 0 0 0 0 0 0 TIMING: 2318000 CPU: 9324.14, 0.00394623/step Wall: 9324.14, 0.00394623/step, 0.199504 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2318000 631.4260 1912.2895 1946.1446 108.9978 1.4991 -1093.6006 0.0000 0.0000 2643.4357 6150.1921 291.9748 3506.7564 6181.8815 296.9820 PRESSURE: 2318200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2318200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2318200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2318200 0 0 0 0 0 0 0 0 0 TIMING: 2318200 CPU: 9324.93, 0.00395294/step Wall: 9324.93, 0.00395294/step, 0.199624 hours remaining, 114.812500 MB of memory in use. ENERGY: 2318200 649.2312 1888.2113 1932.0068 110.4420 3.9715 -1068.3573 0.0000 0.0000 2649.0132 6164.5186 292.5909 3515.5054 6194.5455 295.7783 PRESSURE: 2318400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2318400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2318400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2318400 0 0 0 0 0 0 0 0 0 TIMING: 2318400 CPU: 9325.72, 0.00395504/step Wall: 9325.72, 0.00395504/step, 0.19951 hours remaining, 114.812500 MB of memory in use. ENERGY: 2318400 608.6680 1822.8536 1964.1774 106.9223 3.9853 -1083.8853 0.0000 0.0000 2729.0477 6151.7690 301.4309 3422.7213 6186.5890 294.3612 PRESSURE: 2318600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2318600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2318600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2318600 0 0 0 0 0 0 0 0 0 TIMING: 2318600 CPU: 9326.51, 0.00395426/step Wall: 9326.51, 0.00395427/step, 0.199251 hours remaining, 114.812500 MB of memory in use. ENERGY: 2318600 647.0566 1836.8281 1965.5716 107.9638 2.6496 -1080.4025 0.0000 0.0000 2680.3871 6160.0543 296.0562 3479.6671 6191.9187 296.6897 PRESSURE: 2318800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2318800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2318800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2318800 0 0 0 0 0 0 0 0 0 TIMING: 2318800 CPU: 9327.3, 0.00394594/step Wall: 9327.3, 0.00394594/step, 0.198612 hours remaining, 114.812500 MB of memory in use. ENERGY: 2318800 658.5725 1849.1640 1951.7711 112.7547 3.4555 -1101.5419 0.0000 0.0000 2766.4344 6240.6104 305.5604 3474.1759 6279.1431 298.9527 PRESSURE: 2319000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2319000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2319000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2319000 0 0 0 0 0 0 0 0 0 TIMING: 2319000 CPU: 9328.09, 0.00395167/step Wall: 9328.09, 0.00395167/step, 0.198681 hours remaining, 114.812500 MB of memory in use. ENERGY: 2319000 673.1981 1891.0316 1958.4311 105.4027 1.6669 -1104.8988 0.0000 0.0000 2703.3246 6228.1562 298.5897 3524.8316 6262.3531 301.7015 PRESSURE: 2319200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2319200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2319200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2319200 0 0 0 0 0 0 0 0 0 TIMING: 2319200 CPU: 9328.88, 0.0039524/step Wall: 9328.88, 0.0039524/step, 0.198499 hours remaining, 114.812500 MB of memory in use. ENERGY: 2319200 663.1261 1882.2806 2001.6666 104.1550 1.6590 -1122.6823 0.0000 0.0000 2702.3233 6232.5282 298.4791 3530.2049 6264.1239 301.1889 PRESSURE: 2319400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2319400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2319400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2319400 0 0 0 0 0 0 0 0 0 TIMING: 2319400 CPU: 9329.67, 0.00395231/step Wall: 9329.67, 0.00395231/step, 0.198274 hours remaining, 114.812500 MB of memory in use. ENERGY: 2319400 695.5126 1886.1154 1938.4429 99.6344 0.7026 -1064.7578 0.0000 0.0000 2684.0234 6239.6736 296.4579 3555.6502 6272.2179 299.6168 PRESSURE: 2319600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2319600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2319600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2319600 0 0 0 0 0 0 0 0 0 TIMING: 2319600 CPU: 9330.47, 0.0039544/step Wall: 9330.47, 0.0039544/step, 0.198159 hours remaining, 114.812500 MB of memory in use. ENERGY: 2319600 611.4307 1856.2111 1986.3127 120.2929 1.6638 -1092.8255 0.0000 0.0000 2684.3607 6167.4463 296.4951 3483.0856 6197.5314 299.6325 PRESSURE: 2319800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2319800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2319800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2319800 0 0 0 0 0 0 0 0 0 TIMING: 2319800 CPU: 9331.26, 0.00394844/step Wall: 9331.26, 0.00394844/step, 0.197641 hours remaining, 114.812500 MB of memory in use. ENERGY: 2319800 641.6130 1809.0510 1977.7018 112.0248 2.3481 -1073.3354 0.0000 0.0000 2712.4444 6181.8475 299.5970 3469.4031 6216.2010 297.1914 PRESSURE: 2320000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2320000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2320000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2320000 0 0 0 0 0 0 0 0 0 TIMING: 2320000 CPU: 9332.05, 0.00395427/step Wall: 9332.05, 0.00395427/step, 0.197714 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2320000 618.0313 1831.0294 1959.5848 110.6971 2.6658 -1047.4458 0.0000 0.0000 2722.7013 6197.2640 300.7299 3474.5626 6232.0116 296.5353 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2320000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2320000 WRITING COORDINATES TO RESTART FILE AT STEP 2320000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2320000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2320200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2320200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2320200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2320200 0 0 0 0 0 0 0 0 0 TIMING: 2320200 CPU: 9332.87, 0.00411752/step Wall: 9332.87, 0.00411752/step, 0.205647 hours remaining, 114.812500 MB of memory in use. ENERGY: 2320200 636.9679 1900.7888 1964.2528 94.0463 2.4558 -1074.4685 0.0000 0.0000 2722.3457 6246.3888 300.6907 3524.0431 6278.2446 299.3480 LDB: ============= START OF LOAD BALANCING ============== 9335.83 LDB: ============== END OF LOAD BALANCING =============== 9335.83 LDB: =============== DONE WITH MIGRATION ================ 9335.83 LDB: ============= START OF LOAD BALANCING ============== 9336.23 LDB: ============== END OF LOAD BALANCING =============== 9336.23 LDB: =============== DONE WITH MIGRATION ================ 9336.23 PRESSURE: 2320400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2320400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2320400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2320400 0 0 0 0 0 0 0 0 0 TIMING: 2320400 CPU: 9333.66, 0.0039579/step Wall: 9333.66, 0.0039579/step, 0.197455 hours remaining, 114.812500 MB of memory in use. ENERGY: 2320400 685.2600 1889.8882 1993.3402 101.6096 1.2272 -1099.8266 0.0000 0.0000 2669.0623 6240.5608 294.8054 3571.4985 6271.2671 300.0171 PRESSURE: 2320600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2320600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2320600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2320600 0 0 0 0 0 0 0 0 0 TIMING: 2320600 CPU: 9334.45, 0.00395429/step Wall: 9334.45, 0.00395429/step, 0.197056 hours remaining, 114.812500 MB of memory in use. ENERGY: 2320600 637.8398 1856.3749 1983.3221 105.6365 0.5985 -1089.6572 0.0000 0.0000 2710.4613 6204.5759 299.3780 3494.1146 6238.5200 301.0174 PRESSURE: 2320800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2320800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2320800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2320800 0 0 0 0 0 0 0 0 0 TIMING: 2320800 CPU: 9335.24, 0.00394845/step Wall: 9335.24, 0.00394845/step, 0.196545 hours remaining, 114.812500 MB of memory in use. ENERGY: 2320800 650.0177 1822.2882 1963.0884 119.1264 0.8830 -1072.1454 0.0000 0.0000 2759.8341 6243.0925 304.8314 3483.2584 6275.5713 301.4220 PRESSURE: 2321000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2321000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2321000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2321000 0 0 0 0 0 0 0 0 0 TIMING: 2321000 CPU: 9336.03, 0.00395625/step Wall: 9336.03, 0.00395625/step, 0.196714 hours remaining, 114.812500 MB of memory in use. ENERGY: 2321000 638.6193 1859.3178 1964.8282 105.2974 1.4387 -1061.4638 0.0000 0.0000 2755.5956 6263.6332 304.3632 3508.0376 6298.3527 301.4992 PRESSURE: 2321200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2321200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2321200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2321200 0 0 0 0 0 0 0 0 0 TIMING: 2321200 CPU: 9336.82, 0.00395608/step Wall: 9336.82, 0.00395608/step, 0.196485 hours remaining, 114.812500 MB of memory in use. ENERGY: 2321200 652.2051 1853.9240 1948.9274 109.0659 2.4113 -1088.7021 0.0000 0.0000 2726.0235 6203.8551 301.0969 3477.8316 6239.1017 298.7833 PRESSURE: 2321400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2321400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2321400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2321400 0 0 0 0 0 0 0 0 0 TIMING: 2321400 CPU: 9337.62, 0.00395639/step Wall: 9337.62, 0.00395639/step, 0.196281 hours remaining, 114.812500 MB of memory in use. ENERGY: 2321400 643.3574 1894.7530 1960.4462 108.5341 1.5855 -1108.7267 0.0000 0.0000 2692.0399 6191.9894 297.3433 3499.9496 6224.2114 298.1867 PRESSURE: 2321600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2321600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2321600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2321600 0 0 0 0 0 0 0 0 0 TIMING: 2321600 CPU: 9338.41, 0.0039602/step Wall: 9338.41, 0.0039602/step, 0.19625 hours remaining, 114.812500 MB of memory in use. ENERGY: 2321600 628.7834 1860.3519 1955.1213 98.3542 1.5028 -1076.2514 0.0000 0.0000 2695.3251 6163.1874 297.7062 3467.8623 6198.0476 297.2771 PRESSURE: 2321800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2321800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2321800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2321800 0 0 0 0 0 0 0 0 0 TIMING: 2321800 CPU: 9339.2, 0.00395033/step Wall: 9339.2, 0.00395033/step, 0.195541 hours remaining, 114.812500 MB of memory in use. ENERGY: 2321800 649.4369 1884.9088 1983.9194 100.9143 1.2028 -1086.6553 0.0000 0.0000 2650.0613 6183.7881 292.7067 3533.7268 6215.9249 295.7032 PRESSURE: 2322000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2322000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2322000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2322000 0 0 0 0 0 0 0 0 0 TIMING: 2322000 CPU: 9339.99, 0.00395325/step Wall: 9339.99, 0.00395325/step, 0.195466 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2322000 639.1138 1816.4821 1979.8806 132.5433 1.1660 -1096.9591 0.0000 0.0000 2688.2653 6160.4919 296.9264 3472.2266 6192.7854 298.9694 PRESSURE: 2322200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2322200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2322200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2322200 0 0 0 0 0 0 0 0 0 TIMING: 2322200 CPU: 9340.78, 0.00395477/step Wall: 9340.78, 0.00395477/step, 0.195322 hours remaining, 114.812500 MB of memory in use. ENERGY: 2322200 664.9987 1902.9753 1968.1103 108.4040 0.8153 -1126.2577 0.0000 0.0000 2691.4526 6210.4985 297.2784 3519.0459 6240.3668 297.3926 PRESSURE: 2322400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2322400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2322400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2322400 0 0 0 0 0 0 0 0 0 TIMING: 2322400 CPU: 9341.57, 0.00395607/step Wall: 9341.57, 0.00395607/step, 0.195166 hours remaining, 114.812500 MB of memory in use. ENERGY: 2322400 671.2204 1871.2200 1955.4531 116.4265 1.9717 -1119.8088 0.0000 0.0000 2729.7440 6226.2268 301.5078 3496.4828 6258.9261 300.0979 PRESSURE: 2322600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2322600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2322600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2322600 0 0 0 0 0 0 0 0 0 TIMING: 2322600 CPU: 9342.36, 0.00395292/step Wall: 9342.36, 0.00395292/step, 0.194791 hours remaining, 114.812500 MB of memory in use. ENERGY: 2322600 630.2068 1871.2491 1949.0859 113.2870 0.9588 -1075.9133 0.0000 0.0000 2672.7583 6161.6327 295.2136 3488.8744 6196.3026 299.6312 PRESSURE: 2322800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2322800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2322800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2322800 0 0 0 0 0 0 0 0 0 TIMING: 2322800 CPU: 9343.15, 0.00394862/step Wall: 9343.15, 0.00394862/step, 0.19436 hours remaining, 114.812500 MB of memory in use. ENERGY: 2322800 649.0939 1825.9166 1926.7970 105.6459 1.5996 -1069.5558 0.0000 0.0000 2652.0445 6091.5417 292.9257 3439.4972 6125.6104 295.4058 PRESSURE: 2323000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2323000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2323000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2323000 0 0 0 0 0 0 0 0 0 TIMING: 2323000 CPU: 9343.94, 0.00395432/step Wall: 9343.94, 0.00395432/step, 0.194421 hours remaining, 114.812500 MB of memory in use. ENERGY: 2323000 611.0079 1865.2285 2000.9423 103.5300 0.9435 -1109.6208 0.0000 0.0000 2647.3227 6119.3541 292.4042 3472.0314 6150.5418 295.0116 PRESSURE: 2323200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2323200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2323200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2323200 0 0 0 0 0 0 0 0 0 TIMING: 2323200 CPU: 9344.73, 0.00395455/step Wall: 9344.73, 0.00395455/step, 0.194212 hours remaining, 114.812500 MB of memory in use. ENERGY: 2323200 674.2370 1832.4879 1978.4255 103.9381 0.7534 -1143.2900 0.0000 0.0000 2713.6734 6160.2253 299.7328 3446.5518 6194.2906 296.2165 PRESSURE: 2323400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2323400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2323400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2323400 0 0 0 0 0 0 0 0 0 TIMING: 2323400 CPU: 9345.52, 0.00395412/step Wall: 9345.52, 0.00395412/step, 0.193971 hours remaining, 114.812500 MB of memory in use. ENERGY: 2323400 670.9798 1868.4094 1946.6607 119.5702 1.0804 -1092.1139 0.0000 0.0000 2705.5662 6220.1529 298.8373 3514.5866 6252.3095 298.8004 PRESSURE: 2323600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2323600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2323600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2323600 0 0 0 0 0 0 0 0 0 TIMING: 2323600 CPU: 9346.32, 0.00396839/step Wall: 9346.32, 0.00396839/step, 0.194451 hours remaining, 114.812500 MB of memory in use. ENERGY: 2323600 651.7061 1857.8303 1952.8465 99.2878 1.3306 -1116.2319 0.0000 0.0000 2735.4603 6182.2297 302.1392 3446.7694 6218.0305 300.5383 PRESSURE: 2323800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2323800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2323800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2323800 0 0 0 0 0 0 0 0 0 TIMING: 2323800 CPU: 9347.11, 0.00395887/step Wall: 9347.11, 0.00395887/step, 0.193765 hours remaining, 114.812500 MB of memory in use. ENERGY: 2323800 643.1068 1836.2264 1966.5144 105.1610 2.0047 -1083.1151 0.0000 0.0000 2716.0165 6185.9147 299.9916 3469.8982 6222.5377 299.4610 PRESSURE: 2324000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2324000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2324000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2324000 0 0 0 0 0 0 0 0 0 TIMING: 2324000 CPU: 9347.9, 0.00395786/step Wall: 9347.9, 0.00395786/step, 0.193495 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2324000 650.9919 1879.9498 1991.1607 103.2580 1.4814 -1131.4728 0.0000 0.0000 2683.8578 6179.2269 296.4396 3495.3691 6211.5186 298.4360 PRESSURE: 2324200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2324200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2324200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2324200 0 0 0 0 0 0 0 0 0 TIMING: 2324200 CPU: 9348.69, 0.00395594/step Wall: 9348.69, 0.00395594/step, 0.193182 hours remaining, 114.812500 MB of memory in use. ENERGY: 2324200 647.5671 1785.8717 1976.3182 98.7396 2.2291 -1100.0533 0.0000 0.0000 2702.5653 6113.2377 298.5059 3410.6725 6148.7888 295.6562 LDB: ============= START OF LOAD BALANCING ============== 9351.65 LDB: ============== END OF LOAD BALANCING =============== 9351.65 LDB: =============== DONE WITH MIGRATION ================ 9351.65 LDB: ============= START OF LOAD BALANCING ============== 9352.05 LDB: ============== END OF LOAD BALANCING =============== 9352.05 LDB: =============== DONE WITH MIGRATION ================ 9352.05 PRESSURE: 2324400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2324400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2324400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2324400 0 0 0 0 0 0 0 0 0 TIMING: 2324400 CPU: 9349.48, 0.00396047/step Wall: 9349.48, 0.00396047/step, 0.193183 hours remaining, 114.812500 MB of memory in use. ENERGY: 2324400 635.0021 1817.0507 1975.8397 104.1008 1.1444 -1111.3225 0.0000 0.0000 2714.8207 6136.6360 299.8595 3421.8153 6170.7686 296.5746 PRESSURE: 2324600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2324600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2324600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2324600 0 0 0 0 0 0 0 0 0 TIMING: 2324600 CPU: 9350.27, 0.00394877/step Wall: 9350.27, 0.00394877/step, 0.192393 hours remaining, 114.812500 MB of memory in use. ENERGY: 2324600 625.2903 1846.9062 1946.3287 118.0901 1.7199 -1062.2332 0.0000 0.0000 2656.1384 6132.2404 293.3779 3476.1020 6162.7845 297.7224 PRESSURE: 2324800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2324800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2324800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2324800 0 0 0 0 0 0 0 0 0 TIMING: 2324800 CPU: 9351.06, 0.00395455/step Wall: 9351.06, 0.00395455/step, 0.192455 hours remaining, 114.812500 MB of memory in use. ENERGY: 2324800 647.6520 1924.9441 1964.1645 103.0107 1.9573 -1124.9882 0.0000 0.0000 2599.2550 6115.9954 287.0950 3516.7404 6142.7845 296.5752 PRESSURE: 2325000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2325000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2325000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2325000 0 0 0 0 0 0 0 0 0 TIMING: 2325000 CPU: 9351.86, 0.00395316/step Wall: 9351.86, 0.00395316/step, 0.192168 hours remaining, 114.812500 MB of memory in use. ENERGY: 2325000 634.8843 1770.4850 1970.9906 103.6023 1.7489 -1066.3725 0.0000 0.0000 2712.4016 6127.7402 299.5923 3415.3386 6160.6975 295.3464 PRESSURE: 2325200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2325200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2325200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2325200 0 0 0 0 0 0 0 0 0 TIMING: 2325200 CPU: 9352.65, 0.00395388/step Wall: 9352.65, 0.00395388/step, 0.191983 hours remaining, 114.812500 MB of memory in use. ENERGY: 2325200 654.1988 1875.9661 1981.6825 105.7032 2.0245 -1086.4660 0.0000 0.0000 2657.6675 6190.7765 293.5468 3533.1090 6224.1998 297.1522 PRESSURE: 2325400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2325400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2325400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2325400 0 0 0 0 0 0 0 0 0 TIMING: 2325400 CPU: 9353.44, 0.00395322/step Wall: 9353.44, 0.00395322/step, 0.191731 hours remaining, 114.812500 MB of memory in use. ENERGY: 2325400 647.6183 1841.9818 1965.1151 105.4805 2.2506 -1095.8505 0.0000 0.0000 2737.8371 6204.4329 302.4017 3466.5958 6235.5594 299.0819 PRESSURE: 2325600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2325600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2325600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2325600 0 0 0 0 0 0 0 0 0 TIMING: 2325600 CPU: 9354.23, 0.0039467/step Wall: 9354.23, 0.0039467/step, 0.191196 hours remaining, 114.812500 MB of memory in use. ENERGY: 2325600 656.9629 1817.6169 1948.6894 108.3229 1.5089 -1070.3829 0.0000 0.0000 2714.2504 6176.9685 299.7965 3462.7181 6209.0899 299.3945 PRESSURE: 2325800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2325800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2325800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2325800 0 0 0 0 0 0 0 0 0 TIMING: 2325800 CPU: 9355.02, 0.00395269/step Wall: 9355.02, 0.00395269/step, 0.191266 hours remaining, 114.812500 MB of memory in use. ENERGY: 2325800 658.3171 1870.8841 1970.1912 107.3391 0.8160 -1102.9312 0.0000 0.0000 2688.7940 6193.4103 296.9848 3504.6163 6227.7200 299.9736 PRESSURE: 2326000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2326000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2326000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2326000 0 0 0 0 0 0 0 0 0 TIMING: 2326000 CPU: 9355.81, 0.00395328/step Wall: 9355.81, 0.00395328/step, 0.191075 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2326000 692.9772 1837.9922 1982.6327 105.4179 1.1825 -1098.3745 0.0000 0.0000 2706.1383 6227.9664 298.9005 3521.8281 6262.5889 299.7951 PRESSURE: 2326200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2326200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2326200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2326200 0 0 0 0 0 0 0 0 0 TIMING: 2326200 CPU: 9356.6, 0.00395526/step Wall: 9356.6, 0.00395526/step, 0.190951 hours remaining, 114.812500 MB of memory in use. ENERGY: 2326200 648.1281 1857.9910 1978.8698 112.8906 1.9831 -1095.4592 0.0000 0.0000 2709.8358 6214.2390 299.3089 3504.4033 6247.8160 300.4771 PRESSURE: 2326400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2326400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2326400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2326400 0 0 0 0 0 0 0 0 0 TIMING: 2326400 CPU: 9357.39, 0.00395484/step Wall: 9357.39, 0.00395484/step, 0.190711 hours remaining, 114.812500 MB of memory in use. ENERGY: 2326400 597.8562 1845.8781 1955.7292 104.4554 1.7405 -1085.7080 0.0000 0.0000 2749.6653 6169.6167 303.7082 3419.9514 6203.4471 299.3504 PRESSURE: 2326600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2326600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2326600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2326600 0 0 0 0 0 0 0 0 0 TIMING: 2326600 CPU: 9358.18, 0.00394978/step Wall: 9358.18, 0.00394978/step, 0.190248 hours remaining, 114.812500 MB of memory in use. ENERGY: 2326600 664.1880 1888.1093 1976.2544 116.3990 1.8453 -1107.4812 0.0000 0.0000 2615.6941 6155.0089 288.9107 3539.3148 6184.7423 296.0720 PRESSURE: 2326800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2326800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2326800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2326800 0 0 0 0 0 0 0 0 0 TIMING: 2326800 CPU: 9358.97, 0.00395439/step Wall: 9358.97, 0.00395439/step, 0.19025 hours remaining, 114.812500 MB of memory in use. ENERGY: 2326800 659.7749 1827.6351 1979.2926 91.8203 3.1796 -1076.5450 0.0000 0.0000 2688.3570 6173.5145 296.9365 3485.1575 6205.7443 297.8915 PRESSURE: 2327000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2327000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2327000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2327000 0 0 0 0 0 0 0 0 0 TIMING: 2327000 CPU: 9359.76, 0.0039558/step Wall: 9359.76, 0.0039558/step, 0.190098 hours remaining, 114.812500 MB of memory in use. ENERGY: 2327000 656.1469 1907.1257 1965.6786 109.2382 0.8166 -1124.5062 0.0000 0.0000 2727.7327 6242.2326 301.2857 3514.4999 6277.4251 301.1284 PRESSURE: 2327200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2327200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2327200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2327200 0 0 0 0 0 0 0 0 0 TIMING: 2327200 CPU: 9360.55, 0.0039547/step Wall: 9360.55, 0.0039547/step, 0.189826 hours remaining, 114.812500 MB of memory in use. ENERGY: 2327200 662.8692 1827.3933 1964.5706 109.2723 1.5649 -1064.1927 0.0000 0.0000 2732.8003 6234.2780 301.8454 3501.4777 6267.6982 300.2058 PRESSURE: 2327400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2327400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2327400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2327400 0 0 0 0 0 0 0 0 0 TIMING: 2327400 CPU: 9361.34, 0.00394753/step Wall: 9361.34, 0.00394753/step, 0.189262 hours remaining, 114.812500 MB of memory in use. ENERGY: 2327400 655.7145 1887.9487 1965.8683 112.7834 1.4396 -1105.7169 0.0000 0.0000 2682.4417 6200.4793 296.2832 3518.0376 6232.3663 298.4095 PRESSURE: 2327600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2327600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2327600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2327600 0 0 0 0 0 0 0 0 0 TIMING: 2327600 CPU: 9362.13, 0.00395314/step Wall: 9362.13, 0.00395314/step, 0.189311 hours remaining, 114.812500 MB of memory in use. ENERGY: 2327600 647.0435 1847.2797 1996.1633 101.6570 2.0332 -1077.2159 0.0000 0.0000 2673.5449 6190.5056 295.3005 3516.9608 6221.8600 298.2839 PRESSURE: 2327800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2327800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2327800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2327800 0 0 0 0 0 0 0 0 0 TIMING: 2327800 CPU: 9362.92, 0.00395174/step Wall: 9362.92, 0.00395174/step, 0.189025 hours remaining, 114.812500 MB of memory in use. ENERGY: 2327800 666.3868 1808.2597 1970.6650 102.6050 3.3286 -1067.9633 0.0000 0.0000 2714.9642 6198.2461 299.8754 3483.2818 6229.7395 296.9832 PRESSURE: 2328000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2328000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2328000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2328000 0 0 0 0 0 0 0 0 0 TIMING: 2328000 CPU: 9363.71, 0.0039526/step Wall: 9363.71, 0.0039526/step, 0.188847 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2328000 635.5931 1829.8294 1954.6088 104.7890 1.9668 -1077.1834 0.0000 0.0000 2756.2301 6205.8338 304.4333 3449.6037 6240.4041 300.5817 PRESSURE: 2328200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2328200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2328200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2328200 0 0 0 0 0 0 0 0 0 TIMING: 2328200 CPU: 9364.5, 0.00395347/step Wall: 9364.5, 0.00395347/step, 0.188669 hours remaining, 114.812500 MB of memory in use. ENERGY: 2328200 634.1917 1882.6263 1973.6564 113.9348 -0.0579 -1132.7720 0.0000 0.0000 2695.3638 6166.9432 297.7104 3471.5794 6202.0053 298.7371 LDB: ============= START OF LOAD BALANCING ============== 9367.46 LDB: ============== END OF LOAD BALANCING =============== 9367.46 LDB: =============== DONE WITH MIGRATION ================ 9367.46 LDB: ============= START OF LOAD BALANCING ============== 9367.86 LDB: ============== END OF LOAD BALANCING =============== 9367.86 LDB: =============== DONE WITH MIGRATION ================ 9367.86 PRESSURE: 2328400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2328400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2328400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2328400 0 0 0 0 0 0 0 0 0 TIMING: 2328400 CPU: 9365.29, 0.00395242/step Wall: 9365.29, 0.00395242/step, 0.188399 hours remaining, 114.812500 MB of memory in use. ENERGY: 2328400 682.2992 1846.4776 1973.5429 114.3885 1.3411 -1114.6843 0.0000 0.0000 2641.9275 6145.2925 291.8083 3503.3650 6175.0613 298.0544 PRESSURE: 2328600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2328600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2328600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2328600 0 0 0 0 0 0 0 0 0 TIMING: 2328600 CPU: 9366.09, 0.00395377/step Wall: 9366.09, 0.00395377/step, 0.188243 hours remaining, 114.812500 MB of memory in use. ENERGY: 2328600 628.4510 1907.6977 1987.2645 102.4669 2.1694 -1102.3714 0.0000 0.0000 2652.2971 6177.9752 292.9536 3525.6781 6208.9221 297.1832 PRESSURE: 2328800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2328800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2328800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2328800 0 0 0 0 0 0 0 0 0 TIMING: 2328800 CPU: 9366.88, 0.00395154/step Wall: 9366.88, 0.00395154/step, 0.187918 hours remaining, 114.812500 MB of memory in use. ENERGY: 2328800 630.3504 1840.4263 1979.2575 105.5640 1.5067 -1061.3114 0.0000 0.0000 2704.7951 6200.5886 298.7522 3495.7935 6234.6825 299.1410 PRESSURE: 2329000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2329000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2329000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2329000 0 0 0 0 0 0 0 0 0 TIMING: 2329000 CPU: 9367.67, 0.0039537/step Wall: 9367.67, 0.0039537/step, 0.187801 hours remaining, 114.812500 MB of memory in use. ENERGY: 2329000 618.1928 1822.3218 1965.9619 105.3636 2.2352 -1077.8195 0.0000 0.0000 2719.5144 6155.7701 300.3779 3436.2557 6190.9295 299.2724 PRESSURE: 2329200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2329200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2329200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2329200 0 0 0 0 0 0 0 0 0 TIMING: 2329200 CPU: 9368.46, 0.00395523/step Wall: 9368.46, 0.00395523/step, 0.187654 hours remaining, 114.812500 MB of memory in use. ENERGY: 2329200 618.3010 1834.3669 1977.7720 100.6345 2.0351 -1031.3847 0.0000 0.0000 2704.9537 6206.6786 298.7697 3501.7249 6239.1813 299.0015 PRESSURE: 2329400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2329400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2329400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2329400 0 0 0 0 0 0 0 0 0 TIMING: 2329400 CPU: 9369.25, 0.00394778/step Wall: 9369.25, 0.00394778/step, 0.187081 hours remaining, 114.812500 MB of memory in use. ENERGY: 2329400 655.2405 1843.0398 1983.5989 114.1535 1.5741 -1101.7755 0.0000 0.0000 2657.9207 6153.7520 293.5747 3495.8313 6186.9725 298.2800 PRESSURE: 2329600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2329600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2329600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2329600 0 0 0 0 0 0 0 0 0 TIMING: 2329600 CPU: 9370.04, 0.00395229/step Wall: 9370.04, 0.00395229/step, 0.187075 hours remaining, 114.812500 MB of memory in use. ENERGY: 2329600 613.4030 1840.1582 1956.1225 107.2912 1.9471 -1048.7941 0.0000 0.0000 2660.2313 6130.3593 293.8300 3470.1279 6163.7956 297.7402 PRESSURE: 2329800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2329800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2329800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2329800 0 0 0 0 0 0 0 0 0 TIMING: 2329800 CPU: 9370.83, 0.00395226/step Wall: 9370.83, 0.00395226/step, 0.186854 hours remaining, 114.812500 MB of memory in use. ENERGY: 2329800 636.2298 1843.3479 1966.0256 107.5519 1.3786 -1071.9796 0.0000 0.0000 2661.6118 6144.1659 293.9824 3482.5541 6176.4256 296.5331 PRESSURE: 2330000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2330000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2330000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2330000 0 0 0 0 0 0 0 0 0 TIMING: 2330000 CPU: 9371.62, 0.00395341/step Wall: 9371.62, 0.00395341/step, 0.186689 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2330000 658.5956 1836.4761 1947.4818 106.1445 2.7681 -1101.3095 0.0000 0.0000 2680.4569 6130.6135 296.0639 3450.1567 6163.6413 297.7485 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2330000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2330000 WRITING COORDINATES TO RESTART FILE AT STEP 2330000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2330000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2330200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2330200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2330200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2330200 0 0 0 0 0 0 0 0 0 TIMING: 2330200 CPU: 9372.44, 0.00411505/step Wall: 9372.44, 0.00411505/step, 0.194093 hours remaining, 114.812500 MB of memory in use. ENERGY: 2330200 605.7404 1838.1545 1973.9752 116.0276 1.4942 -1091.8605 0.0000 0.0000 2662.7531 6106.2846 294.1085 3443.5315 6137.7860 295.5196 PRESSURE: 2330400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2330400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2330400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2330400 0 0 0 0 0 0 0 0 0 TIMING: 2330400 CPU: 9373.23, 0.0039468/step Wall: 9373.23, 0.0039468/step, 0.185938 hours remaining, 114.812500 MB of memory in use. ENERGY: 2330400 654.2922 1782.8805 1953.3607 104.9871 3.4991 -1077.1939 0.0000 0.0000 2680.9443 6102.7700 296.1178 3421.8257 6136.9794 295.8829 PRESSURE: 2330600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2330600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2330600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2330600 0 0 0 0 0 0 0 0 0 TIMING: 2330600 CPU: 9374.02, 0.00395081/step Wall: 9374.02, 0.00395081/step, 0.185907 hours remaining, 114.812500 MB of memory in use. ENERGY: 2330600 650.4334 1833.7298 1973.1445 102.3852 2.1592 -1066.6966 0.0000 0.0000 2653.7559 6148.9115 293.1147 3495.1555 6181.2827 295.2783 PRESSURE: 2330800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2330800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2330800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2330800 0 0 0 0 0 0 0 0 0 TIMING: 2330800 CPU: 9374.81, 0.00395021/step Wall: 9374.81, 0.00395021/step, 0.18566 hours remaining, 114.812500 MB of memory in use. ENERGY: 2330800 646.9550 1789.9422 1951.0161 111.1046 1.6344 -1060.5390 0.0000 0.0000 2711.4145 6151.5278 299.4833 3440.1133 6184.4615 296.1858 PRESSURE: 2331000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2331000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2331000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2331000 0 0 0 0 0 0 0 0 0 TIMING: 2331000 CPU: 9375.6, 0.00395244/step Wall: 9375.6, 0.00395244/step, 0.185545 hours remaining, 114.812500 MB of memory in use. ENERGY: 2331000 642.2924 1802.4744 1946.5759 108.8847 2.6947 -1079.6805 0.0000 0.0000 2759.7588 6183.0005 304.8231 3423.2416 6218.8582 296.3258 PRESSURE: 2331200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2331200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2331200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2331200 0 0 0 0 0 0 0 0 0 TIMING: 2331200 CPU: 9376.39, 0.00394825/step Wall: 9376.39, 0.00394825/step, 0.185129 hours remaining, 114.812500 MB of memory in use. ENERGY: 2331200 660.3956 1851.3708 1993.6425 112.1538 2.8425 -1095.9491 0.0000 0.0000 2644.2583 6168.7144 292.0657 3524.4561 6200.6064 297.4457 PRESSURE: 2331400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2331400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2331400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2331400 0 0 0 0 0 0 0 0 0 TIMING: 2331400 CPU: 9377.18, 0.00395378/step Wall: 9377.18, 0.00395378/step, 0.185169 hours remaining, 114.812500 MB of memory in use. ENERGY: 2331400 635.1770 1816.9446 1938.2004 96.5202 2.8919 -1062.7066 0.0000 0.0000 2743.0429 6170.0703 302.9767 3427.0274 6203.9055 299.0598 PRESSURE: 2331600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2331600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2331600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2331600 0 0 0 0 0 0 0 0 0 TIMING: 2331600 CPU: 9377.97, 0.00395212/step Wall: 9377.97, 0.00395212/step, 0.184871 hours remaining, 114.812500 MB of memory in use. ENERGY: 2331600 637.6729 1890.8764 1967.3157 100.2482 3.5929 -1136.8836 0.0000 0.0000 2704.0340 6166.8564 298.6681 3462.8224 6200.0542 298.9388 PRESSURE: 2331800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2331800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2331800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2331800 0 0 0 0 0 0 0 0 0 TIMING: 2331800 CPU: 9378.76, 0.00395984/step Wall: 9378.76, 0.00395984/step, 0.185012 hours remaining, 114.812500 MB of memory in use. ENERGY: 2331800 614.7450 1864.7416 1957.3383 117.4887 1.9672 -1094.3908 0.0000 0.0000 2644.6419 6106.5319 292.1081 3461.8900 6137.1647 296.8982 PRESSURE: 2332000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2332000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2332000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2332000 0 0 0 0 0 0 0 0 0 TIMING: 2332000 CPU: 9379.55, 0.00395172/step Wall: 9379.55, 0.00395172/step, 0.184413 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2332000 625.6402 1872.6994 1967.3044 107.3318 1.4758 -1094.4657 0.0000 0.0000 2613.7584 6093.7444 288.6969 3479.9859 6120.4697 294.2288 PRESSURE: 2332200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2332200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2332200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2332200 0 0 0 0 0 0 0 0 0 TIMING: 2332200 CPU: 9380.34, 0.00394549/step Wall: 9380.34, 0.00394549/step, 0.183904 hours remaining, 114.812500 MB of memory in use. ENERGY: 2332200 674.0901 1838.7690 1957.5217 104.3648 2.2266 -1098.5851 0.0000 0.0000 2643.5815 6121.9687 291.9909 3478.3872 6154.2888 293.6400 LDB: ============= START OF LOAD BALANCING ============== 9383.3 LDB: ============== END OF LOAD BALANCING =============== 9383.3 LDB: =============== DONE WITH MIGRATION ================ 9383.3 LDB: ============= START OF LOAD BALANCING ============== 9383.7 LDB: ============== END OF LOAD BALANCING =============== 9383.7 LDB: =============== DONE WITH MIGRATION ================ 9383.7 PRESSURE: 2332400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2332400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2332400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2332400 0 0 0 0 0 0 0 0 0 TIMING: 2332400 CPU: 9381.14, 0.00395704/step Wall: 9381.14, 0.00395704/step, 0.184222 hours remaining, 114.812500 MB of memory in use. ENERGY: 2332400 657.1307 1815.4793 1975.3146 107.3318 2.4001 -1090.1941 0.0000 0.0000 2675.2024 6142.6647 295.4836 3467.4624 6172.9995 295.6884 PRESSURE: 2332600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2332600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2332600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2332600 0 0 0 0 0 0 0 0 0 TIMING: 2332600 CPU: 9381.93, 0.00395147/step Wall: 9381.93, 0.00395147/step, 0.183743 hours remaining, 114.812500 MB of memory in use. ENERGY: 2332600 640.7786 1850.5552 1982.8934 108.9177 -0.2931 -1082.0598 0.0000 0.0000 2666.6646 6167.4566 294.5405 3500.7920 6200.9778 296.0807 PRESSURE: 2332800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2332800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2332800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2332800 0 0 0 0 0 0 0 0 0 TIMING: 2332800 CPU: 9382.72, 0.00395355/step Wall: 9382.72, 0.00395355/step, 0.18362 hours remaining, 114.812500 MB of memory in use. ENERGY: 2332800 629.6038 1839.7806 1962.5892 119.7606 1.5214 -1050.1385 0.0000 0.0000 2724.8954 6228.0124 300.9723 3503.1170 6260.2912 298.0646 PRESSURE: 2333000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2333000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2333000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2333000 0 0 0 0 0 0 0 0 0 TIMING: 2333000 CPU: 9383.51, 0.00395372/step Wall: 9383.51, 0.00395372/step, 0.183408 hours remaining, 114.812500 MB of memory in use. ENERGY: 2333000 654.9400 1834.9536 1974.5566 116.8248 1.6126 -1053.6768 0.0000 0.0000 2717.9277 6247.1385 300.2027 3529.2108 6278.9782 301.2779 PRESSURE: 2333200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2333200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2333200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2333200 0 0 0 0 0 0 0 0 0 TIMING: 2333200 CPU: 9384.3, 0.00394748/step Wall: 9384.3, 0.00394748/step, 0.1829 hours remaining, 114.812500 MB of memory in use. ENERGY: 2333200 664.9039 1870.2728 1958.0970 108.1802 1.7923 -1093.7257 0.0000 0.0000 2723.0303 6232.5509 300.7663 3509.5206 6263.7070 300.1559 PRESSURE: 2333400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2333400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2333400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2333400 0 0 0 0 0 0 0 0 0 TIMING: 2333400 CPU: 9385.09, 0.00395307/step Wall: 9385.09, 0.00395307/step, 0.182939 hours remaining, 114.812500 MB of memory in use. ENERGY: 2333400 672.3299 1866.5221 1966.7731 110.6339 3.4170 -1117.1589 0.0000 0.0000 2741.1700 6243.6871 302.7699 3502.5171 6276.5506 300.5595 PRESSURE: 2333600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2333600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2333600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2333600 0 0 0 0 0 0 0 0 0 TIMING: 2333600 CPU: 9385.88, 0.00395249/step Wall: 9385.88, 0.00395249/step, 0.182693 hours remaining, 114.812500 MB of memory in use. ENERGY: 2333600 698.9733 1840.7453 1991.5010 125.1503 1.6533 -1087.8226 0.0000 0.0000 2706.7899 6276.9906 298.9725 3570.2007 6310.0540 303.5798 PRESSURE: 2333800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2333800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2333800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2333800 0 0 0 0 0 0 0 0 0 TIMING: 2333800 CPU: 9386.67, 0.00395167/step Wall: 9386.67, 0.00395167/step, 0.182435 hours remaining, 114.812500 MB of memory in use. ENERGY: 2333800 659.6790 1831.7787 1977.6572 107.8319 1.6825 -1056.2513 0.0000 0.0000 2750.1858 6272.5638 303.7657 3522.3781 6308.5181 302.7071 PRESSURE: 2334000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2334000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2334000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2334000 0 0 0 0 0 0 0 0 0 TIMING: 2334000 CPU: 9387.46, 0.00395154/step Wall: 9387.46, 0.00395154/step, 0.18221 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2334000 678.4914 1856.7126 1985.9152 102.0418 2.2676 -1090.1664 0.0000 0.0000 2739.9544 6275.2166 302.6356 3535.2622 6308.8277 303.4021 PRESSURE: 2334200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2334200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2334200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2334200 0 0 0 0 0 0 0 0 0 TIMING: 2334200 CPU: 9388.25, 0.003945/step Wall: 9388.25, 0.003945/step, 0.181689 hours remaining, 114.812500 MB of memory in use. ENERGY: 2334200 678.7031 1893.9725 1948.6982 115.7699 0.4363 -1025.3970 0.0000 0.0000 2716.2520 6328.4350 300.0176 3612.1830 6359.2620 304.0791 PRESSURE: 2334400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2334400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2334400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2334400 0 0 0 0 0 0 0 0 0 TIMING: 2334400 CPU: 9389.04, 0.00395382/step Wall: 9389.04, 0.00395382/step, 0.181876 hours remaining, 114.812500 MB of memory in use. ENERGY: 2334400 658.1557 1871.1011 1954.3921 107.0919 1.7986 -1100.7876 0.0000 0.0000 2789.7325 6281.4843 308.1337 3491.7518 6317.2214 305.6008 PRESSURE: 2334600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2334600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2334600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2334600 0 0 0 0 0 0 0 0 0 TIMING: 2334600 CPU: 9389.83, 0.0039525/step Wall: 9389.83, 0.0039525/step, 0.181595 hours remaining, 114.812500 MB of memory in use. ENERGY: 2334600 663.1984 1870.6662 1961.4572 103.9527 1.5075 -1093.7161 0.0000 0.0000 2742.2730 6249.3390 302.8917 3507.0660 6285.9164 302.1986 PRESSURE: 2334800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2334800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2334800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2334800 0 0 0 0 0 0 0 0 0 TIMING: 2334800 CPU: 9390.62, 0.00395281/step Wall: 9390.62, 0.00395281/step, 0.18139 hours remaining, 114.812500 MB of memory in use. ENERGY: 2334800 653.9853 1857.6412 1967.7120 116.7430 0.3321 -1099.7873 0.0000 0.0000 2746.1470 6242.7733 303.3196 3496.6263 6276.2236 301.0245 PRESSURE: 2335000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2335000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2335000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2335000 0 0 0 0 0 0 0 0 0 TIMING: 2335000 CPU: 9391.41, 0.00394653/step Wall: 9391.41, 0.00394653/step, 0.180883 hours remaining, 114.812500 MB of memory in use. ENERGY: 2335000 652.8575 1871.9010 1978.8256 120.2017 0.5914 -1054.7364 0.0000 0.0000 2675.3698 6245.0106 295.5020 3569.6408 6276.3555 301.7159 PRESSURE: 2335200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2335200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2335200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2335200 0 0 0 0 0 0 0 0 0 TIMING: 2335200 CPU: 9392.2, 0.00395131/step Wall: 9392.2, 0.00395131/step, 0.180882 hours remaining, 114.812500 MB of memory in use. ENERGY: 2335200 672.3489 1837.7720 1964.5556 114.8313 1.8846 -1089.2916 0.0000 0.0000 2714.5011 6216.6018 299.8242 3502.1008 6251.2166 298.8142 PRESSURE: 2335400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2335400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2335400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2335400 0 0 0 0 0 0 0 0 0 TIMING: 2335400 CPU: 9392.99, 0.00395038/step Wall: 9392.99, 0.00395038/step, 0.18062 hours remaining, 114.812500 MB of memory in use. ENERGY: 2335400 630.8922 1874.5938 1957.1779 110.2807 2.2047 -1046.1373 0.0000 0.0000 2697.5592 6226.5712 297.9529 3529.0120 6259.2722 300.7554 PRESSURE: 2335600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2335600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2335600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2335600 0 0 0 0 0 0 0 0 0 TIMING: 2335600 CPU: 9393.78, 0.0039511/step Wall: 9393.78, 0.0039511/step, 0.180434 hours remaining, 114.812500 MB of memory in use. ENERGY: 2335600 693.6768 1842.7296 1952.6440 108.7981 0.4221 -1079.8164 0.0000 0.0000 2740.2623 6258.7164 302.6696 3518.4541 6292.5945 301.3170 PRESSURE: 2335800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2335800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2335800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2335800 0 0 0 0 0 0 0 0 0 TIMING: 2335800 CPU: 9394.57, 0.00395028/step Wall: 9394.57, 0.00395028/step, 0.180177 hours remaining, 114.812500 MB of memory in use. ENERGY: 2335800 679.2254 1848.9325 1975.1992 116.0847 0.8760 -1103.7372 0.0000 0.0000 2682.5282 6199.1088 296.2927 3516.5806 6232.8562 300.0195 PRESSURE: 2336000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2336000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2336000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2336000 0 0 0 0 0 0 0 0 0 TIMING: 2336000 CPU: 9395.36, 0.00394314/step Wall: 9395.36, 0.00394314/step, 0.179632 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2336000 642.2488 1843.9838 1953.1089 91.0853 1.7539 -1091.4418 0.0000 0.0000 2700.0891 6140.8281 298.2324 3440.7390 6174.4183 297.4381 PRESSURE: 2336200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2336200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2336200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2336200 0 0 0 0 0 0 0 0 0 TIMING: 2336200 CPU: 9396.15, 0.00395062/step Wall: 9396.15, 0.00395062/step, 0.179753 hours remaining, 114.812500 MB of memory in use. ENERGY: 2336200 675.9982 1854.9505 1959.6802 101.3676 1.2458 -1123.8197 0.0000 0.0000 2679.1735 6148.5960 295.9222 3469.4226 6181.2391 296.2292 LDB: ============= START OF LOAD BALANCING ============== 9399.11 LDB: ============== END OF LOAD BALANCING =============== 9399.11 LDB: =============== DONE WITH MIGRATION ================ 9399.11 LDB: ============= START OF LOAD BALANCING ============== 9399.5 LDB: ============== END OF LOAD BALANCING =============== 9399.5 LDB: =============== DONE WITH MIGRATION ================ 9399.5 PRESSURE: 2336400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2336400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2336400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2336400 0 0 0 0 0 0 0 0 0 TIMING: 2336400 CPU: 9396.94, 0.00395515/step Wall: 9396.94, 0.00395515/step, 0.17974 hours remaining, 114.812500 MB of memory in use. ENERGY: 2336400 647.0403 1818.6249 1974.2401 105.4402 1.2477 -1089.3199 0.0000 0.0000 2706.9667 6164.2400 298.9920 3457.2733 6196.3998 297.1624 PRESSURE: 2336600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2336600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2336600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2336600 0 0 0 0 0 0 0 0 0 TIMING: 2336600 CPU: 9397.73, 0.00394938/step Wall: 9397.73, 0.00394938/step, 0.179258 hours remaining, 114.812500 MB of memory in use. ENERGY: 2336600 651.7273 1856.6333 1984.7808 107.7831 0.2706 -1116.7457 0.0000 0.0000 2704.5523 6189.0017 298.7253 3484.4494 6223.3298 298.3860 PRESSURE: 2336800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2336800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2336800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2336800 0 0 0 0 0 0 0 0 0 TIMING: 2336800 CPU: 9398.52, 0.0039504/step Wall: 9398.52, 0.0039504/step, 0.179085 hours remaining, 114.812500 MB of memory in use. ENERGY: 2336800 640.5645 1839.7154 1971.0186 104.3828 0.5451 -1107.6970 0.0000 0.0000 2724.4875 6173.0167 300.9272 3448.5293 6205.7423 298.3576 PRESSURE: 2337000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2337000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2337000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2337000 0 0 0 0 0 0 0 0 0 TIMING: 2337000 CPU: 9399.31, 0.00394399/step Wall: 9399.31, 0.00394399/step, 0.178575 hours remaining, 114.812500 MB of memory in use. ENERGY: 2337000 695.1743 1791.3212 1982.2459 108.8964 1.3060 -1122.4375 0.0000 0.0000 2715.7325 6172.2387 299.9602 3456.5062 6207.4548 298.8749 PRESSURE: 2337200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2337200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2337200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2337200 0 0 0 0 0 0 0 0 0 TIMING: 2337200 CPU: 9400.1, 0.00395125/step Wall: 9400.1, 0.00395125/step, 0.178684 hours remaining, 114.812500 MB of memory in use. ENERGY: 2337200 668.5863 1778.8747 1945.3848 98.5104 1.5676 -1065.1771 0.0000 0.0000 2713.3113 6141.0580 299.6928 3427.7467 6175.2120 297.5318 PRESSURE: 2337400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2337400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2337400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2337400 0 0 0 0 0 0 0 0 0 TIMING: 2337400 CPU: 9400.89, 0.00394917/step Wall: 9400.89, 0.00394917/step, 0.178371 hours remaining, 114.812500 MB of memory in use. ENERGY: 2337400 700.9270 1863.4801 1968.8897 110.5834 1.7790 -1127.0996 0.0000 0.0000 2641.5922 6160.1517 291.7712 3518.5595 6191.5156 296.5943 PRESSURE: 2337600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2337600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2337600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2337600 0 0 0 0 0 0 0 0 0 TIMING: 2337600 CPU: 9401.68, 0.00395322/step Wall: 9401.68, 0.00395322/step, 0.178334 hours remaining, 114.812500 MB of memory in use. ENERGY: 2337600 657.4150 1789.6596 1946.9642 97.5542 1.5453 -1069.6227 0.0000 0.0000 2705.6180 6129.1336 298.8430 3423.5156 6162.4510 296.3990 PRESSURE: 2337800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2337800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2337800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2337800 0 0 0 0 0 0 0 0 0 TIMING: 2337800 CPU: 9402.47, 0.00395114/step Wall: 9402.47, 0.00395114/step, 0.178021 hours remaining, 114.812500 MB of memory in use. ENERGY: 2337800 651.8956 1882.2785 1962.9336 104.6864 0.6671 -1130.8876 0.0000 0.0000 2700.4675 6172.0412 298.2742 3471.5737 6203.1175 297.5217 PRESSURE: 2338000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2338000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2338000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2338000 0 0 0 0 0 0 0 0 0 TIMING: 2338000 CPU: 9403.26, 0.00394429/step Wall: 9403.26, 0.00394429/step, 0.177493 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2338000 682.3116 1828.9956 1948.3289 98.6986 1.9843 -1089.4066 0.0000 0.0000 2705.2300 6176.1423 298.8002 3470.9122 6208.3352 298.9505 PRESSURE: 2338200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2338200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2338200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2338200 0 0 0 0 0 0 0 0 0 TIMING: 2338200 CPU: 9404.05, 0.00394991/step Wall: 9404.05, 0.00394991/step, 0.177526 hours remaining, 114.812500 MB of memory in use. ENERGY: 2338200 657.1543 1835.4810 1977.8186 105.5335 0.5892 -1072.2354 0.0000 0.0000 2669.0561 6173.3971 294.8047 3504.3410 6205.4555 298.9705 PRESSURE: 2338400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2338400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2338400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2338400 0 0 0 0 0 0 0 0 0 TIMING: 2338400 CPU: 9404.84, 0.00395063/step Wall: 9404.84, 0.00395063/step, 0.177339 hours remaining, 114.812500 MB of memory in use. ENERGY: 2338400 664.0954 1827.2329 1982.6160 92.5487 0.9483 -1088.3459 0.0000 0.0000 2683.7520 6162.8474 296.4279 3479.0954 6196.6135 297.2109 PRESSURE: 2338600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2338600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2338600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2338600 0 0 0 0 0 0 0 0 0 TIMING: 2338600 CPU: 9405.63, 0.00395136/step Wall: 9405.63, 0.00395136/step, 0.177152 hours remaining, 114.812500 MB of memory in use. ENERGY: 2338600 672.4314 1792.2758 1982.3357 119.2492 1.2303 -1107.6122 0.0000 0.0000 2691.0196 6150.9298 297.2306 3459.9102 6185.9354 297.9732 PRESSURE: 2338800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2338800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2338800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2338800 0 0 0 0 0 0 0 0 0 TIMING: 2338800 CPU: 9406.42, 0.00395944/step Wall: 9406.42, 0.00395944/step, 0.177295 hours remaining, 114.812500 MB of memory in use. ENERGY: 2338800 646.5195 1808.8590 1946.4257 110.9046 0.5288 -1062.1123 0.0000 0.0000 2625.2095 6076.3348 289.9617 3451.1253 6106.8623 293.7674 PRESSURE: 2339000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2339000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2339000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2339000 0 0 0 0 0 0 0 0 0 TIMING: 2339000 CPU: 9407.21, 0.00395447/step Wall: 9407.21, 0.00395447/step, 0.176853 hours remaining, 114.812500 MB of memory in use. ENERGY: 2339000 650.0043 1773.3482 1962.1093 114.6142 1.6005 -1062.0400 0.0000 0.0000 2644.5900 6084.2265 292.1023 3439.6366 6116.3427 293.1906 PRESSURE: 2339200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2339200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2339200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2339200 0 0 0 0 0 0 0 0 0 TIMING: 2339200 CPU: 9408, 0.00395535/step Wall: 9408, 0.00395535/step, 0.176672 hours remaining, 114.812500 MB of memory in use. ENERGY: 2339200 633.4983 1790.1604 1952.9767 108.0066 1.3559 -1090.9993 0.0000 0.0000 2754.7442 6149.7426 304.2692 3394.9985 6183.1742 294.9007 PRESSURE: 2339400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2339400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2339400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2339400 0 0 0 0 0 0 0 0 0 TIMING: 2339400 CPU: 9408.79, 0.00395218/step Wall: 9408.79, 0.00395218/step, 0.176311 hours remaining, 114.812500 MB of memory in use. ENERGY: 2339400 663.0162 1814.4904 1976.2948 106.2890 1.4378 -1092.7371 0.0000 0.0000 2689.5083 6158.2995 297.0637 3468.7912 6189.5895 296.1672 PRESSURE: 2339600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2339600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2339600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2339600 0 0 0 0 0 0 0 0 0 TIMING: 2339600 CPU: 9409.58, 0.00395226/step Wall: 9409.58, 0.00395226/step, 0.176095 hours remaining, 114.812500 MB of memory in use. ENERGY: 2339600 638.9075 1786.2491 1945.3487 109.3679 1.3806 -1071.7933 0.0000 0.0000 2775.8414 6185.3019 306.5994 3409.4605 6217.0489 298.2164 PRESSURE: 2339800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2339800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2339800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2339800 0 0 0 0 0 0 0 0 0 TIMING: 2339800 CPU: 9410.37, 0.00394659/step Wall: 9410.37, 0.00394659/step, 0.175623 hours remaining, 114.812500 MB of memory in use. ENERGY: 2339800 690.1210 1868.8362 1951.0478 114.8895 2.4580 -1050.4740 0.0000 0.0000 2694.8786 6271.7572 297.6568 3576.8787 6302.8836 299.7574 PRESSURE: 2340000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2340000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2340000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2340000 0 0 0 0 0 0 0 0 0 TIMING: 2340000 CPU: 9411.16, 0.00395488/step Wall: 9411.16, 0.00395488/step, 0.175772 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2340000 668.3675 1880.5732 1962.7047 103.7034 1.2203 -1095.0931 0.0000 0.0000 2698.3240 6219.8000 298.0374 3521.4760 6251.5093 300.4269 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2340000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2340000 WRITING COORDINATES TO RESTART FILE AT STEP 2340000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2340000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2340200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2340200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2340200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2340200 0 0 0 0 0 0 0 0 0 TIMING: 2340200 CPU: 9412, 0.0042024/step Wall: 9412, 0.0042024/step, 0.18654 hours remaining, 114.812500 MB of memory in use. ENERGY: 2340200 670.8434 1861.8242 1942.7066 96.7815 1.9618 -1057.0474 0.0000 0.0000 2669.0101 6186.0803 294.7996 3517.0701 6219.6961 298.2825 LDB: ============= START OF LOAD BALANCING ============== 9414.96 LDB: ============== END OF LOAD BALANCING =============== 9414.96 LDB: =============== DONE WITH MIGRATION ================ 9414.96 LDB: ============= START OF LOAD BALANCING ============== 9415.36 LDB: ============== END OF LOAD BALANCING =============== 9415.36 LDB: =============== DONE WITH MIGRATION ================ 9415.36 PRESSURE: 2340400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2340400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2340400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2340400 0 0 0 0 0 0 0 0 0 TIMING: 2340400 CPU: 9412.79, 0.00395851/step Wall: 9412.79, 0.00395851/step, 0.175494 hours remaining, 114.812500 MB of memory in use. ENERGY: 2340400 647.6636 1802.7961 1942.4085 106.6414 1.7288 -1043.0439 0.0000 0.0000 2698.0219 6156.2164 298.0040 3458.1945 6188.7876 296.8071 PRESSURE: 2340600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2340600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2340600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2340600 0 0 0 0 0 0 0 0 0 TIMING: 2340600 CPU: 9413.59, 0.00395512/step Wall: 9413.59, 0.00395512/step, 0.175124 hours remaining, 114.812500 MB of memory in use. ENERGY: 2340600 625.2428 1846.3906 1959.3875 97.2843 1.6447 -1072.6004 0.0000 0.0000 2726.5637 6183.9133 301.1566 3457.3496 6220.4394 298.5126 PRESSURE: 2340800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2340800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2340800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2340800 0 0 0 0 0 0 0 0 0 TIMING: 2340800 CPU: 9414.38, 0.00394688/step Wall: 9414.38, 0.00394687/step, 0.174539 hours remaining, 114.812500 MB of memory in use. ENERGY: 2340800 672.8964 1816.5078 1948.8022 100.8714 1.0655 -1056.6325 0.0000 0.0000 2704.5025 6188.0134 298.7198 3483.5108 6220.4633 299.5085 PRESSURE: 2341000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2341000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2341000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2341000 0 0 0 0 0 0 0 0 0 TIMING: 2341000 CPU: 9415.17, 0.00395486/step Wall: 9415.17, 0.00395487/step, 0.174673 hours remaining, 114.812500 MB of memory in use. ENERGY: 2341000 662.5170 1856.5715 1923.7722 103.8982 2.6854 -1080.1094 0.0000 0.0000 2735.1720 6204.5069 302.1074 3469.3349 6239.8048 298.4829 PRESSURE: 2341200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2341200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2341200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2341200 0 0 0 0 0 0 0 0 0 TIMING: 2341200 CPU: 9415.96, 0.00395295/step Wall: 9415.96, 0.00395295/step, 0.174369 hours remaining, 114.812500 MB of memory in use. ENERGY: 2341200 624.8270 1841.0869 1925.5963 107.8531 1.2235 -1064.3173 0.0000 0.0000 2733.6138 6169.8834 301.9353 3436.2695 6205.5470 299.9720 PRESSURE: 2341400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2341400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2341400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2341400 0 0 0 0 0 0 0 0 0 TIMING: 2341400 CPU: 9416.75, 0.00395291/step Wall: 9416.75, 0.00395291/step, 0.174148 hours remaining, 114.812500 MB of memory in use. ENERGY: 2341400 647.3077 1871.1989 1944.7752 98.0900 0.0351 -1067.4349 0.0000 0.0000 2676.5422 6170.5142 295.6315 3493.9719 6200.5735 296.2717 PRESSURE: 2341600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2341600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2341600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2341600 0 0 0 0 0 0 0 0 0 TIMING: 2341600 CPU: 9417.54, 0.00395545/step Wall: 9417.54, 0.00395545/step, 0.17404 hours remaining, 114.812500 MB of memory in use. ENERGY: 2341600 648.2796 1853.8938 1950.3330 110.6625 1.5826 -1047.2564 0.0000 0.0000 2714.6760 6232.1711 299.8435 3517.4951 6263.9553 298.8810 PRESSURE: 2341800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2341800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2341800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2341800 0 0 0 0 0 0 0 0 0 TIMING: 2341800 CPU: 9418.33, 0.00394592/step Wall: 9418.33, 0.00394592/step, 0.173401 hours remaining, 114.812500 MB of memory in use. ENERGY: 2341800 690.1274 1842.9045 1949.2274 115.7042 2.3650 -1090.0733 0.0000 0.0000 2768.0408 6278.2959 305.7378 3510.2551 6314.5031 303.0203 PRESSURE: 2342000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2342000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2342000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2342000 0 0 0 0 0 0 0 0 0 TIMING: 2342000 CPU: 9419.12, 0.00396628/step Wall: 9419.12, 0.00396628/step, 0.174075 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2342000 654.2849 1823.0488 1957.4887 100.2947 2.8298 -1055.3560 0.0000 0.0000 2747.4755 6230.0663 303.4663 3482.5909 6263.2987 300.9664 PRESSURE: 2342200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2342200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2342200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2342200 0 0 0 0 0 0 0 0 0 TIMING: 2342200 CPU: 9419.91, 0.00395187/step Wall: 9419.91, 0.00395187/step, 0.173223 hours remaining, 114.812500 MB of memory in use. ENERGY: 2342200 597.1381 1870.9741 1984.9124 115.2900 1.9505 -1088.2493 0.0000 0.0000 2682.2494 6164.2652 296.2619 3482.0158 6198.2967 298.3110 PRESSURE: 2342400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2342400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2342400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2342400 0 0 0 0 0 0 0 0 0 TIMING: 2342400 CPU: 9420.7, 0.00395304/step Wall: 9420.7, 0.00395304/step, 0.173055 hours remaining, 114.812500 MB of memory in use. ENERGY: 2342400 645.0437 1857.3461 1996.2794 99.8437 2.1297 -1098.6484 0.0000 0.0000 2723.8932 6225.8875 300.8616 3501.9943 6259.0944 299.7666 PRESSURE: 2342600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2342600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2342600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2342600 0 0 0 0 0 0 0 0 0 TIMING: 2342600 CPU: 9421.49, 0.00394797/step Wall: 9421.49, 0.00394797/step, 0.172614 hours remaining, 114.812500 MB of memory in use. ENERGY: 2342600 684.9342 1786.0698 1966.6486 114.3500 2.1947 -1071.9902 0.0000 0.0000 2701.2820 6183.4891 298.3641 3482.2071 6216.9132 299.5944 PRESSURE: 2342800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2342800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2342800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2342800 0 0 0 0 0 0 0 0 0 TIMING: 2342800 CPU: 9422.28, 0.00395197/step Wall: 9422.28, 0.00395197/step, 0.172569 hours remaining, 114.812500 MB of memory in use. ENERGY: 2342800 653.3743 1830.3689 1978.0180 98.3338 2.5012 -1075.3435 0.0000 0.0000 2723.2123 6210.4650 300.7864 3487.2527 6241.7526 298.4341 PRESSURE: 2343000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2343000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2343000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2343000 0 0 0 0 0 0 0 0 0 TIMING: 2343000 CPU: 9423.07, 0.00395043/step Wall: 9423.07, 0.00395043/step, 0.172283 hours remaining, 114.812500 MB of memory in use. ENERGY: 2343000 689.4153 1861.2253 1957.8597 105.2687 0.5691 -1105.4840 0.0000 0.0000 2693.3869 6202.2410 297.4921 3508.8541 6232.9436 299.8812 PRESSURE: 2343200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2343200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2343200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2343200 0 0 0 0 0 0 0 0 0 TIMING: 2343200 CPU: 9423.86, 0.00395007/step Wall: 9423.86, 0.00395007/step, 0.172048 hours remaining, 114.812500 MB of memory in use. ENERGY: 2343200 630.1836 1847.8025 1946.7483 105.5074 1.2550 -1072.2918 0.0000 0.0000 2712.6874 6171.8923 299.6239 3459.2050 6203.9500 300.2910 PRESSURE: 2343400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2343400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2343400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2343400 0 0 0 0 0 0 0 0 0 TIMING: 2343400 CPU: 9424.65, 0.00395073/step Wall: 9424.65, 0.00395072/step, 0.171857 hours remaining, 114.812500 MB of memory in use. ENERGY: 2343400 666.1136 1843.6076 1959.3660 105.8057 1.6125 -1089.8402 0.0000 0.0000 2654.0732 6140.7383 293.1498 3486.6651 6172.6616 297.3802 PRESSURE: 2343600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2343600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2343600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2343600 0 0 0 0 0 0 0 0 0 TIMING: 2343600 CPU: 9425.44, 0.00394483/step Wall: 9425.44, 0.00394484/step, 0.171381 hours remaining, 114.812500 MB of memory in use. ENERGY: 2343600 642.6184 1891.0587 1967.3829 107.6608 0.4632 -1120.1430 0.0000 0.0000 2698.7689 6187.8099 298.0865 3489.0410 6220.0123 298.2620 PRESSURE: 2343800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2343800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2343800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2343800 0 0 0 0 0 0 0 0 0 TIMING: 2343800 CPU: 9426.94, 0.00750023/step Wall: 9426.94, 0.00750023/step, 0.325427 hours remaining, 114.812500 MB of memory in use. ENERGY: 2343800 661.0484 1809.9950 1976.3832 109.9665 0.6016 -1099.9698 0.0000 0.0000 2741.0980 6199.1228 302.7619 3458.0248 6230.9743 300.8641 PRESSURE: 2344000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2344000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2344000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2344000 0 0 0 0 0 0 0 0 0 TIMING: 2344000 CPU: 9427.74, 0.00397416/step Wall: 9427.74, 0.00397416/step, 0.172214 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2344000 661.1488 1902.7678 1933.6778 108.0778 1.1038 -1104.0618 0.0000 0.0000 2708.8690 6211.5833 299.2021 3502.7143 6242.1240 300.2948 PRESSURE: 2344200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2344200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2344200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2344200 0 0 0 0 0 0 0 0 0 TIMING: 2344200 CPU: 9428.53, 0.00395051/step Wall: 9428.53, 0.00395051/step, 0.170969 hours remaining, 114.812500 MB of memory in use. ENERGY: 2344200 666.4536 1871.0965 1940.7846 111.2504 1.9525 -1083.3262 0.0000 0.0000 2741.4646 6249.6759 302.8024 3508.2113 6281.2035 301.9806 LDB: ============= START OF LOAD BALANCING ============== 9431.48 LDB: ============== END OF LOAD BALANCING =============== 9431.48 LDB: =============== DONE WITH MIGRATION ================ 9431.48 LDB: ============= START OF LOAD BALANCING ============== 9431.88 LDB: ============== END OF LOAD BALANCING =============== 9431.88 LDB: =============== DONE WITH MIGRATION ================ 9431.88 PRESSURE: 2344400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2344400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2344400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2344400 0 0 0 0 0 0 0 0 0 TIMING: 2344400 CPU: 9429.32, 0.00395135/step Wall: 9429.32, 0.00395135/step, 0.170786 hours remaining, 114.812500 MB of memory in use. ENERGY: 2344400 669.9903 1862.7949 1956.7857 107.1739 3.3741 -1093.5210 0.0000 0.0000 2722.9066 6229.5044 300.7526 3506.5978 6262.6144 301.1200 PRESSURE: 2344600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2344600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2344600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2344600 0 0 0 0 0 0 0 0 0 TIMING: 2344600 CPU: 9430.11, 0.00395156/step Wall: 9430.11, 0.00395156/step, 0.170576 hours remaining, 114.812500 MB of memory in use. ENERGY: 2344600 707.4531 1826.8897 1955.2693 107.0755 1.6864 -1096.7204 0.0000 0.0000 2761.3239 6262.9774 304.9959 3501.6535 6295.0079 303.1655 PRESSURE: 2344800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2344800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2344800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2344800 0 0 0 0 0 0 0 0 0 TIMING: 2344800 CPU: 9430.9, 0.0039501/step Wall: 9430.9, 0.0039501/step, 0.170293 hours remaining, 114.812500 MB of memory in use. ENERGY: 2344800 652.1586 1865.5650 1965.5851 111.2376 0.4945 -1059.5183 0.0000 0.0000 2715.5236 6251.0461 299.9371 3535.5225 6285.3712 301.2832 PRESSURE: 2345000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2345000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2345000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2345000 0 0 0 0 0 0 0 0 0 TIMING: 2345000 CPU: 9431.69, 0.00395156/step Wall: 9431.69, 0.00395156/step, 0.170137 hours remaining, 114.812500 MB of memory in use. ENERGY: 2345000 689.8533 1865.0295 1960.1453 101.6337 1.3688 -1100.5066 0.0000 0.0000 2759.4889 6277.0129 304.7932 3517.5241 6310.3606 303.3038 PRESSURE: 2345200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2345200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2345200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2345200 0 0 0 0 0 0 0 0 0 TIMING: 2345200 CPU: 9432.48, 0.00394593/step Wall: 9432.48, 0.00394593/step, 0.169675 hours remaining, 114.812500 MB of memory in use. ENERGY: 2345200 662.8195 1873.9305 1957.5969 110.5127 1.9737 -1073.5755 0.0000 0.0000 2718.1758 6251.4336 300.2301 3533.2578 6287.4734 303.4223 PRESSURE: 2345400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2345400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2345400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2345400 0 0 0 0 0 0 0 0 0 TIMING: 2345400 CPU: 9433.27, 0.00395112/step Wall: 9433.27, 0.00395112/step, 0.169679 hours remaining, 114.812500 MB of memory in use. ENERGY: 2345400 683.3166 1837.9040 1962.2353 106.7587 1.5780 -1063.4366 0.0000 0.0000 2712.6142 6240.9703 299.6158 3528.3561 6272.5412 301.2123 PRESSURE: 2345600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2345600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2345600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2345600 0 0 0 0 0 0 0 0 0 TIMING: 2345600 CPU: 9434.06, 0.00395093/step Wall: 9434.06, 0.00395093/step, 0.169451 hours remaining, 114.812500 MB of memory in use. ENERGY: 2345600 653.6115 1842.4591 1989.1120 113.6051 1.4251 -1068.2046 0.0000 0.0000 2760.0742 6292.0825 304.8579 3532.0083 6327.5975 305.2471 PRESSURE: 2345800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2345800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2345800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2345800 0 0 0 0 0 0 0 0 0 TIMING: 2345800 CPU: 9434.85, 0.00394938/step Wall: 9434.85, 0.00394938/step, 0.169165 hours remaining, 114.812500 MB of memory in use. ENERGY: 2345800 646.5861 1892.5885 1985.1095 103.1778 2.1327 -1084.8886 0.0000 0.0000 2728.1118 6272.8178 301.3276 3544.7059 6304.6802 301.8192 PRESSURE: 2346000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2346000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2346000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2346000 0 0 0 0 0 0 0 0 0 TIMING: 2346000 CPU: 9435.64, 0.00395149/step Wall: 9435.64, 0.00395149/step, 0.169036 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2346000 664.0410 1864.5745 1961.0708 114.1949 1.7915 -1086.0790 0.0000 0.0000 2753.2257 6272.8192 304.1014 3519.5936 6306.6518 303.5628 PRESSURE: 2346200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2346200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2346200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2346200 0 0 0 0 0 0 0 0 0 TIMING: 2346200 CPU: 9436.43, 0.00394614/step Wall: 9436.43, 0.00394614/step, 0.168588 hours remaining, 114.812500 MB of memory in use. ENERGY: 2346200 673.8195 1849.2880 1937.1585 96.6607 1.4543 -1052.6103 0.0000 0.0000 2755.2578 6261.0284 304.3259 3505.7706 6293.2406 302.5412 PRESSURE: 2346400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2346400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2346400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2346400 0 0 0 0 0 0 0 0 0 TIMING: 2346400 CPU: 9437.22, 0.00395426/step Wall: 9437.22, 0.00395426/step, 0.168715 hours remaining, 114.812500 MB of memory in use. ENERGY: 2346400 694.8460 1837.1158 1941.7980 117.0492 1.9910 -1033.3974 0.0000 0.0000 2716.4625 6275.8651 300.0409 3559.4026 6307.0375 302.2780 PRESSURE: 2346600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2346600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2346600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2346600 0 0 0 0 0 0 0 0 0 TIMING: 2346600 CPU: 9438.01, 0.00395071/step Wall: 9438.01, 0.00395071/step, 0.168344 hours remaining, 114.812500 MB of memory in use. ENERGY: 2346600 675.1701 1849.5415 1982.7620 117.6817 0.9467 -1063.1811 0.0000 0.0000 2724.4448 6287.3656 300.9225 3562.9208 6323.5256 303.2037 PRESSURE: 2346800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2346800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2346800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2346800 0 0 0 0 0 0 0 0 0 TIMING: 2346800 CPU: 9438.8, 0.00395023/step Wall: 9438.8, 0.00395023/step, 0.168104 hours remaining, 114.812500 MB of memory in use. ENERGY: 2346800 670.2984 1850.8681 1964.5845 106.6897 2.3084 -1091.5405 0.0000 0.0000 2741.5231 6244.7316 302.8089 3503.2085 6275.9313 301.8358 PRESSURE: 2347000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2347000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2347000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2347000 0 0 0 0 0 0 0 0 0 TIMING: 2347000 CPU: 9439.59, 0.00394948/step Wall: 9439.59, 0.00394948/step, 0.167853 hours remaining, 114.812500 MB of memory in use. ENERGY: 2347000 666.5977 1868.3853 1955.6104 104.1771 2.0539 -1102.2331 0.0000 0.0000 2751.8790 6246.4704 303.9527 3494.5913 6280.3885 302.0606 PRESSURE: 2347200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2347200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2347200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2347200 0 0 0 0 0 0 0 0 0 TIMING: 2347200 CPU: 9440.38, 0.00394442/step Wall: 9440.38, 0.00394442/step, 0.167419 hours remaining, 114.812500 MB of memory in use. ENERGY: 2347200 650.1631 1858.9421 2005.9355 94.2554 1.1338 -1103.2662 0.0000 0.0000 2693.5041 6200.6678 297.5050 3507.1637 6232.9818 299.8929 PRESSURE: 2347400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2347400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2347400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2347400 0 0 0 0 0 0 0 0 0 TIMING: 2347400 CPU: 9441.17, 0.00395072/step Wall: 9441.17, 0.00395072/step, 0.167467 hours remaining, 114.812500 MB of memory in use. ENERGY: 2347400 641.2307 1914.5315 1970.9273 110.4711 1.3941 -1094.4463 0.0000 0.0000 2712.5660 6256.6745 299.6105 3544.1084 6292.6381 300.1251 PRESSURE: 2347600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2347600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2347600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2347600 0 0 0 0 0 0 0 0 0 TIMING: 2347600 CPU: 9441.96, 0.00394992/step Wall: 9441.96, 0.00394992/step, 0.167213 hours remaining, 114.812500 MB of memory in use. ENERGY: 2347600 658.7416 1824.1576 1966.9806 105.9706 2.5235 -1069.1022 0.0000 0.0000 2756.6220 6245.8936 304.4766 3489.2716 6276.6552 303.6941 PRESSURE: 2347800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2347800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2347800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2347800 0 0 0 0 0 0 0 0 0 TIMING: 2347800 CPU: 9442.75, 0.00394992/step Wall: 9442.75, 0.00394992/step, 0.166994 hours remaining, 114.812500 MB of memory in use. ENERGY: 2347800 663.3848 1789.9807 1956.9881 96.7312 1.4498 -1054.6559 0.0000 0.0000 2736.5065 6190.3851 302.2548 3453.8786 6224.7326 301.2822 PRESSURE: 2348000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2348000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2348000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2348000 0 0 0 0 0 0 0 0 0 TIMING: 2348000 CPU: 9443.54, 0.00394786/step Wall: 9443.54, 0.00394786/step, 0.166687 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2348000 649.6532 1887.7920 1987.0614 96.7029 0.6796 -1083.2999 0.0000 0.0000 2669.3375 6207.9267 294.8358 3538.5892 6238.9746 297.5378 PRESSURE: 2348200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2348200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2348200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2348200 0 0 0 0 0 0 0 0 0 TIMING: 2348200 CPU: 9444.32, 0.00394292/step Wall: 9444.32, 0.00394292/step, 0.16626 hours remaining, 114.812500 MB of memory in use. ENERGY: 2348200 656.1952 1853.0382 1942.3938 117.5478 3.1166 -1092.2622 0.0000 0.0000 2717.6867 6197.7161 300.1761 3480.0294 6231.8012 297.8025 LDB: ============= START OF LOAD BALANCING ============== 9447.28 LDB: ============== END OF LOAD BALANCING =============== 9447.28 LDB: =============== DONE WITH MIGRATION ================ 9447.28 LDB: ============= START OF LOAD BALANCING ============== 9447.68 LDB: ============== END OF LOAD BALANCING =============== 9447.68 LDB: =============== DONE WITH MIGRATION ================ 9447.68 PRESSURE: 2348400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2348400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2348400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2348400 0 0 0 0 0 0 0 0 0 TIMING: 2348400 CPU: 9445.11, 0.0039544/step Wall: 9445.11, 0.0039544/step, 0.166524 hours remaining, 114.812500 MB of memory in use. ENERGY: 2348400 679.3789 1875.8722 1960.0496 111.8209 1.2294 -1110.8765 0.0000 0.0000 2719.0143 6236.4888 300.3227 3517.4745 6268.7291 301.2648 PRESSURE: 2348600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2348600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2348600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2348600 0 0 0 0 0 0 0 0 0 TIMING: 2348600 CPU: 9445.91, 0.00395191/step Wall: 9445.91, 0.00395191/step, 0.1662 hours remaining, 114.812500 MB of memory in use. ENERGY: 2348600 706.8751 1803.6099 1985.5306 112.3759 2.7960 -1069.3620 0.0000 0.0000 2723.5976 6265.4231 300.8289 3541.8255 6297.1362 302.3290 PRESSURE: 2348800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2348800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2348800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2348800 0 0 0 0 0 0 0 0 0 TIMING: 2348800 CPU: 9446.7, 0.00395147/step Wall: 9446.7, 0.00395147/step, 0.165962 hours remaining, 114.812500 MB of memory in use. ENERGY: 2348800 696.8230 1840.9310 1949.3889 116.1421 2.9536 -1106.4726 0.0000 0.0000 2782.1053 6281.8712 307.2913 3499.7658 6314.1447 304.0575 PRESSURE: 2349000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2349000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2349000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2349000 0 0 0 0 0 0 0 0 0 TIMING: 2349000 CPU: 9447.48, 0.00394628/step Wall: 9447.48, 0.00394628/step, 0.165524 hours remaining, 114.812500 MB of memory in use. ENERGY: 2349000 663.4235 1874.1943 1973.3881 118.8514 1.6481 -1088.6651 0.0000 0.0000 2748.0120 6290.8523 303.5256 3542.8404 6325.2527 304.5868 PRESSURE: 2349200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2349200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2349200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2349200 0 0 0 0 0 0 0 0 0 TIMING: 2349200 CPU: 9448.28, 0.00395135/step Wall: 9448.28, 0.00395135/step, 0.165518 hours remaining, 114.812500 MB of memory in use. ENERGY: 2349200 656.5757 1894.9817 1973.2802 114.2505 2.8718 -1083.7928 0.0000 0.0000 2716.0771 6274.2443 299.9983 3558.1672 6306.5086 302.9282 PRESSURE: 2349400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2349400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2349400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2349400 0 0 0 0 0 0 0 0 0 TIMING: 2349400 CPU: 9449.06, 0.00394969/step Wall: 9449.06, 0.00394969/step, 0.165228 hours remaining, 114.812500 MB of memory in use. ENERGY: 2349400 678.3756 1854.5293 1969.7937 101.9195 2.9199 -1082.7520 0.0000 0.0000 2733.1085 6257.8944 301.8794 3524.7860 6289.7638 303.6796 PRESSURE: 2349600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2349600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2349600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2349600 0 0 0 0 0 0 0 0 0 TIMING: 2349600 CPU: 9449.85, 0.00394864/step Wall: 9449.85, 0.00394864/step, 0.164966 hours remaining, 114.812500 MB of memory in use. ENERGY: 2349600 680.9470 1880.1718 1964.7188 102.4704 2.4781 -1063.1359 0.0000 0.0000 2677.4645 6245.1147 295.7334 3567.6502 6276.8965 301.3401 PRESSURE: 2349800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2349800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2349800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2349800 0 0 0 0 0 0 0 0 0 TIMING: 2349800 CPU: 9450.64, 0.00394998/step Wall: 9450.64, 0.00394998/step, 0.164802 hours remaining, 114.812500 MB of memory in use. ENERGY: 2349800 656.8062 1870.8134 1969.8783 98.4946 2.9750 -1087.0251 0.0000 0.0000 2750.1648 6262.1072 303.7634 3511.9424 6294.9448 302.0055 PRESSURE: 2350000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2350000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2350000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2350000 0 0 0 0 0 0 0 0 0 TIMING: 2350000 CPU: 9451.43, 0.00394704/step Wall: 9451.43, 0.00394704/step, 0.16446 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2350000 661.9942 1817.6524 1972.4190 123.0374 2.1344 -1115.7511 0.0000 0.0000 2796.5497 6258.0360 308.8867 3461.4864 6294.2433 302.4365 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2350000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2350000 WRITING COORDINATES TO RESTART FILE AT STEP 2350000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2350000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2350200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2350200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2350200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2350200 0 0 0 0 0 0 0 0 0 TIMING: 2350200 CPU: 9452.26, 0.00414874/step Wall: 9452.26, 0.00414874/step, 0.172634 hours remaining, 114.812500 MB of memory in use. ENERGY: 2350200 645.5608 1863.3246 1947.4632 104.5450 2.9694 -1079.9112 0.0000 0.0000 2736.1551 6220.1069 302.2160 3483.9518 6252.8044 301.4327 PRESSURE: 2350400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2350400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2350400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2350400 0 0 0 0 0 0 0 0 0 TIMING: 2350400 CPU: 9453.05, 0.00395209/step Wall: 9453.05, 0.00395209/step, 0.164231 hours remaining, 114.812500 MB of memory in use. ENERGY: 2350400 643.1558 1816.3199 1982.5160 98.2041 2.9514 -1042.8779 0.0000 0.0000 2781.7923 6282.0616 307.2567 3500.2693 6317.2876 302.3644 PRESSURE: 2350600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2350600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2350600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2350600 0 0 0 0 0 0 0 0 0 TIMING: 2350600 CPU: 9453.84, 0.00395153/step Wall: 9453.84, 0.00395153/step, 0.163989 hours remaining, 114.812500 MB of memory in use. ENERGY: 2350600 650.3880 1866.4531 1990.6394 110.7704 3.0533 -1106.3943 0.0000 0.0000 2749.3425 6264.2523 303.6725 3514.9098 6299.1945 303.3594 PRESSURE: 2350800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2350800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2350800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2350800 0 0 0 0 0 0 0 0 0 TIMING: 2350800 CPU: 9454.64, 0.00395267/step Wall: 9454.64, 0.00395267/step, 0.163816 hours remaining, 114.812500 MB of memory in use. ENERGY: 2350800 644.0020 1824.2618 1966.5348 103.6229 2.5503 -1074.0887 0.0000 0.0000 2726.3281 6193.2113 301.1305 3466.8831 6225.6886 299.4926 PRESSURE: 2351000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2351000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2351000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2351000 0 0 0 0 0 0 0 0 0 TIMING: 2351000 CPU: 9455.42, 0.00394885/step Wall: 9455.42, 0.00394885/step, 0.163439 hours remaining, 114.812500 MB of memory in use. ENERGY: 2351000 694.2753 1815.5977 1973.7347 111.8842 1.7419 -1104.1594 0.0000 0.0000 2739.5896 6232.6640 302.5953 3493.0744 6267.6446 298.1265 PRESSURE: 2351200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2351200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2351200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2351200 0 0 0 0 0 0 0 0 0 TIMING: 2351200 CPU: 9456.22, 0.0039532/step Wall: 9456.22, 0.0039532/step, 0.163399 hours remaining, 114.812500 MB of memory in use. ENERGY: 2351200 673.3111 1863.8937 1982.4478 95.9934 2.8463 -1083.5797 0.0000 0.0000 2729.2496 6264.1623 301.4532 3534.9127 6295.3592 301.1328 PRESSURE: 2351400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2351400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2351400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2351400 0 0 0 0 0 0 0 0 0 TIMING: 2351400 CPU: 9457.01, 0.00395236/step Wall: 9457.01, 0.00395236/step, 0.163145 hours remaining, 114.812500 MB of memory in use. ENERGY: 2351400 650.1811 1837.6678 1940.6707 122.1828 1.3928 -1076.8242 0.0000 0.0000 2776.0082 6251.2792 306.6178 3475.2709 6287.5549 303.0807 PRESSURE: 2351600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2351600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2351600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2351600 0 0 0 0 0 0 0 0 0 TIMING: 2351600 CPU: 9457.8, 0.00395252/step Wall: 9457.8, 0.00395252/step, 0.162932 hours remaining, 114.812500 MB of memory in use. ENERGY: 2351600 672.7308 1838.4255 1961.8587 108.5043 2.5616 -1088.2163 0.0000 0.0000 2721.1855 6217.0501 300.5625 3495.8646 6253.3229 300.3587 PRESSURE: 2351800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2351800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2351800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2351800 0 0 0 0 0 0 0 0 0 TIMING: 2351800 CPU: 9458.59, 0.00395988/step Wall: 9458.59, 0.00395988/step, 0.163015 hours remaining, 114.812500 MB of memory in use. ENERGY: 2351800 648.1005 1845.2952 1936.5473 104.7985 2.2463 -1039.9738 0.0000 0.0000 2729.9651 6226.9791 301.5322 3497.0140 6258.8053 301.1550 PRESSURE: 2352000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2352000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2352000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2352000 0 0 0 0 0 0 0 0 0 TIMING: 2352000 CPU: 9459.38, 0.00394659/step Wall: 9459.38, 0.00394659/step, 0.162249 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2352000 653.7892 1827.5813 1967.0997 120.2086 3.4367 -1096.2167 0.0000 0.0000 2701.4145 6177.3133 298.3788 3475.8989 6209.9074 297.2217 PRESSURE: 2352200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2352200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2352200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2352200 0 0 0 0 0 0 0 0 0 TIMING: 2352200 CPU: 9460.17, 0.00395375/step Wall: 9460.17, 0.00395375/step, 0.162324 hours remaining, 114.812500 MB of memory in use. ENERGY: 2352200 659.6529 1835.1116 1946.1946 104.5380 2.3865 -1074.3627 0.0000 0.0000 2734.7368 6208.2576 302.0593 3473.5208 6241.6603 298.7931 LDB: ============= START OF LOAD BALANCING ============== 9463.13 LDB: ============== END OF LOAD BALANCING =============== 9463.13 LDB: =============== DONE WITH MIGRATION ================ 9463.13 LDB: ============= START OF LOAD BALANCING ============== 9463.52 LDB: ============== END OF LOAD BALANCING =============== 9463.52 LDB: =============== DONE WITH MIGRATION ================ 9463.52 PRESSURE: 2352400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2352400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2352400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2352400 0 0 0 0 0 0 0 0 0 TIMING: 2352400 CPU: 9460.96, 0.00395838/step Wall: 9460.96, 0.00395838/step, 0.162294 hours remaining, 114.812500 MB of memory in use. ENERGY: 2352400 650.5717 1850.9259 1948.2402 98.8216 1.9280 -1051.6780 0.0000 0.0000 2702.3069 6201.1164 298.4773 3498.8095 6232.5151 299.2172 PRESSURE: 2352600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2352600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2352600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2352600 0 0 0 0 0 0 0 0 0 TIMING: 2352600 CPU: 9461.75, 0.00395197/step Wall: 9461.75, 0.00395197/step, 0.161811 hours remaining, 114.812500 MB of memory in use. ENERGY: 2352600 674.0186 1843.5083 1965.4710 110.2342 2.0367 -1081.0055 0.0000 0.0000 2669.1999 6183.4632 294.8206 3514.2633 6214.9160 297.6350 PRESSURE: 2352800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2352800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2352800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2352800 0 0 0 0 0 0 0 0 0 TIMING: 2352800 CPU: 9462.54, 0.00394655/step Wall: 9462.54, 0.00394655/step, 0.16137 hours remaining, 114.812500 MB of memory in use. ENERGY: 2352800 622.4509 1846.9556 1933.6028 108.8306 2.9373 -1032.4833 0.0000 0.0000 2699.1927 6181.4867 298.1334 3482.2940 6214.1507 298.1366 PRESSURE: 2353000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2353000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2353000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2353000 0 0 0 0 0 0 0 0 0 TIMING: 2353000 CPU: 9463.35, 0.0040282/step Wall: 9463.35, 0.0040282/step, 0.164485 hours remaining, 114.812500 MB of memory in use. ENERGY: 2353000 671.7703 1810.6474 1954.9650 113.7605 3.2612 -1047.9828 0.0000 0.0000 2706.0693 6212.4909 298.8929 3506.4216 6245.0210 298.7576 PRESSURE: 2353200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2353200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2353200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2353200 0 0 0 0 0 0 0 0 0 TIMING: 2353200 CPU: 9464.14, 0.00395066/step Wall: 9464.14, 0.00395066/step, 0.161099 hours remaining, 114.812500 MB of memory in use. ENERGY: 2353200 651.1396 1843.8766 1976.4254 92.9818 2.8607 -1057.8479 0.0000 0.0000 2714.0088 6223.4451 299.7698 3509.4363 6254.9549 300.8924 PRESSURE: 2353400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2353400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2353400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2353400 0 0 0 0 0 0 0 0 0 TIMING: 2353400 CPU: 9464.93, 0.00394992/step Wall: 9464.93, 0.00394992/step, 0.16085 hours remaining, 114.812500 MB of memory in use. ENERGY: 2353400 670.9212 1847.0948 1983.4484 95.9027 2.3623 -1111.8565 0.0000 0.0000 2735.5736 6223.4465 302.1517 3487.8729 6254.6269 300.2058 PRESSURE: 2353600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2353600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2353600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2353600 0 0 0 0 0 0 0 0 0 TIMING: 2353600 CPU: 9465.72, 0.00394904/step Wall: 9465.72, 0.00394904/step, 0.160594 hours remaining, 114.812500 MB of memory in use. ENERGY: 2353600 681.3520 1853.1205 1942.0429 110.4576 2.0692 -1085.4785 0.0000 0.0000 2741.6351 6245.1988 302.8212 3503.5637 6276.6456 302.0447 PRESSURE: 2353800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2353800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2353800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2353800 0 0 0 0 0 0 0 0 0 TIMING: 2353800 CPU: 9466.51, 0.00396048/step Wall: 9466.51, 0.00396048/step, 0.160839 hours remaining, 114.812500 MB of memory in use. ENERGY: 2353800 654.5625 1859.1886 1949.9722 99.0258 2.0879 -1047.2932 0.0000 0.0000 2718.1755 6235.7195 300.2301 3517.5439 6268.1145 300.1601 PRESSURE: 2354000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2354000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2354000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2354000 0 0 0 0 0 0 0 0 0 TIMING: 2354000 CPU: 9467.3, 0.00394718/step Wall: 9467.3, 0.00394718/step, 0.16008 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2354000 621.2684 1855.9079 1951.8721 104.5490 3.2207 -1070.3362 0.0000 0.0000 2755.1345 6221.6163 304.3123 3466.4819 6256.1198 300.7578 PRESSURE: 2354200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2354200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2354200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2354200 0 0 0 0 0 0 0 0 0 TIMING: 2354200 CPU: 9468.09, 0.00394852/step Wall: 9468.09, 0.00394852/step, 0.159915 hours remaining, 114.812500 MB of memory in use. ENERGY: 2354200 663.8877 1824.3052 1963.6764 102.1411 1.8493 -1060.7630 0.0000 0.0000 2695.6521 6190.7489 297.7423 3495.0968 6224.5320 300.4166 PRESSURE: 2354400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2354400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2354400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2354400 0 0 0 0 0 0 0 0 0 TIMING: 2354400 CPU: 9468.88, 0.00394817/step Wall: 9468.88, 0.00394817/step, 0.159681 hours remaining, 114.812500 MB of memory in use. ENERGY: 2354400 653.3113 1802.1796 1951.1825 96.0234 2.1179 -1072.7813 0.0000 0.0000 2775.1712 6207.2046 306.5254 3432.0334 6243.9826 298.3779 PRESSURE: 2354600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2354600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2354600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2354600 0 0 0 0 0 0 0 0 0 TIMING: 2354600 CPU: 9469.67, 0.0039495/step Wall: 9469.67, 0.0039495/step, 0.159516 hours remaining, 114.812500 MB of memory in use. ENERGY: 2354600 655.5222 1820.3310 1996.4542 114.1646 2.2626 -1088.1002 0.0000 0.0000 2693.9149 6194.5492 297.5504 3500.6344 6228.2209 298.3649 PRESSURE: 2354800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2354800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2354800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2354800 0 0 0 0 0 0 0 0 0 TIMING: 2354800 CPU: 9470.46, 0.00395173/step Wall: 9470.46, 0.00395173/step, 0.159386 hours remaining, 114.812500 MB of memory in use. ENERGY: 2354800 694.4159 1784.6810 1989.2477 113.5526 1.5816 -1106.5121 0.0000 0.0000 2766.3589 6243.3256 305.5520 3476.9668 6278.9708 300.9757 PRESSURE: 2355000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2355000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2355000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2355000 0 0 0 0 0 0 0 0 0 TIMING: 2355000 CPU: 9471.25, 0.0039495/step Wall: 9471.25, 0.0039495/step, 0.159077 hours remaining, 114.812500 MB of memory in use. ENERGY: 2355000 641.9629 1829.6423 1958.2283 112.3862 1.3597 -1044.3333 0.0000 0.0000 2728.8804 6228.1265 301.4124 3499.2461 6261.4124 300.9502 PRESSURE: 2355200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2355200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2355200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2355200 0 0 0 0 0 0 0 0 0 TIMING: 2355200 CPU: 9472.04, 0.00394796/step Wall: 9472.04, 0.00394796/step, 0.158796 hours remaining, 114.812500 MB of memory in use. ENERGY: 2355200 647.9432 1884.8562 1969.4317 104.8990 1.7086 -1073.8849 0.0000 0.0000 2700.6087 6235.5624 298.2898 3534.9537 6267.0883 300.3088 PRESSURE: 2355400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2355400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2355400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2355400 0 0 0 0 0 0 0 0 0 TIMING: 2355400 CPU: 9472.83, 0.00394761/step Wall: 9472.83, 0.00394761/step, 0.158562 hours remaining, 114.812500 MB of memory in use. ENERGY: 2355400 708.1049 1851.8769 1975.1623 116.1991 1.4071 -1095.7668 0.0000 0.0000 2713.5080 6270.4915 299.7145 3556.9836 6303.1417 300.7136 PRESSURE: 2355600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2355600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2355600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2355600 0 0 0 0 0 0 0 0 0 TIMING: 2355600 CPU: 9473.62, 0.00394817/step Wall: 9473.62, 0.00394817/step, 0.158366 hours remaining, 114.812500 MB of memory in use. ENERGY: 2355600 673.5028 1880.0957 1970.6282 105.4567 1.2600 -1094.1308 0.0000 0.0000 2715.2839 6252.0964 299.9107 3536.8125 6286.0110 302.8097 PRESSURE: 2355800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2355800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2355800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2355800 0 0 0 0 0 0 0 0 0 TIMING: 2355800 CPU: 9474.4, 0.00394696/step Wall: 9474.4, 0.00394696/step, 0.158098 hours remaining, 114.812500 MB of memory in use. ENERGY: 2355800 665.0833 1833.5127 1986.3609 114.8998 0.6865 -1078.4945 0.0000 0.0000 2703.5491 6225.5979 298.6145 3522.0488 6259.1253 300.1465 PRESSURE: 2356000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2356000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2356000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2356000 0 0 0 0 0 0 0 0 0 TIMING: 2356000 CPU: 9475.19, 0.00394683/step Wall: 9475.19, 0.00394683/step, 0.157873 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2356000 635.9173 1864.8852 1980.6016 119.6179 1.0805 -1081.8245 0.0000 0.0000 2715.0188 6235.2968 299.8814 3520.2781 6267.5242 301.1054 PRESSURE: 2356200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2356200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2356200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2356200 0 0 0 0 0 0 0 0 0 TIMING: 2356200 CPU: 9475.98, 0.00394736/step Wall: 9475.98, 0.00394736/step, 0.157675 hours remaining, 114.812500 MB of memory in use. ENERGY: 2356200 641.8459 1839.7047 1965.8471 113.0180 0.2749 -1101.1270 0.0000 0.0000 2800.4587 6260.0224 309.3185 3459.5636 6295.9229 301.0140 LDB: ============= START OF LOAD BALANCING ============== 9478.94 LDB: ============== END OF LOAD BALANCING =============== 9478.94 LDB: =============== DONE WITH MIGRATION ================ 9478.94 LDB: ============= START OF LOAD BALANCING ============== 9479.34 LDB: ============== END OF LOAD BALANCING =============== 9479.34 LDB: =============== DONE WITH MIGRATION ================ 9479.34 PRESSURE: 2356400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2356400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2356400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2356400 0 0 0 0 0 0 0 0 0 TIMING: 2356400 CPU: 9476.77, 0.00395478/step Wall: 9476.77, 0.00395478/step, 0.157752 hours remaining, 114.812500 MB of memory in use. ENERGY: 2356400 691.6495 1892.0491 1959.7924 105.7372 2.1246 -1106.6468 0.0000 0.0000 2720.1162 6264.8223 300.4444 3544.7061 6295.8838 303.1583 PRESSURE: 2356600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2356600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2356600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2356600 0 0 0 0 0 0 0 0 0 TIMING: 2356600 CPU: 9477.56, 0.00394805/step Wall: 9477.56, 0.00394805/step, 0.157264 hours remaining, 114.812500 MB of memory in use. ENERGY: 2356600 660.8538 1872.3661 1959.7789 106.9129 1.9859 -1102.6515 0.0000 0.0000 2781.8840 6281.1301 307.2668 3499.2462 6314.6838 303.4852 PRESSURE: 2356800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2356800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2356800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2356800 0 0 0 0 0 0 0 0 0 TIMING: 2356800 CPU: 9478.35, 0.00394695/step Wall: 9478.35, 0.00394695/step, 0.157001 hours remaining, 114.812500 MB of memory in use. ENERGY: 2356800 643.7837 1907.7730 1937.2794 106.3278 2.1494 -1059.4807 0.0000 0.0000 2723.5382 6261.3709 300.8224 3537.8327 6293.8401 302.8663 PRESSURE: 2357000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2357000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2357000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2357000 0 0 0 0 0 0 0 0 0 TIMING: 2357000 CPU: 9479.14, 0.00394784/step Wall: 9479.14, 0.00394784/step, 0.156817 hours remaining, 114.812500 MB of memory in use. ENERGY: 2357000 671.8791 1873.9376 1983.9109 121.1106 1.7723 -1093.0772 0.0000 0.0000 2683.0532 6242.5864 296.3507 3559.5332 6271.6779 301.2406 PRESSURE: 2357200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2357200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2357200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2357200 0 0 0 0 0 0 0 0 0 TIMING: 2357200 CPU: 9479.93, 0.00394632/step Wall: 9479.93, 0.00394632/step, 0.156537 hours remaining, 114.812500 MB of memory in use. ENERGY: 2357200 627.8048 1808.5000 1963.2907 117.1555 2.2252 -1086.1526 0.0000 0.0000 2755.1787 6188.0024 304.3172 3432.8236 6225.2328 298.7317 PRESSURE: 2357400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2357400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2357400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2357400 0 0 0 0 0 0 0 0 0 TIMING: 2357400 CPU: 9480.72, 0.00394861/step Wall: 9480.72, 0.00394861/step, 0.156409 hours remaining, 114.812500 MB of memory in use. ENERGY: 2357400 668.2794 1837.1392 1939.9363 94.1994 2.3340 -1053.7192 0.0000 0.0000 2674.6579 6162.8270 295.4234 3488.1691 6195.2671 297.7163 PRESSURE: 2357600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2357600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2357600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2357600 0 0 0 0 0 0 0 0 0 TIMING: 2357600 CPU: 9481.51, 0.00394879/step Wall: 9481.51, 0.00394879/step, 0.156197 hours remaining, 114.812500 MB of memory in use. ENERGY: 2357600 629.8691 1856.0245 1963.2347 110.8438 1.1833 -1082.9166 0.0000 0.0000 2681.0838 6159.3226 296.1332 3478.2388 6193.3489 296.2187 PRESSURE: 2357800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2357800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2357800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2357800 0 0 0 0 0 0 0 0 0 TIMING: 2357800 CPU: 9482.3, 0.00394828/step Wall: 9482.3, 0.00394828/step, 0.155957 hours remaining, 114.812500 MB of memory in use. ENERGY: 2357800 628.7069 1824.3012 1987.3235 110.5495 0.7549 -1106.1941 0.0000 0.0000 2731.1049 6176.5468 301.6581 3445.4419 6214.0565 297.0280 PRESSURE: 2358000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2358000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2358000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2358000 0 0 0 0 0 0 0 0 0 TIMING: 2358000 CPU: 9483.09, 0.0039498/step Wall: 9483.09, 0.0039498/step, 0.155798 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2358000 632.8760 1857.2100 1947.9538 100.7007 1.4349 -1121.0776 0.0000 0.0000 2706.2338 6125.3316 298.9111 3419.0978 6157.5471 298.1339 PRESSURE: 2358200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2358200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2358200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2358200 0 0 0 0 0 0 0 0 0 TIMING: 2358200 CPU: 9483.88, 0.00394792/step Wall: 9483.88, 0.00394792/step, 0.155504 hours remaining, 114.812500 MB of memory in use. ENERGY: 2358200 621.9253 1817.0938 1926.1322 113.6975 0.9732 -1077.7110 0.0000 0.0000 2698.4963 6100.6072 298.0564 3402.1109 6135.4648 294.7007 PRESSURE: 2358400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2358400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2358400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2358400 0 0 0 0 0 0 0 0 0 TIMING: 2358400 CPU: 9484.67, 0.00394765/step Wall: 9484.67, 0.00394765/step, 0.155274 hours remaining, 114.812500 MB of memory in use. ENERGY: 2358400 628.6444 1803.8602 1956.9906 127.6160 0.4471 -1103.3759 0.0000 0.0000 2659.7017 6073.8841 293.7715 3414.1824 6106.8304 293.0934 PRESSURE: 2358600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2358600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2358600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2358600 0 0 0 0 0 0 0 0 0 TIMING: 2358600 CPU: 9485.46, 0.0039487/step Wall: 9485.46, 0.0039487/step, 0.155096 hours remaining, 114.812500 MB of memory in use. ENERGY: 2358600 637.0603 1834.8915 1953.3256 102.4266 0.6083 -1099.8983 0.0000 0.0000 2640.2150 6068.6291 291.6191 3428.4140 6098.6923 292.1335 PRESSURE: 2358800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2358800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2358800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2358800 0 0 0 0 0 0 0 0 0 TIMING: 2358800 CPU: 9486.25, 0.00394988/step Wall: 9486.25, 0.00394988/step, 0.154923 hours remaining, 114.812500 MB of memory in use. ENERGY: 2358800 586.6614 1768.4678 1954.4567 115.5646 1.1702 -1074.4994 0.0000 0.0000 2661.0492 6012.8706 293.9203 3351.8214 6045.8221 290.7686 PRESSURE: 2359000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2359000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2359000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2359000 0 0 0 0 0 0 0 0 0 TIMING: 2359000 CPU: 9487.04, 0.00395167/step Wall: 9487.04, 0.00395167/step, 0.154774 hours remaining, 114.812500 MB of memory in use. ENERGY: 2359000 615.8600 1799.6462 1954.8553 104.8417 2.4152 -1097.4765 0.0000 0.0000 2636.1774 6016.3193 291.1731 3380.1418 6048.4713 289.5827 PRESSURE: 2359200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2359200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2359200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2359200 0 0 0 0 0 0 0 0 0 TIMING: 2359200 CPU: 9487.83, 0.00394976/step Wall: 9487.83, 0.00394976/step, 0.15448 hours remaining, 114.812500 MB of memory in use. ENERGY: 2359200 624.0191 1809.6478 1978.9408 109.3435 1.3628 -1063.3561 0.0000 0.0000 2609.5136 6069.4715 288.2280 3459.9579 6100.9391 290.6794 PRESSURE: 2359400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2359400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2359400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2359400 0 0 0 0 0 0 0 0 0 TIMING: 2359400 CPU: 9488.62, 0.00395126/step Wall: 9488.62, 0.00395126/step, 0.154319 hours remaining, 114.812500 MB of memory in use. ENERGY: 2359400 679.5350 1832.5562 1945.1213 89.8257 1.4349 -1110.3613 0.0000 0.0000 2650.6082 6088.7200 292.7671 3438.1118 6120.9128 294.0922 PRESSURE: 2359600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2359600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2359600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2359600 0 0 0 0 0 0 0 0 0 TIMING: 2359600 CPU: 9489.41, 0.00394895/step Wall: 9489.41, 0.00394895/step, 0.154009 hours remaining, 114.812500 MB of memory in use. ENERGY: 2359600 624.4320 1818.7177 1956.7343 116.5372 2.1091 -1069.1087 0.0000 0.0000 2681.3005 6130.7222 296.1571 3449.4217 6165.1297 295.2141 PRESSURE: 2359800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2359800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2359800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2359800 0 0 0 0 0 0 0 0 0 TIMING: 2359800 CPU: 9490.2, 0.0039484/step Wall: 9490.2, 0.0039484/step, 0.153768 hours remaining, 114.812500 MB of memory in use. ENERGY: 2359800 641.6454 1828.0603 1954.7619 114.5452 0.3119 -1063.6696 0.0000 0.0000 2713.3571 6189.0122 299.6979 3475.6551 6223.7160 296.3439 PRESSURE: 2360000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2360000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2360000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2360000 0 0 0 0 0 0 0 0 0 TIMING: 2360000 CPU: 9490.99, 0.00395028/step Wall: 9490.99, 0.00395028/step, 0.153622 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2360000 646.5882 1823.6422 1933.2662 99.1701 0.3395 -1065.0002 0.0000 0.0000 2763.0036 6201.0095 305.1814 3438.0060 6233.6068 299.5533 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2360000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2360000 WRITING COORDINATES TO RESTART FILE AT STEP 2360000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2360000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2360200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2360200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2360200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2360200 0 0 0 0 0 0 0 0 0 TIMING: 2360200 CPU: 9491.88, 0.00445458/step Wall: 9491.88, 0.00445458/step, 0.172986 hours remaining, 114.812500 MB of memory in use. ENERGY: 2360200 640.2425 1847.9777 1958.0613 97.3550 0.6015 -1065.5546 0.0000 0.0000 2626.5436 6105.2271 290.1091 3478.6835 6135.6523 297.6712 LDB: ============= START OF LOAD BALANCING ============== 9494.84 LDB: ============== END OF LOAD BALANCING =============== 9494.84 LDB: =============== DONE WITH MIGRATION ================ 9494.84 LDB: ============= START OF LOAD BALANCING ============== 9495.24 LDB: ============== END OF LOAD BALANCING =============== 9495.24 LDB: =============== DONE WITH MIGRATION ================ 9495.24 PRESSURE: 2360400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2360400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2360400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2360400 0 0 0 0 0 0 0 0 0 TIMING: 2360400 CPU: 9492.68, 0.0039715/step Wall: 9492.68, 0.0039715/step, 0.154006 hours remaining, 114.812500 MB of memory in use. ENERGY: 2360400 634.1375 1820.8052 1956.0224 109.6390 1.6874 -1101.5689 0.0000 0.0000 2647.2400 6067.9626 292.3950 3420.7226 6100.9936 293.7471 PRESSURE: 2360600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2360600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2360600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2360600 0 0 0 0 0 0 0 0 0 TIMING: 2360600 CPU: 9493.47, 0.00395086/step Wall: 9493.47, 0.00395086/step, 0.152986 hours remaining, 114.812500 MB of memory in use. ENERGY: 2360600 657.8038 1844.8004 1908.9394 113.1365 0.3353 -1112.7336 0.0000 0.0000 2707.2490 6119.5308 299.0232 3412.2818 6151.3318 294.8952 PRESSURE: 2360800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2360800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2360800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2360800 0 0 0 0 0 0 0 0 0 TIMING: 2360800 CPU: 9494.26, 0.00395505/step Wall: 9494.26, 0.00395505/step, 0.152929 hours remaining, 114.812500 MB of memory in use. ENERGY: 2360800 634.3412 1855.8703 1920.3304 82.4050 1.4004 -1094.5491 0.0000 0.0000 2629.2421 6029.0404 290.4071 3399.7983 6061.8197 291.6374 PRESSURE: 2361000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2361000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2361000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2361000 0 0 0 0 0 0 0 0 0 TIMING: 2361000 CPU: 9495.05, 0.00395523/step Wall: 9495.05, 0.00395523/step, 0.152716 hours remaining, 114.812500 MB of memory in use. ENERGY: 2361000 652.9811 1847.4124 1955.7665 105.1039 3.2934 -1078.7285 0.0000 0.0000 2631.9303 6117.7591 290.7040 3485.8288 6147.0844 291.8774 PRESSURE: 2361200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2361200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2361200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2361200 0 0 0 0 0 0 0 0 0 TIMING: 2361200 CPU: 9495.84, 0.00395419/step Wall: 9495.84, 0.00395419/step, 0.152456 hours remaining, 114.812500 MB of memory in use. ENERGY: 2361200 636.8761 1824.0120 1925.9550 101.7216 2.4354 -1101.4356 0.0000 0.0000 2723.6898 6113.2543 300.8391 3389.5645 6145.1673 295.8823 PRESSURE: 2361400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2361400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2361400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2361400 0 0 0 0 0 0 0 0 0 TIMING: 2361400 CPU: 9496.63, 0.00394727/step Wall: 9496.63, 0.00394727/step, 0.15197 hours remaining, 114.812500 MB of memory in use. ENERGY: 2361400 652.7600 1847.3250 1963.0819 115.3662 1.2175 -1090.7639 0.0000 0.0000 2663.9484 6152.9353 294.2405 3488.9869 6184.2809 296.1786 PRESSURE: 2361600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2361600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2361600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2361600 0 0 0 0 0 0 0 0 0 TIMING: 2361600 CPU: 9497.42, 0.00395508/step Wall: 9497.42, 0.00395508/step, 0.152051 hours remaining, 114.812500 MB of memory in use. ENERGY: 2361600 635.3090 1887.9964 1953.7935 103.2452 0.9326 -1074.8035 0.0000 0.0000 2652.2115 6158.6847 292.9441 3506.4732 6187.9146 295.6522 PRESSURE: 2361800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2361800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2361800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2361800 0 0 0 0 0 0 0 0 0 TIMING: 2361800 CPU: 9498.21, 0.00395525/step Wall: 9498.21, 0.00395525/step, 0.151838 hours remaining, 114.812500 MB of memory in use. ENERGY: 2361800 628.2115 1839.7313 1963.5707 109.6977 2.0330 -1114.7625 0.0000 0.0000 2650.5485 6079.0302 292.7605 3428.4817 6111.5094 295.9214 PRESSURE: 2362000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2362000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2362000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2362000 0 0 0 0 0 0 0 0 0 TIMING: 2362000 CPU: 9499, 0.00396541/step Wall: 9499, 0.00396541/step, 0.152007 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2362000 613.4227 1857.4304 1973.5417 99.0822 2.4928 -1109.7892 0.0000 0.0000 2655.5428 6091.7234 293.3121 3436.1806 6121.6860 293.5546 PRESSURE: 2362200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2362200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2362200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2362200 0 0 0 0 0 0 0 0 0 TIMING: 2362200 CPU: 9499.79, 0.00395326/step Wall: 9499.79, 0.00395325/step, 0.151322 hours remaining, 114.812500 MB of memory in use. ENERGY: 2362200 598.6283 1862.6189 1973.6588 109.2731 3.0443 -1072.0239 0.0000 0.0000 2631.8245 6107.0242 290.6923 3475.1997 6138.5397 294.7348 PRESSURE: 2362400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2362400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2362400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2362400 0 0 0 0 0 0 0 0 0 TIMING: 2362400 CPU: 9500.58, 0.00394885/step Wall: 9500.58, 0.00394886/step, 0.150934 hours remaining, 114.812500 MB of memory in use. ENERGY: 2362400 642.4104 1871.7744 1945.6700 95.3697 1.2582 -1131.0635 0.0000 0.0000 2637.2880 6062.7073 291.2958 3425.4193 6094.6192 292.4666 PRESSURE: 2362600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2362600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2362600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2362600 0 0 0 0 0 0 0 0 0 TIMING: 2362600 CPU: 9501.37, 0.00395512/step Wall: 9501.37, 0.00395512/step, 0.150954 hours remaining, 114.812500 MB of memory in use. ENERGY: 2362600 658.8751 1797.9010 1962.7861 105.5350 1.9795 -1107.8088 0.0000 0.0000 2735.5790 6154.8468 302.1523 3419.2678 6191.3468 294.6676 PRESSURE: 2362800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2362800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2362800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2362800 0 0 0 0 0 0 0 0 0 TIMING: 2362800 CPU: 9502.17, 0.00395385/step Wall: 9502.17, 0.00395386/step, 0.150686 hours remaining, 114.812500 MB of memory in use. ENERGY: 2362800 620.4930 1871.7708 1947.5882 116.2535 1.4455 -1092.7394 0.0000 0.0000 2708.2103 6173.0218 299.1294 3464.8115 6206.5866 297.9750 PRESSURE: 2363000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2363000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2363000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2363000 0 0 0 0 0 0 0 0 0 TIMING: 2363000 CPU: 9502.96, 0.00395213/step Wall: 9502.96, 0.00395213/step, 0.150401 hours remaining, 114.812500 MB of memory in use. ENERGY: 2363000 682.5731 1864.7215 1939.9937 105.7767 1.3737 -1119.3817 0.0000 0.0000 2674.6719 6149.7288 295.4250 3475.0569 6180.7045 296.9700 PRESSURE: 2363200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2363200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2363200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2363200 0 0 0 0 0 0 0 0 0 TIMING: 2363200 CPU: 9503.75, 0.00395356/step Wall: 9503.75, 0.00395356/step, 0.150235 hours remaining, 114.812500 MB of memory in use. ENERGY: 2363200 658.0219 1884.3210 1926.3826 127.2210 0.9613 -1125.5362 0.0000 0.0000 2637.7000 6109.0717 291.3413 3471.3716 6140.1798 295.8978 PRESSURE: 2363400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2363400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2363400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2363400 0 0 0 0 0 0 0 0 0 TIMING: 2363400 CPU: 9504.54, 0.00394756/step Wall: 9504.54, 0.00394756/step, 0.149788 hours remaining, 114.812500 MB of memory in use. ENERGY: 2363400 628.7165 1814.3862 1957.6636 98.9522 1.3851 -1098.6045 0.0000 0.0000 2746.0482 6148.5474 303.3087 3402.4991 6183.9182 296.2888 PRESSURE: 2363600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2363600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2363600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2363600 0 0 0 0 0 0 0 0 0 TIMING: 2363600 CPU: 9505.33, 0.00395307/step Wall: 9505.33, 0.00395307/step, 0.149777 hours remaining, 114.812500 MB of memory in use. ENERGY: 2363600 629.9308 1840.5674 1984.1615 108.0263 1.7745 -1097.0845 0.0000 0.0000 2684.2684 6151.6444 296.4849 3467.3759 6183.1228 298.0453 PRESSURE: 2363800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2363800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2363800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2363800 0 0 0 0 0 0 0 0 0 TIMING: 2363800 CPU: 9506.12, 0.00395253/step Wall: 9506.12, 0.00395253/step, 0.149537 hours remaining, 114.812500 MB of memory in use. ENERGY: 2363800 635.7939 1817.1089 2005.5277 100.6964 2.7693 -1092.8971 0.0000 0.0000 2643.4196 6112.4188 291.9731 3468.9991 6144.6392 296.7451 PRESSURE: 2364000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2364000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2364000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2364000 0 0 0 0 0 0 0 0 0 TIMING: 2364000 CPU: 9506.91, 0.00395166/step Wall: 9506.91, 0.00395165/step, 0.149285 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2364000 665.7529 1813.9904 1952.1418 107.8533 2.0805 -1105.8663 0.0000 0.0000 2710.9295 6146.8822 299.4297 3435.9527 6182.0330 296.7730 PRESSURE: 2364200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2364200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2364200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2364200 0 0 0 0 0 0 0 0 0 TIMING: 2364200 CPU: 9507.7, 0.00395278/step Wall: 9507.7, 0.00395278/step, 0.149108 hours remaining, 114.812500 MB of memory in use. ENERGY: 2364200 633.0306 1797.6312 1958.6340 99.7676 2.2703 -1086.3563 0.0000 0.0000 2714.5153 6119.4928 299.8258 3404.9775 6152.5880 295.1424 LDB: ============= START OF LOAD BALANCING ============== 9510.66 LDB: ============== END OF LOAD BALANCING =============== 9510.66 LDB: =============== DONE WITH MIGRATION ================ 9510.66 LDB: ============= START OF LOAD BALANCING ============== 9511.05 LDB: ============== END OF LOAD BALANCING =============== 9511.05 LDB: =============== DONE WITH MIGRATION ================ 9511.05 PRESSURE: 2364400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2364400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2364400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2364400 0 0 0 0 0 0 0 0 0 TIMING: 2364400 CPU: 9508.49, 0.00395101/step Wall: 9508.49, 0.003951/step, 0.148821 hours remaining, 114.812500 MB of memory in use. ENERGY: 2364400 647.2393 1825.6035 1983.3988 100.6355 0.7620 -1085.1319 0.0000 0.0000 2613.2190 6085.7263 288.6373 3472.5072 6116.0413 292.7880 PRESSURE: 2364600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2364600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2364600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2364600 0 0 0 0 0 0 0 0 0 TIMING: 2364600 CPU: 9509.28, 0.00395298/step Wall: 9509.28, 0.00395298/step, 0.148676 hours remaining, 114.812500 MB of memory in use. ENERGY: 2364600 649.1338 1758.2274 1938.8105 115.6943 1.9847 -1045.6369 0.0000 0.0000 2664.7368 6082.9506 294.3276 3418.2139 6115.7668 292.6644 PRESSURE: 2364800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2364800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2364800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2364800 0 0 0 0 0 0 0 0 0 TIMING: 2364800 CPU: 9510.07, 0.00395319/step Wall: 9510.07, 0.00395319/step, 0.148464 hours remaining, 114.812500 MB of memory in use. ENERGY: 2364800 655.6923 1817.8342 1970.0645 97.8370 1.0060 -1090.3786 0.0000 0.0000 2704.1212 6156.1766 298.6777 3452.0554 6188.4048 294.8081 PRESSURE: 2365000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2365000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2365000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2365000 0 0 0 0 0 0 0 0 0 TIMING: 2365000 CPU: 9510.86, 0.00395361/step Wall: 9510.86, 0.00395361/step, 0.14826 hours remaining, 114.812500 MB of memory in use. ENERGY: 2365000 671.0393 1842.1501 1954.0463 115.8327 0.9351 -1066.9711 0.0000 0.0000 2668.0687 6185.1011 294.6956 3517.0324 6213.8579 297.4750 PRESSURE: 2365200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2365200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2365200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2365200 0 0 0 0 0 0 0 0 0 TIMING: 2365200 CPU: 9511.65, 0.00394867/step Wall: 9511.65, 0.00394867/step, 0.147856 hours remaining, 114.812500 MB of memory in use. ENERGY: 2365200 668.6717 1869.3521 1975.5707 119.4785 1.1821 -1109.2515 0.0000 0.0000 2687.2598 6212.2634 296.8153 3525.0037 6242.0530 299.2045 PRESSURE: 2365400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2365400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2365400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2365400 0 0 0 0 0 0 0 0 0 TIMING: 2365400 CPU: 9512.44, 0.00395325/step Wall: 9512.44, 0.00395325/step, 0.147808 hours remaining, 114.812500 MB of memory in use. ENERGY: 2365400 689.1568 1828.6352 1990.4728 118.1777 2.0606 -1100.2096 0.0000 0.0000 2692.5747 6220.8683 297.4024 3528.2936 6248.6343 298.7930 PRESSURE: 2365600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2365600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2365600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2365600 0 0 0 0 0 0 0 0 0 TIMING: 2365600 CPU: 9513.23, 0.00395382/step Wall: 9513.23, 0.00395382/step, 0.147609 hours remaining, 114.812500 MB of memory in use. ENERGY: 2365600 671.1383 1835.7171 1955.8437 113.0226 2.3979 -1086.0789 0.0000 0.0000 2721.5860 6213.6266 300.6068 3492.0406 6247.2468 300.9095 PRESSURE: 2365800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2365800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2365800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2365800 0 0 0 0 0 0 0 0 0 TIMING: 2365800 CPU: 9514.02, 0.0039534/step Wall: 9514.02, 0.0039534/step, 0.147374 hours remaining, 114.812500 MB of memory in use. ENERGY: 2365800 636.5698 1853.1993 1963.2154 104.9298 1.8192 -1046.7607 0.0000 0.0000 2705.8367 6218.8096 298.8672 3512.9729 6253.8421 300.3586 PRESSURE: 2366000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2366000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2366000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2366000 0 0 0 0 0 0 0 0 0 TIMING: 2366000 CPU: 9514.81, 0.00395185/step Wall: 9514.81, 0.00395185/step, 0.147096 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2366000 624.0500 1816.6170 1947.2259 112.9825 2.5106 -1070.9281 0.0000 0.0000 2787.2639 6219.7218 307.8611 3432.4579 6255.8905 299.0297 PRESSURE: 2366200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2366200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2366200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2366200 0 0 0 0 0 0 0 0 0 TIMING: 2366200 CPU: 9515.6, 0.00394746/step Wall: 9515.6, 0.00394746/step, 0.146714 hours remaining, 114.812500 MB of memory in use. ENERGY: 2366200 696.2322 1869.4026 1950.4023 92.2067 1.1837 -1119.6321 0.0000 0.0000 2702.6794 6192.4748 298.5185 3489.7955 6224.3933 298.9099 PRESSURE: 2366400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2366400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2366400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2366400 0 0 0 0 0 0 0 0 0 TIMING: 2366400 CPU: 9516.39, 0.00395157/step Wall: 9516.39, 0.00395157/step, 0.146647 hours remaining, 114.812500 MB of memory in use. ENERGY: 2366400 650.6257 1870.5007 1962.2667 122.7921 1.4520 -1132.6150 0.0000 0.0000 2740.2951 6215.3174 302.6732 3475.0223 6249.8506 300.0178 PRESSURE: 2366600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2366600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2366600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2366600 0 0 0 0 0 0 0 0 0 TIMING: 2366600 CPU: 9517.18, 0.00395287/step Wall: 9517.18, 0.00395287/step, 0.146476 hours remaining, 114.812500 MB of memory in use. ENERGY: 2366600 601.7615 1895.3123 1952.4815 113.9671 2.1814 -1067.9014 0.0000 0.0000 2719.9028 6217.7052 300.4208 3497.8024 6251.5528 300.7422 PRESSURE: 2366800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2366800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2366800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2366800 0 0 0 0 0 0 0 0 0 TIMING: 2366800 CPU: 9517.97, 0.00395109/step Wall: 9517.97, 0.00395108/step, 0.14619 hours remaining, 114.812500 MB of memory in use. ENERGY: 2366800 713.8758 1838.2349 1986.1105 95.5032 2.4980 -1103.5810 0.0000 0.0000 2701.9679 6234.6093 298.4399 3532.6414 6265.9460 300.8938 PRESSURE: 2367000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2367000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2367000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2367000 0 0 0 0 0 0 0 0 0 TIMING: 2367000 CPU: 9518.76, 0.00395258/step Wall: 9518.76, 0.00395259/step, 0.146026 hours remaining, 114.812500 MB of memory in use. ENERGY: 2367000 709.8759 1837.9497 1979.4039 109.1006 2.7502 -1086.1170 0.0000 0.0000 2700.3215 6253.2848 298.2580 3552.9633 6286.7725 300.9723 PRESSURE: 2367200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2367200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2367200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2367200 0 0 0 0 0 0 0 0 0 TIMING: 2367200 CPU: 9519.55, 0.0039478/step Wall: 9519.55, 0.0039478/step, 0.14563 hours remaining, 114.812500 MB of memory in use. ENERGY: 2367200 673.0372 1864.0400 1947.3239 109.7213 1.0916 -1093.5006 0.0000 0.0000 2749.0934 6250.8068 303.6450 3501.7134 6286.1000 301.8503 PRESSURE: 2367400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2367400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2367400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2367400 0 0 0 0 0 0 0 0 0 TIMING: 2367400 CPU: 9520.34, 0.00395247/step Wall: 9520.34, 0.00395247/step, 0.145583 hours remaining, 114.812500 MB of memory in use. ENERGY: 2367400 673.3234 1904.4482 1977.8397 102.7255 1.6924 -1121.5708 0.0000 0.0000 2707.7806 6246.2389 299.0819 3538.4583 6278.3138 302.1393 PRESSURE: 2367600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2367600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2367600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2367600 0 0 0 0 0 0 0 0 0 TIMING: 2367600 CPU: 9521.13, 0.00395347/step Wall: 9521.13, 0.00395347/step, 0.1454 hours remaining, 114.812500 MB of memory in use. ENERGY: 2367600 653.6303 1861.6687 1930.4722 99.6787 2.0105 -1096.4839 0.0000 0.0000 2711.4876 6162.4641 299.4914 3450.9765 6196.6992 299.1364 PRESSURE: 2367800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2367800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2367800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2367800 0 0 0 0 0 0 0 0 0 TIMING: 2367800 CPU: 9521.92, 0.00395278/step Wall: 9521.92, 0.00395278/step, 0.145155 hours remaining, 114.812500 MB of memory in use. ENERGY: 2367800 677.9232 1908.2207 1948.2533 110.5694 4.2323 -1102.7480 0.0000 0.0000 2699.7324 6246.1833 298.1930 3546.4509 6276.3525 299.3259 PRESSURE: 2368000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2368000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2368000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2368000 0 0 0 0 0 0 0 0 0 TIMING: 2368000 CPU: 9522.72, 0.00395253/step Wall: 9522.72, 0.00395253/step, 0.144926 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2368000 658.3744 1859.6106 1938.9058 102.3998 1.7441 -1091.5543 0.0000 0.0000 2782.7672 6252.2476 307.3644 3469.4804 6288.4697 301.2433 PRESSURE: 2368200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2368200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2368200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2368200 0 0 0 0 0 0 0 0 0 TIMING: 2368200 CPU: 9523.5, 0.00394698/step Wall: 9523.5, 0.00394698/step, 0.144503 hours remaining, 114.812500 MB of memory in use. ENERGY: 2368200 664.9423 1850.8936 1987.5759 111.5121 2.3358 -1104.6478 0.0000 0.0000 2769.1295 6281.7415 305.8581 3512.6119 6315.9089 303.3991 LDB: ============= START OF LOAD BALANCING ============== 9526.46 LDB: ============== END OF LOAD BALANCING =============== 9526.46 LDB: =============== DONE WITH MIGRATION ================ 9526.46 LDB: ============= START OF LOAD BALANCING ============== 9526.86 LDB: ============== END OF LOAD BALANCING =============== 9526.86 LDB: =============== DONE WITH MIGRATION ================ 9526.86 PRESSURE: 2368400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2368400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2368400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2368400 0 0 0 0 0 0 0 0 0 TIMING: 2368400 CPU: 9524.3, 0.00395585/step Wall: 9524.3, 0.00395585/step, 0.144608 hours remaining, 114.812500 MB of memory in use. ENERGY: 2368400 695.9151 1844.3815 1969.0167 115.4066 2.7451 -1086.3431 0.0000 0.0000 2756.5138 6297.6357 304.4646 3541.1219 6331.1439 302.8051 PRESSURE: 2368600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2368600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2368600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2368600 0 0 0 0 0 0 0 0 0 TIMING: 2368600 CPU: 9525.09, 0.00395127/step Wall: 9525.09, 0.00395127/step, 0.144221 hours remaining, 114.812500 MB of memory in use. ENERGY: 2368600 646.8818 1913.5672 1983.7805 112.3730 1.3305 -1095.2476 0.0000 0.0000 2753.5570 6316.2424 304.1380 3562.6854 6351.0231 306.0309 PRESSURE: 2368800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2368800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2368800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2368800 0 0 0 0 0 0 0 0 0 TIMING: 2368800 CPU: 9525.88, 0.00394966/step Wall: 9525.88, 0.00394966/step, 0.143943 hours remaining, 114.812500 MB of memory in use. ENERGY: 2368800 644.8340 1934.9492 1957.1730 107.8182 3.6987 -1084.7192 0.0000 0.0000 2743.6039 6307.3579 303.0387 3563.7539 6341.7179 306.0506 PRESSURE: 2369000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2369000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2369000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2369000 0 0 0 0 0 0 0 0 0 TIMING: 2369000 CPU: 9526.67, 0.0039622/step Wall: 9526.67, 0.0039622/step, 0.14418 hours remaining, 114.812500 MB of memory in use. ENERGY: 2369000 662.9945 1834.8302 1962.6817 108.8156 0.6385 -1080.4364 0.0000 0.0000 2738.9111 6228.4353 302.5204 3489.5242 6261.3925 301.3776 PRESSURE: 2369200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2369200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2369200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2369200 0 0 0 0 0 0 0 0 0 TIMING: 2369200 CPU: 9527.46, 0.0039606/step Wall: 9527.46, 0.0039606/step, 0.143902 hours remaining, 114.812500 MB of memory in use. ENERGY: 2369200 646.2226 1872.4488 1980.4456 99.2759 2.5378 -1080.6102 0.0000 0.0000 2706.7056 6227.0261 298.9632 3520.3205 6260.3652 300.5369 PRESSURE: 2369400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2369400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2369400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2369400 0 0 0 0 0 0 0 0 0 TIMING: 2369400 CPU: 9528.25, 0.0039555/step Wall: 9528.25, 0.0039555/step, 0.143497 hours remaining, 114.812500 MB of memory in use. ENERGY: 2369400 655.8957 1868.5076 1968.7573 107.8385 1.8473 -1110.9560 0.0000 0.0000 2669.1511 6161.0415 294.8152 3491.8904 6194.8647 297.4096 PRESSURE: 2369600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2369600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2369600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2369600 0 0 0 0 0 0 0 0 0 TIMING: 2369600 CPU: 9529.04, 0.00395351/step Wall: 9529.04, 0.00395351/step, 0.143205 hours remaining, 114.812500 MB of memory in use. ENERGY: 2369600 644.2262 1805.4264 1965.9371 98.6119 3.2876 -1108.7050 0.0000 0.0000 2741.1563 6149.9406 302.7683 3408.7843 6183.6093 296.3530 PRESSURE: 2369800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2369800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2369800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2369800 0 0 0 0 0 0 0 0 0 TIMING: 2369800 CPU: 9529.83, 0.0039519/step Wall: 9529.83, 0.0039519/step, 0.142927 hours remaining, 114.812500 MB of memory in use. ENERGY: 2369800 637.9388 1820.3362 1967.8991 104.1250 2.8600 -1098.3239 0.0000 0.0000 2732.2756 6167.1108 301.7874 3434.8352 6202.0996 296.9359 PRESSURE: 2370000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2370000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2370000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2370000 0 0 0 0 0 0 0 0 0 TIMING: 2370000 CPU: 9530.62, 0.00394809/step Wall: 9530.62, 0.00394809/step, 0.14257 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2370000 662.0290 1775.3690 1977.3902 109.1711 1.6017 -1085.5656 0.0000 0.0000 2772.1541 6212.1496 306.1921 3439.9955 6246.2888 300.6494 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2370000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2370000 WRITING COORDINATES TO RESTART FILE AT STEP 2370000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2370000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2370200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2370200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2370200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2370200 0 0 0 0 0 0 0 0 0 TIMING: 2370200 CPU: 9531.45, 0.00414117/step Wall: 9531.45, 0.00414118/step, 0.149313 hours remaining, 114.812500 MB of memory in use. ENERGY: 2370200 636.3734 1857.6577 1974.2744 112.9950 3.6376 -1052.4656 0.0000 0.0000 2684.0649 6216.5375 296.4624 3532.4726 6247.2649 301.1683 PRESSURE: 2370400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2370400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2370400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2370400 0 0 0 0 0 0 0 0 0 TIMING: 2370400 CPU: 9532.24, 0.00395449/step Wall: 9532.24, 0.00395449/step, 0.142362 hours remaining, 114.812500 MB of memory in use. ENERGY: 2370400 660.2833 1849.2426 1986.8810 116.3646 2.0380 -1120.4454 0.0000 0.0000 2713.1048 6207.4689 299.6700 3494.3641 6237.9920 297.8125 PRESSURE: 2370600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2370600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2370600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2370600 0 0 0 0 0 0 0 0 0 TIMING: 2370600 CPU: 9533.03, 0.00395339/step Wall: 9533.03, 0.00395339/step, 0.142102 hours remaining, 114.812500 MB of memory in use. ENERGY: 2370600 661.0293 1830.5070 1941.0408 110.0279 2.2590 -1104.2005 0.0000 0.0000 2778.3745 6219.0380 306.8792 3440.6635 6255.3384 300.7616 PRESSURE: 2370800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2370800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2370800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2370800 0 0 0 0 0 0 0 0 0 TIMING: 2370800 CPU: 9533.82, 0.00395306/step Wall: 9533.82, 0.00395306/step, 0.141871 hours remaining, 114.812500 MB of memory in use. ENERGY: 2370800 689.3367 1851.9798 1966.9246 115.3092 1.2952 -1113.1226 0.0000 0.0000 2689.0407 6200.7636 297.0120 3511.7229 6231.8608 300.4531 PRESSURE: 2371000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2371000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2371000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2371000 0 0 0 0 0 0 0 0 0 TIMING: 2371000 CPU: 9534.61, 0.00394538/step Wall: 9534.61, 0.00394538/step, 0.141376 hours remaining, 114.812500 MB of memory in use. ENERGY: 2371000 650.2827 1850.0087 1946.7862 107.4644 1.1038 -1124.6403 0.0000 0.0000 2700.4475 6131.4530 298.2720 3431.0054 6165.7821 298.5968 PRESSURE: 2371200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2371200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2371200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2371200 0 0 0 0 0 0 0 0 0 TIMING: 2371200 CPU: 9535.4, 0.00395288/step Wall: 9535.4, 0.00395288/step, 0.141425 hours remaining, 114.812500 MB of memory in use. ENERGY: 2371200 627.7777 1853.7650 1951.8887 98.8024 2.3752 -1090.9357 0.0000 0.0000 2664.2153 6107.8886 294.2700 3443.6734 6138.6057 296.0811 PRESSURE: 2371400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2371400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2371400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2371400 0 0 0 0 0 0 0 0 0 TIMING: 2371400 CPU: 9536.19, 0.00395203/step Wall: 9536.19, 0.00395203/step, 0.141175 hours remaining, 114.812500 MB of memory in use. ENERGY: 2371400 620.3453 1847.9439 1943.8413 118.1857 1.3561 -1113.9053 0.0000 0.0000 2687.2591 6105.0261 296.8152 3417.7670 6138.0551 293.9123 PRESSURE: 2371600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2371600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2371600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2371600 0 0 0 0 0 0 0 0 0 TIMING: 2371600 CPU: 9536.98, 0.00395213/step Wall: 9536.98, 0.00395213/step, 0.140959 hours remaining, 114.812500 MB of memory in use. ENERGY: 2371600 648.8620 1836.7054 1933.1663 105.5949 2.9288 -1094.8490 0.0000 0.0000 2628.0442 6060.4525 290.2748 3432.4083 6094.0558 292.9742 PRESSURE: 2371800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2371800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2371800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2371800 0 0 0 0 0 0 0 0 0 TIMING: 2371800 CPU: 9537.77, 0.00395271/step Wall: 9537.77, 0.00395271/step, 0.14076 hours remaining, 114.812500 MB of memory in use. ENERGY: 2371800 613.1883 1808.6739 1944.9807 99.6167 2.0731 -1095.2593 0.0000 0.0000 2696.3256 6069.5990 297.8167 3373.2734 6102.2007 293.5076 PRESSURE: 2372000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2372000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2372000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2372000 0 0 0 0 0 0 0 0 0 TIMING: 2372000 CPU: 9538.56, 0.00394791/step Wall: 9538.56, 0.00394791/step, 0.14037 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2372000 659.5489 1845.7692 1944.7661 113.4837 1.8071 -1107.1882 0.0000 0.0000 2636.8705 6095.0574 291.2497 3458.1869 6124.7022 293.5513 PRESSURE: 2372200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2372200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2372200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2372200 0 0 0 0 0 0 0 0 0 TIMING: 2372200 CPU: 9539.36, 0.00396012/step Wall: 9539.36, 0.00396012/step, 0.140584 hours remaining, 114.812500 MB of memory in use. ENERGY: 2372200 662.5746 1822.8785 1954.5163 108.2122 2.6899 -1140.1056 0.0000 0.0000 2677.4921 6088.2580 295.7365 3410.7659 6122.0753 292.8339 LDB: ============= START OF LOAD BALANCING ============== 9542.32 LDB: ============== END OF LOAD BALANCING =============== 9542.32 LDB: =============== DONE WITH MIGRATION ================ 9542.32 LDB: ============= START OF LOAD BALANCING ============== 9542.71 LDB: ============== END OF LOAD BALANCING =============== 9542.71 LDB: =============== DONE WITH MIGRATION ================ 9542.71 PRESSURE: 2372400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2372400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2372400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2372400 0 0 0 0 0 0 0 0 0 TIMING: 2372400 CPU: 9540.15, 0.00395701/step Wall: 9540.15, 0.00395701/step, 0.140254 hours remaining, 114.812500 MB of memory in use. ENERGY: 2372400 643.2417 1824.3305 1965.3996 111.7990 1.5107 -1076.9901 0.0000 0.0000 2641.5058 6110.7972 291.7617 3469.2914 6141.0980 293.6870 PRESSURE: 2372600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2372600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2372600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2372600 0 0 0 0 0 0 0 0 0 TIMING: 2372600 CPU: 9540.94, 0.00395217/step Wall: 9540.94, 0.00395217/step, 0.139863 hours remaining, 114.812500 MB of memory in use. ENERGY: 2372600 644.1124 1816.8758 1966.9467 110.0504 1.9576 -1109.7229 0.0000 0.0000 2700.9356 6131.1556 298.3259 3430.2200 6162.5023 295.7735 PRESSURE: 2372800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2372800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2372800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2372800 0 0 0 0 0 0 0 0 0 TIMING: 2372800 CPU: 9541.73, 0.00395046/step Wall: 9541.73, 0.00395046/step, 0.139583 hours remaining, 114.812500 MB of memory in use. ENERGY: 2372800 637.6783 1887.4046 1974.3152 109.9142 1.4304 -1112.4625 0.0000 0.0000 2661.6170 6159.8973 293.9830 3498.2802 6192.9029 296.9556 PRESSURE: 2373000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2373000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2373000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2373000 0 0 0 0 0 0 0 0 0 TIMING: 2373000 CPU: 9542.52, 0.00394983/step Wall: 9542.52, 0.00394983/step, 0.139341 hours remaining, 114.812500 MB of memory in use. ENERGY: 2373000 649.2607 1864.7414 1954.8193 118.9463 0.8618 -1089.6728 0.0000 0.0000 2682.1466 6181.1032 296.2506 3498.9566 6213.0247 299.0582 PRESSURE: 2373200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2373200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2373200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2373200 0 0 0 0 0 0 0 0 0 TIMING: 2373200 CPU: 9543.31, 0.00395186/step Wall: 9543.31, 0.00395186/step, 0.139193 hours remaining, 114.812500 MB of memory in use. ENERGY: 2373200 646.3569 1823.5160 1966.8068 104.5730 1.0743 -1102.0756 0.0000 0.0000 2688.4890 6128.7404 296.9511 3440.2514 6163.9137 297.1122 PRESSURE: 2373400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2373400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2373400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2373400 0 0 0 0 0 0 0 0 0 TIMING: 2373400 CPU: 9544.1, 0.00395275/step Wall: 9544.1, 0.00395275/step, 0.139005 hours remaining, 114.812500 MB of memory in use. ENERGY: 2373400 634.3235 1827.7058 1930.7480 106.0571 1.6578 -1056.5900 0.0000 0.0000 2715.0513 6158.9534 299.8850 3443.9021 6192.2265 297.3158 PRESSURE: 2373600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2373600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2373600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2373600 0 0 0 0 0 0 0 0 0 TIMING: 2373600 CPU: 9544.89, 0.00395344/step Wall: 9544.89, 0.00395344/step, 0.13881 hours remaining, 114.812500 MB of memory in use. ENERGY: 2373600 648.1137 1857.4867 1945.4908 112.0060 2.2742 -1079.6518 0.0000 0.0000 2705.7654 6191.4850 298.8593 3485.7196 6225.8025 296.1794 PRESSURE: 2373800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2373800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2373800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2373800 0 0 0 0 0 0 0 0 0 TIMING: 2373800 CPU: 9545.68, 0.00394712/step Wall: 9545.68, 0.00394712/step, 0.138368 hours remaining, 114.812500 MB of memory in use. ENERGY: 2373800 665.1898 1802.2936 1970.5553 112.5323 1.0917 -1128.8521 0.0000 0.0000 2732.5798 6155.3904 301.8211 3422.8105 6189.3602 296.5862 PRESSURE: 2374000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2374000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2374000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2374000 0 0 0 0 0 0 0 0 0 TIMING: 2374000 CPU: 9546.47, 0.00395411/step Wall: 9546.47, 0.00395411/step, 0.138394 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2374000 648.4833 1833.7194 1959.2340 100.6414 1.9344 -1076.8519 0.0000 0.0000 2681.9586 6149.1191 296.2298 3467.1605 6182.4786 297.6651 PRESSURE: 2374200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2374200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2374200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2374200 0 0 0 0 0 0 0 0 0 TIMING: 2374200 CPU: 9547.26, 0.00395334/step Wall: 9547.26, 0.00395334/step, 0.138147 hours remaining, 114.812500 MB of memory in use. ENERGY: 2374200 652.7472 1838.8478 1979.7404 119.5002 2.6636 -1141.9773 0.0000 0.0000 2716.0133 6167.5353 299.9912 3451.5219 6203.3770 298.2684 PRESSURE: 2374400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2374400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2374400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2374400 0 0 0 0 0 0 0 0 0 TIMING: 2374400 CPU: 9548.05, 0.0039527/step Wall: 9548.05, 0.0039527/step, 0.137905 hours remaining, 114.812500 MB of memory in use. ENERGY: 2374400 642.3933 1901.0367 1943.2442 122.6159 0.1615 -1115.2505 0.0000 0.0000 2651.7961 6145.9971 292.8983 3494.2010 6176.5413 296.2087 PRESSURE: 2374600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2374600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2374600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2374600 0 0 0 0 0 0 0 0 0 TIMING: 2374600 CPU: 9548.84, 0.00395217/step Wall: 9548.84, 0.00395217/step, 0.137667 hours remaining, 114.812500 MB of memory in use. ENERGY: 2374600 652.9545 1806.1953 1983.6717 104.7975 3.0230 -1113.9723 0.0000 0.0000 2727.3921 6164.0619 301.2481 3436.6698 6197.3906 297.8541 PRESSURE: 2374800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2374800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2374800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2374800 0 0 0 0 0 0 0 0 0 TIMING: 2374800 CPU: 9549.63, 0.00394617/step Wall: 9549.63, 0.00394617/step, 0.137239 hours remaining, 114.812500 MB of memory in use. ENERGY: 2374800 638.7839 1831.8209 1988.8348 105.0017 0.9022 -1090.1468 0.0000 0.0000 2684.4844 6159.6811 296.5088 3475.1967 6193.2260 297.3845 PRESSURE: 2375000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2375000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2375000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2375000 0 0 0 0 0 0 0 0 0 TIMING: 2375000 CPU: 9550.42, 0.00395301/step Wall: 9550.42, 0.003953/step, 0.137257 hours remaining, 114.812500 MB of memory in use. ENERGY: 2375000 647.9589 1877.8492 1978.1617 111.8569 2.3388 -1151.9210 0.0000 0.0000 2717.4153 6183.6599 300.1461 3466.2447 6212.8077 298.3529 PRESSURE: 2375200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2375200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2375200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2375200 0 0 0 0 0 0 0 0 0 TIMING: 2375200 CPU: 9551.21, 0.0039553/step Wall: 9551.21, 0.00395531/step, 0.137117 hours remaining, 114.812500 MB of memory in use. ENERGY: 2375200 678.8907 1885.9956 1977.9874 105.1021 1.2426 -1133.3345 0.0000 0.0000 2666.8867 6182.7705 294.5651 3515.8838 6211.0677 298.3657 PRESSURE: 2375400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2375400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2375400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2375400 0 0 0 0 0 0 0 0 0 TIMING: 2375400 CPU: 9552, 0.00395298/step Wall: 9552, 0.00395298/step, 0.136817 hours remaining, 114.812500 MB of memory in use. ENERGY: 2375400 686.5123 1857.0653 1967.8146 102.6381 3.3356 -1133.4375 0.0000 0.0000 2727.9804 6211.9087 301.3130 3483.9284 6244.3825 299.4876 PRESSURE: 2375600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2375600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2375600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2375600 0 0 0 0 0 0 0 0 0 TIMING: 2375600 CPU: 9552.79, 0.0039546/step Wall: 9552.79, 0.0039546/step, 0.136653 hours remaining, 114.812500 MB of memory in use. ENERGY: 2375600 652.5353 1853.7016 1987.6351 106.6235 1.2664 -1093.6994 0.0000 0.0000 2745.8764 6253.9390 303.2897 3508.0626 6286.5393 301.3668 PRESSURE: 2375800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2375800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2375800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2375800 0 0 0 0 0 0 0 0 0 TIMING: 2375800 CPU: 9553.58, 0.00394687/step Wall: 9553.58, 0.00394686/step, 0.136167 hours remaining, 114.812500 MB of memory in use. ENERGY: 2375800 662.6908 1853.0362 1948.3458 105.6845 1.5368 -1079.4427 0.0000 0.0000 2734.3110 6226.1626 302.0123 3491.8516 6261.8778 300.8118 PRESSURE: 2376000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2376000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2376000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2376000 0 0 0 0 0 0 0 0 0 TIMING: 2376000 CPU: 9554.37, 0.00395392/step Wall: 9554.37, 0.00395393/step, 0.136191 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2376000 663.0495 1886.5271 1956.8044 124.2548 1.7962 -1120.0699 0.0000 0.0000 2721.6022 6233.9644 300.6085 3512.3622 6267.4034 300.1913 PRESSURE: 2376200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2376200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2376200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2376200 0 0 0 0 0 0 0 0 0 TIMING: 2376200 CPU: 9555.16, 0.00395416/step Wall: 9555.16, 0.00395416/step, 0.135979 hours remaining, 114.812500 MB of memory in use. ENERGY: 2376200 655.2545 1834.2710 1951.7083 121.7488 2.1167 -1103.8173 0.0000 0.0000 2698.5621 6159.8441 298.0637 3461.2820 6194.4829 299.3736 LDB: ============= START OF LOAD BALANCING ============== 9558.12 LDB: ============== END OF LOAD BALANCING =============== 9558.12 LDB: =============== DONE WITH MIGRATION ================ 9558.12 LDB: ============= START OF LOAD BALANCING ============== 9558.52 LDB: ============== END OF LOAD BALANCING =============== 9558.52 LDB: =============== DONE WITH MIGRATION ================ 9558.52 PRESSURE: 2376400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2376400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2376400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2376400 0 0 0 0 0 0 0 0 0 TIMING: 2376400 CPU: 9555.96, 0.00395998/step Wall: 9555.96, 0.00395998/step, 0.135959 hours remaining, 114.812500 MB of memory in use. ENERGY: 2376400 636.4773 1845.2052 1943.7970 113.3574 3.0209 -1059.1935 0.0000 0.0000 2681.5085 6164.1727 296.1801 3482.6642 6196.0521 295.6740 PRESSURE: 2376600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2376600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2376600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2376600 0 0 0 0 0 0 0 0 0 TIMING: 2376600 CPU: 9556.75, 0.00394898/step Wall: 9556.75, 0.00394898/step, 0.135362 hours remaining, 114.812500 MB of memory in use. ENERGY: 2376600 633.1646 1863.9083 1915.9891 97.3247 5.0405 -1080.0534 0.0000 0.0000 2719.1485 6154.5224 300.3375 3435.3739 6186.6201 296.6079 PRESSURE: 2376800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2376800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2376800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2376800 0 0 0 0 0 0 0 0 0 TIMING: 2376800 CPU: 9557.54, 0.00395401/step Wall: 9557.54, 0.00395401/step, 0.135315 hours remaining, 114.812500 MB of memory in use. ENERGY: 2376800 623.2365 1919.9810 1946.7717 106.0685 2.4313 -1104.7218 0.0000 0.0000 2708.0206 6201.7877 299.1084 3493.7671 6234.1798 297.6736 PRESSURE: 2377000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2377000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2377000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2377000 0 0 0 0 0 0 0 0 0 TIMING: 2377000 CPU: 9558.33, 0.00395382/step Wall: 9558.33, 0.00395382/step, 0.135089 hours remaining, 114.812500 MB of memory in use. ENERGY: 2377000 655.4878 1874.2058 1960.8932 104.8944 2.3791 -1085.5895 0.0000 0.0000 2705.9148 6218.1856 298.8758 3512.2708 6252.2001 299.0312 PRESSURE: 2377200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2377200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2377200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2377200 0 0 0 0 0 0 0 0 0 TIMING: 2377200 CPU: 9559.12, 0.00395478/step Wall: 9559.12, 0.00395478/step, 0.134902 hours remaining, 114.812500 MB of memory in use. ENERGY: 2377200 650.7200 1897.5351 1958.9393 106.9491 2.5935 -1086.3294 0.0000 0.0000 2723.2349 6253.6426 300.7889 3530.4077 6287.1166 301.9308 PRESSURE: 2377400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2377400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2377400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2377400 0 0 0 0 0 0 0 0 0 TIMING: 2377400 CPU: 9559.91, 0.00395491/step Wall: 9559.91, 0.00395491/step, 0.134687 hours remaining, 114.812500 MB of memory in use. ENERGY: 2377400 695.1379 1895.5969 1967.1005 112.4231 2.5907 -1096.4019 0.0000 0.0000 2726.1272 6302.5745 301.1083 3576.4472 6333.9219 303.1245 PRESSURE: 2377600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2377600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2377600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2377600 0 0 0 0 0 0 0 0 0 TIMING: 2377600 CPU: 9560.7, 0.00394732/step Wall: 9560.7, 0.00394732/step, 0.134209 hours remaining, 114.812500 MB of memory in use. ENERGY: 2377600 660.6579 1896.0416 1961.5353 105.1011 2.8472 -1074.7312 0.0000 0.0000 2740.9591 6292.4110 302.7466 3551.4519 6325.0070 305.1043 PRESSURE: 2377800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2377800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2377800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2377800 0 0 0 0 0 0 0 0 0 TIMING: 2377800 CPU: 9561.49, 0.00395591/step Wall: 9561.49, 0.00395591/step, 0.134281 hours remaining, 114.812500 MB of memory in use. ENERGY: 2377800 675.8091 1882.1117 1922.2998 98.9749 1.5540 -1106.2023 0.0000 0.0000 2781.0492 6255.5964 307.1746 3474.5472 6289.4408 302.6976 PRESSURE: 2378000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2378000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2378000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2378000 0 0 0 0 0 0 0 0 0 TIMING: 2378000 CPU: 9562.28, 0.00395599/step Wall: 9562.28, 0.00395599/step, 0.134064 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2378000 686.0333 1828.1588 1966.9634 109.4550 1.5154 -1095.9148 0.0000 0.0000 2750.7676 6246.9787 303.8299 3496.2111 6282.0910 304.0985 PRESSURE: 2378200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2378200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2378200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2378200 0 0 0 0 0 0 0 0 0 TIMING: 2378200 CPU: 9563.07, 0.00395594/step Wall: 9563.07, 0.00395594/step, 0.133843 hours remaining, 114.812500 MB of memory in use. ENERGY: 2378200 632.8680 1898.4223 1973.3111 108.6937 2.8774 -1107.6042 0.0000 0.0000 2685.9840 6194.5523 296.6744 3508.5683 6226.8233 300.8376 PRESSURE: 2378400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2378400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2378400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2378400 0 0 0 0 0 0 0 0 0 TIMING: 2378400 CPU: 9563.86, 0.00395348/step Wall: 9563.86, 0.00395348/step, 0.13354 hours remaining, 114.812500 MB of memory in use. ENERGY: 2378400 654.7224 1887.9406 1953.4704 113.9869 0.5349 -1108.7705 0.0000 0.0000 2656.7062 6158.5909 293.4406 3501.8847 6190.0656 297.8856 PRESSURE: 2378600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2378600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2378600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2378600 0 0 0 0 0 0 0 0 0 TIMING: 2378600 CPU: 9564.65, 0.00394711/step Wall: 9564.65, 0.00394711/step, 0.133105 hours remaining, 114.812500 MB of memory in use. ENERGY: 2378600 625.3803 1801.0523 1974.1656 108.5371 0.9138 -1080.3894 0.0000 0.0000 2691.1244 6120.7839 297.2422 3429.6596 6155.1884 296.6563 PRESSURE: 2378800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2378800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2378800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2378800 0 0 0 0 0 0 0 0 0 TIMING: 2378800 CPU: 9565.44, 0.00395522/step Wall: 9565.44, 0.00395522/step, 0.133159 hours remaining, 114.812500 MB of memory in use. ENERGY: 2378800 653.2881 1868.3695 1989.3007 102.1815 1.0902 -1094.1417 0.0000 0.0000 2711.1651 6231.2536 299.4557 3520.0885 6265.6874 297.8606 PRESSURE: 2379000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2379000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2379000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2379000 0 0 0 0 0 0 0 0 0 TIMING: 2379000 CPU: 9566.23, 0.0039543/step Wall: 9566.23, 0.0039543/step, 0.132908 hours remaining, 114.812500 MB of memory in use. ENERGY: 2379000 630.7153 1836.4343 1963.7506 107.0144 2.4224 -1074.7745 0.0000 0.0000 2675.7420 6141.3046 295.5432 3465.5625 6173.8189 298.2417 PRESSURE: 2379200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2379200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2379200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2379200 0 0 0 0 0 0 0 0 0 TIMING: 2379200 CPU: 9567.03, 0.00395476/step Wall: 9567.03, 0.00395476/step, 0.132704 hours remaining, 114.812500 MB of memory in use. ENERGY: 2379200 650.2398 1821.3181 1963.2826 93.2660 2.4889 -1066.2683 0.0000 0.0000 2721.5743 6185.9013 300.6055 3464.3270 6220.7955 297.1140 PRESSURE: 2379400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2379400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2379400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2379400 0 0 0 0 0 0 0 0 0 TIMING: 2379400 CPU: 9567.82, 0.00395251/step Wall: 9567.82, 0.00395251/step, 0.132409 hours remaining, 114.812500 MB of memory in use. ENERGY: 2379400 652.4707 1862.9004 1955.3626 108.5236 2.1877 -1076.3557 0.0000 0.0000 2703.7244 6208.8136 298.6339 3505.0892 6241.5241 298.6802 PRESSURE: 2379600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2379600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2379600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2379600 0 0 0 0 0 0 0 0 0 TIMING: 2379600 CPU: 9568.61, 0.00394705/step Wall: 9568.61, 0.00394705/step, 0.132007 hours remaining, 114.812500 MB of memory in use. ENERGY: 2379600 690.3900 1874.7590 1966.7635 102.7437 2.8682 -1105.4662 0.0000 0.0000 2673.1889 6205.2471 295.2612 3532.0581 6236.0182 297.6773 PRESSURE: 2379800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2379800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2379800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2379800 0 0 0 0 0 0 0 0 0 TIMING: 2379800 CPU: 9569.4, 0.00395298/step Wall: 9569.4, 0.00395298/step, 0.131985 hours remaining, 114.812500 MB of memory in use. ENERGY: 2379800 659.2181 1849.1904 1970.2325 103.7062 1.5859 -1063.8076 0.0000 0.0000 2709.4928 6229.6183 299.2710 3520.1255 6260.4516 299.4794 PRESSURE: 2380000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2380000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2380000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2380000 0 0 0 0 0 0 0 0 0 TIMING: 2380000 CPU: 9570.19, 0.00395458/step Wall: 9570.19, 0.00395458/step, 0.131819 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2380000 653.0304 1868.8305 1966.3834 114.1372 3.1680 -1086.3922 0.0000 0.0000 2681.3508 6200.5082 296.1627 3519.1574 6231.1902 298.8196 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2380000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2380000 WRITING COORDINATES TO RESTART FILE AT STEP 2380000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2380000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2380200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2380200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2380200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2380200 0 0 0 0 0 0 0 0 0 TIMING: 2380200 CPU: 9571.03, 0.00421765/step Wall: 9571.03, 0.00421765/step, 0.140354 hours remaining, 114.812500 MB of memory in use. ENERGY: 2380200 683.8582 1818.0195 1965.5494 100.6830 1.6180 -1102.0592 0.0000 0.0000 2791.0263 6258.6952 308.2766 3467.6689 6297.3624 300.9005 LDB: ============= START OF LOAD BALANCING ============== 9573.99 LDB: ============== END OF LOAD BALANCING =============== 9573.99 LDB: =============== DONE WITH MIGRATION ================ 9573.99 LDB: ============= START OF LOAD BALANCING ============== 9574.39 LDB: ============== END OF LOAD BALANCING =============== 9574.39 LDB: =============== DONE WITH MIGRATION ================ 9574.39 PRESSURE: 2380400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2380400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2380400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2380400 0 0 0 0 0 0 0 0 0 TIMING: 2380400 CPU: 9571.82, 0.00395965/step Wall: 9571.82, 0.00395965/step, 0.131548 hours remaining, 114.812500 MB of memory in use. ENERGY: 2380400 662.4943 1880.1242 1977.5347 107.0408 2.6915 -1102.8541 0.0000 0.0000 2750.6100 6277.6415 303.8125 3527.0315 6309.2921 303.4089 PRESSURE: 2380600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2380600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2380600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2380600 0 0 0 0 0 0 0 0 0 TIMING: 2380600 CPU: 9572.61, 0.00394808/step Wall: 9572.61, 0.00394808/step, 0.130945 hours remaining, 114.812500 MB of memory in use. ENERGY: 2380600 674.4671 1868.6169 1949.2437 98.9003 3.9500 -1074.0673 0.0000 0.0000 2709.4597 6230.5703 299.2674 3521.1106 6264.8709 301.7010 PRESSURE: 2380800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2380800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2380800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2380800 0 0 0 0 0 0 0 0 0 TIMING: 2380800 CPU: 9573.4, 0.00395478/step Wall: 9573.4, 0.00395478/step, 0.130947 hours remaining, 114.812500 MB of memory in use. ENERGY: 2380800 660.5301 1838.1633 1945.1597 111.3892 3.2302 -1070.7454 0.0000 0.0000 2784.6177 6272.3448 307.5688 3487.7271 6308.8379 301.9805 PRESSURE: 2381000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2381000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2381000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2381000 0 0 0 0 0 0 0 0 0 TIMING: 2381000 CPU: 9574.19, 0.00395473/step Wall: 9574.19, 0.00395473/step, 0.130726 hours remaining, 114.812500 MB of memory in use. ENERGY: 2381000 699.9373 1893.6369 1934.6236 113.6771 1.3728 -1053.8048 0.0000 0.0000 2681.9931 6271.4361 296.2336 3589.4430 6300.5172 304.2735 PRESSURE: 2381200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2381200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2381200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2381200 0 0 0 0 0 0 0 0 0 TIMING: 2381200 CPU: 9574.98, 0.00395319/step Wall: 9574.98, 0.00395319/step, 0.130455 hours remaining, 114.812500 MB of memory in use. ENERGY: 2381200 701.3156 1852.9246 1961.4545 108.3085 2.1932 -1109.0464 0.0000 0.0000 2764.1490 6281.2991 305.3080 3517.1501 6315.5239 302.8276 PRESSURE: 2381400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2381400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2381400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2381400 0 0 0 0 0 0 0 0 0 TIMING: 2381400 CPU: 9575.77, 0.00394607/step Wall: 9575.77, 0.00394607/step, 0.130001 hours remaining, 114.812500 MB of memory in use. ENERGY: 2381400 660.4697 1885.7598 1997.0304 105.2401 1.4890 -1075.2323 0.0000 0.0000 2744.4343 6319.1911 303.1304 3574.7568 6353.2432 304.3597 PRESSURE: 2381600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2381600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2381600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2381600 0 0 0 0 0 0 0 0 0 TIMING: 2381600 CPU: 9576.56, 0.00395228/step Wall: 9576.56, 0.00395228/step, 0.129986 hours remaining, 114.812500 MB of memory in use. ENERGY: 2381600 669.4843 1897.0448 1964.0352 115.0234 2.2631 -1071.3814 0.0000 0.0000 2803.5519 6380.0213 309.6601 3576.4694 6413.8365 307.1418 PRESSURE: 2381800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2381800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2381800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2381800 0 0 0 0 0 0 0 0 0 TIMING: 2381800 CPU: 9577.35, 0.00395152/step Wall: 9577.35, 0.00395152/step, 0.129742 hours remaining, 114.812500 MB of memory in use. ENERGY: 2381800 674.1294 1915.7363 1974.1088 106.3743 2.4599 -1060.8450 0.0000 0.0000 2737.3004 6349.2640 302.3425 3611.9636 6382.6736 306.0488 PRESSURE: 2382000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2382000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2382000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2382000 0 0 0 0 0 0 0 0 0 TIMING: 2382000 CPU: 9578.14, 0.00395138/step Wall: 9578.14, 0.00395138/step, 0.129517 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2382000 654.8271 1891.5427 1986.8750 111.9186 2.9242 -1074.8962 0.0000 0.0000 2782.4527 6355.6441 307.3297 3573.1914 6391.3722 307.8757 PRESSURE: 2382200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2382200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2382200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2382200 0 0 0 0 0 0 0 0 0 TIMING: 2382200 CPU: 9578.94, 0.00395833/step Wall: 9578.94, 0.00395833/step, 0.129525 hours remaining, 114.812500 MB of memory in use. ENERGY: 2382200 635.4050 1839.1332 2003.9124 114.8445 3.9646 -1082.9945 0.0000 0.0000 2758.9631 6273.2283 304.7352 3514.2652 6309.2574 306.3251 PRESSURE: 2382400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2382400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2382400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2382400 0 0 0 0 0 0 0 0 0 TIMING: 2382400 CPU: 9579.73, 0.00394864/step Wall: 9579.73, 0.00394864/step, 0.128989 hours remaining, 114.812500 MB of memory in use. ENERGY: 2382400 677.0782 1858.2595 2010.3644 111.1535 3.9005 -1094.2946 0.0000 0.0000 2715.9603 6282.4218 299.9854 3566.4615 6314.7085 302.7569 PRESSURE: 2382600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2382600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2382600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2382600 0 0 0 0 0 0 0 0 0 TIMING: 2382600 CPU: 9580.52, 0.00395204/step Wall: 9580.52, 0.00395204/step, 0.12888 hours remaining, 114.812500 MB of memory in use. ENERGY: 2382600 676.9378 1855.5421 1978.5123 101.8765 2.8328 -1105.7365 0.0000 0.0000 2744.0966 6254.0616 303.0931 3509.9650 6289.1716 301.8808 PRESSURE: 2382800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2382800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2382800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2382800 0 0 0 0 0 0 0 0 0 TIMING: 2382800 CPU: 9581.31, 0.00395212/step Wall: 9581.31, 0.00395212/step, 0.128663 hours remaining, 114.812500 MB of memory in use. ENERGY: 2382800 649.7588 1882.6349 1979.8511 105.2005 1.4374 -1089.5787 0.0000 0.0000 2711.1789 6240.4829 299.4573 3529.3040 6276.0697 302.8858 PRESSURE: 2383000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2383000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2383000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2383000 0 0 0 0 0 0 0 0 0 TIMING: 2383000 CPU: 9582.1, 0.00395014/step Wall: 9582.1, 0.00395014/step, 0.12838 hours remaining, 114.812500 MB of memory in use. ENERGY: 2383000 642.5183 1898.3408 1985.5380 103.8334 3.5204 -1094.4790 0.0000 0.0000 2727.8541 6267.1261 301.2991 3539.2719 6299.3039 301.6549 PRESSURE: 2383200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2383200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2383200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2383200 0 0 0 0 0 0 0 0 0 TIMING: 2383200 CPU: 9582.89, 0.00395087/step Wall: 9582.89, 0.00395087/step, 0.128184 hours remaining, 114.812500 MB of memory in use. ENERGY: 2383200 633.2362 1818.6132 1967.5670 104.4224 4.2463 -1073.6315 0.0000 0.0000 2751.5574 6206.0111 303.9172 3454.4536 6236.8700 301.6609 PRESSURE: 2383400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2383400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2383400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2383400 0 0 0 0 0 0 0 0 0 TIMING: 2383400 CPU: 9583.68, 0.00394722/step Wall: 9583.68, 0.00394722/step, 0.127846 hours remaining, 114.812500 MB of memory in use. ENERGY: 2383400 625.5098 1824.7009 1964.1019 116.8719 1.9457 -1080.8552 0.0000 0.0000 2676.5682 6128.8431 295.6344 3452.2749 6159.5209 295.9442 PRESSURE: 2383600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2383600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2383600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2383600 0 0 0 0 0 0 0 0 0 TIMING: 2383600 CPU: 9584.47, 0.0039515/step Wall: 9584.47, 0.0039515/step, 0.127765 hours remaining, 114.812500 MB of memory in use. ENERGY: 2383600 645.4048 1859.7451 1953.4522 116.8944 2.8110 -1101.5338 0.0000 0.0000 2718.3933 6195.1670 300.2541 3476.7737 6229.6599 296.7852 PRESSURE: 2383800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2383800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2383800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2383800 0 0 0 0 0 0 0 0 0 TIMING: 2383800 CPU: 9585.26, 0.00395173/step Wall: 9585.26, 0.00395173/step, 0.127553 hours remaining, 114.812500 MB of memory in use. ENERGY: 2383800 690.0906 1862.0239 1933.4435 110.4943 1.5240 -1084.6707 0.0000 0.0000 2672.8627 6185.7685 295.2251 3512.9057 6215.7037 298.4888 PRESSURE: 2384000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2384000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2384000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2384000 0 0 0 0 0 0 0 0 0 TIMING: 2384000 CPU: 9586.05, 0.00395162/step Wall: 9586.05, 0.00395162/step, 0.12733 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2384000 680.7022 1822.0360 1971.8271 107.1334 2.2810 -1105.6208 0.0000 0.0000 2750.7192 6229.0781 303.8246 3478.3589 6264.3186 299.1439 PRESSURE: 2384200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2384200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2384200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2384200 0 0 0 0 0 0 0 0 0 TIMING: 2384200 CPU: 9586.84, 0.00395753/step Wall: 9586.84, 0.00395753/step, 0.127301 hours remaining, 114.812500 MB of memory in use. ENERGY: 2384200 665.1053 1851.9319 1972.0453 106.7458 2.2137 -1065.5587 0.0000 0.0000 2717.8379 6250.3211 300.1928 3532.4832 6283.9203 299.5531 LDB: ============= START OF LOAD BALANCING ============== 9589.8 LDB: ============== END OF LOAD BALANCING =============== 9589.8 LDB: =============== DONE WITH MIGRATION ================ 9589.8 LDB: ============= START OF LOAD BALANCING ============== 9590.19 LDB: ============== END OF LOAD BALANCING =============== 9590.19 LDB: =============== DONE WITH MIGRATION ================ 9590.19 PRESSURE: 2384400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2384400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2384400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2384400 0 0 0 0 0 0 0 0 0 TIMING: 2384400 CPU: 9587.63, 0.00395714/step Wall: 9587.63, 0.00395714/step, 0.127068 hours remaining, 114.812500 MB of memory in use. ENERGY: 2384400 640.3968 1866.2734 1931.1955 113.1657 2.8174 -1071.1375 0.0000 0.0000 2710.5017 6193.2129 299.3825 3482.7112 6228.1940 302.0929 PRESSURE: 2384600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2384600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2384600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2384600 0 0 0 0 0 0 0 0 0 TIMING: 2384600 CPU: 9588.42, 0.00395365/step Wall: 9588.42, 0.00395365/step, 0.126736 hours remaining, 114.812500 MB of memory in use. ENERGY: 2384600 657.3196 1858.6212 1939.0564 103.4679 3.4166 -1037.1044 0.0000 0.0000 2683.4024 6208.1797 296.3893 3524.7773 6241.9478 297.3379 PRESSURE: 2384800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2384800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2384800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2384800 0 0 0 0 0 0 0 0 0 TIMING: 2384800 CPU: 9589.21, 0.00395149/step Wall: 9589.21, 0.00395149/step, 0.126448 hours remaining, 114.812500 MB of memory in use. ENERGY: 2384800 646.1587 1828.7207 1965.3575 102.9196 2.8456 -1059.8389 0.0000 0.0000 2702.8081 6188.9713 298.5327 3486.1632 6223.6187 297.0413 PRESSURE: 2385000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2385000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2385000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2385000 0 0 0 0 0 0 0 0 0 TIMING: 2385000 CPU: 9590, 0.00395219/step Wall: 9590, 0.00395219/step, 0.126251 hours remaining, 114.812500 MB of memory in use. ENERGY: 2385000 637.3575 1826.3422 1948.5964 108.9767 2.5706 -1086.0620 0.0000 0.0000 2695.9296 6133.7111 297.7729 3437.7815 6165.7679 295.6677 PRESSURE: 2385200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2385200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2385200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2385200 0 0 0 0 0 0 0 0 0 TIMING: 2385200 CPU: 9590.79, 0.00394817/step Wall: 9590.79, 0.00394817/step, 0.125903 hours remaining, 114.812500 MB of memory in use. ENERGY: 2385200 671.0774 1849.2120 1939.6734 110.1422 2.3263 -1062.7068 0.0000 0.0000 2639.4907 6149.2152 291.5391 3509.7244 6179.5918 293.9902 PRESSURE: 2385400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2385400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2385400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2385400 0 0 0 0 0 0 0 0 0 TIMING: 2385400 CPU: 9591.58, 0.00395433/step Wall: 9591.58, 0.00395433/step, 0.125879 hours remaining, 114.812500 MB of memory in use. ENERGY: 2385400 633.1152 1830.6014 1951.5178 89.5086 2.8520 -1068.5687 0.0000 0.0000 2696.0338 6135.0602 297.7844 3439.0264 6169.9112 293.4447 PRESSURE: 2385600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2385600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2385600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2385600 0 0 0 0 0 0 0 0 0 TIMING: 2385600 CPU: 9592.37, 0.00395265/step Wall: 9592.37, 0.00395265/step, 0.125607 hours remaining, 114.812500 MB of memory in use. ENERGY: 2385600 640.3498 1811.1027 1956.1121 98.6200 1.9371 -1093.3520 0.0000 0.0000 2695.7814 6110.5511 297.7566 3414.7697 6141.1812 294.6520 PRESSURE: 2385800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2385800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2385800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2385800 0 0 0 0 0 0 0 0 0 TIMING: 2385800 CPU: 9593.16, 0.00395436/step Wall: 9593.16, 0.00395436/step, 0.125441 hours remaining, 114.812500 MB of memory in use. ENERGY: 2385800 646.7791 1841.8606 1946.6159 107.9240 2.6714 -1071.2836 0.0000 0.0000 2624.6731 6099.2405 289.9025 3474.5674 6133.6178 292.5317 PRESSURE: 2386000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2386000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2386000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2386000 0 0 0 0 0 0 0 0 0 TIMING: 2386000 CPU: 9593.95, 0.0039525/step Wall: 9593.95, 0.0039525/step, 0.125163 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2386000 637.2686 1849.1789 1914.2270 113.5484 1.9357 -1072.1791 0.0000 0.0000 2664.5086 6108.4882 294.3024 3443.9796 6140.3618 292.9633 PRESSURE: 2386200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2386200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2386200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2386200 0 0 0 0 0 0 0 0 0 TIMING: 2386200 CPU: 9594.74, 0.00394863/step Wall: 9594.74, 0.00394863/step, 0.124821 hours remaining, 114.812500 MB of memory in use. ENERGY: 2386200 634.1639 1857.6350 1938.4077 97.3737 2.7722 -1093.9155 0.0000 0.0000 2687.1466 6123.5836 296.8028 3436.4370 6158.4444 294.3354 PRESSURE: 2386400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2386400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2386400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2386400 0 0 0 0 0 0 0 0 0 TIMING: 2386400 CPU: 9595.53, 0.0039536/step Wall: 9595.53, 0.00395359/step, 0.124758 hours remaining, 114.812500 MB of memory in use. ENERGY: 2386400 659.7218 1831.3267 1981.8603 120.6934 1.6569 -1101.6690 0.0000 0.0000 2656.5747 6150.1648 293.4261 3493.5901 6184.0547 294.8721 PRESSURE: 2386600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2386600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2386600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2386600 0 0 0 0 0 0 0 0 0 TIMING: 2386600 CPU: 9596.33, 0.00395247/step Wall: 9596.33, 0.00395247/step, 0.124503 hours remaining, 114.812500 MB of memory in use. ENERGY: 2386600 672.5830 1824.2515 1970.8853 103.5022 0.8104 -1094.4634 0.0000 0.0000 2740.0017 6217.5708 302.6408 3477.5690 6252.8054 296.8553 PRESSURE: 2386800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2386800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2386800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2386800 0 0 0 0 0 0 0 0 0 TIMING: 2386800 CPU: 9597.12, 0.00395204/step Wall: 9597.12, 0.00395204/step, 0.12427 hours remaining, 114.812500 MB of memory in use. ENERGY: 2386800 654.6168 1872.5076 1968.1216 99.4589 1.8207 -1095.3893 0.0000 0.0000 2690.5921 6191.7283 297.1834 3501.1362 6224.5093 298.4159 PRESSURE: 2387000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2387000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2387000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2387000 0 0 0 0 0 0 0 0 0 TIMING: 2387000 CPU: 9597.91, 0.00395067/step Wall: 9597.91, 0.00395067/step, 0.124007 hours remaining, 114.812500 MB of memory in use. ENERGY: 2387000 687.4206 1848.3497 1940.5251 119.3402 1.3725 -1106.8962 0.0000 0.0000 2690.7523 6180.8643 297.2011 3490.1120 6213.3581 298.4332 PRESSURE: 2387200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2387200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2387200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2387200 0 0 0 0 0 0 0 0 0 TIMING: 2387200 CPU: 9598.7, 0.00394763/step Wall: 9598.7, 0.00394763/step, 0.123692 hours remaining, 114.812500 MB of memory in use. ENERGY: 2387200 662.5261 1853.3099 1953.3443 112.1182 2.4494 -1129.2004 0.0000 0.0000 2711.3891 6165.9367 299.4805 3454.5475 6200.1901 298.1391 PRESSURE: 2387400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2387400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2387400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2387400 0 0 0 0 0 0 0 0 0 TIMING: 2387400 CPU: 9599.49, 0.00395265/step Wall: 9599.49, 0.00395265/step, 0.12363 hours remaining, 114.812500 MB of memory in use. ENERGY: 2387400 668.4795 1858.7243 1955.5964 109.2895 1.7948 -1099.9503 0.0000 0.0000 2701.6091 6195.5433 298.4002 3493.9342 6228.5093 297.3630 PRESSURE: 2387600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2387600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2387600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2387600 0 0 0 0 0 0 0 0 0 TIMING: 2387600 CPU: 9600.28, 0.00395326/step Wall: 9600.28, 0.00395326/step, 0.12343 hours remaining, 114.812500 MB of memory in use. ENERGY: 2387600 629.7765 1889.3681 1971.2730 116.9037 0.3023 -1103.5858 0.0000 0.0000 2758.9700 6263.0079 304.7359 3504.0379 6296.4838 302.6105 PRESSURE: 2387800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2387800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2387800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2387800 0 0 0 0 0 0 0 0 0 TIMING: 2387800 CPU: 9601.07, 0.00395404/step Wall: 9601.07, 0.00395404/step, 0.123234 hours remaining, 114.812500 MB of memory in use. ENERGY: 2387800 671.2518 1901.9256 1951.1310 108.3424 2.1956 -1104.8556 0.0000 0.0000 2696.0308 6226.0217 297.7841 3529.9909 6261.6282 300.8787 PRESSURE: 2388000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2388000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2388000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2388000 0 0 0 0 0 0 0 0 0 TIMING: 2388000 CPU: 9601.86, 0.00395251/step Wall: 9601.86, 0.00395251/step, 0.122967 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2388000 656.1564 1845.9948 1957.2340 104.6305 -0.2815 -1079.1350 0.0000 0.0000 2745.1727 6229.7720 303.2120 3484.5993 6265.8983 299.5967 PRESSURE: 2388200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2388200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2388200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2388200 0 0 0 0 0 0 0 0 0 TIMING: 2388200 CPU: 9602.65, 0.00394776/step Wall: 9602.65, 0.00394776/step, 0.1226 hours remaining, 114.812500 MB of memory in use. ENERGY: 2388200 663.0675 1915.3996 1952.6849 117.4911 2.2568 -1114.5336 0.0000 0.0000 2739.9527 6276.3191 302.6354 3536.3664 6307.8211 301.6060 LDB: ============= START OF LOAD BALANCING ============== 9605.61 LDB: ============== END OF LOAD BALANCING =============== 9605.61 LDB: =============== DONE WITH MIGRATION ================ 9605.61 LDB: ============= START OF LOAD BALANCING ============== 9606 LDB: ============== END OF LOAD BALANCING =============== 9606 LDB: =============== DONE WITH MIGRATION ================ 9606 PRESSURE: 2388400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2388400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2388400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2388400 0 0 0 0 0 0 0 0 0 TIMING: 2388400 CPU: 9603.44, 0.00395626/step Wall: 9603.44, 0.00395626/step, 0.122644 hours remaining, 114.812500 MB of memory in use. ENERGY: 2388400 658.9135 1827.1547 1973.2656 103.7780 2.7993 -1076.6181 0.0000 0.0000 2802.5809 6291.8738 309.5529 3489.2929 6329.3419 303.7409 PRESSURE: 2388600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2388600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2388600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2388600 0 0 0 0 0 0 0 0 0 TIMING: 2388600 CPU: 9604.23, 0.00395188/step Wall: 9604.23, 0.00395188/step, 0.122289 hours remaining, 114.812500 MB of memory in use. ENERGY: 2388600 659.8360 1864.0383 1974.2357 111.6853 3.0977 -1080.4856 0.0000 0.0000 2740.7873 6273.1947 302.7276 3532.4074 6304.3648 302.8362 PRESSURE: 2388800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2388800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2388800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2388800 0 0 0 0 0 0 0 0 0 TIMING: 2388800 CPU: 9605.02, 0.0039527/step Wall: 9605.02, 0.0039527/step, 0.122095 hours remaining, 114.812500 MB of memory in use. ENERGY: 2388800 664.0296 1889.3618 1958.8937 120.0658 1.9712 -1099.4561 0.0000 0.0000 2728.4376 6263.3036 301.3635 3534.8659 6299.0001 302.1546 PRESSURE: 2389000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2389000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2389000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2389000 0 0 0 0 0 0 0 0 0 TIMING: 2389000 CPU: 9605.81, 0.00394646/step Wall: 9605.81, 0.00394646/step, 0.121682 hours remaining, 114.812500 MB of memory in use. ENERGY: 2389000 617.1759 1878.3077 1972.9964 107.9152 3.3150 -1114.3859 0.0000 0.0000 2810.2969 6275.6211 310.4051 3465.3242 6312.5558 303.8934 PRESSURE: 2389200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2389200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2389200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2389200 0 0 0 0 0 0 0 0 0 TIMING: 2389200 CPU: 9606.6, 0.00395247/step Wall: 9606.6, 0.00395247/step, 0.121648 hours remaining, 114.812500 MB of memory in use. ENERGY: 2389200 654.1514 1880.2643 1976.4639 111.0304 1.4866 -1090.1198 0.0000 0.0000 2716.8835 6250.1603 300.0874 3533.2768 6283.3463 302.9576 PRESSURE: 2389400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2389400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2389400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2389400 0 0 0 0 0 0 0 0 0 TIMING: 2389400 CPU: 9607.39, 0.00395308/step Wall: 9607.39, 0.00395308/step, 0.121447 hours remaining, 114.812500 MB of memory in use. ENERGY: 2389400 664.7685 1872.4725 1987.6614 123.4780 1.4798 -1048.7270 0.0000 0.0000 2649.7343 6250.8676 292.6705 3601.1332 6282.6969 301.3988 PRESSURE: 2389600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2389600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2389600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2389600 0 0 0 0 0 0 0 0 0 TIMING: 2389600 CPU: 9608.18, 0.00395333/step Wall: 9608.18, 0.00395333/step, 0.121235 hours remaining, 114.812500 MB of memory in use. ENERGY: 2389600 643.4174 1875.9198 1952.8067 101.0649 2.6125 -1038.1110 0.0000 0.0000 2717.5353 6255.2455 300.1593 3537.7102 6288.0517 301.7198 PRESSURE: 2389800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2389800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2389800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2389800 0 0 0 0 0 0 0 0 0 TIMING: 2389800 CPU: 9608.97, 0.00395257/step Wall: 9608.97, 0.00395257/step, 0.120992 hours remaining, 114.812500 MB of memory in use. ENERGY: 2389800 677.8392 1863.6392 1923.8014 114.6792 1.9779 -1082.1028 0.0000 0.0000 2734.3338 6234.1680 302.0148 3499.8342 6268.2060 301.3996 PRESSURE: 2390000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2390000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2390000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2390000 0 0 0 0 0 0 0 0 0 TIMING: 2390000 CPU: 9609.76, 0.0039483/step Wall: 9609.76, 0.0039483/step, 0.120643 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2390000 629.8409 1899.5739 1942.0703 115.2018 2.5524 -1072.3081 0.0000 0.0000 2749.1562 6266.0875 303.6520 3516.9313 6304.2773 300.4304 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2390000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2390000 WRITING COORDINATES TO RESTART FILE AT STEP 2390000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2390000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2390200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2390200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2390200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2390200 0 0 0 0 0 0 0 0 0 TIMING: 2390200 CPU: 9610.63, 0.00435241/step Wall: 9610.63, 0.00435241/step, 0.132749 hours remaining, 114.812500 MB of memory in use. ENERGY: 2390200 672.5982 1878.9923 1941.3952 97.9263 2.0941 -1101.7555 0.0000 0.0000 2732.5094 6223.7600 301.8133 3491.2505 6258.8513 301.6115 PRESSURE: 2390400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2390400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2390400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2390400 0 0 0 0 0 0 0 0 0 TIMING: 2390400 CPU: 9611.42, 0.00395662/step Wall: 9611.42, 0.00395662/step, 0.120457 hours remaining, 114.812500 MB of memory in use. ENERGY: 2390400 689.5812 1892.7791 1957.7140 118.4848 3.7207 -1056.2223 0.0000 0.0000 2673.1896 6279.2471 295.2612 3606.0575 6308.8726 299.4998 PRESSURE: 2390600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2390600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2390600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2390600 0 0 0 0 0 0 0 0 0 TIMING: 2390600 CPU: 9612.21, 0.00395687/step Wall: 9612.21, 0.00395687/step, 0.120245 hours remaining, 114.812500 MB of memory in use. ENERGY: 2390600 648.2588 1855.8301 1960.0580 118.8460 4.1878 -1053.4547 0.0000 0.0000 2687.3037 6221.0298 296.8202 3533.7261 6252.6108 300.6654 PRESSURE: 2390800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2390800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2390800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2390800 0 0 0 0 0 0 0 0 0 TIMING: 2390800 CPU: 9613.01, 0.00395545/step Wall: 9613.01, 0.00395545/step, 0.119982 hours remaining, 114.812500 MB of memory in use. ENERGY: 2390800 646.7151 1850.5539 2010.3751 100.9135 2.2446 -1093.9246 0.0000 0.0000 2673.4689 6190.3465 295.2921 3516.8775 6223.7356 297.4377 PRESSURE: 2391000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2391000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2391000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2391000 0 0 0 0 0 0 0 0 0 TIMING: 2391000 CPU: 9613.8, 0.00394936/step Wall: 9613.8, 0.00394936/step, 0.119578 hours remaining, 114.812500 MB of memory in use. ENERGY: 2391000 663.5344 1850.6993 1972.4203 103.7704 2.0230 -1067.9929 0.0000 0.0000 2666.9040 6191.3586 294.5670 3524.4546 6223.0481 297.5171 PRESSURE: 2391200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2391200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2391200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2391200 0 0 0 0 0 0 0 0 0 TIMING: 2391200 CPU: 9614.59, 0.00395558/step Wall: 9614.59, 0.00395558/step, 0.119546 hours remaining, 114.812500 MB of memory in use. ENERGY: 2391200 646.0858 1860.6405 1963.6716 106.6575 3.1821 -1090.6253 0.0000 0.0000 2696.7298 6186.3420 297.8613 3489.6122 6217.3463 297.4529 PRESSURE: 2391400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2391400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2391400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2391400 0 0 0 0 0 0 0 0 0 TIMING: 2391400 CPU: 9615.38, 0.00395653/step Wall: 9615.38, 0.00395653/step, 0.119355 hours remaining, 114.812500 MB of memory in use. ENERGY: 2391400 676.8682 1866.6097 1960.8019 106.2510 2.9331 -1074.5016 0.0000 0.0000 2667.6933 6206.6555 294.6542 3538.9622 6238.1112 298.2350 PRESSURE: 2391600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2391600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2391600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2391600 0 0 0 0 0 0 0 0 0 TIMING: 2391600 CPU: 9616.17, 0.00395643/step Wall: 9616.17, 0.00395643/step, 0.119132 hours remaining, 114.812500 MB of memory in use. ENERGY: 2391600 603.4636 1846.0910 1940.5017 107.4393 2.1417 -1043.3559 0.0000 0.0000 2774.9361 6231.2177 306.4994 3456.2815 6264.6028 299.8247 PRESSURE: 2391800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2391800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2391800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2391800 0 0 0 0 0 0 0 0 0 TIMING: 2391800 CPU: 9616.96, 0.00395635/step Wall: 9616.96, 0.00395635/step, 0.11891 hours remaining, 114.812500 MB of memory in use. ENERGY: 2391800 639.8615 1772.6736 1956.0684 106.4683 1.3909 -1061.7218 0.0000 0.0000 2773.6032 6188.3441 306.3522 3414.7410 6225.5548 299.7769 PRESSURE: 2392000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2392000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2392000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2392000 0 0 0 0 0 0 0 0 0 TIMING: 2392000 CPU: 9617.75, 0.00395054/step Wall: 9617.75, 0.00395054/step, 0.118516 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2392000 663.8443 1874.8553 1959.2746 119.0583 1.2411 -1077.5629 0.0000 0.0000 2690.8952 6231.6058 297.2169 3540.7106 6262.2467 299.3716 PRESSURE: 2392200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2392200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2392200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2392200 0 0 0 0 0 0 0 0 0 TIMING: 2392200 CPU: 9618.54, 0.00395415/step Wall: 9618.54, 0.00395415/step, 0.118405 hours remaining, 114.812500 MB of memory in use. ENERGY: 2392200 632.4437 1857.2921 1929.7663 103.8660 0.9350 -1065.5050 0.0000 0.0000 2684.8769 6143.6749 296.5521 3458.7981 6177.7460 297.8845 LDB: ============= START OF LOAD BALANCING ============== 9621.5 LDB: ============== END OF LOAD BALANCING =============== 9621.5 LDB: =============== DONE WITH MIGRATION ================ 9621.5 LDB: ============= START OF LOAD BALANCING ============== 9621.9 LDB: ============== END OF LOAD BALANCING =============== 9621.9 LDB: =============== DONE WITH MIGRATION ================ 9621.9 PRESSURE: 2392400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2392400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2392400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2392400 0 0 0 0 0 0 0 0 0 TIMING: 2392400 CPU: 9619.34, 0.00397579/step Wall: 9619.34, 0.0039758/step, 0.118832 hours remaining, 114.812500 MB of memory in use. ENERGY: 2392400 644.3955 1826.5317 1934.2114 99.2197 2.4479 -1020.3073 0.0000 0.0000 2650.1862 6136.6850 292.7204 3486.4988 6169.0591 295.3012 PRESSURE: 2392600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2392600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2392600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2392600 0 0 0 0 0 0 0 0 0 TIMING: 2392600 CPU: 9620.13, 0.00395581/step Wall: 9620.13, 0.00395581/step, 0.118015 hours remaining, 114.812500 MB of memory in use. ENERGY: 2392600 663.3734 1851.7639 1960.5372 108.7239 1.0441 -1065.3987 0.0000 0.0000 2692.0087 6212.0525 297.3399 3520.0438 6244.4550 297.4273 PRESSURE: 2392800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2392800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2392800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2392800 0 0 0 0 0 0 0 0 0 TIMING: 2392800 CPU: 9620.92, 0.00395388/step Wall: 9620.92, 0.00395388/step, 0.117738 hours remaining, 114.812500 MB of memory in use. ENERGY: 2392800 705.6244 1826.5410 1931.7153 105.2957 2.0903 -1075.2617 0.0000 0.0000 2712.4070 6208.4121 299.5929 3496.0051 6240.2917 299.6928 PRESSURE: 2393000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2393000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2393000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2393000 0 0 0 0 0 0 0 0 0 TIMING: 2393000 CPU: 9621.71, 0.00395073/step Wall: 9621.71, 0.00395073/step, 0.117424 hours remaining, 114.812500 MB of memory in use. ENERGY: 2393000 659.8607 1894.1825 1937.2486 106.5659 2.1581 -1073.8544 0.0000 0.0000 2720.9732 6247.1346 300.5391 3526.1614 6280.6416 300.1308 PRESSURE: 2393200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2393200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2393200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2393200 0 0 0 0 0 0 0 0 0 TIMING: 2393200 CPU: 9622.5, 0.0039555/step Wall: 9622.5, 0.0039555/step, 0.117347 hours remaining, 114.812500 MB of memory in use. ENERGY: 2393200 659.0235 1864.5857 1945.1730 91.4445 1.5563 -1051.9315 0.0000 0.0000 2737.7917 6247.6433 302.3967 3509.8516 6282.3481 300.2394 PRESSURE: 2393400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2393400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2393400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2393400 0 0 0 0 0 0 0 0 0 TIMING: 2393400 CPU: 9623.29, 0.00395745/step Wall: 9623.29, 0.00395745/step, 0.117184 hours remaining, 114.812500 MB of memory in use. ENERGY: 2393400 667.2588 1930.4079 1927.8671 105.0426 2.2818 -1080.3882 0.0000 0.0000 2643.6809 6196.1509 292.0019 3552.4700 6229.1965 298.0064 PRESSURE: 2393600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2393600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2393600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2393600 0 0 0 0 0 0 0 0 0 TIMING: 2393600 CPU: 9624.08, 0.00395749/step Wall: 9624.08, 0.00395749/step, 0.116966 hours remaining, 114.812500 MB of memory in use. ENERGY: 2393600 650.9048 1848.0735 1933.6451 109.5740 1.9802 -1060.7331 0.0000 0.0000 2710.2710 6193.7155 299.3570 3483.4445 6225.1221 296.6075 PRESSURE: 2393800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2393800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2393800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2393800 0 0 0 0 0 0 0 0 0 TIMING: 2393800 CPU: 9624.87, 0.00394886/step Wall: 9624.87, 0.00394886/step, 0.116491 hours remaining, 114.812500 MB of memory in use. ENERGY: 2393800 637.5579 1885.8979 1946.5492 108.1175 2.1658 -1068.0584 0.0000 0.0000 2693.4217 6205.6516 297.4959 3512.2300 6239.4432 299.2075 PRESSURE: 2394000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2394000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2394000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2394000 0 0 0 0 0 0 0 0 0 TIMING: 2394000 CPU: 9625.66, 0.00395643/step Wall: 9625.66, 0.00395643/step, 0.116495 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2394000 676.0394 1865.5030 1964.3342 102.0492 2.0241 -1083.7686 0.0000 0.0000 2708.4924 6234.6739 299.1605 3526.1815 6268.3732 299.8438 PRESSURE: 2394200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2394200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2394200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2394200 0 0 0 0 0 0 0 0 0 TIMING: 2394200 CPU: 9626.45, 0.00395571/step Wall: 9626.45, 0.00395571/step, 0.116254 hours remaining, 114.812500 MB of memory in use. ENERGY: 2394200 675.2219 1872.3661 1947.6958 108.0666 1.5207 -1093.0071 0.0000 0.0000 2735.1449 6247.0089 302.1044 3511.8641 6278.0822 300.5034 PRESSURE: 2394400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2394400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2394400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2394400 0 0 0 0 0 0 0 0 0 TIMING: 2394400 CPU: 9627.25, 0.00395553/step Wall: 9627.25, 0.00395553/step, 0.116029 hours remaining, 114.812500 MB of memory in use. ENERGY: 2394400 673.7544 1853.5088 1967.6462 109.6607 0.9971 -1090.0667 0.0000 0.0000 2765.2971 6280.7975 305.4348 3515.5004 6314.7485 302.3194 PRESSURE: 2394600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2394600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2394600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2394600 0 0 0 0 0 0 0 0 0 TIMING: 2394600 CPU: 9628.04, 0.00395477/step Wall: 9628.04, 0.00395477/step, 0.115787 hours remaining, 114.812500 MB of memory in use. ENERGY: 2394600 659.2247 1845.1877 1945.2450 118.8384 2.2155 -1037.0775 0.0000 0.0000 2742.7605 6276.3945 302.9455 3533.6340 6311.1473 303.3708 PRESSURE: 2394800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2394800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2394800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2394800 0 0 0 0 0 0 0 0 0 TIMING: 2394800 CPU: 9628.83, 0.0039481/step Wall: 9628.83, 0.0039481/step, 0.115372 hours remaining, 114.812500 MB of memory in use. ENERGY: 2394800 646.4450 1892.5727 1969.2220 117.7690 1.8555 -1086.9133 0.0000 0.0000 2724.3688 6265.3197 300.9141 3540.9509 6296.6217 300.9378 PRESSURE: 2395000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2395000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2395000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2395000 0 0 0 0 0 0 0 0 0 TIMING: 2395000 CPU: 9629.62, 0.00395465/step Wall: 9629.62, 0.00395465/step, 0.115344 hours remaining, 114.812500 MB of memory in use. ENERGY: 2395000 662.5818 1826.8562 1998.4739 125.3378 1.0957 -1092.8956 0.0000 0.0000 2764.4133 6285.8631 305.3372 3521.4498 6323.2689 300.7240 PRESSURE: 2395200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2395200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2395200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2395200 0 0 0 0 0 0 0 0 0 TIMING: 2395200 CPU: 9630.41, 0.00395528/step Wall: 9630.41, 0.00395528/step, 0.115143 hours remaining, 114.812500 MB of memory in use. ENERGY: 2395200 661.6130 1866.3596 1948.5090 97.7929 0.4880 -1047.3874 0.0000 0.0000 2760.9298 6288.3047 304.9524 3527.3750 6320.3521 303.4140 PRESSURE: 2395400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2395400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2395400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2395400 0 0 0 0 0 0 0 0 0 TIMING: 2395400 CPU: 9631.2, 0.00395696/step Wall: 9631.2, 0.00395696/step, 0.114972 hours remaining, 114.812500 MB of memory in use. ENERGY: 2395400 701.7666 1829.6933 1973.7155 117.6054 2.4550 -1075.4131 0.0000 0.0000 2743.7392 6293.5620 303.0536 3549.8228 6327.2451 303.5413 PRESSURE: 2395600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2395600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2395600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2395600 0 0 0 0 0 0 0 0 0 TIMING: 2395600 CPU: 9631.99, 0.0039562/step Wall: 9631.99, 0.0039562/step, 0.11473 hours remaining, 114.812500 MB of memory in use. ENERGY: 2395600 655.1191 1889.1231 1954.3767 111.9725 1.2619 -1067.4914 0.0000 0.0000 2726.3082 6270.6700 301.1283 3544.3618 6304.2881 303.1236 PRESSURE: 2395800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2395800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2395800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2395800 0 0 0 0 0 0 0 0 0 TIMING: 2395800 CPU: 9632.78, 0.00395172/step Wall: 9632.78, 0.00395172/step, 0.11438 hours remaining, 114.812500 MB of memory in use. ENERGY: 2395800 656.0065 1888.7555 1954.8790 108.4374 2.8094 -1039.0406 0.0000 0.0000 2705.5269 6277.3741 298.8330 3571.8471 6311.4981 301.2074 PRESSURE: 2396000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2396000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2396000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2396000 0 0 0 0 0 0 0 0 0 TIMING: 2396000 CPU: 9633.57, 0.00395877/step Wall: 9633.57, 0.00395877/step, 0.114364 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2396000 681.1975 1877.0510 1968.9607 94.5701 1.7117 -1064.0833 0.0000 0.0000 2736.2700 6295.6777 302.2286 3559.4078 6327.3172 302.6622 PRESSURE: 2396200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2396200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2396200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2396200 0 0 0 0 0 0 0 0 0 TIMING: 2396200 CPU: 9634.36, 0.00395614/step Wall: 9634.36, 0.00395614/step, 0.114069 hours remaining, 114.812500 MB of memory in use. ENERGY: 2396200 673.1725 1854.8318 1973.9974 113.0906 2.4661 -1082.5086 0.0000 0.0000 2709.5865 6244.6362 299.2814 3535.0497 6276.6709 304.2937 LDB: ============= START OF LOAD BALANCING ============== 9637.32 LDB: ============== END OF LOAD BALANCING =============== 9637.32 LDB: =============== DONE WITH MIGRATION ================ 9637.32 LDB: ============= START OF LOAD BALANCING ============== 9637.72 LDB: ============== END OF LOAD BALANCING =============== 9637.72 LDB: =============== DONE WITH MIGRATION ================ 9637.72 PRESSURE: 2396400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2396400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2396400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2396400 0 0 0 0 0 0 0 0 0 TIMING: 2396400 CPU: 9635.16, 0.00395998/step Wall: 9635.16, 0.00395998/step, 0.11396 hours remaining, 114.812500 MB of memory in use. ENERGY: 2396400 643.5243 1894.9148 1938.4882 100.9310 2.0146 -1054.4240 0.0000 0.0000 2680.6670 6206.1158 296.0871 3525.4488 6237.4839 299.6048 PRESSURE: 2396600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2396600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2396600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2396600 0 0 0 0 0 0 0 0 0 TIMING: 2396600 CPU: 9635.95, 0.00395532/step Wall: 9635.95, 0.00395532/step, 0.113605 hours remaining, 114.812500 MB of memory in use. ENERGY: 2396600 633.2575 1837.9151 1926.4848 99.6899 2.6703 -1048.3910 0.0000 0.0000 2747.6520 6199.2786 303.4858 3451.6266 6234.7255 298.2181 PRESSURE: 2396800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2396800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2396800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2396800 0 0 0 0 0 0 0 0 0 TIMING: 2396800 CPU: 9636.74, 0.00394867/step Wall: 9636.74, 0.00394867/step, 0.113195 hours remaining, 114.812500 MB of memory in use. ENERGY: 2396800 643.0484 1879.3891 1943.0416 103.1440 1.7094 -1055.2356 0.0000 0.0000 2732.4230 6247.5200 301.8037 3515.0969 6278.3392 299.5043 PRESSURE: 2397000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2397000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2397000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2397000 0 0 0 0 0 0 0 0 0 TIMING: 2397000 CPU: 9637.53, 0.00395671/step Wall: 9637.53, 0.00395671/step, 0.113206 hours remaining, 114.812500 MB of memory in use. ENERGY: 2397000 636.5315 1919.7426 1962.9721 111.0356 2.0441 -1101.8506 0.0000 0.0000 2713.6752 6244.1504 299.7330 3530.4753 6276.7931 303.2938 PRESSURE: 2397200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2397200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2397200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2397200 0 0 0 0 0 0 0 0 0 TIMING: 2397200 CPU: 9638.32, 0.00395657/step Wall: 9638.32, 0.00395657/step, 0.112982 hours remaining, 114.812500 MB of memory in use. ENERGY: 2397200 646.6980 1871.6071 1936.6020 111.3135 1.8346 -1052.5602 0.0000 0.0000 2708.6994 6224.1943 299.1834 3515.4950 6257.8239 301.2666 PRESSURE: 2397400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2397400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2397400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2397400 0 0 0 0 0 0 0 0 0 TIMING: 2397400 CPU: 9639.11, 0.00395835/step Wall: 9639.11, 0.00395835/step, 0.112813 hours remaining, 114.812500 MB of memory in use. ENERGY: 2397400 646.4414 1827.6287 1954.7893 105.3959 2.8469 -1062.1571 0.0000 0.0000 2706.7952 6181.7402 298.9731 3474.9450 6213.3194 300.1517 PRESSURE: 2397600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2397600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2397600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2397600 0 0 0 0 0 0 0 0 0 TIMING: 2397600 CPU: 9639.9, 0.0039502/step Wall: 9639.9, 0.0039502/step, 0.112361 hours remaining, 114.812500 MB of memory in use. ENERGY: 2397600 645.1507 1869.8278 1973.1491 102.0668 2.3063 -1056.1956 0.0000 0.0000 2679.2020 6215.5071 295.9253 3536.3051 6245.7632 299.1234 PRESSURE: 2397800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2397800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2397800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2397800 0 0 0 0 0 0 0 0 0 TIMING: 2397800 CPU: 9640.69, 0.00395615/step Wall: 9640.69, 0.00395615/step, 0.112311 hours remaining, 114.812500 MB of memory in use. ENERGY: 2397800 644.8596 1868.4398 1951.7303 105.9126 2.4241 -1086.9677 0.0000 0.0000 2708.8438 6195.2426 299.1993 3486.3988 6226.9031 299.2092 PRESSURE: 2398000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2398000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2398000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2398000 0 0 0 0 0 0 0 0 0 TIMING: 2398000 CPU: 9641.48, 0.00395717/step Wall: 9641.48, 0.00395717/step, 0.11212 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2398000 619.8334 1865.0092 1929.3550 108.2075 3.0762 -1066.2248 0.0000 0.0000 2737.0703 6196.3269 302.3170 3459.2566 6231.9379 299.3360 PRESSURE: 2398200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2398200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2398200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2398200 0 0 0 0 0 0 0 0 0 TIMING: 2398200 CPU: 9642.28, 0.00395616/step Wall: 9642.28, 0.00395616/step, 0.111871 hours remaining, 114.812500 MB of memory in use. ENERGY: 2398200 662.9662 1819.1360 1920.0645 98.3658 2.7457 -1053.1205 0.0000 0.0000 2800.3059 6250.4636 309.3016 3450.1577 6286.1005 300.3657 PRESSURE: 2398400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2398400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2398400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2398400 0 0 0 0 0 0 0 0 0 TIMING: 2398400 CPU: 9643.07, 0.00395918/step Wall: 9643.07, 0.00395918/step, 0.111737 hours remaining, 114.812500 MB of memory in use. ENERGY: 2398400 640.4774 1887.1559 1950.1410 105.0735 3.5447 -1095.5778 0.0000 0.0000 2782.7924 6273.6071 307.3672 3490.8147 6308.6316 303.0308 PRESSURE: 2398600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2398600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2398600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2398600 0 0 0 0 0 0 0 0 0 TIMING: 2398600 CPU: 9643.86, 0.00395317/step Wall: 9643.86, 0.00395317/step, 0.111348 hours remaining, 114.812500 MB of memory in use. ENERGY: 2398600 637.4957 1882.5946 1969.8195 96.5418 2.1879 -1055.0972 0.0000 0.0000 2742.8057 6276.3479 302.9505 3533.5422 6307.4397 303.2511 PRESSURE: 2398800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2398800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2398800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2398800 0 0 0 0 0 0 0 0 0 TIMING: 2398800 CPU: 9644.65, 0.00395793/step Wall: 9644.65, 0.00395792/step, 0.111262 hours remaining, 114.812500 MB of memory in use. ENERGY: 2398800 639.3818 1888.1923 1955.4252 115.3344 2.9733 -1069.2454 0.0000 0.0000 2726.8157 6258.8774 301.1844 3532.0616 6292.7301 303.2832 PRESSURE: 2399000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2399000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2399000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2399000 0 0 0 0 0 0 0 0 0 TIMING: 2399000 CPU: 9645.44, 0.00395787/step Wall: 9645.44, 0.00395787/step, 0.11104 hours remaining, 114.812500 MB of memory in use. ENERGY: 2399000 672.1573 1812.6367 1981.7776 103.0197 3.5578 -1063.4342 0.0000 0.0000 2718.2988 6228.0136 300.2437 3509.7148 6258.5958 302.0171 PRESSURE: 2399200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2399200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2399200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2399200 0 0 0 0 0 0 0 0 0 TIMING: 2399200 CPU: 9646.23, 0.00395869/step Wall: 9646.23, 0.00395869/step, 0.110843 hours remaining, 114.812500 MB of memory in use. ENERGY: 2399200 645.7729 1916.1268 1974.9437 98.3486 2.3970 -1107.4392 0.0000 0.0000 2673.7999 6203.9496 295.3286 3530.1497 6237.1547 299.7879 PRESSURE: 2399400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2399400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2399400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2399400 0 0 0 0 0 0 0 0 0 TIMING: 2399400 CPU: 9647.03, 0.00396417/step Wall: 9647.03, 0.00396417/step, 0.110777 hours remaining, 114.812500 MB of memory in use. ENERGY: 2399400 661.3697 1881.1198 1946.0739 95.8097 3.3757 -1067.6512 0.0000 0.0000 2723.5129 6243.6105 300.8196 3520.0976 6274.5653 300.7769 PRESSURE: 2399600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2399600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2399600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2399600 0 0 0 0 0 0 0 0 0 TIMING: 2399600 CPU: 9647.82, 0.00395542/step Wall: 9647.82, 0.00395542/step, 0.110312 hours remaining, 114.812500 MB of memory in use. ENERGY: 2399600 623.8907 1891.0183 1954.1053 116.2167 1.9613 -1057.1792 0.0000 0.0000 2780.3506 6310.3636 307.0975 3530.0130 6343.0810 304.9304 PRESSURE: 2399800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2399800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2399800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2399800 0 0 0 0 0 0 0 0 0 TIMING: 2399800 CPU: 9648.61, 0.00395723/step Wall: 9648.61, 0.00395723/step, 0.110143 hours remaining, 114.812500 MB of memory in use. ENERGY: 2399800 664.0698 1887.6814 1948.3666 106.8874 3.5508 -1061.4664 0.0000 0.0000 2748.9544 6298.0441 303.6297 3549.0897 6332.9107 304.2704 PRESSURE: 2400000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2400000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2400000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2400000 0 0 0 0 0 0 0 0 0 TIMING: 2400000 CPU: 9649.4, 0.00395698/step Wall: 9649.4, 0.00395698/step, 0.109916 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2400000 678.9850 1883.9385 1965.7884 112.6975 2.3512 -1056.1969 0.0000 0.0000 2686.9955 6274.5591 296.7861 3587.5636 6307.6213 303.8906 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2400200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2400200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2400200 0 0 0 0 0 0 0 0 0 TIMING: 2400200 CPU: 9652.22, 0.0141164/step Wall: 9652.22, 0.0141164/step, 0.391337 hours remaining, 114.812500 MB of memory in use. ENERGY: 2400200 633.0193 1881.8969 1977.5352 110.4460 2.6188 -1065.2265 0.0000 0.0000 2706.5855 6246.8751 298.9499 3540.2897 6280.0011 301.7799 LDB: ============= START OF LOAD BALANCING ============== 9655.18 LDB: ============== END OF LOAD BALANCING =============== 9655.18 LDB: =============== DONE WITH MIGRATION ================ 9655.18 LDB: ============= START OF LOAD BALANCING ============== 9655.58 LDB: ============== END OF LOAD BALANCING =============== 9655.58 LDB: =============== DONE WITH MIGRATION ================ 9655.58 PRESSURE: 2400400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2400400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2400400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2400400 0 0 0 0 0 0 0 0 0 TIMING: 2400400 CPU: 9653.01, 0.00396166/step Wall: 9653.01, 0.00396166/step, 0.109606 hours remaining, 114.812500 MB of memory in use. ENERGY: 2400400 676.3868 1906.7047 1971.6477 114.6485 3.0332 -1125.3542 0.0000 0.0000 2697.7129 6244.7797 297.9699 3547.0667 6277.5870 301.2315 PRESSURE: 2400600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2400600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2400600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2400600 0 0 0 0 0 0 0 0 0 TIMING: 2400600 CPU: 9653.81, 0.00395072/step Wall: 9653.81, 0.00395072/step, 0.109084 hours remaining, 114.812500 MB of memory in use. ENERGY: 2400600 661.8579 1870.9682 1932.7068 113.4110 0.7405 -1055.0489 0.0000 0.0000 2748.0905 6272.7260 303.5342 3524.6355 6308.1929 302.8126 PRESSURE: 2400800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2400800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2400800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2400800 0 0 0 0 0 0 0 0 0 TIMING: 2400800 CPU: 9654.6, 0.00395537/step Wall: 9654.6, 0.00395537/step, 0.108993 hours remaining, 114.812500 MB of memory in use. ENERGY: 2400800 663.9103 1860.0104 1976.6696 97.9973 2.2614 -1075.0141 0.0000 0.0000 2724.4562 6250.2912 300.9238 3525.8350 6283.0487 301.6128 PRESSURE: 2401000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2401000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2401000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2401000 0 0 0 0 0 0 0 0 0 TIMING: 2401000 CPU: 9655.39, 0.0039593/step Wall: 9655.39, 0.0039593/step, 0.108881 hours remaining, 114.812500 MB of memory in use. ENERGY: 2401000 678.7944 1879.6841 1941.7176 101.6871 3.9337 -1081.5816 0.0000 0.0000 2738.9328 6263.1682 302.5228 3524.2353 6297.6639 301.4113 PRESSURE: 2401200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2401200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2401200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2401200 0 0 0 0 0 0 0 0 0 TIMING: 2401200 CPU: 9656.18, 0.00395841/step Wall: 9656.18, 0.00395841/step, 0.108636 hours remaining, 114.812500 MB of memory in use. ENERGY: 2401200 675.7847 1835.9193 1906.5201 115.3824 1.9670 -1060.9291 0.0000 0.0000 2774.6689 6249.3133 306.4699 3474.6444 6283.9963 301.8170 PRESSURE: 2401400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2401400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2401400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2401400 0 0 0 0 0 0 0 0 0 TIMING: 2401400 CPU: 9656.97, 0.00395948/step Wall: 9656.97, 0.00395949/step, 0.108446 hours remaining, 114.812500 MB of memory in use. ENERGY: 2401400 667.6969 1852.0613 1954.2093 92.6035 0.9699 -1056.3104 0.0000 0.0000 2680.1556 6191.3861 296.0307 3511.2305 6226.5512 299.4350 PRESSURE: 2401600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2401600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2401600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2401600 0 0 0 0 0 0 0 0 0 TIMING: 2401600 CPU: 9657.76, 0.00395475/step Wall: 9657.76, 0.00395475/step, 0.108096 hours remaining, 114.812500 MB of memory in use. ENERGY: 2401600 679.0899 1871.0184 1937.5512 98.7195 0.4726 -1067.8167 0.0000 0.0000 2711.6209 6230.6558 299.5061 3519.0349 6264.9258 299.0650 PRESSURE: 2401800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2401800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2401800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2401800 0 0 0 0 0 0 0 0 0 TIMING: 2401800 CPU: 9658.55, 0.00395793/step Wall: 9658.55, 0.00395793/step, 0.107964 hours remaining, 114.812500 MB of memory in use. ENERGY: 2401800 641.5005 1866.0046 1924.5087 107.2849 0.9811 -1062.8805 0.0000 0.0000 2744.7255 6222.1248 303.1626 3477.3993 6256.1768 298.7807 PRESSURE: 2402000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2402000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2402000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2402000 0 0 0 0 0 0 0 0 0 TIMING: 2402000 CPU: 9659.35, 0.00397098/step Wall: 9659.35, 0.00397098/step, 0.108099 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2402000 674.1005 1820.4681 1933.2466 97.7994 2.4881 -1060.5792 0.0000 0.0000 2769.1977 6236.7211 305.8656 3467.5233 6270.6782 299.5781 PRESSURE: 2402200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2402200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2402200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2402200 0 0 0 0 0 0 0 0 0 TIMING: 2402200 CPU: 9660.14, 0.00395791/step Wall: 9660.14, 0.00395791/step, 0.107523 hours remaining, 114.812500 MB of memory in use. ENERGY: 2402200 685.6310 1846.2806 1946.7740 108.5136 2.5932 -1088.0059 0.0000 0.0000 2703.6002 6205.3866 298.6202 3501.7864 6241.0703 299.8199 PRESSURE: 2402400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2402400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2402400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2402400 0 0 0 0 0 0 0 0 0 TIMING: 2402400 CPU: 9660.93, 0.00395114/step Wall: 9660.93, 0.00395114/step, 0.10712 hours remaining, 114.812500 MB of memory in use. ENERGY: 2402400 654.8520 1858.8328 1927.1610 112.8786 3.0673 -1035.8670 0.0000 0.0000 2733.9188 6254.8435 301.9689 3520.9247 6287.4848 300.7486 PRESSURE: 2402600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2402600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2402600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2402600 0 0 0 0 0 0 0 0 0 TIMING: 2402600 CPU: 9661.72, 0.00395694/step Wall: 9661.72, 0.00395694/step, 0.107057 hours remaining, 114.812500 MB of memory in use. ENERGY: 2402600 670.9318 1846.1769 1959.5993 107.7760 1.7980 -1113.6863 0.0000 0.0000 2732.8268 6205.4226 301.8483 3472.5958 6240.1094 298.6143 PRESSURE: 2402800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2402800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2402800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2402800 0 0 0 0 0 0 0 0 0 TIMING: 2402800 CPU: 9662.51, 0.0039581/step Wall: 9662.51, 0.0039581/step, 0.106869 hours remaining, 114.812500 MB of memory in use. ENERGY: 2402800 658.0899 1882.2832 1930.9329 106.5189 3.8074 -1059.3615 0.0000 0.0000 2720.8020 6243.0730 300.5202 3522.2709 6275.9970 300.4065 PRESSURE: 2403000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2403000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2403000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2403000 0 0 0 0 0 0 0 0 0 TIMING: 2403000 CPU: 9663.3, 0.00395597/step Wall: 9663.3, 0.00395597/step, 0.106592 hours remaining, 114.812500 MB of memory in use. ENERGY: 2403000 658.7244 1864.4409 1958.4282 109.3387 2.7027 -1081.5417 0.0000 0.0000 2701.0449 6213.1380 298.3379 3512.0931 6245.1710 299.5337 PRESSURE: 2403200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2403200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2403200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2403200 0 0 0 0 0 0 0 0 0 TIMING: 2403200 CPU: 9664.1, 0.00395767/step Wall: 9664.1, 0.00395766/step, 0.106417 hours remaining, 114.812500 MB of memory in use. ENERGY: 2403200 640.1329 1851.1554 1951.8797 106.8640 2.9020 -1070.4541 0.0000 0.0000 2744.1743 6226.6542 303.1017 3482.4799 6261.4760 299.8633 PRESSURE: 2403400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2403400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2403400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2403400 0 0 0 0 0 0 0 0 0 TIMING: 2403400 CPU: 9664.89, 0.0039512/step Wall: 9664.89, 0.0039512/step, 0.106024 hours remaining, 114.812500 MB of memory in use. ENERGY: 2403400 673.2327 1874.7300 1942.4612 105.6698 2.6585 -1069.6524 0.0000 0.0000 2712.0904 6241.1903 299.5579 3529.0999 6272.1817 300.7068 PRESSURE: 2403600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2403600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2403600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2403600 0 0 0 0 0 0 0 0 0 TIMING: 2403600 CPU: 9665.68, 0.00395832/step Wall: 9665.68, 0.00395832/step, 0.105995 hours remaining, 114.812500 MB of memory in use. ENERGY: 2403600 664.8328 1821.0494 1941.2817 110.9679 2.3033 -1056.0282 0.0000 0.0000 2762.0261 6246.4332 305.0735 3484.4070 6282.8831 301.1382 PRESSURE: 2403800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2403800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2403800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2403800 0 0 0 0 0 0 0 0 0 TIMING: 2403800 CPU: 9666.47, 0.00395838/step Wall: 9666.47, 0.00395838/step, 0.105777 hours remaining, 114.812500 MB of memory in use. ENERGY: 2403800 666.7057 1865.0700 1984.9794 113.0093 2.1103 -1109.7428 0.0000 0.0000 2750.5306 6272.6625 303.8038 3522.1319 6306.8268 303.9191 PRESSURE: 2404000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2404000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2404000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2404000 0 0 0 0 0 0 0 0 0 TIMING: 2404000 CPU: 9667.26, 0.00395757/step Wall: 9667.26, 0.00395757/step, 0.105535 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2404000 664.0100 1854.0468 1960.9340 105.9952 2.6080 -1082.3757 0.0000 0.0000 2711.2209 6216.4391 299.4619 3505.2182 6247.2601 301.4095 PRESSURE: 2404200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2404200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2404200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2404200 0 0 0 0 0 0 0 0 0 TIMING: 2404200 CPU: 9668.05, 0.00395698/step Wall: 9668.05, 0.00395698/step, 0.1053 hours remaining, 114.812500 MB of memory in use. ENERGY: 2404200 660.1045 1804.4193 1974.5118 106.3792 3.9471 -1065.0427 0.0000 0.0000 2680.0828 6164.4020 296.0226 3484.3191 6196.5172 298.6063 LDB: ============= START OF LOAD BALANCING ============== 9671.01 LDB: ============== END OF LOAD BALANCING =============== 9671.01 LDB: =============== DONE WITH MIGRATION ================ 9671.01 LDB: ============= START OF LOAD BALANCING ============== 9671.41 LDB: ============== END OF LOAD BALANCING =============== 9671.41 LDB: =============== DONE WITH MIGRATION ================ 9671.41 PRESSURE: 2404400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2404400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2404400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2404400 0 0 0 0 0 0 0 0 0 TIMING: 2404400 CPU: 9668.84, 0.00395608/step Wall: 9668.84, 0.00395608/step, 0.105056 hours remaining, 114.812500 MB of memory in use. ENERGY: 2404400 668.8833 1865.4429 1963.3125 113.4210 2.5090 -1083.0084 0.0000 0.0000 2660.3448 6190.9052 293.8425 3530.5604 6222.6649 298.1342 PRESSURE: 2404600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2404600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2404600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2404600 0 0 0 0 0 0 0 0 0 TIMING: 2404600 CPU: 9669.64, 0.00395855/step Wall: 9669.64, 0.00395855/step, 0.104901 hours remaining, 114.812500 MB of memory in use. ENERGY: 2404600 628.2901 1862.2985 1975.6716 92.3837 1.3257 -1090.2313 0.0000 0.0000 2707.7512 6177.4894 299.0787 3469.7383 6212.7333 297.4913 PRESSURE: 2404800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2404800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2404800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2404800 0 0 0 0 0 0 0 0 0 TIMING: 2404800 CPU: 9670.43, 0.00395655/step Wall: 9670.43, 0.00395655/step, 0.104629 hours remaining, 114.812500 MB of memory in use. ENERGY: 2404800 673.1137 1814.1895 1980.9090 110.2476 0.6884 -1106.6991 0.0000 0.0000 2754.7762 6227.2253 304.2727 3472.4491 6261.2001 298.9295 PRESSURE: 2405000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2405000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2405000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2405000 0 0 0 0 0 0 0 0 0 TIMING: 2405000 CPU: 9671.22, 0.00396003/step Wall: 9671.22, 0.00396003/step, 0.104501 hours remaining, 114.812500 MB of memory in use. ENERGY: 2405000 672.1165 1848.2662 1949.1807 110.3166 2.1501 -1071.1742 0.0000 0.0000 2747.6285 6258.4843 303.4832 3510.8559 6295.2789 301.4001 PRESSURE: 2405200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2405200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2405200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2405200 0 0 0 0 0 0 0 0 0 TIMING: 2405200 CPU: 9672.01, 0.00395588/step Wall: 9672.01, 0.00395588/step, 0.104171 hours remaining, 114.812500 MB of memory in use. ENERGY: 2405200 650.2459 1839.0392 1918.1485 114.0630 1.7098 -1040.3464 0.0000 0.0000 2781.4610 6264.3210 307.2201 3482.8600 6300.7285 303.0749 PRESSURE: 2405400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2405400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2405400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2405400 0 0 0 0 0 0 0 0 0 TIMING: 2405400 CPU: 9672.8, 0.00395085/step Wall: 9672.8, 0.00395085/step, 0.10382 hours remaining, 114.812500 MB of memory in use. ENERGY: 2405400 636.0364 1866.6265 1953.5572 108.1301 1.6308 -1069.3040 0.0000 0.0000 2745.2498 6241.9267 303.2205 3496.6769 6276.4911 299.7528 PRESSURE: 2405600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2405600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2405600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2405600 0 0 0 0 0 0 0 0 0 TIMING: 2405600 CPU: 9673.59, 0.00395485/step Wall: 9673.59, 0.00395485/step, 0.103705 hours remaining, 114.812500 MB of memory in use. ENERGY: 2405600 675.6267 1863.7723 1951.0112 103.3202 1.7192 -1076.0561 0.0000 0.0000 2769.4397 6288.8332 305.8923 3519.3935 6323.8478 303.5048 PRESSURE: 2405800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2405800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2405800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2405800 0 0 0 0 0 0 0 0 0 TIMING: 2405800 CPU: 9674.38, 0.00395444/step Wall: 9674.38, 0.00395444/step, 0.103475 hours remaining, 114.812500 MB of memory in use. ENERGY: 2405800 668.0524 1862.6472 1948.3344 97.6524 1.9419 -1041.4292 0.0000 0.0000 2765.4258 6302.6249 305.4490 3537.1990 6337.5455 304.1330 PRESSURE: 2406000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2406000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2406000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2406000 0 0 0 0 0 0 0 0 0 TIMING: 2406000 CPU: 9675.17, 0.00395509/step Wall: 9675.17, 0.00395509/step, 0.103272 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2406000 645.6258 1867.9643 1983.3629 110.8677 2.4074 -1058.4429 0.0000 0.0000 2747.4320 6299.2173 303.4615 3551.7852 6332.5426 305.1591 PRESSURE: 2406200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2406200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2406200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2406200 0 0 0 0 0 0 0 0 0 TIMING: 2406200 CPU: 9675.96, 0.00395037/step Wall: 9675.96, 0.00395037/step, 0.102929 hours remaining, 114.812500 MB of memory in use. ENERGY: 2406200 669.5702 1910.8425 1935.4861 107.0510 2.6791 -1040.0556 0.0000 0.0000 2731.4459 6317.0193 301.6958 3585.5734 6348.6933 302.7921 PRESSURE: 2406400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2406400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2406400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2406400 0 0 0 0 0 0 0 0 0 TIMING: 2406400 CPU: 9676.75, 0.00395369/step Wall: 9676.75, 0.00395369/step, 0.102796 hours remaining, 114.812500 MB of memory in use. ENERGY: 2406400 681.7356 1913.5905 1992.1580 108.7975 1.0999 -1085.4700 0.0000 0.0000 2732.0725 6343.9840 301.7650 3611.9115 6377.0365 305.4133 PRESSURE: 2406600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2406600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2406600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2406600 0 0 0 0 0 0 0 0 0 TIMING: 2406600 CPU: 9677.54, 0.00395524/step Wall: 9677.54, 0.00395523/step, 0.102616 hours remaining, 114.812500 MB of memory in use. ENERGY: 2406600 657.4708 1846.7360 1949.1770 96.6342 0.8388 -1022.7929 0.0000 0.0000 2783.7914 6311.8552 307.4775 3528.0638 6345.9584 304.6345 PRESSURE: 2406800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2406800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2406800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2406800 0 0 0 0 0 0 0 0 0 TIMING: 2406800 CPU: 9678.34, 0.00395401/step Wall: 9678.34, 0.00395402/step, 0.102365 hours remaining, 114.812500 MB of memory in use. ENERGY: 2406800 670.3914 1931.9024 1946.6229 102.7504 0.7896 -1053.3184 0.0000 0.0000 2739.6090 6338.7472 302.5974 3599.1382 6369.8382 306.3892 PRESSURE: 2407000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2407000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2407000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2407000 0 0 0 0 0 0 0 0 0 TIMING: 2407000 CPU: 9679.13, 0.00395531/step Wall: 9679.13, 0.00395531/step, 0.102179 hours remaining, 114.812500 MB of memory in use. ENERGY: 2407000 691.8255 1890.6658 1942.5131 99.5008 1.7584 -1071.8114 0.0000 0.0000 2722.2193 6276.6713 300.6767 3554.4521 6307.9379 305.0058 PRESSURE: 2407200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2407200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2407200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2407200 0 0 0 0 0 0 0 0 0 TIMING: 2407200 CPU: 9679.92, 0.00395074/step Wall: 9679.92, 0.00395074/step, 0.101841 hours remaining, 114.812500 MB of memory in use. ENERGY: 2407200 671.7965 1887.0403 1920.2912 105.8726 0.0595 -1051.2749 0.0000 0.0000 2719.7930 6253.5782 300.4087 3533.7852 6287.3471 302.0315 PRESSURE: 2407400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2407400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2407400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2407400 0 0 0 0 0 0 0 0 0 TIMING: 2407400 CPU: 9680.71, 0.00395446/step Wall: 9680.71, 0.00395446/step, 0.101717 hours remaining, 114.812500 MB of memory in use. ENERGY: 2407400 640.2478 1884.2343 1952.4511 100.4380 -0.2738 -1030.8533 0.0000 0.0000 2685.6312 6231.8752 296.6354 3546.2441 6262.3310 300.5260 PRESSURE: 2407600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2407600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2407600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2407600 0 0 0 0 0 0 0 0 0 TIMING: 2407600 CPU: 9681.5, 0.00395403/step Wall: 9681.5, 0.00395403/step, 0.101487 hours remaining, 114.812500 MB of memory in use. ENERGY: 2407600 664.3969 1867.8697 1965.4899 114.0083 0.8327 -1013.9944 0.0000 0.0000 2648.7889 6247.3921 292.5661 3598.6032 6279.3157 300.2291 PRESSURE: 2407800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2407800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2407800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2407800 0 0 0 0 0 0 0 0 0 TIMING: 2407800 CPU: 9682.29, 0.0039528/step Wall: 9682.29, 0.00395279/step, 0.101235 hours remaining, 114.812500 MB of memory in use. ENERGY: 2407800 666.2533 1874.9738 1955.4587 105.0282 1.4792 -1063.6988 0.0000 0.0000 2709.6278 6249.1221 299.2859 3539.4943 6283.5799 300.4114 PRESSURE: 2408000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2408000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2408000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2408000 0 0 0 0 0 0 0 0 0 TIMING: 2408000 CPU: 9683.08, 0.00395342/step Wall: 9683.08, 0.00395342/step, 0.101032 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2408000 670.8629 1831.4172 1935.6223 116.6986 2.0062 -1080.1071 0.0000 0.0000 2754.1347 6230.6347 304.2018 3476.5000 6264.0620 301.5929 PRESSURE: 2408200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2408200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2408200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2408200 0 0 0 0 0 0 0 0 0 TIMING: 2408200 CPU: 9683.87, 0.00394768/step Wall: 9683.87, 0.00394768/step, 0.100666 hours remaining, 114.812500 MB of memory in use. ENERGY: 2408200 654.8439 1819.5003 1929.2052 102.7030 1.8286 -1065.1269 0.0000 0.0000 2765.0323 6207.9864 305.4055 3442.9541 6243.6600 298.2574 LDB: ============= START OF LOAD BALANCING ============== 9686.83 LDB: ============== END OF LOAD BALANCING =============== 9686.83 LDB: =============== DONE WITH MIGRATION ================ 9686.83 LDB: ============= START OF LOAD BALANCING ============== 9687.22 LDB: ============== END OF LOAD BALANCING =============== 9687.22 LDB: =============== DONE WITH MIGRATION ================ 9687.23 PRESSURE: 2408400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2408400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2408400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2408400 0 0 0 0 0 0 0 0 0 TIMING: 2408400 CPU: 9684.66, 0.003958/step Wall: 9684.66, 0.003958/step, 0.100709 hours remaining, 114.812500 MB of memory in use. ENERGY: 2408400 682.5772 1831.4384 1950.0255 102.4803 1.3376 -1045.7506 0.0000 0.0000 2680.2202 6202.3285 296.0378 3522.1083 6236.1997 299.4060 PRESSURE: 2408600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2408600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2408600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2408600 0 0 0 0 0 0 0 0 0 TIMING: 2408600 CPU: 9685.45, 0.00395303/step Wall: 9685.45, 0.00395303/step, 0.100363 hours remaining, 114.812500 MB of memory in use. ENERGY: 2408600 687.5043 1843.6621 1921.6606 100.7751 2.1704 -1070.7914 0.0000 0.0000 2649.2752 6134.2563 292.6198 3484.9811 6165.8508 297.2994 PRESSURE: 2408800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2408800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2408800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2408800 0 0 0 0 0 0 0 0 0 TIMING: 2408800 CPU: 9686.24, 0.00395379/step Wall: 9686.24, 0.00395379/step, 0.100163 hours remaining, 114.812500 MB of memory in use. ENERGY: 2408800 653.0576 1827.3728 1945.9194 106.4534 1.8767 -1086.6076 0.0000 0.0000 2702.0440 6150.1161 298.4483 3448.0722 6185.5602 295.3433 PRESSURE: 2409000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2409000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2409000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2409000 0 0 0 0 0 0 0 0 0 TIMING: 2409000 CPU: 9687.03, 0.00395186/step Wall: 9687.03, 0.00395186/step, 0.0998943 hours remaining, 114.812500 MB of memory in use. ENERGY: 2409000 659.1727 1835.1375 1941.9623 111.1612 2.1878 -1072.6792 0.0000 0.0000 2720.7349 6197.6772 300.5127 3476.9423 6231.3277 296.5653 PRESSURE: 2409200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2409200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2409200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2409200 0 0 0 0 0 0 0 0 0 TIMING: 2409200 CPU: 9687.82, 0.00394776/step Wall: 9687.82, 0.00394776/step, 0.0995713 hours remaining, 114.812500 MB of memory in use. ENERGY: 2409200 640.2297 1915.6448 1927.0141 115.4547 3.3125 -1086.6864 0.0000 0.0000 2691.9055 6206.8749 297.3285 3514.9693 6239.0562 299.1555 PRESSURE: 2409400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2409400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2409400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2409400 0 0 0 0 0 0 0 0 0 TIMING: 2409400 CPU: 9688.61, 0.00395147/step Wall: 9688.61, 0.00395147/step, 0.0994453 hours remaining, 114.812500 MB of memory in use. ENERGY: 2409400 664.1499 1863.6049 1943.7532 108.8948 2.7394 -1085.3156 0.0000 0.0000 2709.6126 6207.4392 299.2843 3497.8266 6235.2813 298.2029 PRESSURE: 2409600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2409600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2409600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2409600 0 0 0 0 0 0 0 0 0 TIMING: 2409600 CPU: 9689.4, 0.00395278/step Wall: 9689.4, 0.00395278/step, 0.0992587 hours remaining, 114.812500 MB of memory in use. ENERGY: 2409600 625.1476 1898.6647 1955.7995 112.2027 2.2042 -1075.4233 0.0000 0.0000 2728.2296 6246.8251 301.3406 3518.5955 6281.2802 300.7206 PRESSURE: 2409800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2409800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2409800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2409800 0 0 0 0 0 0 0 0 0 TIMING: 2409800 CPU: 9690.19, 0.00395092/step Wall: 9690.19, 0.00395092/step, 0.0989926 hours remaining, 114.812500 MB of memory in use. ENERGY: 2409800 643.4537 1926.8131 1951.5043 115.5732 2.5218 -1078.1048 0.0000 0.0000 2691.6082 6253.3694 297.2956 3561.7612 6285.2464 300.6096 PRESSURE: 2410000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2410000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2410000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2410000 0 0 0 0 0 0 0 0 0 TIMING: 2410000 CPU: 9690.98, 0.0039488/step Wall: 9690.98, 0.0039488/step, 0.09872 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2410000 652.1618 1850.6311 1962.6159 113.5821 1.7363 -1070.9061 0.0000 0.0000 2726.4884 6236.3096 301.1482 3509.8211 6271.8169 302.2129 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2410000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2410000 WRITING COORDINATES TO RESTART FILE AT STEP 2410000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2410000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2410200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2410200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2410200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2410200 0 0 0 0 0 0 0 0 0 TIMING: 2410200 CPU: 9691.82, 0.00417976/step Wall: 9691.82, 0.00417976/step, 0.104262 hours remaining, 114.812500 MB of memory in use. ENERGY: 2410200 673.8295 1944.0319 1920.5029 108.9942 1.8887 -1084.1420 0.0000 0.0000 2694.2039 6259.3091 297.5823 3565.1052 6293.3606 302.8781 PRESSURE: 2410400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2410400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2410400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2410400 0 0 0 0 0 0 0 0 0 TIMING: 2410400 CPU: 9692.61, 0.00395191/step Wall: 9692.61, 0.00395191/step, 0.0983587 hours remaining, 114.812500 MB of memory in use. ENERGY: 2410400 683.0835 1888.0041 1953.1461 100.6778 2.2397 -1093.9549 0.0000 0.0000 2731.9538 6265.1502 301.7519 3533.1964 6300.8146 302.9809 PRESSURE: 2410600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2410600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2410600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2410600 0 0 0 0 0 0 0 0 0 TIMING: 2410600 CPU: 9693.4, 0.00395388/step Wall: 9693.4, 0.00395388/step, 0.098188 hours remaining, 114.812500 MB of memory in use. ENERGY: 2410600 651.9271 1882.5522 1952.9290 108.0170 2.2082 -1048.8280 0.0000 0.0000 2721.9441 6270.7495 300.6463 3548.8055 6303.4712 302.3579 PRESSURE: 2410800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2410800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2410800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2410800 0 0 0 0 0 0 0 0 0 TIMING: 2410800 CPU: 9694.19, 0.00395175/step Wall: 9694.19, 0.00395176/step, 0.0979157 hours remaining, 114.812500 MB of memory in use. ENERGY: 2410800 660.4380 1925.2599 1965.7586 114.9438 2.2804 -1115.9889 0.0000 0.0000 2717.0820 6269.7737 300.1093 3552.6917 6302.1995 301.9484 PRESSURE: 2411000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2411000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2411000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2411000 0 0 0 0 0 0 0 0 0 TIMING: 2411000 CPU: 9694.98, 0.00394804/step Wall: 9694.98, 0.00394804/step, 0.0976044 hours remaining, 114.812500 MB of memory in use. ENERGY: 2411000 659.0211 1903.9899 1976.2683 112.1211 1.5669 -1104.5601 0.0000 0.0000 2738.5881 6286.9953 302.4847 3548.4072 6318.6759 302.7624 PRESSURE: 2411200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2411200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2411200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2411200 0 0 0 0 0 0 0 0 0 TIMING: 2411200 CPU: 9695.77, 0.00395285/step Wall: 9695.77, 0.00395285/step, 0.0975036 hours remaining, 114.812500 MB of memory in use. ENERGY: 2411200 699.0607 1866.9031 1951.0580 107.0825 2.6126 -1085.5320 0.0000 0.0000 2765.7656 6306.9505 305.4865 3541.1849 6341.7428 304.2846 PRESSURE: 2411400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2411400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2411400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2411400 0 0 0 0 0 0 0 0 0 TIMING: 2411400 CPU: 9696.56, 0.00395268/step Wall: 9696.56, 0.00395268/step, 0.09728 hours remaining, 114.812500 MB of memory in use. ENERGY: 2411400 651.7494 1898.1331 1976.2003 117.9316 2.4256 -1074.7085 0.0000 0.0000 2720.2482 6291.9797 300.4590 3571.7315 6323.4416 304.6235 PRESSURE: 2411600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2411600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2411600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2411600 0 0 0 0 0 0 0 0 0 TIMING: 2411600 CPU: 9697.35, 0.00395274/step Wall: 9697.35, 0.00395274/step, 0.0970616 hours remaining, 114.812500 MB of memory in use. ENERGY: 2411600 627.7906 1879.9321 1996.1801 107.7573 2.7142 -1078.7471 0.0000 0.0000 2738.2286 6273.8557 302.4450 3535.6271 6309.2821 303.6964 PRESSURE: 2411800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2411800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2411800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2411800 0 0 0 0 0 0 0 0 0 TIMING: 2411800 CPU: 9698.14, 0.00395728/step Wall: 9698.14, 0.00395728/step, 0.0969532 hours remaining, 114.812500 MB of memory in use. ENERGY: 2411800 631.8350 1913.3987 1929.4134 102.1242 2.4305 -1071.4481 0.0000 0.0000 2759.4864 6267.2400 304.7930 3507.7536 6304.2956 301.7747 PRESSURE: 2412000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2412000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2412000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2412000 0 0 0 0 0 0 0 0 0 TIMING: 2412000 CPU: 9698.93, 0.00394794/step Wall: 9698.93, 0.00394794/step, 0.0965052 hours remaining, 114.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2412000 650.7846 1896.0098 1949.6806 109.6646 2.8892 -1071.8545 0.0000 0.0000 2691.4029 6228.5771 297.2729 3537.1743 6262.3919 301.8926 PRESSURE: 2412200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2412200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2412200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2412200 0 0 0 0 0 0 0 0 0 TIMING: 2412200 CPU: 9699.72, 0.00395192/step Wall: 9699.72, 0.00395191/step, 0.0963828 hours remaining, 114.812500 MB of memory in use. ENERGY: 2412200 672.9443 1878.3595 1939.2531 111.9689 1.8930 -1042.1242 0.0000 0.0000 2704.4779 6266.7726 298.7171 3562.2947 6298.2222 301.8412 LDB: ============= START OF LOAD BALANCING ============== 9702.68 LDB: ============== END OF LOAD BALANCING =============== 9702.68 LDB: =============== DONE WITH MIGRATION ================ 9702.68 LDB: ============= START OF LOAD BALANCING ============== 9703.08 LDB: ============== END OF LOAD BALANCING =============== 9703.08 LDB: =============== DONE WITH MIGRATION ================ 9703.08 PRESSURE: 2412400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2412400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2412400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2412400 0 0 0 0 0 0 0 0 0 TIMING: 2412400 CPU: 9700.51, 0.00395877/step Wall: 9700.51, 0.00395878/step, 0.0963302 hours remaining, 114.812500 MB of memory in use. ENERGY: 2412400 674.9567 1854.4231 1931.1736 111.9645 4.3763 -1089.4189 0.0000 0.0000 2722.5820 6210.0572 300.7168 3487.4752 6242.8451 298.1928 PRESSURE: 2412600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2412600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2412600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2412600 0 0 0 0 0 0 0 0 0 TIMING: 2412600 CPU: 9701.31, 0.00395481/step Wall: 9701.31, 0.00395481/step, 0.096014 hours remaining, 114.812500 MB of memory in use. ENERGY: 2412600 665.6626 1892.9097 1882.9121 108.7387 2.9347 -1040.5855 0.0000 0.0000 2697.9654 6210.5377 297.9978 3512.5723 6242.3731 299.5899 PRESSURE: 2412800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2412800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2412800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2412800 0 0 0 0 0 0 0 0 0 TIMING: 2412800 CPU: 9702.1, 0.00395377/step Wall: 9702.1, 0.00395377/step, 0.0957691 hours remaining, 114.812500 MB of memory in use. ENERGY: 2412800 680.8473 1890.0001 1933.8393 100.2742 3.5767 -1061.3136 0.0000 0.0000 2717.3360 6264.5600 300.1373 3547.2239 6296.0929 300.5901 PRESSURE: 2413000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2413000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2413000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2413000 0 0 0 0 0 0 0 0 0 TIMING: 2413000 CPU: 9702.89, 0.00394722/step Wall: 9702.89, 0.00394722/step, 0.095391 hours remaining, 114.812500 MB of memory in use. ENERGY: 2413000 630.7451 1921.4113 1959.7879 112.7131 3.7569 -1067.2380 0.0000 0.0000 2682.8713 6244.0477 296.3306 3561.1765 6275.7034 300.6276 PRESSURE: 2413200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2413200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2413200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2413200 0 0 0 0 0 0 0 0 0 TIMING: 2413200 CPU: 9703.68, 0.00395516/step Wall: 9703.68, 0.00395516/step, 0.0953632 hours remaining, 114.816406 MB of memory in use. ENERGY: 2413200 660.8522 1886.4247 1959.3616 107.4252 2.6401 -1067.0567 0.0000 0.0000 2649.1707 6198.8179 292.6083 3549.6472 6229.2993 298.4082 PRESSURE: 2413400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2413400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2413400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2413400 0 0 0 0 0 0 0 0 0 TIMING: 2413400 CPU: 9704.47, 0.0039538/step Wall: 9704.47, 0.0039538/step, 0.0951109 hours remaining, 114.816406 MB of memory in use. ENERGY: 2413400 645.5751 1856.7472 1923.8437 116.1481 2.9394 -1067.4618 0.0000 0.0000 2697.4496 6175.2414 297.9408 3477.7918 6208.4259 298.5229 PRESSURE: 2413600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2413600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2413600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2413600 0 0 0 0 0 0 0 0 0 TIMING: 2413600 CPU: 9705.26, 0.00395368/step Wall: 9705.26, 0.00395368/step, 0.0948884 hours remaining, 114.816406 MB of memory in use. ENERGY: 2413600 650.3169 1846.0475 1961.9067 109.5525 2.3875 -1062.6426 0.0000 0.0000 2680.0443 6187.6129 296.0184 3507.5686 6219.6927 297.7201 PRESSURE: 2413800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2413800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2413800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2413800 0 0 0 0 0 0 0 0 0 TIMING: 2413800 CPU: 9706.05, 0.00394906/step Wall: 9706.05, 0.00394906/step, 0.0945581 hours remaining, 114.816406 MB of memory in use. ENERGY: 2413800 661.9942 1882.2159 1948.2418 100.9075 1.4092 -1042.6132 0.0000 0.0000 2703.5236 6255.6791 298.6117 3552.1555 6287.1167 299.1623 PRESSURE: 2414000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2414000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2414000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2414000 0 0 0 0 0 0 0 0 0 TIMING: 2414000 CPU: 9706.84, 0.00396652/step Wall: 9706.84, 0.00396652/step, 0.0947556 hours remaining, 114.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2414000 653.8111 1862.2381 1938.1919 111.7193 3.2510 -1035.2166 0.0000 0.0000 2768.2501 6302.2450 305.7609 3533.9949 6336.5659 301.1969 PRESSURE: 2414200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2414200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2414200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2414200 0 0 0 0 0 0 0 0 0 TIMING: 2414200 CPU: 9707.63, 0.00395661/step Wall: 9707.63, 0.00395661/step, 0.0942992 hours remaining, 114.816406 MB of memory in use. ENERGY: 2414200 658.5999 1882.5644 1939.6473 101.9865 2.5597 -1060.0293 0.0000 0.0000 2728.6153 6253.9438 301.3832 3525.3285 6284.7408 301.0081 PRESSURE: 2414400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2414400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2414400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2414400 0 0 0 0 0 0 0 0 0 TIMING: 2414400 CPU: 9708.42, 0.00395519/step Wall: 9708.42, 0.00395519/step, 0.0940457 hours remaining, 114.816406 MB of memory in use. ENERGY: 2414400 642.3450 1823.3409 1975.0858 105.2712 2.9458 -1025.6882 0.0000 0.0000 2744.2465 6267.5470 303.1097 3523.3006 6300.5872 301.5019 PRESSURE: 2414600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2414600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2414600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2414600 0 0 0 0 0 0 0 0 0 TIMING: 2414600 CPU: 9709.21, 0.00395157/step Wall: 9709.21, 0.00395157/step, 0.0937399 hours remaining, 114.816406 MB of memory in use. ENERGY: 2414600 673.6451 1892.6926 1941.0847 109.3113 1.2133 -1079.3572 0.0000 0.0000 2722.2931 6260.8828 300.6849 3538.5898 6293.9186 301.0701 PRESSURE: 2414800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2414800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2414800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2414800 0 0 0 0 0 0 0 0 0 TIMING: 2414800 CPU: 9710, 0.00394561/step Wall: 9710, 0.00394561/step, 0.0933795 hours remaining, 114.816406 MB of memory in use. ENERGY: 2414800 641.1397 1896.0069 1963.5772 117.1587 3.4581 -1095.7769 0.0000 0.0000 2748.4504 6274.0140 303.5740 3525.5636 6309.0478 302.1940 PRESSURE: 2415000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2415000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2415000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2415000 0 0 0 0 0 0 0 0 0 TIMING: 2415000 CPU: 9710.79, 0.00395151/step Wall: 9710.79, 0.0039515/step, 0.0932993 hours remaining, 114.816406 MB of memory in use. ENERGY: 2415000 647.7736 1867.2519 1945.6720 114.1985 2.6503 -1052.4630 0.0000 0.0000 2696.9253 6222.0086 297.8829 3525.0833 6254.3243 300.5052 PRESSURE: 2415200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2415200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2415200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2415200 0 0 0 0 0 0 0 0 0 TIMING: 2415200 CPU: 9711.58, 0.00395175/step Wall: 9711.58, 0.00395175/step, 0.0930855 hours remaining, 114.816406 MB of memory in use. ENERGY: 2415200 635.7927 1869.9724 1948.9978 103.4225 0.8663 -1040.3725 0.0000 0.0000 2681.3841 6200.0632 296.1663 3518.6791 6233.5850 298.2489 PRESSURE: 2415400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2415400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2415400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2415400 0 0 0 0 0 0 0 0 0 TIMING: 2415400 CPU: 9712.37, 0.00395096/step Wall: 9712.37, 0.00395096/step, 0.0928477 hours remaining, 114.816406 MB of memory in use. ENERGY: 2415400 654.3104 1856.5962 1946.0027 105.3601 1.6694 -1067.6985 0.0000 0.0000 2660.7085 6156.9488 293.8827 3496.2403 6189.1480 297.7222 PRESSURE: 2415600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2415600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2415600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2415600 0 0 0 0 0 0 0 0 0 TIMING: 2415600 CPU: 9713.16, 0.0039515/step Wall: 9713.16, 0.0039515/step, 0.0926407 hours remaining, 114.816406 MB of memory in use. ENERGY: 2415600 681.1563 1862.7190 1939.4924 113.5693 3.0792 -1085.2618 0.0000 0.0000 2689.0530 6203.8073 297.0134 3514.7544 6232.3367 297.9271 PRESSURE: 2415800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2415800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2415800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2415800 0 0 0 0 0 0 0 0 0 TIMING: 2415800 CPU: 9713.95, 0.0039469/step Wall: 9713.95, 0.0039469/step, 0.0923136 hours remaining, 114.816406 MB of memory in use. ENERGY: 2415800 647.9539 1856.1624 1927.7792 110.6070 3.6101 -1063.0574 0.0000 0.0000 2689.9504 6173.0057 297.1125 3483.0553 6208.3243 296.7993 PRESSURE: 2416000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2416000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2416000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2416000 0 0 0 0 0 0 0 0 0 TIMING: 2416000 CPU: 9714.74, 0.00395097/step Wall: 9714.74, 0.00395097/step, 0.0921894 hours remaining, 114.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2416000 679.2431 1753.3382 1927.1254 106.6974 1.9498 -1023.8813 0.0000 0.0000 2695.9632 6140.4358 297.7766 3444.4726 6173.8032 294.8450 PRESSURE: 2416200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2416200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2416200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2416200 0 0 0 0 0 0 0 0 0 TIMING: 2416200 CPU: 9715.53, 0.00395095/step Wall: 9715.53, 0.00395095/step, 0.0919694 hours remaining, 114.816406 MB of memory in use. ENERGY: 2416200 681.5987 1848.7476 1946.1447 109.3848 2.4898 -1080.2987 0.0000 0.0000 2607.7456 6115.8125 288.0328 3508.0669 6146.1465 294.8848 LDB: ============= START OF LOAD BALANCING ============== 9718.49 LDB: ============== END OF LOAD BALANCING =============== 9718.49 LDB: =============== DONE WITH MIGRATION ================ 9718.49 LDB: ============= START OF LOAD BALANCING ============== 9718.89 LDB: ============== END OF LOAD BALANCING =============== 9718.89 LDB: =============== DONE WITH MIGRATION ================ 9718.89 PRESSURE: 2416400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2416400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2416400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2416400 0 0 0 0 0 0 0 0 0 TIMING: 2416400 CPU: 9716.33, 0.00395646/step Wall: 9716.33, 0.00395646/step, 0.0918778 hours remaining, 114.816406 MB of memory in use. ENERGY: 2416400 628.1660 1767.3173 1931.3703 110.7033 2.2248 -1042.7395 0.0000 0.0000 2699.9933 6097.0354 298.2218 3397.0421 6130.9187 292.3387 PRESSURE: 2416600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2416600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2416600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2416600 0 0 0 0 0 0 0 0 0 TIMING: 2416600 CPU: 9717.12, 0.0039522/step Wall: 9717.12, 0.0039522/step, 0.0915592 hours remaining, 114.816406 MB of memory in use. ENERGY: 2416600 676.4018 1862.2270 1951.3584 102.9710 2.8451 -1088.7164 0.0000 0.0000 2615.8293 6122.9162 288.9256 3507.0869 6150.2721 291.6934 PRESSURE: 2416800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2416800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2416800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2416800 0 0 0 0 0 0 0 0 0 TIMING: 2416800 CPU: 9717.9, 0.00394487/step Wall: 9717.9, 0.00394487/step, 0.0911703 hours remaining, 114.816406 MB of memory in use. ENERGY: 2416800 627.7822 1893.0573 1948.8924 110.9991 3.5522 -1076.8337 0.0000 0.0000 2631.9654 6139.4150 290.7079 3507.4495 6168.7168 293.6763 PRESSURE: 2417000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2417000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2417000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2417000 0 0 0 0 0 0 0 0 0 TIMING: 2417000 CPU: 9718.7, 0.0039502/step Wall: 9718.7, 0.0039502/step, 0.0910739 hours remaining, 114.816406 MB of memory in use. ENERGY: 2417000 630.3463 1863.7801 1957.5924 104.6694 1.4242 -1078.9502 0.0000 0.0000 2697.4543 6176.3166 297.9413 3478.8623 6208.3918 296.2527 PRESSURE: 2417200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2417200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2417200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2417200 0 0 0 0 0 0 0 0 0 TIMING: 2417200 CPU: 9719.48, 0.00394923/step Wall: 9719.48, 0.00394922/step, 0.0908322 hours remaining, 114.816406 MB of memory in use. ENERGY: 2417200 667.6042 1831.7966 1934.8377 102.3076 3.0155 -1058.3173 0.0000 0.0000 2686.5520 6167.7963 296.7372 3481.2443 6198.3053 294.7091 PRESSURE: 2417400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2417400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2417400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2417400 0 0 0 0 0 0 0 0 0 TIMING: 2417400 CPU: 9720.27, 0.00394969/step Wall: 9720.27, 0.00394969/step, 0.0906235 hours remaining, 114.816406 MB of memory in use. ENERGY: 2417400 663.5377 1802.6136 1951.7453 100.6699 3.3882 -1047.7636 0.0000 0.0000 2676.3320 6150.5231 295.6083 3474.1911 6184.0437 294.9466 PRESSURE: 2417600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2417600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2417600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2417600 0 0 0 0 0 0 0 0 0 TIMING: 2417600 CPU: 9721.06, 0.00394583/step Wall: 9721.06, 0.00394583/step, 0.0903156 hours remaining, 114.816406 MB of memory in use. ENERGY: 2417600 688.5772 1810.3583 1943.2150 111.4917 1.5656 -1098.9633 0.0000 0.0000 2765.3225 6221.5670 305.4376 3456.2445 6253.8052 297.8360 PRESSURE: 2417800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2417800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2417800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2417800 0 0 0 0 0 0 0 0 0 TIMING: 2417800 CPU: 9721.85, 0.00394901/step Wall: 9721.85, 0.00394901/step, 0.090169 hours remaining, 114.816406 MB of memory in use. ENERGY: 2417800 658.5262 1845.0021 1977.3491 110.9034 2.2489 -1070.2265 0.0000 0.0000 2728.4500 6252.2532 301.3649 3523.8032 6285.3360 299.6838 PRESSURE: 2418000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2418000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2418000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2418000 0 0 0 0 0 0 0 0 0 TIMING: 2418000 CPU: 9722.64, 0.00394913/step Wall: 9722.64, 0.00394913/step, 0.0899524 hours remaining, 114.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2418000 696.9677 1844.4815 1983.6978 107.2055 3.1094 -1089.6021 0.0000 0.0000 2715.6007 6261.4605 299.9457 3545.8598 6296.6478 301.5021 PRESSURE: 2418200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2418200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2418200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2418200 0 0 0 0 0 0 0 0 0 TIMING: 2418200 CPU: 9723.43, 0.00395002/step Wall: 9723.43, 0.00395002/step, 0.0897531 hours remaining, 114.816406 MB of memory in use. ENERGY: 2418200 654.6131 1851.8038 1936.7337 109.4813 2.1419 -1052.4255 0.0000 0.0000 2693.1819 6195.5302 297.4694 3502.3483 6226.7631 297.4570 PRESSURE: 2418400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2418400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2418400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2418400 0 0 0 0 0 0 0 0 0 TIMING: 2418400 CPU: 9724.22, 0.00394878/step Wall: 9724.22, 0.00394878/step, 0.0895057 hours remaining, 114.820312 MB of memory in use. ENERGY: 2418400 690.6035 1856.3016 1926.6028 98.6320 1.5396 -1068.4476 0.0000 0.0000 2687.4959 6192.7278 296.8414 3505.2320 6222.5545 295.9087 PRESSURE: 2418600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2418600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2418600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2418600 0 0 0 0 0 0 0 0 0 TIMING: 2418600 CPU: 9725.01, 0.00394611/step Wall: 9725.01, 0.00394611/step, 0.0892259 hours remaining, 114.820312 MB of memory in use. ENERGY: 2418600 634.7836 1817.0223 1958.1502 110.3236 1.8540 -1029.3445 0.0000 0.0000 2660.9173 6153.7065 293.9057 3492.7892 6186.7733 295.6906 PRESSURE: 2418800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2418800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2418800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2418800 0 0 0 0 0 0 0 0 0 TIMING: 2418800 CPU: 9725.8, 0.00395144/step Wall: 9725.8, 0.00395144/step, 0.089127 hours remaining, 114.820312 MB of memory in use. ENERGY: 2418800 635.5705 1800.9209 1954.9423 108.2676 1.8581 -1040.5171 0.0000 0.0000 2709.3730 6170.4154 299.2578 3461.0424 6203.9235 295.9711 PRESSURE: 2419000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2419000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2419000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2419000 0 0 0 0 0 0 0 0 0 TIMING: 2419000 CPU: 9726.59, 0.00395082/step Wall: 9726.59, 0.00395082/step, 0.0888933 hours remaining, 114.820312 MB of memory in use. ENERGY: 2419000 649.7441 1805.4677 1958.0995 105.0112 1.3843 -1067.0231 0.0000 0.0000 2711.5367 6164.2204 299.4968 3452.6837 6199.2139 295.5111 PRESSURE: 2419200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2419200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2419200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2419200 0 0 0 0 0 0 0 0 0 TIMING: 2419200 CPU: 9727.38, 0.00395048/step Wall: 9727.38, 0.00395048/step, 0.0886663 hours remaining, 114.820312 MB of memory in use. ENERGY: 2419200 624.9464 1843.8126 1942.9806 116.8836 1.6131 -1052.3411 0.0000 0.0000 2721.4326 6199.3277 300.5898 3477.8951 6230.9611 296.9954 PRESSURE: 2419400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2419400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2419400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2419400 0 0 0 0 0 0 0 0 0 TIMING: 2419400 CPU: 9728.17, 0.0039509/step Wall: 9728.17, 0.0039509/step, 0.0884564 hours remaining, 114.820312 MB of memory in use. ENERGY: 2419400 658.1356 1811.3068 1967.9869 103.2378 2.3415 -1086.1218 0.0000 0.0000 2700.1678 6157.0546 298.2411 3456.8868 6192.1297 295.7269 PRESSURE: 2419600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2419600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2419600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2419600 0 0 0 0 0 0 0 0 0 TIMING: 2419600 CPU: 9728.96, 0.00394593/step Wall: 9728.96, 0.00394593/step, 0.0881257 hours remaining, 114.820312 MB of memory in use. ENERGY: 2419600 635.4920 1844.2450 1918.9309 106.9755 2.4466 -1056.6226 0.0000 0.0000 2713.6501 6165.1175 299.7302 3451.4674 6197.5039 295.7923 PRESSURE: 2419800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2419800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2419800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2419800 0 0 0 0 0 0 0 0 0 TIMING: 2419800 CPU: 9729.75, 0.00395541/step Wall: 9729.75, 0.00395541/step, 0.0881177 hours remaining, 114.820312 MB of memory in use. ENERGY: 2419800 669.5237 1898.7516 1916.9082 104.0930 1.3302 -1042.5326 0.0000 0.0000 2654.4544 6202.5285 293.1919 3548.0741 6230.0839 296.9468 PRESSURE: 2420000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2420000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2420000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2420000 0 0 0 0 0 0 0 0 0 TIMING: 2420000 CPU: 9730.54, 0.00395195/step Wall: 9730.54, 0.00395195/step, 0.0878212 hours remaining, 114.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2420000 600.6803 1838.6810 1918.0300 116.5882 2.2935 -1055.3822 0.0000 0.0000 2701.2605 6122.1513 298.3617 3420.8907 6156.8048 297.7813 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2420000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2420000 WRITING COORDINATES TO RESTART FILE AT STEP 2420000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2420000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2420200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2420200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2420200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2420200 0 0 0 0 0 0 0 0 0 TIMING: 2420200 CPU: 9731.37, 0.00413361/step Wall: 9731.37, 0.00413361/step, 0.0916284 hours remaining, 114.820312 MB of memory in use. ENERGY: 2420200 647.3158 1842.9670 1949.6141 114.5481 2.1562 -1061.7108 0.0000 0.0000 2701.4456 6196.3360 298.3822 3494.8904 6229.7097 296.4689 LDB: ============= START OF LOAD BALANCING ============== 9734.33 LDB: ============== END OF LOAD BALANCING =============== 9734.33 LDB: =============== DONE WITH MIGRATION ================ 9734.33 LDB: ============= START OF LOAD BALANCING ============== 9734.73 LDB: ============== END OF LOAD BALANCING =============== 9734.73 LDB: =============== DONE WITH MIGRATION ================ 9734.73 PRESSURE: 2420400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2420400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2420400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2420400 0 0 0 0 0 0 0 0 0 TIMING: 2420400 CPU: 9732.16, 0.00395548/step Wall: 9732.16, 0.00395548/step, 0.0874602 hours remaining, 114.820312 MB of memory in use. ENERGY: 2420400 631.1599 1873.6702 1948.0613 98.3572 1.6589 -1071.6180 0.0000 0.0000 2693.1521 6174.4417 297.4662 3481.2896 6205.9704 297.2149 PRESSURE: 2420600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2420600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2420600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2420600 0 0 0 0 0 0 0 0 0 TIMING: 2420600 CPU: 9732.95, 0.00394551/step Wall: 9732.95, 0.00394551/step, 0.0870204 hours remaining, 114.820312 MB of memory in use. ENERGY: 2420600 654.1156 1829.4703 1971.8907 102.0622 2.4478 -1094.8158 0.0000 0.0000 2660.9476 6126.1183 293.9091 3465.1708 6159.9150 296.7756 PRESSURE: 2420800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2420800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2420800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2420800 0 0 0 0 0 0 0 0 0 TIMING: 2420800 CPU: 9733.74, 0.00395126/step Wall: 9733.74, 0.00395126/step, 0.0869278 hours remaining, 114.820312 MB of memory in use. ENERGY: 2420800 630.8296 1850.8945 1986.2885 128.5155 2.1208 -1098.8853 0.0000 0.0000 2661.1430 6160.9067 293.9307 3499.7637 6191.3692 295.9493 PRESSURE: 2421000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2421000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2421000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2421000 0 0 0 0 0 0 0 0 0 TIMING: 2421000 CPU: 9734.53, 0.0039508/step Wall: 9734.53, 0.0039508/step, 0.0866982 hours remaining, 114.820312 MB of memory in use. ENERGY: 2421000 642.2211 1840.5079 1948.8974 94.7380 0.8817 -1006.6478 0.0000 0.0000 2697.2950 6217.8933 297.9237 3520.5983 6248.6020 297.9944 PRESSURE: 2421200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2421200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2421200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2421200 0 0 0 0 0 0 0 0 0 TIMING: 2421200 CPU: 9735.32, 0.00395074/step Wall: 9735.32, 0.00395074/step, 0.0864773 hours remaining, 114.820312 MB of memory in use. ENERGY: 2421200 709.2716 1889.1660 1947.7899 102.3263 2.0533 -1079.9280 0.0000 0.0000 2742.2976 6312.9767 302.8944 3570.6791 6343.8174 301.3245 PRESSURE: 2421400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2421400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2421400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2421400 0 0 0 0 0 0 0 0 0 TIMING: 2421400 CPU: 9736.11, 0.0039496/step Wall: 9736.11, 0.0039496/step, 0.0862329 hours remaining, 114.820312 MB of memory in use. ENERGY: 2421400 681.3820 1857.1538 1960.5906 101.4559 2.1632 -1069.3878 0.0000 0.0000 2731.9683 6265.3261 301.7535 3533.3577 6298.9244 301.1304 PRESSURE: 2421600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2421600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2421600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2421600 0 0 0 0 0 0 0 0 0 TIMING: 2421600 CPU: 9736.9, 0.00394562/step Wall: 9736.9, 0.00394562/step, 0.0859268 hours remaining, 114.820312 MB of memory in use. ENERGY: 2421600 642.8299 1870.7456 1954.5755 106.3274 0.9192 -1044.6590 0.0000 0.0000 2712.3488 6243.0873 299.5865 3530.7385 6275.3799 300.0055 PRESSURE: 2421800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2421800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2421800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2421800 0 0 0 0 0 0 0 0 0 TIMING: 2421800 CPU: 9737.69, 0.00395003/step Wall: 9737.69, 0.00395003/step, 0.0858035 hours remaining, 114.820312 MB of memory in use. ENERGY: 2421800 616.8339 1866.7931 1960.0850 104.6886 2.5555 -1046.9714 0.0000 0.0000 2723.1790 6227.1637 300.7827 3503.9848 6259.9127 300.6240 PRESSURE: 2422000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2422000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2422000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2422000 0 0 0 0 0 0 0 0 0 TIMING: 2422000 CPU: 9738.48, 0.00395892/step Wall: 9738.48, 0.00395892/step, 0.0857765 hours remaining, 114.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2422000 691.9488 1860.5866 1963.4663 115.8641 0.9824 -1059.9453 0.0000 0.0000 2692.1118 6265.0146 297.3512 3572.9028 6297.2622 299.8281 PRESSURE: 2422200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2422200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2422200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2422200 0 0 0 0 0 0 0 0 0 TIMING: 2422200 CPU: 9739.27, 0.00395318/step Wall: 9739.27, 0.00395318/step, 0.0854326 hours remaining, 114.820312 MB of memory in use. ENERGY: 2422200 658.0052 1879.5751 1955.8910 103.9622 2.0826 -1068.2742 0.0000 0.0000 2756.8515 6288.0935 304.5019 3531.2420 6322.1695 301.2876 PRESSURE: 2422400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2422400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2422400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2422400 0 0 0 0 0 0 0 0 0 TIMING: 2422400 CPU: 9740.06, 0.00394812/step Wall: 9740.06, 0.00394812/step, 0.0851039 hours remaining, 114.820312 MB of memory in use. ENERGY: 2422400 647.0888 1867.2603 1957.3926 105.7837 2.6014 -1061.8072 0.0000 0.0000 2759.9252 6278.2447 304.8414 3518.3195 6310.9653 303.2140 PRESSURE: 2422600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2422600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2422600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2422600 0 0 0 0 0 0 0 0 0 TIMING: 2422600 CPU: 9740.85, 0.00395284/step Wall: 9740.85, 0.00395284/step, 0.084986 hours remaining, 114.820312 MB of memory in use. ENERGY: 2422600 671.2698 1863.5878 1946.9487 105.9507 0.7451 -1099.4305 0.0000 0.0000 2770.6561 6259.7278 306.0267 3489.0716 6294.2069 302.6220 PRESSURE: 2422800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2422800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2422800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2422800 0 0 0 0 0 0 0 0 0 TIMING: 2422800 CPU: 9741.64, 0.00395255/step Wall: 9741.64, 0.00395255/step, 0.0847602 hours remaining, 114.820312 MB of memory in use. ENERGY: 2422800 640.0699 1876.8931 1963.2728 100.7139 1.1726 -1095.4981 0.0000 0.0000 2721.2006 6207.8248 300.5642 3486.6242 6244.0282 299.5995 PRESSURE: 2423000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2423000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2423000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2423000 0 0 0 0 0 0 0 0 0 TIMING: 2423000 CPU: 9742.43, 0.00395179/step Wall: 9742.43, 0.00395179/step, 0.0845244 hours remaining, 114.820312 MB of memory in use. ENERGY: 2423000 692.2318 1825.4411 1930.6434 107.8742 1.0411 -1075.1804 0.0000 0.0000 2693.6970 6175.7484 297.5263 3482.0514 6211.7038 296.7528 PRESSURE: 2423200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2423200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2423200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2423200 0 0 0 0 0 0 0 0 0 TIMING: 2423200 CPU: 9743.22, 0.00395223/step Wall: 9743.22, 0.00395223/step, 0.0843141 hours remaining, 114.820312 MB of memory in use. ENERGY: 2423200 696.1472 1854.2359 1987.1469 106.1851 1.3773 -1091.2881 0.0000 0.0000 2659.4762 6213.2804 293.7466 3553.8042 6246.8540 298.7088 PRESSURE: 2423400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2423400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2423400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2423400 0 0 0 0 0 0 0 0 0 TIMING: 2423400 CPU: 9744.01, 0.00394584/step Wall: 9744.01, 0.00394585/step, 0.0839588 hours remaining, 114.820312 MB of memory in use. ENERGY: 2423400 678.1768 1851.9091 1951.9104 108.4731 0.0609 -1058.4991 0.0000 0.0000 2770.5162 6302.5474 306.0112 3532.0313 6337.9177 301.9600 PRESSURE: 2423600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2423600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2423600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2423600 0 0 0 0 0 0 0 0 0 TIMING: 2423600 CPU: 9744.8, 0.00395213/step Wall: 9744.8, 0.00395213/step, 0.083873 hours remaining, 114.820312 MB of memory in use. ENERGY: 2423600 653.9682 1911.0285 1967.9156 111.0348 0.3106 -1075.3254 0.0000 0.0000 2714.4379 6283.3701 299.8172 3568.9322 6315.5645 305.2313 PRESSURE: 2423800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2423800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2423800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2423800 0 0 0 0 0 0 0 0 0 TIMING: 2423800 CPU: 9745.59, 0.00395261/step Wall: 9745.59, 0.00395261/step, 0.0836636 hours remaining, 114.820312 MB of memory in use. ENERGY: 2423800 668.6619 1842.7602 1968.6400 106.6889 2.0787 -1083.3132 0.0000 0.0000 2725.0352 6230.5516 300.9877 3505.5164 6262.4542 302.9947 PRESSURE: 2424000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2424000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2424000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2424000 0 0 0 0 0 0 0 0 0 TIMING: 2424000 CPU: 9746.39, 0.00395341/step Wall: 9746.39, 0.0039534/step, 0.0834607 hours remaining, 114.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2424000 650.0288 1839.5514 1972.9145 122.1105 1.3118 -1079.8390 0.0000 0.0000 2695.7776 6201.8555 297.7561 3506.0780 6237.2535 300.2682 PRESSURE: 2424200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2424200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2424200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2424200 0 0 0 0 0 0 0 0 0 TIMING: 2424200 CPU: 9747.18, 0.00395398/step Wall: 9747.18, 0.00395399/step, 0.0832535 hours remaining, 114.820312 MB of memory in use. ENERGY: 2424200 656.6411 1830.7794 1939.5494 115.0733 1.9619 -1062.9672 0.0000 0.0000 2721.7290 6202.7669 300.6225 3481.0379 6235.0656 297.2730 LDB: ============= START OF LOAD BALANCING ============== 9750.14 LDB: ============== END OF LOAD BALANCING =============== 9750.14 LDB: =============== DONE WITH MIGRATION ================ 9750.14 LDB: ============= START OF LOAD BALANCING ============== 9750.53 LDB: ============== END OF LOAD BALANCING =============== 9750.53 LDB: =============== DONE WITH MIGRATION ================ 9750.53 PRESSURE: 2424400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2424400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2424400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2424400 0 0 0 0 0 0 0 0 0 TIMING: 2424400 CPU: 9747.97, 0.00395276/step Wall: 9747.97, 0.00395276/step, 0.0830079 hours remaining, 114.820312 MB of memory in use. ENERGY: 2424400 658.2382 1822.0005 1955.6343 112.8712 1.1040 -1085.0378 0.0000 0.0000 2711.0985 6175.9089 299.4484 3464.8104 6209.8713 299.0735 PRESSURE: 2424600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2424600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2424600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2424600 0 0 0 0 0 0 0 0 0 TIMING: 2424600 CPU: 9748.76, 0.00395331/step Wall: 9748.76, 0.00395331/step, 0.0827998 hours remaining, 114.820312 MB of memory in use. ENERGY: 2424600 665.7064 1842.2551 1957.2350 100.5018 2.1736 -1077.1198 0.0000 0.0000 2680.2185 6170.9705 296.0376 3490.7520 6203.4660 297.5819 PRESSURE: 2424800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2424800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2424800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2424800 0 0 0 0 0 0 0 0 0 TIMING: 2424800 CPU: 9749.55, 0.00395456/step Wall: 9749.55, 0.00395456/step, 0.0826064 hours remaining, 114.820312 MB of memory in use. ENERGY: 2424800 695.8355 1835.4476 1987.5502 107.1458 2.6886 -1112.2739 0.0000 0.0000 2656.6095 6173.0034 293.4299 3516.3939 6205.8840 296.1257 PRESSURE: 2425000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2425000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2425000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2425000 0 0 0 0 0 0 0 0 0 TIMING: 2425000 CPU: 9750.34, 0.00395334/step Wall: 9750.34, 0.00395334/step, 0.0823613 hours remaining, 114.820312 MB of memory in use. ENERGY: 2425000 636.4620 1832.0575 1956.2596 100.8909 0.7216 -1074.3218 0.0000 0.0000 2717.7569 6169.8268 300.1838 3452.0699 6202.2223 296.9110 PRESSURE: 2425200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2425200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2425200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2425200 0 0 0 0 0 0 0 0 0 TIMING: 2425200 CPU: 9751.13, 0.00394738/step Wall: 9751.13, 0.00394738/step, 0.0820179 hours remaining, 114.820312 MB of memory in use. ENERGY: 2425200 634.6690 1830.6755 1966.7257 103.1975 0.9258 -1029.3039 0.0000 0.0000 2700.9685 6207.8581 298.3295 3506.8896 6242.2397 297.3668 PRESSURE: 2425400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2425400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2425400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2425400 0 0 0 0 0 0 0 0 0 TIMING: 2425400 CPU: 9751.92, 0.00395115/step Wall: 9751.92, 0.00395115/step, 0.0818766 hours remaining, 114.820312 MB of memory in use. ENERGY: 2425400 626.1935 1874.6899 1975.2388 111.6455 1.4373 -1050.6645 0.0000 0.0000 2734.8456 6273.3860 302.0713 3538.5405 6307.5219 299.0606 PRESSURE: 2425600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2425600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2425600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2425600 0 0 0 0 0 0 0 0 0 TIMING: 2425600 CPU: 9752.71, 0.00395264/step Wall: 9752.71, 0.00395264/step, 0.0816879 hours remaining, 114.820312 MB of memory in use. ENERGY: 2425600 627.8991 1918.2325 1958.5655 91.6575 1.3453 -1066.3667 0.0000 0.0000 2709.7747 6241.1079 299.3022 3531.3332 6275.7781 299.4626 PRESSURE: 2425800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2425800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2425800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2425800 0 0 0 0 0 0 0 0 0 TIMING: 2425800 CPU: 9753.5, 0.00395242/step Wall: 9753.5, 0.00395242/step, 0.0814639 hours remaining, 114.820312 MB of memory in use. ENERGY: 2425800 630.9936 1886.2521 1965.7829 109.8370 2.8834 -1070.7195 0.0000 0.0000 2721.3861 6246.4156 300.5847 3525.0295 6277.7930 302.0326 PRESSURE: 2426000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2426000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2426000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2426000 0 0 0 0 0 0 0 0 0 TIMING: 2426000 CPU: 9754.29, 0.0039533/step Wall: 9754.29, 0.0039533/step, 0.0812622 hours remaining, 114.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2426000 651.1666 1864.1904 1931.3949 107.5193 1.6825 -1036.0855 0.0000 0.0000 2653.8723 6173.7405 293.1276 3519.8683 6207.1071 300.1452 PRESSURE: 2426200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2426200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2426200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2426200 0 0 0 0 0 0 0 0 0 TIMING: 2426200 CPU: 9755.08, 0.00394731/step Wall: 9755.08, 0.00394731/step, 0.0809198 hours remaining, 114.820312 MB of memory in use. ENERGY: 2426200 658.3299 1913.3280 1936.3654 103.4062 1.8073 -1054.0983 0.0000 0.0000 2642.6088 6201.7472 291.8835 3559.1385 6231.9959 297.4196 PRESSURE: 2426400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2426400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2426400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2426400 0 0 0 0 0 0 0 0 0 TIMING: 2426400 CPU: 9755.87, 0.00395233/step Wall: 9755.87, 0.00395233/step, 0.0808031 hours remaining, 114.820312 MB of memory in use. ENERGY: 2426400 658.1115 1853.5821 1939.5981 105.6172 4.4864 -1076.6086 0.0000 0.0000 2719.2031 6203.9899 300.3436 3484.7868 6236.2676 299.4794 PRESSURE: 2426600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2426600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2426600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2426600 0 0 0 0 0 0 0 0 0 TIMING: 2426600 CPU: 9756.66, 0.00395497/step Wall: 9756.66, 0.00395497/step, 0.0806375 hours remaining, 114.820312 MB of memory in use. ENERGY: 2426600 668.8008 1862.2607 1964.7859 105.9915 2.6572 -1087.6963 0.0000 0.0000 2738.5254 6255.3251 302.4778 3516.7997 6288.0658 301.0136 PRESSURE: 2426800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2426800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2426800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2426800 0 0 0 0 0 0 0 0 0 TIMING: 2426800 CPU: 9757.45, 0.00395282/step Wall: 9757.45, 0.00395282/step, 0.0803739 hours remaining, 114.820312 MB of memory in use. ENERGY: 2426800 639.5207 1881.9515 1964.8148 97.0222 1.6210 -1080.5777 0.0000 0.0000 2741.0767 6245.4292 302.7596 3504.3525 6277.6542 300.7120 PRESSURE: 2427000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2427000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2427000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2427000 0 0 0 0 0 0 0 0 0 TIMING: 2427000 CPU: 9758.24, 0.00395449/step Wall: 9758.24, 0.00395449/step, 0.0801883 hours remaining, 114.820312 MB of memory in use. ENERGY: 2427000 650.9678 1878.1132 1981.7292 92.0360 1.3044 -1070.6769 0.0000 0.0000 2755.0962 6288.5698 304.3080 3533.4737 6320.5567 301.5650 PRESSURE: 2427200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2427200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2427200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2427200 0 0 0 0 0 0 0 0 0 TIMING: 2427200 CPU: 9759.03, 0.00394725/step Wall: 9759.03, 0.00394725/step, 0.0798222 hours remaining, 114.820312 MB of memory in use. ENERGY: 2427200 695.3587 1869.1818 1932.7313 103.7461 1.6298 -1049.6234 0.0000 0.0000 2711.3633 6264.3878 299.4776 3553.0244 6297.2617 301.5074 PRESSURE: 2427400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2427400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2427400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2427400 0 0 0 0 0 0 0 0 0 TIMING: 2427400 CPU: 9759.82, 0.00395164/step Wall: 9759.82, 0.00395164/step, 0.0796914 hours remaining, 114.820312 MB of memory in use. ENERGY: 2427400 666.1234 1884.6646 1974.2339 104.7074 2.4912 -1081.8535 0.0000 0.0000 2687.8996 6238.2666 296.8860 3550.3670 6272.5871 302.4867 PRESSURE: 2427600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2427600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2427600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2427600 0 0 0 0 0 0 0 0 0 TIMING: 2427600 CPU: 9760.61, 0.00395206/step Wall: 9760.61, 0.00395206/step, 0.0794804 hours remaining, 114.820312 MB of memory in use. ENERGY: 2427600 675.6148 1815.4581 1927.6481 112.6216 2.8006 -1083.7315 0.0000 0.0000 2778.2737 6228.6853 306.8681 3450.4116 6263.4570 301.3486 PRESSURE: 2427800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2427800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2427800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2427800 0 0 0 0 0 0 0 0 0 TIMING: 2427800 CPU: 9761.4, 0.00395535/step Wall: 9761.4, 0.00395535/step, 0.0793266 hours remaining, 114.820312 MB of memory in use. ENERGY: 2427800 661.9910 1857.3911 1978.3663 101.1066 1.2224 -1057.1190 0.0000 0.0000 2718.1195 6261.0779 300.2239 3542.9584 6297.1782 301.1437 PRESSURE: 2428000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2428000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2428000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2428000 0 0 0 0 0 0 0 0 0 TIMING: 2428000 CPU: 9762.19, 0.00395261/step Wall: 9762.19, 0.00395261/step, 0.0790522 hours remaining, 114.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2428000 669.3668 1876.5048 1987.8098 93.2807 1.3373 -1054.7201 0.0000 0.0000 2694.6366 6268.2157 297.6301 3573.5791 6300.5251 302.6626 PRESSURE: 2428200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2428200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2428200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2428200 0 0 0 0 0 0 0 0 0 TIMING: 2428200 CPU: 9762.98, 0.00394889/step Wall: 9762.98, 0.00394889/step, 0.0787584 hours remaining, 114.820312 MB of memory in use. ENERGY: 2428200 658.0014 1846.2216 1961.2183 113.1551 0.5618 -1087.7390 0.0000 0.0000 2742.1693 6233.5884 302.8802 3491.4191 6268.8881 301.8205 LDB: ============= START OF LOAD BALANCING ============== 9765.95 LDB: ============== END OF LOAD BALANCING =============== 9765.95 LDB: =============== DONE WITH MIGRATION ================ 9765.95 LDB: ============= START OF LOAD BALANCING ============== 9766.34 LDB: ============== END OF LOAD BALANCING =============== 9766.34 LDB: =============== DONE WITH MIGRATION ================ 9766.34 PRESSURE: 2428400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2428400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2428400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2428400 0 0 0 0 0 0 0 0 0 TIMING: 2428400 CPU: 9763.78, 0.00397212/step Wall: 9763.78, 0.00397212/step, 0.0790011 hours remaining, 114.820312 MB of memory in use. ENERGY: 2428400 685.8548 1844.8837 1953.3311 122.2988 2.3681 -1090.5369 0.0000 0.0000 2752.4710 6270.6707 304.0181 3518.1997 6302.0445 303.3082 PRESSURE: 2428600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2428600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2428600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2428600 0 0 0 0 0 0 0 0 0 TIMING: 2428600 CPU: 9764.57, 0.00396349/step Wall: 9764.57, 0.00396349/step, 0.0786092 hours remaining, 114.820312 MB of memory in use. ENERGY: 2428600 653.8788 1890.6943 1941.1696 112.9861 1.8515 -1052.7480 0.0000 0.0000 2720.5392 6268.3715 300.4911 3547.8323 6302.9836 301.2910 PRESSURE: 2428800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2428800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2428800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2428800 0 0 0 0 0 0 0 0 0 TIMING: 2428800 CPU: 9765.36, 0.00396363/step Wall: 9765.36, 0.00396363/step, 0.0783917 hours remaining, 114.820312 MB of memory in use. ENERGY: 2428800 613.5054 1944.6224 1968.1997 106.6250 2.2482 -1061.5836 0.0000 0.0000 2708.5108 6282.1279 299.1626 3573.6171 6315.2882 302.7259 PRESSURE: 2429000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2429000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2429000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2429000 0 0 0 0 0 0 0 0 0 TIMING: 2429000 CPU: 9766.15, 0.00394959/step Wall: 9766.15, 0.00394959/step, 0.0778948 hours remaining, 114.820312 MB of memory in use. ENERGY: 2429000 646.4981 1917.2883 1942.1555 111.5013 2.9746 -1074.1477 0.0000 0.0000 2765.5055 6311.7757 305.4578 3546.2702 6345.5655 303.3350 PRESSURE: 2429200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2429200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2429200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2429200 0 0 0 0 0 0 0 0 0 TIMING: 2429200 CPU: 9766.95, 0.00396821/step Wall: 9766.95, 0.00396821/step, 0.0780416 hours remaining, 114.820312 MB of memory in use. ENERGY: 2429200 649.2455 1896.3623 1936.1616 94.1942 2.0420 -1054.3646 0.0000 0.0000 2804.2698 6327.9108 309.7394 3523.6410 6360.6775 304.8596 PRESSURE: 2429400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2429400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2429400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2429400 0 0 0 0 0 0 0 0 0 TIMING: 2429400 CPU: 9767.74, 0.00395628/step Wall: 9767.74, 0.00395628/step, 0.077587 hours remaining, 114.820312 MB of memory in use. ENERGY: 2429400 682.4757 1827.1336 1977.2148 108.4949 2.6465 -1074.6764 0.0000 0.0000 2760.6796 6283.9687 304.9248 3523.2891 6319.9789 304.0518 PRESSURE: 2429600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2429600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2429600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2429600 0 0 0 0 0 0 0 0 0 TIMING: 2429600 CPU: 9768.53, 0.00395465/step Wall: 9768.53, 0.00395464/step, 0.0773352 hours remaining, 114.820312 MB of memory in use. ENERGY: 2429600 673.4502 1860.4331 1968.8151 117.1650 2.0396 -1066.4150 0.0000 0.0000 2733.3887 6288.8767 301.9104 3555.4880 6322.6948 301.3818 PRESSURE: 2429800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2429800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2429800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2429800 0 0 0 0 0 0 0 0 0 TIMING: 2429800 CPU: 9769.32, 0.0039545/step Wall: 9769.32, 0.00395451/step, 0.0771129 hours remaining, 114.820312 MB of memory in use. ENERGY: 2429800 632.4065 1842.5468 1950.4004 109.7115 2.3486 -1058.6390 0.0000 0.0000 2752.3298 6231.1046 304.0025 3478.7747 6265.5509 301.0871 PRESSURE: 2430000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2430000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2430000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2430000 0 0 0 0 0 0 0 0 0 TIMING: 2430000 CPU: 9770.11, 0.00394987/step Wall: 9770.11, 0.00394987/step, 0.0768031 hours remaining, 114.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2430000 618.2141 1821.5831 1944.1848 123.6805 1.2108 -1060.9709 0.0000 0.0000 2798.7379 6246.6402 309.1284 3447.9024 6283.1916 300.7420 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2430000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2430000 WRITING COORDINATES TO RESTART FILE AT STEP 2430000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2430000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2430200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2430200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2430200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2430200 0 0 0 0 0 0 0 0 0 TIMING: 2430200 CPU: 9770.95, 0.00420627/step Wall: 9770.95, 0.00420627/step, 0.0815549 hours remaining, 114.820312 MB of memory in use. ENERGY: 2430200 654.5154 1803.4032 1967.5219 113.7327 0.8637 -1042.3712 0.0000 0.0000 2745.9116 6243.5773 303.2936 3497.6657 6276.9324 301.5082 PRESSURE: 2430400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2430400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2430400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2430400 0 0 0 0 0 0 0 0 0 TIMING: 2430400 CPU: 9771.74, 0.00395202/step Wall: 9771.74, 0.00395201/step, 0.0764055 hours remaining, 114.820312 MB of memory in use. ENERGY: 2430400 627.1831 1855.1608 2001.4317 110.5298 2.8218 -1059.5124 0.0000 0.0000 2736.1183 6273.7331 302.2119 3537.6148 6305.8299 303.0208 PRESSURE: 2430600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2430600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2430600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2430600 0 0 0 0 0 0 0 0 0 TIMING: 2430600 CPU: 9772.53, 0.00395085/step Wall: 9772.53, 0.00395086/step, 0.0761638 hours remaining, 114.820312 MB of memory in use. ENERGY: 2430600 631.2332 1822.9516 1961.6786 110.1680 3.4254 -1055.1543 0.0000 0.0000 2737.2298 6211.5322 302.3347 3474.3024 6245.4549 298.8960 PRESSURE: 2430800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2430800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2430800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2430800 0 0 0 0 0 0 0 0 0 TIMING: 2430800 CPU: 9773.32, 0.00395069/step Wall: 9773.32, 0.00395069/step, 0.075941 hours remaining, 114.820312 MB of memory in use. ENERGY: 2430800 646.7170 1875.3329 1954.4912 113.9407 2.3256 -1073.0332 0.0000 0.0000 2702.5505 6222.3246 298.5042 3519.7741 6254.5952 299.5973 PRESSURE: 2431000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2431000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2431000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2431000 0 0 0 0 0 0 0 0 0 TIMING: 2431000 CPU: 9774.11, 0.00394661/step Wall: 9774.11, 0.00394661/step, 0.0756434 hours remaining, 114.820312 MB of memory in use. ENERGY: 2431000 650.3266 1881.5840 1948.2601 121.1243 2.3316 -1063.1248 0.0000 0.0000 2703.1151 6243.6169 298.5666 3540.5018 6275.4658 300.6199 PRESSURE: 2431200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2431200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2431200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2431200 0 0 0 0 0 0 0 0 0 TIMING: 2431200 CPU: 9774.9, 0.00395097/step Wall: 9774.9, 0.00395097/step, 0.0755074 hours remaining, 114.820312 MB of memory in use. ENERGY: 2431200 656.4169 1879.8304 1968.1726 110.5729 2.0751 -1079.3968 0.0000 0.0000 2722.4900 6260.1611 300.7066 3537.6711 6293.1707 301.3336 PRESSURE: 2431400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2431400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2431400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2431400 0 0 0 0 0 0 0 0 0 TIMING: 2431400 CPU: 9775.69, 0.00395192/step Wall: 9775.69, 0.00395192/step, 0.0753059 hours remaining, 114.820312 MB of memory in use. ENERGY: 2431400 693.1446 1813.3345 1948.7488 108.6131 3.6782 -1067.7102 0.0000 0.0000 2696.8828 6196.6919 297.8782 3499.8091 6227.7787 302.0817 PRESSURE: 2431600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2431600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2431600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2431600 0 0 0 0 0 0 0 0 0 TIMING: 2431600 CPU: 9776.48, 0.00395188/step Wall: 9776.48, 0.00395188/step, 0.0750857 hours remaining, 114.820312 MB of memory in use. ENERGY: 2431600 701.3426 1808.1027 1927.4281 105.8439 2.2667 -1071.8087 0.0000 0.0000 2693.7178 6166.8932 297.5286 3473.1754 6202.2241 298.7845 PRESSURE: 2431800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2431800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2431800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2431800 0 0 0 0 0 0 0 0 0 TIMING: 2431800 CPU: 9777.27, 0.00395205/step Wall: 9777.27, 0.00395206/step, 0.0748696 hours remaining, 114.824219 MB of memory in use. ENERGY: 2431800 671.3431 1825.6818 1938.3093 103.1031 1.4801 -1098.3401 0.0000 0.0000 2721.7916 6163.3690 300.6295 3441.5773 6198.6288 297.8001 PRESSURE: 2432000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2432000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2432000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2432000 0 0 0 0 0 0 0 0 0 TIMING: 2432000 CPU: 9778.06, 0.00394676/step Wall: 9778.06, 0.00394676/step, 0.0745498 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2432000 658.0973 1814.6916 1978.3536 97.6047 2.1468 -1074.8094 0.0000 0.0000 2701.7404 6177.8250 298.4148 3476.0845 6210.9834 296.3770 PRESSURE: 2432200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2432200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2432200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2432200 0 0 0 0 0 0 0 0 0 TIMING: 2432200 CPU: 9778.86, 0.00396446/step Wall: 9778.86, 0.00396446/step, 0.074664 hours remaining, 114.824219 MB of memory in use. ENERGY: 2432200 652.2065 1851.5338 1973.3787 104.6258 2.8577 -1080.3158 0.0000 0.0000 2717.5623 6221.8491 300.1623 3504.2868 6254.7013 298.9398 LDB: ============= START OF LOAD BALANCING ============== 9781.82 LDB: ============== END OF LOAD BALANCING =============== 9781.82 LDB: =============== DONE WITH MIGRATION ================ 9781.82 LDB: ============= START OF LOAD BALANCING ============== 9782.21 LDB: ============== END OF LOAD BALANCING =============== 9782.21 LDB: =============== DONE WITH MIGRATION ================ 9782.21 PRESSURE: 2432400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2432400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2432400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2432400 0 0 0 0 0 0 0 0 0 TIMING: 2432400 CPU: 9779.65, 0.0039544/step Wall: 9779.65, 0.0039544/step, 0.0742548 hours remaining, 114.824219 MB of memory in use. ENERGY: 2432400 644.7524 1880.0722 1967.5684 119.1004 3.4881 -1078.2357 0.0000 0.0000 2712.3488 6249.0947 299.5865 3536.7459 6282.2159 301.2949 PRESSURE: 2432600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2432600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2432600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2432600 0 0 0 0 0 0 0 0 0 TIMING: 2432600 CPU: 9780.44, 0.00394911/step Wall: 9780.44, 0.00394911/step, 0.0739361 hours remaining, 114.824219 MB of memory in use. ENERGY: 2432600 694.2407 1849.2606 1942.7628 99.3447 2.4911 -1115.3043 0.0000 0.0000 2778.3983 6251.1938 306.8818 3472.7955 6285.9874 300.3188 PRESSURE: 2432800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2432800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2432800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2432800 0 0 0 0 0 0 0 0 0 TIMING: 2432800 CPU: 9781.23, 0.00394873/step Wall: 9781.23, 0.00394873/step, 0.0737097 hours remaining, 114.824219 MB of memory in use. ENERGY: 2432800 654.5601 1810.4946 1951.5017 108.3595 2.9193 -1049.3796 0.0000 0.0000 2709.6957 6188.1514 299.2934 3478.4558 6221.5401 300.7331 PRESSURE: 2433000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2433000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2433000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2433000 0 0 0 0 0 0 0 0 0 TIMING: 2433000 CPU: 9782.01, 0.00394511/step Wall: 9782.01, 0.00394511/step, 0.073423 hours remaining, 114.824219 MB of memory in use. ENERGY: 2433000 662.5496 1849.2585 1935.1137 105.3150 4.3107 -1062.9192 0.0000 0.0000 2694.6824 6188.3107 297.6352 3493.6284 6220.0411 298.2845 PRESSURE: 2433200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2433200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2433200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2433200 0 0 0 0 0 0 0 0 0 TIMING: 2433200 CPU: 9782.81, 0.00395027/step Wall: 9782.81, 0.00395027/step, 0.0732995 hours remaining, 114.824219 MB of memory in use. ENERGY: 2433200 626.7025 1837.6267 1945.6567 105.2650 2.0474 -1044.4649 0.0000 0.0000 2685.8601 6158.6935 296.6607 3472.8334 6191.1570 296.7751 PRESSURE: 2433400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2433400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2433400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2433400 0 0 0 0 0 0 0 0 0 TIMING: 2433400 CPU: 9783.59, 0.00394883/step Wall: 9783.59, 0.00394883/step, 0.0730533 hours remaining, 114.824219 MB of memory in use. ENERGY: 2433400 673.0160 1886.6467 1927.7386 100.2201 2.8852 -1094.3903 0.0000 0.0000 2707.1976 6203.3139 299.0175 3496.1163 6235.2438 297.2692 PRESSURE: 2433600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2433600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2433600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2433600 0 0 0 0 0 0 0 0 0 TIMING: 2433600 CPU: 9784.38, 0.00394796/step Wall: 9784.38, 0.00394796/step, 0.0728179 hours remaining, 114.824219 MB of memory in use. ENERGY: 2433600 632.3981 1857.2645 1951.5672 114.4793 0.7792 -1062.6313 0.0000 0.0000 2741.5279 6235.3849 302.8094 3493.8570 6269.1303 300.1787 PRESSURE: 2433800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2433800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2433800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2433800 0 0 0 0 0 0 0 0 0 TIMING: 2433800 CPU: 9785.17, 0.00394578/step Wall: 9785.17, 0.00394578/step, 0.0725586 hours remaining, 114.824219 MB of memory in use. ENERGY: 2433800 629.4466 1880.2672 1982.4170 112.7598 2.4455 -1072.2037 0.0000 0.0000 2708.7632 6243.8957 299.1904 3535.1325 6275.0934 299.0692 PRESSURE: 2434000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2434000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2434000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2434000 0 0 0 0 0 0 0 0 0 TIMING: 2434000 CPU: 9785.96, 0.00394814/step Wall: 9785.96, 0.00394814/step, 0.0723825 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2434000 624.2728 1897.1917 1967.5967 107.7383 3.0779 -1049.1269 0.0000 0.0000 2691.1104 6241.8609 297.2406 3550.7505 6272.5253 300.3396 PRESSURE: 2434200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2434200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2434200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2434200 0 0 0 0 0 0 0 0 0 TIMING: 2434200 CPU: 9786.75, 0.00394869/step Wall: 9786.75, 0.00394869/step, 0.0721734 hours remaining, 114.824219 MB of memory in use. ENERGY: 2434200 618.3146 1862.5732 1972.2441 103.0610 2.7123 -1063.0820 0.0000 0.0000 2734.6597 6230.4828 302.0508 3495.8231 6263.4339 301.2065 PRESSURE: 2434400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2434400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2434400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2434400 0 0 0 0 0 0 0 0 0 TIMING: 2434400 CPU: 9787.54, 0.00394951/step Wall: 9787.54, 0.00394951/step, 0.0719689 hours remaining, 114.824219 MB of memory in use. ENERGY: 2434400 643.0030 1834.1818 1989.3188 103.1899 2.4022 -1095.7946 0.0000 0.0000 2704.2459 6180.5468 298.6915 3476.3009 6213.2640 298.1082 PRESSURE: 2434600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2434600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2434600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2434600 0 0 0 0 0 0 0 0 0 TIMING: 2434600 CPU: 9788.33, 0.00394981/step Wall: 9788.33, 0.00394981/step, 0.0717548 hours remaining, 114.824219 MB of memory in use. ENERGY: 2434600 618.6642 1845.8147 1969.1764 96.7791 3.0094 -1075.0743 0.0000 0.0000 2704.2968 6162.6663 298.6971 3458.3695 6197.7088 297.1541 PRESSURE: 2434800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2434800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2434800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2434800 0 0 0 0 0 0 0 0 0 TIMING: 2434800 CPU: 9789.12, 0.00394548/step Wall: 9789.12, 0.00394548/step, 0.071457 hours remaining, 114.824219 MB of memory in use. ENERGY: 2434800 668.3928 1793.8188 1957.9490 113.2192 3.6595 -1053.9381 0.0000 0.0000 2726.5363 6209.6375 301.1535 3483.1012 6242.9104 298.6480 PRESSURE: 2435000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2435000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2435000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2435000 0 0 0 0 0 0 0 0 0 TIMING: 2435000 CPU: 9789.91, 0.0039474/step Wall: 9789.91, 0.0039474/step, 0.0712725 hours remaining, 114.824219 MB of memory in use. ENERGY: 2435000 640.0420 1872.8130 1927.7240 101.6056 2.2511 -1097.2286 0.0000 0.0000 2745.7955 6193.0024 303.2808 3447.2070 6226.8160 298.3476 PRESSURE: 2435200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2435200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2435200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2435200 0 0 0 0 0 0 0 0 0 TIMING: 2435200 CPU: 9790.7, 0.00394774/step Wall: 9790.7, 0.00394774/step, 0.0710593 hours remaining, 114.824219 MB of memory in use. ENERGY: 2435200 664.0018 1892.6129 1958.0022 119.4690 2.7938 -1054.8517 0.0000 0.0000 2640.3200 6222.3480 291.6307 3582.0279 6252.4690 301.1714 PRESSURE: 2435400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2435400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2435400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2435400 0 0 0 0 0 0 0 0 0 TIMING: 2435400 CPU: 9791.49, 0.00394878/step Wall: 9791.49, 0.00394878/step, 0.0708587 hours remaining, 114.824219 MB of memory in use. ENERGY: 2435400 664.0405 1808.1806 1946.2805 104.5155 3.7217 -1067.3339 0.0000 0.0000 2687.7559 6147.1607 296.8701 3459.4048 6179.7979 296.7729 PRESSURE: 2435600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2435600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2435600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2435600 0 0 0 0 0 0 0 0 0 TIMING: 2435600 CPU: 9792.28, 0.00394803/step Wall: 9792.28, 0.00394803/step, 0.0706259 hours remaining, 114.824219 MB of memory in use. ENERGY: 2435600 663.5181 1834.0349 1945.3667 117.7120 3.4808 -1089.9059 0.0000 0.0000 2656.4081 6130.6146 293.4077 3474.2066 6161.0838 294.5546 PRESSURE: 2435800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2435800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2435800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2435800 0 0 0 0 0 0 0 0 0 TIMING: 2435800 CPU: 9793.07, 0.00394611/step Wall: 9793.07, 0.00394611/step, 0.0703722 hours remaining, 114.824219 MB of memory in use. ENERGY: 2435800 646.9716 1813.9093 1945.8339 109.9624 2.5487 -1040.3814 0.0000 0.0000 2704.8270 6183.6714 298.7557 3478.8444 6215.5191 296.7385 PRESSURE: 2436000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2436000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2436000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2436000 0 0 0 0 0 0 0 0 0 TIMING: 2436000 CPU: 9793.86, 0.00394683/step Wall: 9793.86, 0.00394683/step, 0.070166 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2436000 645.5887 1883.2494 1939.7952 94.9628 2.6554 -1058.1400 0.0000 0.0000 2616.4155 6124.5271 288.9904 3508.1116 6153.4441 297.0442 PRESSURE: 2436200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2436200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2436200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2436200 0 0 0 0 0 0 0 0 0 TIMING: 2436200 CPU: 9794.65, 0.00394711/step Wall: 9794.65, 0.00394711/step, 0.0699515 hours remaining, 114.824219 MB of memory in use. ENERGY: 2436200 607.3972 1856.6361 1939.8602 89.5658 3.1391 -1082.7762 0.0000 0.0000 2684.9525 6098.7748 296.5605 3413.8222 6134.0075 294.4367 LDB: ============= START OF LOAD BALANCING ============== 9797.61 LDB: ============== END OF LOAD BALANCING =============== 9797.61 LDB: =============== DONE WITH MIGRATION ================ 9797.61 LDB: ============= START OF LOAD BALANCING ============== 9798 LDB: ============== END OF LOAD BALANCING =============== 9798 LDB: =============== DONE WITH MIGRATION ================ 9798 PRESSURE: 2436400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2436400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2436400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2436400 0 0 0 0 0 0 0 0 0 TIMING: 2436400 CPU: 9795.44, 0.00395233/step Wall: 9795.44, 0.00395233/step, 0.0698244 hours remaining, 114.824219 MB of memory in use. ENERGY: 2436400 682.8089 1791.0827 1934.6008 104.7273 3.2066 -1097.7153 0.0000 0.0000 2659.6690 6078.3799 293.7678 3418.7109 6108.9021 291.7790 PRESSURE: 2436600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2436600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2436600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2436600 0 0 0 0 0 0 0 0 0 TIMING: 2436600 CPU: 9796.23, 0.00394708/step Wall: 9796.23, 0.00394708/step, 0.0695125 hours remaining, 114.824219 MB of memory in use. ENERGY: 2436600 636.2239 1818.2619 1933.1139 95.5927 1.4239 -1078.8906 0.0000 0.0000 2646.3399 6052.0656 292.2956 3405.7257 6083.6639 291.5307 PRESSURE: 2436800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2436800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2436800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2436800 0 0 0 0 0 0 0 0 0 TIMING: 2436800 CPU: 9797.02, 0.00394516/step Wall: 9797.02, 0.00394516/step, 0.0692595 hours remaining, 114.824219 MB of memory in use. ENERGY: 2436800 644.5932 1796.2597 1976.6158 104.4899 2.9490 -1091.8468 0.0000 0.0000 2628.6728 6061.7338 290.3442 3433.0609 6093.7438 290.1527 PRESSURE: 2437000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2437000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2437000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2437000 0 0 0 0 0 0 0 0 0 TIMING: 2437000 CPU: 9797.81, 0.00394778/step Wall: 9797.81, 0.00394778/step, 0.0690861 hours remaining, 114.824219 MB of memory in use. ENERGY: 2437000 662.5848 1829.3174 1961.3840 99.7906 3.3831 -1086.4163 0.0000 0.0000 2652.0160 6122.0596 292.9226 3470.0436 6152.9424 291.5250 PRESSURE: 2437200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2437200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2437200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2437200 0 0 0 0 0 0 0 0 0 TIMING: 2437200 CPU: 9798.6, 0.00394721/step Wall: 9798.6, 0.00394721/step, 0.0688569 hours remaining, 114.824219 MB of memory in use. ENERGY: 2437200 630.0807 1833.9637 1929.3287 104.2527 1.9832 -1061.1934 0.0000 0.0000 2687.9981 6126.4138 296.8969 3438.4157 6162.7512 294.1915 PRESSURE: 2437400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2437400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2437400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2437400 0 0 0 0 0 0 0 0 0 TIMING: 2437400 CPU: 9799.39, 0.0039494/step Wall: 9799.39, 0.0039494/step, 0.0686757 hours remaining, 114.824219 MB of memory in use. ENERGY: 2437400 637.8058 1835.2511 1963.6649 96.1314 1.4915 -1071.0172 0.0000 0.0000 2672.8452 6136.1727 295.2232 3463.3275 6169.0594 295.5904 PRESSURE: 2437600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2437600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2437600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2437600 0 0 0 0 0 0 0 0 0 TIMING: 2437600 CPU: 9800.18, 0.00394567/step Wall: 9800.18, 0.00394567/step, 0.0683917 hours remaining, 114.824219 MB of memory in use. ENERGY: 2437600 662.9946 1867.2062 1962.7614 112.5742 4.1525 -1077.0689 0.0000 0.0000 2629.7231 6162.3431 290.4602 3532.6201 6192.9834 296.3360 PRESSURE: 2437800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2437800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2437800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2437800 0 0 0 0 0 0 0 0 0 TIMING: 2437800 CPU: 9800.97, 0.00394971/step Wall: 9800.97, 0.00394971/step, 0.0682422 hours remaining, 114.824219 MB of memory in use. ENERGY: 2437800 653.5706 1807.3120 1952.1020 102.8627 2.9039 -1087.1692 0.0000 0.0000 2677.0032 6108.5851 295.6825 3431.5819 6140.9233 295.8685 PRESSURE: 2438000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2438000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2438000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2438000 0 0 0 0 0 0 0 0 0 TIMING: 2438000 CPU: 9801.75, 0.00394892/step Wall: 9801.75, 0.00394892/step, 0.0680091 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2438000 683.2454 1819.8686 1964.0442 97.8998 2.9467 -1073.3090 0.0000 0.0000 2703.8048 6198.5005 298.6428 3494.6956 6230.0029 295.7611 PRESSURE: 2438200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2438200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2438200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2438200 0 0 0 0 0 0 0 0 0 TIMING: 2438200 CPU: 9802.54, 0.00394915/step Wall: 9802.54, 0.00394915/step, 0.0677937 hours remaining, 114.824219 MB of memory in use. ENERGY: 2438200 695.1018 1859.1096 1933.9215 109.8500 2.0828 -1096.1197 0.0000 0.0000 2720.6381 6224.5842 300.5021 3503.9461 6257.0603 299.2631 PRESSURE: 2438400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2438400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2438400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2438400 0 0 0 0 0 0 0 0 0 TIMING: 2438400 CPU: 9803.33, 0.00394687/step Wall: 9803.33, 0.00394687/step, 0.0675354 hours remaining, 114.824219 MB of memory in use. ENERGY: 2438400 656.2371 1893.2583 1922.3857 107.5577 2.5906 -1075.1439 0.0000 0.0000 2710.1168 6217.0024 299.3399 3506.8856 6250.7016 299.7647 PRESSURE: 2438600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2438600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2438600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2438600 0 0 0 0 0 0 0 0 0 TIMING: 2438600 CPU: 9804.12, 0.0039431/step Wall: 9804.12, 0.0039431/step, 0.0672518 hours remaining, 114.824219 MB of memory in use. ENERGY: 2438600 670.9861 1864.1354 1928.0413 109.8707 2.3824 -1056.8900 0.0000 0.0000 2662.2677 6180.7937 294.0549 3518.5260 6210.7612 298.7642 PRESSURE: 2438800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2438800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2438800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2438800 0 0 0 0 0 0 0 0 0 TIMING: 2438800 CPU: 9804.91, 0.00394655/step Wall: 9804.91, 0.00394655/step, 0.0670913 hours remaining, 114.824219 MB of memory in use. ENERGY: 2438800 692.9979 1825.9993 1945.9756 117.0753 3.0937 -1091.9287 0.0000 0.0000 2674.4121 6167.6252 295.3963 3493.2131 6199.0804 296.9764 PRESSURE: 2439000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2439000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2439000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2439000 0 0 0 0 0 0 0 0 0 TIMING: 2439000 CPU: 9805.7, 0.00394853/step Wall: 9805.7, 0.00394853/step, 0.0669056 hours remaining, 114.824219 MB of memory in use. ENERGY: 2439000 666.3845 1835.8606 1956.1317 110.9560 2.0485 -1078.0515 0.0000 0.0000 2711.3436 6204.6734 299.4755 3493.3299 6238.0877 296.5255 PRESSURE: 2439200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2439200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2439200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2439200 0 0 0 0 0 0 0 0 0 TIMING: 2439200 CPU: 9806.49, 0.00394971/step Wall: 9806.49, 0.00394971/step, 0.0667063 hours remaining, 114.824219 MB of memory in use. ENERGY: 2439200 689.7375 1856.4442 1967.7428 111.4338 2.1553 -1091.6851 0.0000 0.0000 2686.6286 6222.4570 296.7456 3535.8284 6256.0710 298.7784 PRESSURE: 2439400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2439400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2439400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2439400 0 0 0 0 0 0 0 0 0 TIMING: 2439400 CPU: 9807.28, 0.00394896/step Wall: 9807.28, 0.00394896/step, 0.0664741 hours remaining, 114.824219 MB of memory in use. ENERGY: 2439400 658.7651 1837.0283 1971.5819 110.8893 2.0372 -1102.0644 0.0000 0.0000 2729.7844 6208.0218 301.5123 3478.2374 6244.0845 299.8637 PRESSURE: 2439600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2439600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2439600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2439600 0 0 0 0 0 0 0 0 0 TIMING: 2439600 CPU: 9808.07, 0.00394493/step Wall: 9808.07, 0.00394493/step, 0.0661871 hours remaining, 114.824219 MB of memory in use. ENERGY: 2439600 655.9310 1895.5004 1970.9139 102.9468 2.9896 -1076.6955 0.0000 0.0000 2669.2922 6220.8784 294.8308 3551.5862 6251.8948 298.5709 PRESSURE: 2439800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2439800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2439800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2439800 0 0 0 0 0 0 0 0 0 TIMING: 2439800 CPU: 9808.86, 0.00394925/step Wall: 9808.86, 0.00394925/step, 0.0660402 hours remaining, 114.824219 MB of memory in use. ENERGY: 2439800 695.6945 1851.5075 1953.8624 104.3443 0.9482 -1064.6596 0.0000 0.0000 2687.4876 6229.1848 296.8405 3541.6972 6262.8450 299.4334 PRESSURE: 2440000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2440000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2440000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2440000 0 0 0 0 0 0 0 0 0 TIMING: 2440000 CPU: 9809.65, 0.00394928/step Wall: 9809.65, 0.00394928/step, 0.0658213 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2440000 680.5086 1850.2007 1980.9793 108.2459 2.5805 -1087.0785 0.0000 0.0000 2701.5152 6236.9517 298.3899 3535.4365 6270.4655 299.4721 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2440000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2440000 WRITING COORDINATES TO RESTART FILE AT STEP 2440000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2440000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2440200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2440200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2440200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2440200 0 0 0 0 0 0 0 0 0 TIMING: 2440200 CPU: 9810.48, 0.00415854/step Wall: 9810.48, 0.00415854/step, 0.069078 hours remaining, 114.824219 MB of memory in use. ENERGY: 2440200 627.9550 1873.0865 1961.8089 97.8880 2.5871 -1073.4358 0.0000 0.0000 2700.6615 6190.5510 298.2956 3489.8896 6223.6519 297.5972 LDB: ============= START OF LOAD BALANCING ============== 9813.44 LDB: ============== END OF LOAD BALANCING =============== 9813.44 LDB: =============== DONE WITH MIGRATION ================ 9813.44 LDB: ============= START OF LOAD BALANCING ============== 9813.84 LDB: ============== END OF LOAD BALANCING =============== 9813.84 LDB: =============== DONE WITH MIGRATION ================ 9813.84 PRESSURE: 2440400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2440400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2440400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2440400 0 0 0 0 0 0 0 0 0 TIMING: 2440400 CPU: 9811.27, 0.00395457/step Wall: 9811.27, 0.00395457/step, 0.0654701 hours remaining, 114.824219 MB of memory in use. ENERGY: 2440400 661.5258 1867.9933 1963.9988 105.1030 1.6737 -1038.4039 0.0000 0.0000 2719.8321 6281.7228 300.4130 3561.8907 6315.4831 300.6924 PRESSURE: 2440600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2440600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2440600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2440600 0 0 0 0 0 0 0 0 0 TIMING: 2440600 CPU: 9812.06, 0.00394478/step Wall: 9812.06, 0.00394478/step, 0.0650889 hours remaining, 114.824219 MB of memory in use. ENERGY: 2440600 668.2494 1895.4447 1935.8365 110.4000 1.1102 -1044.2913 0.0000 0.0000 2721.0208 6287.7703 300.5443 3566.7495 6319.2876 301.6932 PRESSURE: 2440800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2440800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2440800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2440800 0 0 0 0 0 0 0 0 0 TIMING: 2440800 CPU: 9812.85, 0.00394753/step Wall: 9812.85, 0.00394753/step, 0.0649149 hours remaining, 114.824219 MB of memory in use. ENERGY: 2440800 655.2589 1812.5701 1985.0974 106.8954 1.8743 -1046.8917 0.0000 0.0000 2705.5790 6220.3835 298.8387 3514.8045 6254.3045 300.8967 PRESSURE: 2441000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2441000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2441000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2441000 0 0 0 0 0 0 0 0 0 TIMING: 2441000 CPU: 9813.64, 0.00394963/step Wall: 9813.64, 0.00394963/step, 0.0647301 hours remaining, 114.824219 MB of memory in use. ENERGY: 2441000 628.9871 1838.5556 1982.0059 93.4915 1.4800 -1084.7039 0.0000 0.0000 2785.9946 6245.8108 307.7209 3459.8162 6279.9812 298.8965 PRESSURE: 2441200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2441200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2441200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2441200 0 0 0 0 0 0 0 0 0 TIMING: 2441200 CPU: 9814.43, 0.00394938/step Wall: 9814.43, 0.00394938/step, 0.0645065 hours remaining, 114.824219 MB of memory in use. ENERGY: 2441200 639.5904 1893.5850 1985.7721 112.9337 1.8265 -1087.8596 0.0000 0.0000 2703.0756 6248.9238 298.5622 3545.8481 6280.4900 302.9780 PRESSURE: 2441400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2441400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2441400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2441400 0 0 0 0 0 0 0 0 0 TIMING: 2441400 CPU: 9815.22, 0.00394742/step Wall: 9815.22, 0.00394742/step, 0.0642553 hours remaining, 114.824219 MB of memory in use. ENERGY: 2441400 640.3537 1898.5384 1930.2264 91.2635 1.3402 -1057.2342 0.0000 0.0000 2752.9800 6257.4680 304.0743 3504.4880 6292.3332 301.5022 PRESSURE: 2441600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2441600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2441600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2441600 0 0 0 0 0 0 0 0 0 TIMING: 2441600 CPU: 9816.01, 0.00394953/step Wall: 9816.01, 0.00394953/step, 0.0640702 hours remaining, 114.824219 MB of memory in use. ENERGY: 2441600 652.9815 1866.7122 1968.5034 105.2031 2.2632 -1092.4937 0.0000 0.0000 2764.1964 6267.3662 305.3132 3503.1698 6299.9841 302.3515 PRESSURE: 2441800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2441800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2441800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2441800 0 0 0 0 0 0 0 0 0 TIMING: 2441800 CPU: 9816.8, 0.00394953/step Wall: 9816.8, 0.00394953/step, 0.0638508 hours remaining, 114.824219 MB of memory in use. ENERGY: 2441800 661.5152 1839.7694 1967.0227 113.0894 2.8731 -1041.3727 0.0000 0.0000 2758.4852 6301.3822 304.6824 3542.8971 6336.4571 301.8911 PRESSURE: 2442000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2442000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2442000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2442000 0 0 0 0 0 0 0 0 0 TIMING: 2442000 CPU: 9817.59, 0.00394977/step Wall: 9817.59, 0.00394977/step, 0.0636351 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2442000 664.6366 1901.6332 1970.8245 110.0942 1.9217 -1108.5667 0.0000 0.0000 2673.2985 6213.8420 295.2733 3540.5435 6245.7100 301.8419 PRESSURE: 2442200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2442200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2442200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2442200 0 0 0 0 0 0 0 0 0 TIMING: 2442200 CPU: 9818.38, 0.003961/step Wall: 9818.38, 0.003961/step, 0.063596 hours remaining, 114.824219 MB of memory in use. ENERGY: 2442200 646.8504 1847.0953 1960.4375 127.3530 2.1277 -1114.8572 0.0000 0.0000 2744.2748 6213.2815 303.1128 3469.0067 6248.4720 300.5526 PRESSURE: 2442400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2442400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2442400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2442400 0 0 0 0 0 0 0 0 0 TIMING: 2442400 CPU: 9819.17, 0.00394518/step Wall: 9819.17, 0.00394518/step, 0.0631228 hours remaining, 114.824219 MB of memory in use. ENERGY: 2442400 688.8260 1858.1895 1972.3869 107.7078 3.1718 -1098.4217 0.0000 0.0000 2659.3603 6191.2207 293.7338 3531.8604 6221.4313 298.1319 PRESSURE: 2442600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2442600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2442600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2442600 0 0 0 0 0 0 0 0 0 TIMING: 2442600 CPU: 9819.96, 0.00394689/step Wall: 9819.96, 0.00394689/step, 0.062931 hours remaining, 114.824219 MB of memory in use. ENERGY: 2442600 653.3999 1915.0167 1980.5278 111.2267 2.8378 -1116.5974 0.0000 0.0000 2728.0164 6274.4279 301.3170 3546.4116 6305.6564 300.2899 PRESSURE: 2442800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2442800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2442800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2442800 0 0 0 0 0 0 0 0 0 TIMING: 2442800 CPU: 9820.75, 0.00394873/step Wall: 9820.75, 0.00394873/step, 0.0627409 hours remaining, 114.824219 MB of memory in use. ENERGY: 2442800 648.9252 1878.7301 1970.7990 106.6413 2.1285 -1071.7783 0.0000 0.0000 2722.3788 6257.8246 300.6943 3535.4458 6293.5895 302.7869 PRESSURE: 2443000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2443000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2443000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2443000 0 0 0 0 0 0 0 0 0 TIMING: 2443000 CPU: 9821.54, 0.00395288/step Wall: 9821.54, 0.00395288/step, 0.0625873 hours remaining, 114.824219 MB of memory in use. ENERGY: 2443000 656.0063 1891.4005 1954.4665 93.8003 1.9464 -1083.6395 0.0000 0.0000 2751.1505 6265.1311 303.8722 3513.9806 6296.2517 302.5344 PRESSURE: 2443200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2443200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2443200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2443200 0 0 0 0 0 0 0 0 0 TIMING: 2443200 CPU: 9822.33, 0.00394939/step Wall: 9822.33, 0.00394939/step, 0.0623126 hours remaining, 114.824219 MB of memory in use. ENERGY: 2443200 683.8274 1862.1048 1985.7017 104.1991 1.5779 -1082.2951 0.0000 0.0000 2747.9919 6303.1077 303.5234 3555.1158 6336.5061 304.2229 PRESSURE: 2443400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2443400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2443400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2443400 0 0 0 0 0 0 0 0 0 TIMING: 2443400 CPU: 9823.12, 0.00394495/step Wall: 9823.12, 0.00394495/step, 0.0620234 hours remaining, 114.824219 MB of memory in use. ENERGY: 2443400 683.2191 1833.6745 2003.7039 103.9250 4.1079 -1097.6000 0.0000 0.0000 2748.8456 6279.8760 303.6177 3531.0304 6315.5194 304.3976 PRESSURE: 2443600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2443600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2443600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2443600 0 0 0 0 0 0 0 0 0 TIMING: 2443600 CPU: 9823.91, 0.00394937/step Wall: 9823.91, 0.00394937/step, 0.0618735 hours remaining, 114.824219 MB of memory in use. ENERGY: 2443600 682.8889 1845.9188 1950.8589 107.5632 1.2337 -1075.8053 0.0000 0.0000 2751.0377 6263.6960 303.8598 3512.6583 6295.7065 303.0501 PRESSURE: 2443800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2443800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2443800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2443800 0 0 0 0 0 0 0 0 0 TIMING: 2443800 CPU: 9824.7, 0.00394928/step Wall: 9824.7, 0.00394928/step, 0.0616526 hours remaining, 114.824219 MB of memory in use. ENERGY: 2443800 651.3345 1885.0155 2003.9085 92.4941 2.2485 -1091.6406 0.0000 0.0000 2766.3911 6309.7517 305.5556 3543.3606 6344.3527 303.3715 PRESSURE: 2444000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2444000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2444000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2444000 0 0 0 0 0 0 0 0 0 TIMING: 2444000 CPU: 9825.49, 0.00394948/step Wall: 9825.49, 0.00394948/step, 0.0614364 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2444000 653.1000 1894.5424 1976.5228 101.1628 1.4715 -1075.6521 0.0000 0.0000 2717.2537 6268.4010 300.1282 3551.1473 6301.4680 303.6118 PRESSURE: 2444200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2444200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2444200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2444200 0 0 0 0 0 0 0 0 0 TIMING: 2444200 CPU: 9826.28, 0.00394405/step Wall: 9826.28, 0.00394405/step, 0.0611328 hours remaining, 114.824219 MB of memory in use. ENERGY: 2444200 665.1558 1895.1385 1962.4526 106.5488 2.1993 -1077.4734 0.0000 0.0000 2727.9718 6281.9934 301.3121 3554.0215 6314.2666 301.1041 LDB: ============= START OF LOAD BALANCING ============== 9829.24 LDB: ============== END OF LOAD BALANCING =============== 9829.24 LDB: =============== DONE WITH MIGRATION ================ 9829.24 LDB: ============= START OF LOAD BALANCING ============== 9829.64 LDB: ============== END OF LOAD BALANCING =============== 9829.64 LDB: =============== DONE WITH MIGRATION ================ 9829.64 PRESSURE: 2444400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2444400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2444400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2444400 0 0 0 0 0 0 0 0 0 TIMING: 2444400 CPU: 9827.07, 0.00397505/step Wall: 9827.07, 0.00397505/step, 0.0613924 hours remaining, 114.824219 MB of memory in use. ENERGY: 2444400 636.0397 1861.5172 1990.6515 104.6003 2.4097 -1058.6785 0.0000 0.0000 2674.1119 6210.6519 295.3631 3536.5400 6242.2270 300.5478 PRESSURE: 2444600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2444600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2444600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2444600 0 0 0 0 0 0 0 0 0 TIMING: 2444600 CPU: 9827.86, 0.0039543/step Wall: 9827.86, 0.0039543/step, 0.0608523 hours remaining, 114.824219 MB of memory in use. ENERGY: 2444600 645.9832 1886.2408 1979.5814 102.0864 1.3594 -1050.7120 0.0000 0.0000 2700.3904 6264.9295 298.2656 3564.5391 6299.1660 300.6852 PRESSURE: 2444800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2444800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2444800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2444800 0 0 0 0 0 0 0 0 0 TIMING: 2444800 CPU: 9828.65, 0.00395/step Wall: 9828.65, 0.00395/step, 0.0605666 hours remaining, 114.824219 MB of memory in use. ENERGY: 2444800 673.5824 1835.9952 1966.3400 113.6011 3.3092 -1078.4028 0.0000 0.0000 2772.4446 6286.8698 306.2242 3514.4251 6322.4033 301.2715 PRESSURE: 2445000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2445000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2445000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2445000 0 0 0 0 0 0 0 0 0 TIMING: 2445000 CPU: 9829.44, 0.00395113/step Wall: 9829.44, 0.00395113/step, 0.0603645 hours remaining, 114.824219 MB of memory in use. ENERGY: 2445000 662.8571 1880.7083 1960.2771 102.2893 2.8156 -1063.9337 0.0000 0.0000 2759.6682 6304.6818 304.8130 3545.0136 6337.8738 303.1640 PRESSURE: 2445200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2445200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2445200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2445200 0 0 0 0 0 0 0 0 0 TIMING: 2445200 CPU: 9830.23, 0.00394358/step Wall: 9830.23, 0.00394358/step, 0.06003 hours remaining, 114.824219 MB of memory in use. ENERGY: 2445200 656.5925 1892.3954 1961.4781 100.7396 3.0481 -1023.4181 0.0000 0.0000 2742.0128 6332.8484 302.8630 3590.8356 6362.0935 303.7121 PRESSURE: 2445400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2445400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2445400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2445400 0 0 0 0 0 0 0 0 0 TIMING: 2445400 CPU: 9831.02, 0.00394969/step Wall: 9831.02, 0.00394969/step, 0.0599037 hours remaining, 114.824219 MB of memory in use. ENERGY: 2445400 638.6553 1873.7013 1973.7014 107.1730 2.0954 -1053.1121 0.0000 0.0000 2728.0988 6270.3131 301.3261 3542.2143 6303.2759 301.9862 PRESSURE: 2445600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2445600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2445600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2445600 0 0 0 0 0 0 0 0 0 TIMING: 2445600 CPU: 9831.81, 0.00394862/step Wall: 9831.81, 0.00394862/step, 0.059668 hours remaining, 114.824219 MB of memory in use. ENERGY: 2445600 629.1721 1845.8384 1953.3949 98.6591 1.9544 -1050.1976 0.0000 0.0000 2746.4141 6225.2353 303.3491 3478.8212 6258.8296 302.7622 PRESSURE: 2445800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2445800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2445800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2445800 0 0 0 0 0 0 0 0 0 TIMING: 2445800 CPU: 9832.6, 0.00394997/step Wall: 9832.6, 0.00394997/step, 0.059469 hours remaining, 114.824219 MB of memory in use. ENERGY: 2445800 627.2035 1841.4713 1968.8964 105.7638 3.3517 -1050.8231 0.0000 0.0000 2703.5242 6199.3878 298.6118 3495.8636 6232.1842 299.5359 PRESSURE: 2446000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2446000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2446000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2446000 0 0 0 0 0 0 0 0 0 TIMING: 2446000 CPU: 9833.39, 0.00394913/step Wall: 9833.39, 0.00394913/step, 0.059237 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2446000 665.1738 1863.0085 1944.2588 115.4153 2.9115 -1062.0695 0.0000 0.0000 2716.7924 6245.4908 300.0773 3528.6984 6275.8671 298.8976 PRESSURE: 2446200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2446200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2446200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2446200 0 0 0 0 0 0 0 0 0 TIMING: 2446200 CPU: 9834.18, 0.0039443/step Wall: 9834.18, 0.0039443/step, 0.0589454 hours remaining, 114.824219 MB of memory in use. ENERGY: 2446200 679.7140 1916.1429 1996.8715 99.3370 2.5006 -1100.0694 0.0000 0.0000 2709.7473 6304.2439 299.2991 3594.4967 6335.3478 301.8456 PRESSURE: 2446400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2446400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2446400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2446400 0 0 0 0 0 0 0 0 0 TIMING: 2446400 CPU: 9834.97, 0.00394942/step Wall: 9834.97, 0.00394942/step, 0.0588024 hours remaining, 114.824219 MB of memory in use. ENERGY: 2446400 683.0272 1885.8463 1977.8351 105.7758 1.2290 -1125.1366 0.0000 0.0000 2724.4605 6253.0372 300.9243 3528.5767 6282.9608 304.5427 PRESSURE: 2446600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2446600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2446600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2446600 0 0 0 0 0 0 0 0 0 TIMING: 2446600 CPU: 9835.76, 0.00394749/step Wall: 9835.76, 0.00394749/step, 0.0585544 hours remaining, 114.824219 MB of memory in use. ENERGY: 2446600 662.5764 1895.8992 1955.0049 99.1558 2.3130 -1092.1271 0.0000 0.0000 2679.8797 6202.7020 296.0002 3522.8222 6232.3313 301.0517 PRESSURE: 2446800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2446800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2446800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2446800 0 0 0 0 0 0 0 0 0 TIMING: 2446800 CPU: 9836.55, 0.00394588/step Wall: 9836.55, 0.00394588/step, 0.0583113 hours remaining, 114.824219 MB of memory in use. ENERGY: 2446800 673.6006 1814.8112 1979.0021 102.5335 2.4613 -1079.3026 0.0000 0.0000 2772.4433 6265.5495 306.2241 3493.1061 6298.0493 301.0748 PRESSURE: 2447000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2447000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2447000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2447000 0 0 0 0 0 0 0 0 0 TIMING: 2447000 CPU: 9837.34, 0.00394562/step Wall: 9837.34, 0.00394562/step, 0.0580882 hours remaining, 114.824219 MB of memory in use. ENERGY: 2447000 637.7061 1862.7310 1956.9687 107.9010 3.6191 -1066.8164 0.0000 0.0000 2698.1580 6200.2675 298.0191 3502.1095 6231.1170 299.7299 PRESSURE: 2447200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2447200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2447200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2447200 0 0 0 0 0 0 0 0 0 TIMING: 2447200 CPU: 9838.13, 0.00394171/step Wall: 9838.13, 0.00394171/step, 0.0578117 hours remaining, 114.824219 MB of memory in use. ENERGY: 2447200 678.2955 1846.9984 1963.9456 104.3775 1.7183 -1079.7063 0.0000 0.0000 2638.3606 6153.9897 291.4143 3515.6291 6186.2054 297.1861 PRESSURE: 2447400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2447400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2447400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2447400 0 0 0 0 0 0 0 0 0 TIMING: 2447400 CPU: 9838.92, 0.00394706/step Wall: 9838.92, 0.00394706/step, 0.0576709 hours remaining, 114.824219 MB of memory in use. ENERGY: 2447400 662.4457 1852.7872 1977.7456 107.4289 1.9125 -1118.6046 0.0000 0.0000 2673.5476 6157.2627 295.3008 3483.7152 6188.1288 295.7568 PRESSURE: 2447600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2447600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2447600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2447600 0 0 0 0 0 0 0 0 0 TIMING: 2447600 CPU: 9839.71, 0.00394712/step Wall: 9839.71, 0.00394712/step, 0.0574525 hours remaining, 114.824219 MB of memory in use. ENERGY: 2447600 667.3398 1777.7685 1971.2955 115.4519 2.2598 -1074.7252 0.0000 0.0000 2716.0263 6175.4166 299.9927 3459.3903 6208.8473 295.5237 PRESSURE: 2447800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2447800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2447800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2447800 0 0 0 0 0 0 0 0 0 TIMING: 2447800 CPU: 9840.5, 0.00394675/step Wall: 9840.5, 0.00394675/step, 0.0572279 hours remaining, 114.824219 MB of memory in use. ENERGY: 2447800 640.4403 1829.3838 1951.5034 106.1136 3.3201 -1040.2992 0.0000 0.0000 2679.6972 6170.1591 295.9800 3490.4620 6202.0799 298.9227 PRESSURE: 2448000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2448000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2448000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2448000 0 0 0 0 0 0 0 0 0 TIMING: 2448000 CPU: 9841.29, 0.00394644/step Wall: 9841.29, 0.00394645/step, 0.0570043 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2448000 619.8883 1887.6511 1965.1497 112.8807 3.6065 -1046.3793 0.0000 0.0000 2688.5204 6231.3174 296.9546 3542.7970 6265.9989 299.1011 PRESSURE: 2448200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2448200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2448200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2448200 0 0 0 0 0 0 0 0 0 TIMING: 2448200 CPU: 9842.07, 0.00394853/step Wall: 9842.07, 0.00394853/step, 0.0568149 hours remaining, 114.824219 MB of memory in use. ENERGY: 2448200 660.7668 1837.0478 1934.5668 100.9349 2.5168 -1037.2733 0.0000 0.0000 2726.5821 6225.1419 301.1586 3498.5599 6258.8216 300.9844 LDB: ============= START OF LOAD BALANCING ============== 9845.03 LDB: ============== END OF LOAD BALANCING =============== 9845.03 LDB: =============== DONE WITH MIGRATION ================ 9845.03 LDB: ============= START OF LOAD BALANCING ============== 9845.43 LDB: ============== END OF LOAD BALANCING =============== 9845.43 LDB: =============== DONE WITH MIGRATION ================ 9845.43 PRESSURE: 2448400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2448400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2448400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2448400 0 0 0 0 0 0 0 0 0 TIMING: 2448400 CPU: 9842.87, 0.00395404/step Wall: 9842.87, 0.00395404/step, 0.0566745 hours remaining, 114.824219 MB of memory in use. ENERGY: 2448400 600.3204 1869.0790 1949.2087 110.8444 2.8553 -1085.3332 0.0000 0.0000 2751.0436 6198.0183 303.8604 3446.9747 6233.1622 299.4318 PRESSURE: 2448600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2448600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2448600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2448600 0 0 0 0 0 0 0 0 0 TIMING: 2448600 CPU: 9843.66, 0.00394977/step Wall: 9843.66, 0.00394977/step, 0.0563939 hours remaining, 114.824219 MB of memory in use. ENERGY: 2448600 650.4767 1867.7879 1930.2843 106.8155 1.8857 -1066.8653 0.0000 0.0000 2703.3259 6193.7107 298.5899 3490.3848 6228.2090 299.4127 PRESSURE: 2448800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2448800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2448800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2448800 0 0 0 0 0 0 0 0 0 TIMING: 2448800 CPU: 9844.45, 0.00394871/step Wall: 9844.45, 0.00394871/step, 0.0561594 hours remaining, 114.824219 MB of memory in use. ENERGY: 2448800 640.5751 1836.8909 1943.1549 110.7576 1.9130 -1041.0797 0.0000 0.0000 2711.4783 6203.6900 299.4903 3492.2117 6238.8606 298.7263 PRESSURE: 2449000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2449000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2449000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2449000 0 0 0 0 0 0 0 0 0 TIMING: 2449000 CPU: 9845.23, 0.00394652/step Wall: 9845.23, 0.00394652/step, 0.0559091 hours remaining, 114.824219 MB of memory in use. ENERGY: 2449000 663.4642 1874.6997 1920.4203 123.3234 0.7434 -1061.3378 0.0000 0.0000 2663.4537 6184.7668 294.1859 3521.3131 6215.6562 298.3666 PRESSURE: 2449200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2449200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2449200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2449200 0 0 0 0 0 0 0 0 0 TIMING: 2449200 CPU: 9846.02, 0.00394873/step Wall: 9846.02, 0.00394873/step, 0.055721 hours remaining, 114.824219 MB of memory in use. ENERGY: 2449200 679.8850 1845.5504 1947.1607 99.8650 3.4297 -1080.0178 0.0000 0.0000 2692.5477 6188.4207 297.3994 3495.8730 6220.7468 297.3538 PRESSURE: 2449400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2449400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2449400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2449400 0 0 0 0 0 0 0 0 0 TIMING: 2449400 CPU: 9846.81, 0.00394678/step Wall: 9846.81, 0.00394678/step, 0.0554742 hours remaining, 114.824219 MB of memory in use. ENERGY: 2449400 661.2688 1794.0404 1956.4388 104.6072 2.4625 -1044.9945 0.0000 0.0000 2729.5385 6203.3618 301.4851 3473.8233 6236.8824 298.0880 PRESSURE: 2449600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2449600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2449600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2449600 0 0 0 0 0 0 0 0 0 TIMING: 2449600 CPU: 9847.6, 0.00394919/step Wall: 9847.6, 0.00394919/step, 0.0552887 hours remaining, 114.824219 MB of memory in use. ENERGY: 2449600 662.3666 1839.8450 1922.5355 103.5921 1.5305 -1025.4226 0.0000 0.0000 2722.1699 6226.6170 300.6712 3504.4471 6258.9638 299.1286 PRESSURE: 2449800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2449800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2449800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2449800 0 0 0 0 0 0 0 0 0 TIMING: 2449800 CPU: 9848.39, 0.00394786/step Wall: 9848.39, 0.00394786/step, 0.0550506 hours remaining, 114.824219 MB of memory in use. ENERGY: 2449800 656.8706 1858.3749 1961.9582 96.2180 2.0643 -1049.0478 0.0000 0.0000 2669.2753 6195.7135 294.8289 3526.4382 6225.5026 299.2397 PRESSURE: 2450000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2450000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2450000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2450000 0 0 0 0 0 0 0 0 0 TIMING: 2450000 CPU: 9849.18, 0.00394475/step Wall: 9849.18, 0.00394475/step, 0.0547881 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2450000 687.6869 1809.0844 1971.2991 106.6744 1.3576 -1067.0887 0.0000 0.0000 2690.1930 6199.2067 297.1393 3509.0137 6231.1069 298.5107 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2450000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2450000 WRITING COORDINATES TO RESTART FILE AT STEP 2450000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2450000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2450200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2450200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2450200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2450200 0 0 0 0 0 0 0 0 0 TIMING: 2450200 CPU: 9850.01, 0.00415394/step Wall: 9850.01, 0.00415393/step, 0.0574628 hours remaining, 114.824219 MB of memory in use. ENERGY: 2450200 661.4459 1816.9351 1962.5434 102.8995 2.4377 -1073.3836 0.0000 0.0000 2707.5890 6180.4670 299.0607 3472.8780 6214.2658 298.3939 PRESSURE: 2450400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2450400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2450400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2450400 0 0 0 0 0 0 0 0 0 TIMING: 2450400 CPU: 9850.8, 0.00394925/step Wall: 9850.8, 0.00394925/step, 0.0544119 hours remaining, 114.824219 MB of memory in use. ENERGY: 2450400 686.2248 1775.0817 1973.3791 113.9191 0.1942 -1061.8202 0.0000 0.0000 2739.8712 6226.8499 302.6264 3486.9787 6259.6295 299.1850 PRESSURE: 2450600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2450600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2450600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2450600 0 0 0 0 0 0 0 0 0 TIMING: 2450600 CPU: 9851.59, 0.00394942/step Wall: 9851.59, 0.00394942/step, 0.0541948 hours remaining, 114.824219 MB of memory in use. ENERGY: 2450600 664.9055 1893.3859 1973.2864 105.9659 0.8427 -1056.0223 0.0000 0.0000 2643.1229 6225.4870 291.9403 3582.3642 6257.4899 299.7775 PRESSURE: 2450800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2450800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2450800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2450800 0 0 0 0 0 0 0 0 0 TIMING: 2450800 CPU: 9852.38, 0.00395054/step Wall: 9852.38, 0.00395054/step, 0.0539908 hours remaining, 114.824219 MB of memory in use. ENERGY: 2450800 657.8462 1849.8718 1992.4961 109.2377 2.5459 -1066.9960 0.0000 0.0000 2689.2445 6234.2461 297.0345 3545.0015 6264.9448 299.5387 PRESSURE: 2451000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2451000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2451000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2451000 0 0 0 0 0 0 0 0 0 TIMING: 2451000 CPU: 9853.17, 0.00394724/step Wall: 9853.17, 0.00394724/step, 0.0537263 hours remaining, 114.824219 MB of memory in use. ENERGY: 2451000 669.6284 1843.5867 1984.7480 110.0602 2.4175 -1088.3300 0.0000 0.0000 2725.9139 6248.0247 301.0848 3522.1107 6284.0900 301.2281 PRESSURE: 2451200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2451200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2451200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2451200 0 0 0 0 0 0 0 0 0 TIMING: 2451200 CPU: 9853.96, 0.00395056/step Wall: 9853.96, 0.00395056/step, 0.053552 hours remaining, 114.824219 MB of memory in use. ENERGY: 2451200 649.2280 1915.0082 1932.9620 99.1401 1.9334 -1054.5584 0.0000 0.0000 2687.1668 6230.8801 296.8051 3543.7134 6264.9276 301.5629 PRESSURE: 2451400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2451400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2451400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2451400 0 0 0 0 0 0 0 0 0 TIMING: 2451400 CPU: 9854.75, 0.0039518/step Wall: 9854.75, 0.0039518/step, 0.0533494 hours remaining, 114.824219 MB of memory in use. ENERGY: 2451400 642.4201 1862.7482 1966.1684 101.3754 2.7573 -1065.5205 0.0000 0.0000 2715.0780 6225.0270 299.8879 3509.9490 6258.7095 299.7162 PRESSURE: 2451600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2451600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2451600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2451600 0 0 0 0 0 0 0 0 0 TIMING: 2451600 CPU: 9855.54, 0.00395064/step Wall: 9855.54, 0.00395064/step, 0.0531142 hours remaining, 114.824219 MB of memory in use. ENERGY: 2451600 654.5693 1855.3716 1968.7665 100.3737 2.7239 -1127.9036 0.0000 0.0000 2692.0674 6145.9688 297.3463 3453.9014 6179.9693 297.2830 PRESSURE: 2451800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2451800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2451800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2451800 0 0 0 0 0 0 0 0 0 TIMING: 2451800 CPU: 9856.33, 0.00394706/step Wall: 9856.33, 0.00394706/step, 0.0528468 hours remaining, 114.824219 MB of memory in use. ENERGY: 2451800 656.9460 1859.6969 1975.5767 123.4101 2.5123 -1102.1219 0.0000 0.0000 2715.8018 6231.8219 299.9679 3516.0200 6264.9792 299.7071 PRESSURE: 2452000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2452000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2452000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2452000 0 0 0 0 0 0 0 0 0 TIMING: 2452000 CPU: 9857.12, 0.00395117/step Wall: 9857.12, 0.00395117/step, 0.0526822 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2452000 649.6176 1888.4053 1930.3469 107.4172 2.2700 -1086.7194 0.0000 0.0000 2691.3619 6182.6995 297.2684 3491.3376 6213.6943 299.6258 PRESSURE: 2452200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2452200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2452200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2452200 0 0 0 0 0 0 0 0 0 TIMING: 2452200 CPU: 9857.91, 0.00395008/step Wall: 9857.91, 0.00395008/step, 0.0524483 hours remaining, 114.824219 MB of memory in use. ENERGY: 2452200 662.2097 1843.6252 1979.8297 111.3931 2.1393 -1105.8234 0.0000 0.0000 2698.8166 6192.1902 298.0918 3493.3736 6226.8127 298.2755 LDB: ============= START OF LOAD BALANCING ============== 9860.87 LDB: ============== END OF LOAD BALANCING =============== 9860.87 LDB: =============== DONE WITH MIGRATION ================ 9860.87 LDB: ============= START OF LOAD BALANCING ============== 9861.27 LDB: ============== END OF LOAD BALANCING =============== 9861.27 LDB: =============== DONE WITH MIGRATION ================ 9861.27 PRESSURE: 2452400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2452400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2452400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2452400 0 0 0 0 0 0 0 0 0 TIMING: 2452400 CPU: 9858.7, 0.00395877/step Wall: 9858.7, 0.00395877/step, 0.0523437 hours remaining, 114.824219 MB of memory in use. ENERGY: 2452400 664.2432 1845.4483 1943.3550 102.0380 0.9097 -1092.4101 0.0000 0.0000 2740.0834 6203.6675 302.6498 3463.5841 6239.8958 299.7593 PRESSURE: 2452600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2452600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2452600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2452600 0 0 0 0 0 0 0 0 0 TIMING: 2452600 CPU: 9859.49, 0.0039485/step Wall: 9859.49, 0.0039485/step, 0.0519886 hours remaining, 114.824219 MB of memory in use. ENERGY: 2452600 639.9597 1821.9755 1941.8379 105.7277 2.5989 -1051.8061 0.0000 0.0000 2708.3395 6168.6331 299.1436 3460.2937 6204.3453 298.1319 PRESSURE: 2452800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2452800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2452800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2452800 0 0 0 0 0 0 0 0 0 TIMING: 2452800 CPU: 9860.28, 0.00394545/step Wall: 9860.28, 0.00394545/step, 0.0517293 hours remaining, 114.824219 MB of memory in use. ENERGY: 2452800 649.4729 1894.3002 1953.2311 113.3686 1.4745 -1106.8653 0.0000 0.0000 2709.3513 6214.3332 299.2554 3504.9819 6247.0154 299.2302 PRESSURE: 2453000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2453000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2453000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2453000 0 0 0 0 0 0 0 0 0 TIMING: 2453000 CPU: 9861.07, 0.00394897/step Wall: 9861.07, 0.00394897/step, 0.051556 hours remaining, 114.824219 MB of memory in use. ENERGY: 2453000 666.6670 1862.8900 1940.8592 105.5286 2.1699 -1078.4967 0.0000 0.0000 2704.6710 6204.2890 298.7384 3499.6179 6238.3897 299.3028 PRESSURE: 2453200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2453200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2453200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2453200 0 0 0 0 0 0 0 0 0 TIMING: 2453200 CPU: 9861.86, 0.00394738/step Wall: 9861.86, 0.00394738/step, 0.051316 hours remaining, 114.824219 MB of memory in use. ENERGY: 2453200 683.4008 1880.3510 1937.1583 103.7875 3.5142 -1067.9208 0.0000 0.0000 2648.9189 6189.2099 292.5805 3540.2910 6220.3939 296.8486 PRESSURE: 2453400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2453400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2453400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2453400 0 0 0 0 0 0 0 0 0 TIMING: 2453400 CPU: 9862.65, 0.00394821/step Wall: 9862.65, 0.00394821/step, 0.0511074 hours remaining, 114.824219 MB of memory in use. ENERGY: 2453400 662.3545 1877.8307 1959.6521 93.0928 1.6777 -1063.6156 0.0000 0.0000 2721.8298 6252.8221 300.6337 3530.9923 6285.7049 298.7772 PRESSURE: 2453600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2453600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2453600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2453600 0 0 0 0 0 0 0 0 0 TIMING: 2453600 CPU: 9863.44, 0.00394906/step Wall: 9863.44, 0.00394906/step, 0.0508989 hours remaining, 114.824219 MB of memory in use. ENERGY: 2453600 679.0772 1896.6642 1980.0979 109.6175 0.6518 -1077.5360 0.0000 0.0000 2707.3776 6295.9501 299.0374 3588.5726 6328.4913 302.6753 PRESSURE: 2453800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2453800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2453800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2453800 0 0 0 0 0 0 0 0 0 TIMING: 2453800 CPU: 9864.23, 0.0039465/step Wall: 9864.23, 0.0039465/step, 0.0506468 hours remaining, 114.824219 MB of memory in use. ENERGY: 2453800 648.4951 1882.0677 1982.8539 114.7428 2.3461 -1060.7225 0.0000 0.0000 2746.3435 6316.1265 303.3413 3569.7830 6350.2628 302.1129 PRESSURE: 2454000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2454000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2454000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2454000 0 0 0 0 0 0 0 0 0 TIMING: 2454000 CPU: 9865.02, 0.00394924/step Wall: 9865.02, 0.00394924/step, 0.0504625 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2454000 670.8098 1861.9856 1939.7500 105.5457 3.0407 -1049.0123 0.0000 0.0000 2782.4691 6314.5887 307.3315 3532.1195 6346.0301 303.7784 PRESSURE: 2454200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2454200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2454200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2454200 0 0 0 0 0 0 0 0 0 TIMING: 2454200 CPU: 9865.81, 0.0039488/step Wall: 9865.81, 0.0039488/step, 0.0502375 hours remaining, 114.824219 MB of memory in use. ENERGY: 2454200 627.2443 1857.0579 1953.2803 117.5277 0.2595 -1057.8754 0.0000 0.0000 2780.7485 6278.2427 307.1414 3497.4942 6315.0322 304.1527 PRESSURE: 2454400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2454400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2454400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2454400 0 0 0 0 0 0 0 0 0 TIMING: 2454400 CPU: 9866.6, 0.00394758/step Wall: 9866.6, 0.00394758/step, 0.0500027 hours remaining, 114.824219 MB of memory in use. ENERGY: 2454400 674.5965 1909.1366 1953.7667 111.3212 2.7145 -1080.1515 0.0000 0.0000 2716.2492 6287.6331 300.0173 3571.3840 6320.8789 304.9240 PRESSURE: 2454600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2454600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2454600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2454600 0 0 0 0 0 0 0 0 0 TIMING: 2454600 CPU: 9867.39, 0.00394918/step Wall: 9867.39, 0.00394918/step, 0.0498036 hours remaining, 114.824219 MB of memory in use. ENERGY: 2454600 676.3639 1849.7150 1918.3593 103.9225 1.5419 -1075.9378 0.0000 0.0000 2798.3733 6272.3380 309.0881 3473.9647 6308.4779 303.2503 PRESSURE: 2454800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2454800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2454800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2454800 0 0 0 0 0 0 0 0 0 TIMING: 2454800 CPU: 9868.18, 0.0039456/step Wall: 9868.18, 0.0039456/step, 0.0495393 hours remaining, 114.824219 MB of memory in use. ENERGY: 2454800 660.8309 1922.6324 1941.4277 124.5863 2.2912 -1049.9231 0.0000 0.0000 2647.0691 6248.9144 292.3762 3601.8453 6279.1865 302.1360 PRESSURE: 2455000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2455000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2455000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2455000 0 0 0 0 0 0 0 0 0 TIMING: 2455000 CPU: 9868.97, 0.00394624/step Wall: 9868.97, 0.00394624/step, 0.049328 hours remaining, 114.824219 MB of memory in use. ENERGY: 2455000 632.4438 1828.6937 1950.7297 111.7393 1.5697 -1060.7187 0.0000 0.0000 2691.4386 6155.8960 297.2769 3464.4574 6189.2161 297.6822 PRESSURE: 2455200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2455200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2455200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2455200 0 0 0 0 0 0 0 0 0 TIMING: 2455200 CPU: 9869.76, 0.00394852/step Wall: 9869.76, 0.00394852/step, 0.0491371 hours remaining, 114.824219 MB of memory in use. ENERGY: 2455200 661.8257 1833.4659 1938.5544 111.3687 3.5105 -1041.7128 0.0000 0.0000 2691.3348 6198.3472 297.2654 3507.0125 6231.7781 298.6308 PRESSURE: 2455400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2455400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2455400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2455400 0 0 0 0 0 0 0 0 0 TIMING: 2455400 CPU: 9870.55, 0.00394755/step Wall: 9870.55, 0.00394755/step, 0.0489058 hours remaining, 114.824219 MB of memory in use. ENERGY: 2455400 648.3060 1835.3160 1979.8002 111.5614 2.3991 -1068.6813 0.0000 0.0000 2721.5757 6230.2772 300.6056 3508.7015 6264.0915 299.2749 PRESSURE: 2455600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2455600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2455600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2455600 0 0 0 0 0 0 0 0 0 TIMING: 2455600 CPU: 9871.34, 0.0039474/step Wall: 9871.34, 0.0039474/step, 0.0486846 hours remaining, 114.824219 MB of memory in use. ENERGY: 2455600 642.8099 1865.0236 1972.9703 113.0378 2.5871 -1080.4038 0.0000 0.0000 2708.5411 6224.5659 299.1659 3516.0248 6257.2098 299.4963 PRESSURE: 2455800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2455800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2455800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2455800 0 0 0 0 0 0 0 0 0 TIMING: 2455800 CPU: 9872.13, 0.00394903/step Wall: 9872.13, 0.00394903/step, 0.0484853 hours remaining, 114.824219 MB of memory in use. ENERGY: 2455800 653.0169 1895.2762 1952.9346 107.8891 4.3183 -1038.5381 0.0000 0.0000 2633.0437 6207.9407 290.8270 3574.8970 6235.1211 299.7974 PRESSURE: 2456000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2456000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2456000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2456000 0 0 0 0 0 0 0 0 0 TIMING: 2456000 CPU: 9872.92, 0.00394924/step Wall: 9872.92, 0.00394924/step, 0.0482685 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2456000 637.8562 1880.6919 1987.1092 102.4296 2.3005 -1064.5277 0.0000 0.0000 2668.1733 6214.0330 294.7072 3545.8597 6245.2456 298.6004 PRESSURE: 2456200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2456200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2456200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2456200 0 0 0 0 0 0 0 0 0 TIMING: 2456200 CPU: 9873.71, 0.00395056/step Wall: 9873.71, 0.00395056/step, 0.0480651 hours remaining, 114.824219 MB of memory in use. ENERGY: 2456200 715.4284 1820.9746 1977.2401 113.9363 0.7651 -1092.2091 0.0000 0.0000 2702.5869 6238.7223 298.5083 3536.1353 6271.4387 299.5134 LDB: ============= START OF LOAD BALANCING ============== 9876.67 LDB: ============== END OF LOAD BALANCING =============== 9876.67 LDB: =============== DONE WITH MIGRATION ================ 9876.67 LDB: ============= START OF LOAD BALANCING ============== 9877.06 LDB: ============== END OF LOAD BALANCING =============== 9877.06 LDB: =============== DONE WITH MIGRATION ================ 9877.06 PRESSURE: 2456400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2456400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2456400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2456400 0 0 0 0 0 0 0 0 0 TIMING: 2456400 CPU: 9874.5, 0.00395423/step Wall: 9874.5, 0.00395423/step, 0.0478901 hours remaining, 114.824219 MB of memory in use. ENERGY: 2456400 647.6002 1835.8352 1967.2793 114.6714 0.6878 -1086.0412 0.0000 0.0000 2680.0866 6160.1192 296.0230 3480.0326 6193.2747 297.9899 PRESSURE: 2456600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2456600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2456600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2456600 0 0 0 0 0 0 0 0 0 TIMING: 2456600 CPU: 9875.29, 0.00394792/step Wall: 9875.29, 0.00394792/step, 0.0475944 hours remaining, 114.824219 MB of memory in use. ENERGY: 2456600 661.2887 1893.2526 1944.7512 99.0857 1.3438 -1107.8634 0.0000 0.0000 2670.4615 6162.3202 294.9599 3491.8587 6194.2802 295.4104 PRESSURE: 2456800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2456800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2456800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2456800 0 0 0 0 0 0 0 0 0 TIMING: 2456800 CPU: 9876.08, 0.0039499/step Wall: 9876.08, 0.0039499/step, 0.0473989 hours remaining, 114.824219 MB of memory in use. ENERGY: 2456800 647.2809 1843.4784 1953.1196 103.6489 2.9665 -1105.7145 0.0000 0.0000 2686.3180 6131.0978 296.7113 3444.7799 6164.7466 297.3407 PRESSURE: 2457000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2457000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2457000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2457000 0 0 0 0 0 0 0 0 0 TIMING: 2457000 CPU: 9876.87, 0.00395164/step Wall: 9876.87, 0.00395164/step, 0.0472001 hours remaining, 114.824219 MB of memory in use. ENERGY: 2457000 685.7097 1824.4566 1948.8499 111.3643 1.1994 -1066.5160 0.0000 0.0000 2668.9344 6173.9982 294.7912 3505.0638 6206.4396 296.1127 PRESSURE: 2457200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2457200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2457200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2457200 0 0 0 0 0 0 0 0 0 TIMING: 2457200 CPU: 9877.66, 0.00394989/step Wall: 9877.66, 0.00394989/step, 0.0469599 hours remaining, 114.824219 MB of memory in use. ENERGY: 2457200 656.1771 1838.1266 1955.2865 100.7933 2.3895 -1099.3734 0.0000 0.0000 2688.3925 6141.7920 296.9404 3453.3996 6171.2173 296.4414 PRESSURE: 2457400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2457400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2457400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2457400 0 0 0 0 0 0 0 0 0 TIMING: 2457400 CPU: 9878.45, 0.00395144/step Wall: 9878.45, 0.00395144/step, 0.0467586 hours remaining, 114.824219 MB of memory in use. ENERGY: 2457400 653.1179 1865.6410 1952.5983 109.7700 2.0916 -1098.7837 0.0000 0.0000 2720.1894 6204.6245 300.4525 3484.4352 6237.3188 296.6776 PRESSURE: 2457600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2457600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2457600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2457600 0 0 0 0 0 0 0 0 0 TIMING: 2457600 CPU: 9879.24, 0.00394777/step Wall: 9879.24, 0.00394777/step, 0.046496 hours remaining, 114.824219 MB of memory in use. ENERGY: 2457600 645.7638 1765.0152 1961.4120 107.0027 0.7132 -1054.1619 0.0000 0.0000 2755.9146 6181.6596 304.3984 3425.7450 6215.5969 299.3757 PRESSURE: 2457800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2457800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2457800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2457800 0 0 0 0 0 0 0 0 0 TIMING: 2457800 CPU: 9880.03, 0.00395004/step Wall: 9880.03, 0.00395004/step, 0.0463032 hours remaining, 114.824219 MB of memory in use. ENERGY: 2457800 657.0143 1831.0459 1978.5602 105.2785 1.5784 -1067.0757 0.0000 0.0000 2708.1158 6214.5174 299.1189 3506.4016 6245.6436 298.3899 PRESSURE: 2458000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2458000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2458000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2458000 0 0 0 0 0 0 0 0 0 TIMING: 2458000 CPU: 9880.82, 0.0039511/step Wall: 9880.82, 0.0039511/step, 0.0460962 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2458000 673.2226 1831.1464 1976.0878 104.3326 1.8121 -1080.7639 0.0000 0.0000 2707.1088 6212.9463 299.0077 3505.8375 6245.4734 298.4931 PRESSURE: 2458200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2458200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2458200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2458200 0 0 0 0 0 0 0 0 0 TIMING: 2458200 CPU: 9881.61, 0.00394945/step Wall: 9881.61, 0.00394945/step, 0.0458575 hours remaining, 114.824219 MB of memory in use. ENERGY: 2458200 649.9741 1818.9691 1947.8427 97.4075 2.2821 -1078.3310 0.0000 0.0000 2774.6603 6212.8047 306.4690 3438.1444 6246.7945 299.5338 PRESSURE: 2458400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2458400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2458400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2458400 0 0 0 0 0 0 0 0 0 TIMING: 2458400 CPU: 9882.4, 0.00394936/step Wall: 9882.4, 0.00394936/step, 0.045637 hours remaining, 114.824219 MB of memory in use. ENERGY: 2458400 669.7411 1856.8210 1956.2646 113.9134 1.9864 -1073.5762 0.0000 0.0000 2732.1733 6257.3237 301.7761 3525.1504 6292.2304 300.4328 PRESSURE: 2458600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2458600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2458600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2458600 0 0 0 0 0 0 0 0 0 TIMING: 2458600 CPU: 9883.19, 0.00394744/step Wall: 9883.19, 0.00394744/step, 0.0453956 hours remaining, 114.824219 MB of memory in use. ENERGY: 2458600 649.1333 1855.1131 1986.2152 106.0763 2.7326 -1092.9394 0.0000 0.0000 2714.4945 6220.8255 299.8235 3506.3310 6252.3501 299.1361 PRESSURE: 2458800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2458800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2458800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2458800 0 0 0 0 0 0 0 0 0 TIMING: 2458800 CPU: 9883.98, 0.00395071/step Wall: 9883.98, 0.00395071/step, 0.0452137 hours remaining, 114.824219 MB of memory in use. ENERGY: 2458800 671.7199 1895.9870 1953.5538 111.6149 1.9395 -1008.2874 0.0000 0.0000 2634.8548 6261.3826 291.0271 3626.5278 6288.7430 299.1156 PRESSURE: 2459000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2459000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2459000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2459000 0 0 0 0 0 0 0 0 0 TIMING: 2459000 CPU: 9884.77, 0.00395074/step Wall: 9884.77, 0.00395074/step, 0.0449945 hours remaining, 114.824219 MB of memory in use. ENERGY: 2459000 692.4056 1824.2699 1965.7624 106.0822 1.7421 -1053.1266 0.0000 0.0000 2753.9284 6291.0640 304.1791 3537.1357 6327.0145 300.1652 PRESSURE: 2459200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2459200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2459200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2459200 0 0 0 0 0 0 0 0 0 TIMING: 2459200 CPU: 9885.56, 0.00395005/step Wall: 9885.56, 0.00395005/step, 0.0447673 hours remaining, 114.824219 MB of memory in use. ENERGY: 2459200 673.4856 1853.2571 1979.5281 119.7921 -0.0709 -1036.7442 0.0000 0.0000 2705.5469 6294.7946 298.8352 3589.2477 6327.9349 303.0629 PRESSURE: 2459400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2459400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2459400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2459400 0 0 0 0 0 0 0 0 0 TIMING: 2459400 CPU: 9886.35, 0.00394556/step Wall: 9886.35, 0.00394556/step, 0.0444971 hours remaining, 114.824219 MB of memory in use. ENERGY: 2459400 654.1733 1859.9608 1990.7900 114.5893 1.9785 -999.5010 0.0000 0.0000 2709.6928 6331.6837 299.2931 3621.9909 6364.8410 305.0154 PRESSURE: 2459600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2459600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2459600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2459600 0 0 0 0 0 0 0 0 0 TIMING: 2459600 CPU: 9887.14, 0.00396171/step Wall: 9887.14, 0.00396171/step, 0.0444592 hours remaining, 114.824219 MB of memory in use. ENERGY: 2459600 691.9455 1849.1120 1984.2608 109.6979 2.5634 -1060.7204 0.0000 0.0000 2760.7018 6337.5609 304.9272 3576.8592 6370.2261 304.3810 PRESSURE: 2459800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2459800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2459800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2459800 0 0 0 0 0 0 0 0 0 TIMING: 2459800 CPU: 9887.93, 0.00395291/step Wall: 9887.93, 0.00395291/step, 0.0441408 hours remaining, 114.824219 MB of memory in use. ENERGY: 2459800 635.3138 1898.0445 1959.0112 120.3005 0.9366 -1012.7056 0.0000 0.0000 2724.7491 6325.6499 300.9561 3600.9009 6359.6195 303.9997 PRESSURE: 2460000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2460000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2460000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2460000 0 0 0 0 0 0 0 0 0 TIMING: 2460000 CPU: 9888.72, 0.00395109/step Wall: 9888.72, 0.00395109/step, 0.043901 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2460000 640.1720 1915.2402 1995.3528 116.3556 0.7601 -1060.2726 0.0000 0.0000 2717.8982 6325.5063 300.1994 3607.6081 6357.0927 303.3126 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2460000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2460000 WRITING COORDINATES TO RESTART FILE AT STEP 2460000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2460000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2460200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2460200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2460200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2460200 0 0 0 0 0 0 0 0 0 TIMING: 2460200 CPU: 9889.54, 0.0041115/step Wall: 9889.54, 0.0041115/step, 0.0454549 hours remaining, 114.824219 MB of memory in use. ENERGY: 2460200 649.3873 1867.5414 1995.7698 94.8888 1.7055 -1058.9800 0.0000 0.0000 2758.7077 6309.0203 304.7069 3550.3127 6340.9508 304.1996 LDB: ============= START OF LOAD BALANCING ============== 9892.5 LDB: ============== END OF LOAD BALANCING =============== 9892.5 LDB: =============== DONE WITH MIGRATION ================ 9892.5 LDB: ============= START OF LOAD BALANCING ============== 9892.9 LDB: ============== END OF LOAD BALANCING =============== 9892.9 LDB: =============== DONE WITH MIGRATION ================ 9892.9 PRESSURE: 2460400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2460400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2460400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2460400 0 0 0 0 0 0 0 0 0 TIMING: 2460400 CPU: 9890.33, 0.00394994/step Wall: 9890.33, 0.00394994/step, 0.0434494 hours remaining, 114.824219 MB of memory in use. ENERGY: 2460400 671.4475 1886.6391 1974.0244 103.6337 1.8958 -1042.0035 0.0000 0.0000 2682.5750 6278.2120 296.2979 3595.6370 6312.4881 303.7272 PRESSURE: 2460600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2460600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2460600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2460600 0 0 0 0 0 0 0 0 0 TIMING: 2460600 CPU: 9891.12, 0.00395126/step Wall: 9891.12, 0.00395126/step, 0.0432443 hours remaining, 114.824219 MB of memory in use. ENERGY: 2460600 654.8437 1872.7767 1944.9652 90.1767 1.3367 -1079.9977 0.0000 0.0000 2744.2916 6228.3928 303.1146 3484.1013 6260.0522 302.4774 PRESSURE: 2460800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2460800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2460800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2460800 0 0 0 0 0 0 0 0 0 TIMING: 2460800 CPU: 9891.91, 0.00394936/step Wall: 9891.91, 0.00394936/step, 0.0430041 hours remaining, 114.824219 MB of memory in use. ENERGY: 2460800 622.1162 1842.6567 1984.4221 96.4148 1.2720 -1058.0160 0.0000 0.0000 2743.6485 6232.5144 303.0436 3488.8659 6265.7940 301.4332 PRESSURE: 2461000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2461000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2461000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2461000 0 0 0 0 0 0 0 0 0 TIMING: 2461000 CPU: 9892.7, 0.00394962/step Wall: 9892.7, 0.00394962/step, 0.0427875 hours remaining, 114.824219 MB of memory in use. ENERGY: 2461000 678.4020 1845.6327 1980.9749 121.9541 2.2659 -1052.4054 0.0000 0.0000 2712.2095 6289.0337 299.5711 3576.8241 6323.1973 301.1715 PRESSURE: 2461200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2461200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2461200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2461200 0 0 0 0 0 0 0 0 0 TIMING: 2461200 CPU: 9893.49, 0.00395175/step Wall: 9893.49, 0.00395175/step, 0.042591 hours remaining, 114.824219 MB of memory in use. ENERGY: 2461200 653.8832 1847.3280 1978.0185 95.5116 1.4999 -1049.2478 0.0000 0.0000 2750.6167 6277.6100 303.8133 3526.9933 6309.5929 303.0078 PRESSURE: 2461400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2461400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2461400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2461400 0 0 0 0 0 0 0 0 0 TIMING: 2461400 CPU: 9894.28, 0.00394433/step Wall: 9894.28, 0.00394433/step, 0.042292 hours remaining, 114.824219 MB of memory in use. ENERGY: 2461400 664.7038 1866.3568 1992.2734 118.1264 1.1986 -1062.1069 0.0000 0.0000 2755.2485 6335.8007 304.3249 3580.5522 6367.6415 303.4724 PRESSURE: 2461600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2461600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2461600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2461600 0 0 0 0 0 0 0 0 0 TIMING: 2461600 CPU: 9895.07, 0.00395104/step Wall: 9895.07, 0.00395104/step, 0.0421444 hours remaining, 114.824219 MB of memory in use. ENERGY: 2461600 620.9677 1888.3728 1987.6438 113.3112 2.5631 -1064.3750 0.0000 0.0000 2755.5518 6304.0356 304.3584 3548.4838 6336.0398 305.4026 PRESSURE: 2461800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2461800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2461800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2461800 0 0 0 0 0 0 0 0 0 TIMING: 2461800 CPU: 9895.86, 0.00395017/step Wall: 9895.86, 0.00395017/step, 0.0419157 hours remaining, 114.824219 MB of memory in use. ENERGY: 2461800 643.0983 1854.1771 1963.0543 127.2375 2.4410 -1063.9138 0.0000 0.0000 2762.7467 6288.8411 305.1531 3526.0944 6322.0628 303.3839 PRESSURE: 2462000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2462000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2462000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2462000 0 0 0 0 0 0 0 0 0 TIMING: 2462000 CPU: 9896.65, 0.00394986/step Wall: 9896.65, 0.00394986/step, 0.041693 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2462000 630.5051 1878.9776 1991.2118 114.6404 3.0405 -1044.4828 0.0000 0.0000 2739.2432 6313.1358 302.5570 3573.8926 6346.3584 303.5241 PRESSURE: 2462200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2462200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2462200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2462200 0 0 0 0 0 0 0 0 0 TIMING: 2462200 CPU: 9897.44, 0.00395052/step Wall: 9897.44, 0.00395052/step, 0.0414804 hours remaining, 114.824219 MB of memory in use. ENERGY: 2462200 662.4997 1870.7956 1998.1196 112.6831 2.2851 -1077.9166 0.0000 0.0000 2742.4610 6310.9275 302.9125 3568.4665 6343.2839 304.7032 PRESSURE: 2462400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2462400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2462400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2462400 0 0 0 0 0 0 0 0 0 TIMING: 2462400 CPU: 9898.23, 0.00394479/step Wall: 9898.23, 0.00394479/step, 0.0412011 hours remaining, 114.824219 MB of memory in use. ENERGY: 2462400 647.2479 1860.9463 1955.6386 102.2329 2.6510 -1109.1072 0.0000 0.0000 2805.0615 6264.6710 309.8269 3459.6095 6298.2284 303.7842 PRESSURE: 2462600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2462600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2462600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2462600 0 0 0 0 0 0 0 0 0 TIMING: 2462600 CPU: 9899.02, 0.00395411/step Wall: 9899.02, 0.00395411/step, 0.0410789 hours remaining, 114.824219 MB of memory in use. ENERGY: 2462600 652.0535 1862.4666 1963.5001 91.6272 1.2542 -1071.2198 0.0000 0.0000 2704.2615 6203.9434 298.6932 3499.6819 6234.8774 300.1336 PRESSURE: 2462800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2462800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2462800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2462800 0 0 0 0 0 0 0 0 0 TIMING: 2462800 CPU: 9899.81, 0.00395135/step Wall: 9899.81, 0.00395135/step, 0.0408306 hours remaining, 114.824219 MB of memory in use. ENERGY: 2462800 640.6229 1834.8366 1941.2005 109.8833 0.9821 -1090.1191 0.0000 0.0000 2705.3965 6142.8028 298.8186 3437.4062 6176.1195 297.8207 PRESSURE: 2463000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2463000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2463000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2463000 0 0 0 0 0 0 0 0 0 TIMING: 2463000 CPU: 9900.6, 0.00395304/step Wall: 9900.6, 0.00395304/step, 0.0406285 hours remaining, 114.824219 MB of memory in use. ENERGY: 2463000 668.5631 1816.2869 1943.9164 98.6118 2.2347 -1062.8765 0.0000 0.0000 2683.3600 6150.0964 296.3846 3466.7364 6182.5678 296.8879 PRESSURE: 2463200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2463200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2463200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2463200 0 0 0 0 0 0 0 0 0 TIMING: 2463200 CPU: 9901.39, 0.00394895/step Wall: 9901.39, 0.00394894/step, 0.040367 hours remaining, 114.824219 MB of memory in use. ENERGY: 2463200 674.3249 1807.4397 1965.9604 101.2521 2.2797 -1116.7918 0.0000 0.0000 2743.1391 6177.6042 302.9874 3434.4650 6212.3781 295.7324 PRESSURE: 2463400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2463400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2463400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2463400 0 0 0 0 0 0 0 0 0 TIMING: 2463400 CPU: 9902.18, 0.00395249/step Wall: 9902.18, 0.0039525/step, 0.0401838 hours remaining, 114.824219 MB of memory in use. ENERGY: 2463400 648.6912 1790.1539 1984.1689 108.5095 0.9863 -1071.3475 0.0000 0.0000 2702.2979 6163.4601 298.4763 3461.1622 6197.4495 296.2452 PRESSURE: 2463600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2463600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2463600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2463600 0 0 0 0 0 0 0 0 0 TIMING: 2463600 CPU: 9902.97, 0.00395136/step Wall: 9902.97, 0.00395136/step, 0.0399526 hours remaining, 114.824219 MB of memory in use. ENERGY: 2463600 683.4622 1825.1975 1947.9962 103.7706 2.2525 -1081.7638 0.0000 0.0000 2747.9018 6228.8170 303.5134 3480.9152 6262.0956 299.8259 PRESSURE: 2463800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2463800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2463800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2463800 0 0 0 0 0 0 0 0 0 TIMING: 2463800 CPU: 9903.76, 0.00395208/step Wall: 9903.76, 0.00395208/step, 0.0397404 hours remaining, 114.824219 MB of memory in use. ENERGY: 2463800 637.4027 1791.2553 1978.9594 113.1253 1.7800 -1062.2313 0.0000 0.0000 2724.2405 6184.5319 300.8999 3460.2914 6217.4280 298.8008 PRESSURE: 2464000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2464000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2464000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2464000 0 0 0 0 0 0 0 0 0 TIMING: 2464000 CPU: 9904.55, 0.00395176/step Wall: 9904.55, 0.00395175/step, 0.0395175 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2464000 669.2631 1813.3940 1995.6762 104.1155 1.8342 -1069.6283 0.0000 0.0000 2716.5210 6231.1756 300.0473 3514.6546 6263.6079 299.2357 PRESSURE: 2464200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2464200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2464200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2464200 0 0 0 0 0 0 0 0 0 TIMING: 2464200 CPU: 9905.34, 0.00394799/step Wall: 9905.34, 0.003948/step, 0.0392607 hours remaining, 114.824219 MB of memory in use. ENERGY: 2464200 636.8818 1845.4479 1978.2334 107.7877 2.2598 -1072.7259 0.0000 0.0000 2679.9342 6177.8189 296.0062 3497.8847 6212.8805 300.3936 LDB: ============= START OF LOAD BALANCING ============== 9908.3 LDB: ============== END OF LOAD BALANCING =============== 9908.3 LDB: =============== DONE WITH MIGRATION ================ 9908.3 LDB: ============= START OF LOAD BALANCING ============== 9908.7 LDB: ============== END OF LOAD BALANCING =============== 9908.7 LDB: =============== DONE WITH MIGRATION ================ 9908.7 PRESSURE: 2464400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2464400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2464400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2464400 0 0 0 0 0 0 0 0 0 TIMING: 2464400 CPU: 9906.13, 0.0039574/step Wall: 9906.13, 0.0039574/step, 0.0391343 hours remaining, 114.824219 MB of memory in use. ENERGY: 2464400 647.0425 1815.5756 1992.0772 100.1907 2.0888 -1114.0095 0.0000 0.0000 2729.2906 6172.2560 301.4578 3442.9653 6207.0637 298.3903 PRESSURE: 2464600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2464600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2464600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2464600 0 0 0 0 0 0 0 0 0 TIMING: 2464600 CPU: 9906.93, 0.0039531/step Wall: 9906.93, 0.0039531/step, 0.0388721 hours remaining, 114.824219 MB of memory in use. ENERGY: 2464600 679.9989 1822.9237 1975.9084 107.8190 0.6585 -1101.6113 0.0000 0.0000 2672.6763 6158.3734 295.2045 3485.6971 6193.1923 296.8665 PRESSURE: 2464800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2464800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2464800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2464800 0 0 0 0 0 0 0 0 0 TIMING: 2464800 CPU: 9907.72, 0.00395446/step Wall: 9907.72, 0.00395446/step, 0.0386658 hours remaining, 114.824219 MB of memory in use. ENERGY: 2464800 653.2767 1824.3274 1981.8313 104.9806 0.8366 -1044.7970 0.0000 0.0000 2652.5834 6173.0389 292.9852 3520.4555 6205.4343 295.9903 PRESSURE: 2465000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2465000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2465000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2465000 0 0 0 0 0 0 0 0 0 TIMING: 2465000 CPU: 9908.51, 0.00395281/step Wall: 9908.51, 0.00395281/step, 0.0384301 hours remaining, 114.824219 MB of memory in use. ENERGY: 2465000 656.7335 1790.3593 1946.9620 100.0995 0.7907 -1063.0845 0.0000 0.0000 2687.8668 6119.7273 296.8824 3431.8606 6152.3697 296.0362 PRESSURE: 2465200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2465200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2465200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2465200 0 0 0 0 0 0 0 0 0 TIMING: 2465200 CPU: 9909.3, 0.00394785/step Wall: 9909.3, 0.00394785/step, 0.0381626 hours remaining, 114.824219 MB of memory in use. ENERGY: 2465200 647.6570 1791.1519 1970.8040 106.3913 1.7282 -1066.6371 0.0000 0.0000 2644.2684 6095.3636 292.0668 3451.0952 6128.4141 293.8344 PRESSURE: 2465400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2465400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2465400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2465400 0 0 0 0 0 0 0 0 0 TIMING: 2465400 CPU: 9910.09, 0.00395213/step Wall: 9910.09, 0.00395213/step, 0.0379843 hours remaining, 114.824219 MB of memory in use. ENERGY: 2465400 620.7782 1831.8687 1972.4527 92.0758 1.5997 -1087.9753 0.0000 0.0000 2632.2933 6063.0931 290.7441 3430.7998 6093.3065 292.8251 PRESSURE: 2465600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2465600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2465600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2465600 0 0 0 0 0 0 0 0 0 TIMING: 2465600 CPU: 9910.88, 0.00395103/step Wall: 9910.88, 0.00395103/step, 0.0377543 hours remaining, 114.824219 MB of memory in use. ENERGY: 2465600 624.3040 1835.6484 1979.0277 98.1634 1.9627 -1082.1330 0.0000 0.0000 2633.4561 6090.4293 290.8726 3456.9732 6123.0484 292.6639 PRESSURE: 2465800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2465800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2465800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2465800 0 0 0 0 0 0 0 0 0 TIMING: 2465800 CPU: 9911.67, 0.00395438/step Wall: 9911.67, 0.00395438/step, 0.0375666 hours remaining, 114.824219 MB of memory in use. ENERGY: 2465800 623.4988 1795.3573 1942.3787 99.4286 2.9076 -1051.8214 0.0000 0.0000 2693.3326 6105.0823 297.4861 3411.7496 6138.9243 292.6696 PRESSURE: 2466000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2466000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2466000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2466000 0 0 0 0 0 0 0 0 0 TIMING: 2466000 CPU: 9912.46, 0.00395317/step Wall: 9912.46, 0.00395317/step, 0.0373355 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2466000 629.8561 1861.5012 1965.7562 97.9874 1.7644 -1078.1258 0.0000 0.0000 2610.0534 6088.7928 288.2877 3478.7395 6117.8261 292.5522 PRESSURE: 2466200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2466200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2466200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2466200 0 0 0 0 0 0 0 0 0 TIMING: 2466200 CPU: 9913.25, 0.0039498/step Wall: 9913.25, 0.00394979/step, 0.0370842 hours remaining, 114.824219 MB of memory in use. ENERGY: 2466200 632.0200 1839.4139 1963.7072 107.5649 1.9130 -1090.5599 0.0000 0.0000 2619.7607 6073.8198 289.3599 3454.0591 6106.3654 291.9401 PRESSURE: 2466400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2466400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2466400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2466400 0 0 0 0 0 0 0 0 0 TIMING: 2466400 CPU: 9914.04, 0.00395525/step Wall: 9914.04, 0.00395525/step, 0.0369157 hours remaining, 114.824219 MB of memory in use. ENERGY: 2466400 640.6250 1781.5721 1977.3401 114.1900 3.5755 -1086.3161 0.0000 0.0000 2650.6317 6081.6184 292.7697 3430.9866 6113.6072 292.5237 PRESSURE: 2466600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2466600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2466600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2466600 0 0 0 0 0 0 0 0 0 TIMING: 2466600 CPU: 9914.83, 0.00395198/step Wall: 9914.83, 0.00395198/step, 0.0366656 hours remaining, 114.824219 MB of memory in use. ENERGY: 2466600 635.6201 1828.8671 1992.5630 100.2754 2.5391 -1074.6569 0.0000 0.0000 2671.1261 6156.3339 295.0333 3485.2077 6189.4942 293.8357 PRESSURE: 2466800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2466800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2466800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2466800 0 0 0 0 0 0 0 0 0 TIMING: 2466800 CPU: 9915.62, 0.00395255/step Wall: 9915.62, 0.00395255/step, 0.0364513 hours remaining, 114.824219 MB of memory in use. ENERGY: 2466800 676.7503 1825.9305 1951.8105 118.2691 1.5833 -1059.0558 0.0000 0.0000 2687.7071 6202.9950 296.8647 3515.2879 6234.2449 298.2904 PRESSURE: 2467000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2467000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2467000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2467000 0 0 0 0 0 0 0 0 0 TIMING: 2467000 CPU: 9916.41, 0.00394868/step Wall: 9916.41, 0.00394868/step, 0.0361962 hours remaining, 114.824219 MB of memory in use. ENERGY: 2467000 671.6568 1879.9879 1969.1454 108.5077 2.6429 -1076.1505 0.0000 0.0000 2643.8907 6199.6809 292.0251 3555.7902 6228.5623 298.2036 PRESSURE: 2467200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2467200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2467200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2467200 0 0 0 0 0 0 0 0 0 TIMING: 2467200 CPU: 9917.2, 0.00395509/step Wall: 9917.2, 0.00395509/step, 0.0360353 hours remaining, 114.824219 MB of memory in use. ENERGY: 2467200 660.3760 1791.7235 1967.8830 112.8359 2.4054 -1054.1772 0.0000 0.0000 2715.8096 6196.8562 299.9687 3481.0466 6227.4690 298.6959 PRESSURE: 2467400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2467400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2467400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2467400 0 0 0 0 0 0 0 0 0 TIMING: 2467400 CPU: 9917.99, 0.00395368/step Wall: 9917.99, 0.00395368/step, 0.0358028 hours remaining, 114.824219 MB of memory in use. ENERGY: 2467400 681.7498 1821.1426 1940.3947 104.5878 3.0444 -1026.2666 0.0000 0.0000 2731.1983 6255.8511 301.6685 3524.6528 6285.7437 298.7250 PRESSURE: 2467600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2467600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2467600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2467600 0 0 0 0 0 0 0 0 0 TIMING: 2467600 CPU: 9918.78, 0.00395486/step Wall: 9918.78, 0.00395486/step, 0.0355937 hours remaining, 114.824219 MB of memory in use. ENERGY: 2467600 651.0458 1892.6736 1994.9124 104.7291 2.4906 -1097.0770 0.0000 0.0000 2712.1099 6260.8844 299.5601 3548.7746 6290.2730 300.9502 PRESSURE: 2467800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2467800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2467800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2467800 0 0 0 0 0 0 0 0 0 TIMING: 2467800 CPU: 9919.57, 0.00396019/step Wall: 9919.57, 0.00396019/step, 0.0354217 hours remaining, 114.824219 MB of memory in use. ENERGY: 2467800 660.8906 1858.3722 1988.4421 109.7167 2.6410 -1105.4945 0.0000 0.0000 2757.5093 6272.0775 304.5746 3514.5682 6308.5649 303.6684 PRESSURE: 2468000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2468000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2468000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2468000 0 0 0 0 0 0 0 0 0 TIMING: 2468000 CPU: 9920.36, 0.00395144/step Wall: 9920.36, 0.00395144/step, 0.035124 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2468000 656.0790 1811.6310 1948.9138 107.1591 2.5362 -1041.7289 0.0000 0.0000 2772.1598 6256.7499 306.1928 3484.5901 6290.2668 303.5395 PRESSURE: 2468200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2468200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2468200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2468200 0 0 0 0 0 0 0 0 0 TIMING: 2468200 CPU: 9921.16, 0.00395773/step Wall: 9921.16, 0.00395773/step, 0.03496 hours remaining, 114.824219 MB of memory in use. ENERGY: 2468200 684.5682 1913.7694 1931.7239 100.2569 1.9684 -1068.8497 0.0000 0.0000 2719.8734 6283.3106 300.4176 3563.4371 6316.8328 303.6311 LDB: ============= START OF LOAD BALANCING ============== 9924.12 LDB: ============== END OF LOAD BALANCING =============== 9924.12 LDB: =============== DONE WITH MIGRATION ================ 9924.12 LDB: ============= START OF LOAD BALANCING ============== 9924.51 LDB: ============== END OF LOAD BALANCING =============== 9924.51 LDB: =============== DONE WITH MIGRATION ================ 9924.51 PRESSURE: 2468400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2468400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2468400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2468400 0 0 0 0 0 0 0 0 0 TIMING: 2468400 CPU: 9921.95, 0.00395962/step Wall: 9921.95, 0.00395962/step, 0.0347566 hours remaining, 114.824219 MB of memory in use. ENERGY: 2468400 607.6739 1843.7724 1970.5089 108.3057 1.8758 -1078.6417 0.0000 0.0000 2686.2168 6139.7116 296.7001 3453.4949 6174.2696 299.6564 PRESSURE: 2468600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2468600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2468600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2468600 0 0 0 0 0 0 0 0 0 TIMING: 2468600 CPU: 9922.74, 0.003955/step Wall: 9922.74, 0.003955/step, 0.0344964 hours remaining, 114.824219 MB of memory in use. ENERGY: 2468600 630.1042 1819.9413 1963.6161 100.3383 1.9317 -1087.1130 0.0000 0.0000 2655.6238 6084.4425 293.3210 3428.8187 6119.4640 292.6230 PRESSURE: 2468800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2468800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2468800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2468800 0 0 0 0 0 0 0 0 0 TIMING: 2468800 CPU: 9923.53, 0.00395549/step Wall: 9923.53, 0.00395549/step, 0.0342809 hours remaining, 114.824219 MB of memory in use. ENERGY: 2468800 623.1793 1845.9528 1977.9312 126.1605 1.8677 -1097.6612 0.0000 0.0000 2709.1746 6186.6049 299.2359 3477.4303 6217.5466 295.2838 PRESSURE: 2469000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2469000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2469000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2469000 0 0 0 0 0 0 0 0 0 TIMING: 2469000 CPU: 9924.32, 0.00395066/step Wall: 9924.32, 0.00395066/step, 0.0340196 hours remaining, 114.824219 MB of memory in use. ENERGY: 2469000 659.9567 1876.8500 1969.1153 98.1376 1.5119 -1085.7522 0.0000 0.0000 2652.2945 6172.1139 292.9533 3519.8194 6203.6524 298.6947 PRESSURE: 2469200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2469200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2469200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2469200 0 0 0 0 0 0 0 0 0 TIMING: 2469200 CPU: 9925.11, 0.00395669/step Wall: 9925.11, 0.00395669/step, 0.0338517 hours remaining, 114.824219 MB of memory in use. ENERGY: 2469200 612.5597 1856.1083 1946.4155 96.6501 1.8700 -1041.9609 0.0000 0.0000 2674.3932 6146.0358 295.3942 3471.6426 6178.1053 296.8087 PRESSURE: 2469400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2469400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2469400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2469400 0 0 0 0 0 0 0 0 0 TIMING: 2469400 CPU: 9925.9, 0.00395472/step Wall: 9925.9, 0.00395472/step, 0.0336151 hours remaining, 114.824219 MB of memory in use. ENERGY: 2469400 620.1049 1874.6398 1946.5899 105.6413 1.7879 -1109.5651 0.0000 0.0000 2716.9793 6156.1781 300.0979 3439.1988 6189.9069 296.4423 PRESSURE: 2469600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2469600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2469600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2469600 0 0 0 0 0 0 0 0 0 TIMING: 2469600 CPU: 9926.69, 0.00395569/step Wall: 9926.69, 0.00395569/step, 0.0334036 hours remaining, 114.824219 MB of memory in use. ENERGY: 2469600 643.1958 1828.0268 1949.8811 124.5727 1.4508 -1097.2471 0.0000 0.0000 2686.9460 6136.8261 296.7807 3449.8801 6168.8178 298.5059 PRESSURE: 2469800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2469800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2469800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2469800 0 0 0 0 0 0 0 0 0 TIMING: 2469800 CPU: 9927.49, 0.00395735/step Wall: 9927.49, 0.00395735/step, 0.0331978 hours remaining, 114.824219 MB of memory in use. ENERGY: 2469800 669.7473 1832.8737 1995.5641 122.0320 2.1734 -1120.1073 0.0000 0.0000 2666.5619 6168.8449 294.5292 3502.2831 6197.1775 296.7937 PRESSURE: 2470000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2470000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2470000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2470000 0 0 0 0 0 0 0 0 0 TIMING: 2470000 CPU: 9928.28, 0.00395135/step Wall: 9928.28, 0.00395135/step, 0.0329279 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2470000 639.9943 1867.7177 1930.3785 100.8566 0.6318 -1106.1128 0.0000 0.0000 2797.5705 6231.0368 308.9995 3433.4663 6268.0995 300.4281 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2470000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2470000 WRITING COORDINATES TO RESTART FILE AT STEP 2470000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2470000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2470200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2470200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2470200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2470200 0 0 0 0 0 0 0 0 0 TIMING: 2470200 CPU: 9929.11, 0.00417483/step Wall: 9929.11, 0.00417482/step, 0.0345582 hours remaining, 114.824219 MB of memory in use. ENERGY: 2470200 664.5297 1809.6588 1947.5025 107.0608 1.7150 -1092.5707 0.0000 0.0000 2748.9259 6186.8220 303.6265 3437.8962 6220.8951 300.6744 PRESSURE: 2470400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2470400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2470400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2470400 0 0 0 0 0 0 0 0 0 TIMING: 2470400 CPU: 9929.9, 0.00395496/step Wall: 9929.9, 0.00395496/step, 0.0325186 hours remaining, 114.824219 MB of memory in use. ENERGY: 2470400 638.6005 1840.0913 1965.2538 107.4047 1.7556 -1111.4192 0.0000 0.0000 2718.2264 6159.9131 300.2357 3441.6866 6195.8924 297.3583 PRESSURE: 2470600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2470600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2470600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2470600 0 0 0 0 0 0 0 0 0 TIMING: 2470600 CPU: 9930.69, 0.00395303/step Wall: 9930.69, 0.00395303/step, 0.032283 hours remaining, 114.824219 MB of memory in use. ENERGY: 2470600 692.2367 1870.9059 1955.4114 97.2080 1.2104 -1154.5828 0.0000 0.0000 2699.6170 6162.0066 298.1802 3462.3896 6194.1783 297.4605 PRESSURE: 2470800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2470800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2470800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2470800 0 0 0 0 0 0 0 0 0 TIMING: 2470800 CPU: 9931.48, 0.00395038/step Wall: 9931.48, 0.00395038/step, 0.032042 hours remaining, 114.824219 MB of memory in use. ENERGY: 2470800 638.0919 1827.6143 1975.4362 105.1817 2.1897 -1111.2282 0.0000 0.0000 2715.3244 6152.6101 299.9151 3437.2856 6188.0340 298.1414 PRESSURE: 2471000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2471000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2471000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2471000 0 0 0 0 0 0 0 0 0 TIMING: 2471000 CPU: 9932.27, 0.00395089/step Wall: 9932.27, 0.00395089/step, 0.0318266 hours remaining, 114.824219 MB of memory in use. ENERGY: 2471000 627.2716 1842.8314 1961.2257 114.8464 2.5437 -1118.0422 0.0000 0.0000 2731.7440 6162.4207 301.7287 3430.6766 6198.3285 298.1321 PRESSURE: 2471200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2471200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2471200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2471200 0 0 0 0 0 0 0 0 0 TIMING: 2471200 CPU: 9933.06, 0.0039526/step Wall: 9933.06, 0.0039526/step, 0.0316208 hours remaining, 114.824219 MB of memory in use. ENERGY: 2471200 673.7567 1823.3614 1958.1644 115.7078 2.0542 -1081.4601 0.0000 0.0000 2701.5610 6193.1456 298.3949 3491.5846 6227.6316 299.5869 PRESSURE: 2471400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2471400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2471400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2471400 0 0 0 0 0 0 0 0 0 TIMING: 2471400 CPU: 9933.85, 0.00395316/step Wall: 9933.85, 0.00395316/step, 0.0314057 hours remaining, 114.824219 MB of memory in use. ENERGY: 2471400 665.2980 1870.7408 1936.3141 99.7568 1.7175 -1083.2019 0.0000 0.0000 2744.9797 6235.6051 303.1907 3490.6253 6267.4318 300.1276 PRESSURE: 2471600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2471600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2471600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2471600 0 0 0 0 0 0 0 0 0 TIMING: 2471600 CPU: 9934.64, 0.00395318/step Wall: 9934.64, 0.00395318/step, 0.0311862 hours remaining, 114.824219 MB of memory in use. ENERGY: 2471600 645.4089 1899.5806 1942.6444 99.4907 1.7298 -1067.8705 0.0000 0.0000 2704.5530 6225.5369 298.7254 3520.9839 6255.9463 301.7282 PRESSURE: 2471800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2471800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2471800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2471800 0 0 0 0 0 0 0 0 0 TIMING: 2471800 CPU: 9935.43, 0.00394837/step Wall: 9935.43, 0.00394837/step, 0.0309289 hours remaining, 114.824219 MB of memory in use. ENERGY: 2471800 611.8055 1863.6375 1969.2106 111.9857 -0.0236 -1069.9954 0.0000 0.0000 2749.8622 6236.4824 303.7299 3486.6202 6271.5729 302.1504 PRESSURE: 2472000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2472000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2472000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2472000 0 0 0 0 0 0 0 0 0 TIMING: 2472000 CPU: 9936.22, 0.00395401/step Wall: 9936.22, 0.00395401/step, 0.0307534 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2472000 658.4174 1897.1740 1945.7977 100.8830 0.6158 -1090.7336 0.0000 0.0000 2755.2578 6267.4121 304.3259 3512.1544 6299.4772 302.1814 PRESSURE: 2472200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2472200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2472200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2472200 0 0 0 0 0 0 0 0 0 TIMING: 2472200 CPU: 9937.02, 0.0039534/step Wall: 9937.02, 0.0039534/step, 0.0305291 hours remaining, 114.824219 MB of memory in use. ENERGY: 2472200 661.5816 1839.0131 1966.7081 121.8361 2.0071 -1086.4377 0.0000 0.0000 2730.8555 6235.5638 301.6306 3504.7083 6266.5183 302.9417 LDB: ============= START OF LOAD BALANCING ============== 9939.97 LDB: ============== END OF LOAD BALANCING =============== 9939.97 LDB: =============== DONE WITH MIGRATION ================ 9939.97 LDB: ============= START OF LOAD BALANCING ============== 9940.37 LDB: ============== END OF LOAD BALANCING =============== 9940.37 LDB: =============== DONE WITH MIGRATION ================ 9940.37 PRESSURE: 2472400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2472400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2472400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2472400 0 0 0 0 0 0 0 0 0 TIMING: 2472400 CPU: 9937.81, 0.00395758/step Wall: 9937.81, 0.00395758/step, 0.0303414 hours remaining, 114.824219 MB of memory in use. ENERGY: 2472400 654.5336 1856.3012 1980.7342 121.2039 0.5682 -1112.6411 0.0000 0.0000 2739.7580 6240.4580 302.6139 3500.7000 6272.0883 300.7915 PRESSURE: 2472600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2472600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2472600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2472600 0 0 0 0 0 0 0 0 0 TIMING: 2472600 CPU: 9938.6, 0.00395861/step Wall: 9938.6, 0.00395861/step, 0.0301294 hours remaining, 114.824219 MB of memory in use. ENERGY: 2472600 640.5952 1889.8146 1956.5289 109.1289 1.9107 -1071.2153 0.0000 0.0000 2660.5154 6187.2785 293.8613 3526.7630 6219.7427 300.8427 PRESSURE: 2472800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2472800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2472800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2472800 0 0 0 0 0 0 0 0 0 TIMING: 2472800 CPU: 9939.39, 0.00394916/step Wall: 9939.39, 0.00394916/step, 0.0298381 hours remaining, 114.824219 MB of memory in use. ENERGY: 2472800 660.3541 1857.9884 1922.0623 102.8870 0.5824 -1114.5931 0.0000 0.0000 2667.0222 6096.3032 294.5800 3429.2810 6126.5745 296.3168 PRESSURE: 2473000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2473000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2473000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2473000 0 0 0 0 0 0 0 0 0 TIMING: 2473000 CPU: 9940.18, 0.00395326/step Wall: 9940.18, 0.00395326/step, 0.0296495 hours remaining, 114.824219 MB of memory in use. ENERGY: 2473000 682.4219 1866.8275 1970.3699 93.7082 1.7064 -1119.8861 0.0000 0.0000 2663.2334 6158.3811 294.1615 3495.1478 6191.1721 296.6231 PRESSURE: 2473200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2473200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2473200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2473200 0 0 0 0 0 0 0 0 0 TIMING: 2473200 CPU: 9940.97, 0.0039522/step Wall: 9940.97, 0.0039522/step, 0.0294219 hours remaining, 114.824219 MB of memory in use. ENERGY: 2473200 676.3398 1857.8459 1957.4057 109.8300 0.1803 -1108.5969 0.0000 0.0000 2672.2648 6165.2696 295.1591 3493.0048 6198.9259 299.6655 PRESSURE: 2473400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2473400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2473400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2473400 0 0 0 0 0 0 0 0 0 TIMING: 2473400 CPU: 9941.76, 0.00395274/step Wall: 9941.76, 0.00395274/step, 0.0292064 hours remaining, 114.824219 MB of memory in use. ENERGY: 2473400 637.9657 1876.1641 1949.6826 112.2542 2.7309 -1083.0924 0.0000 0.0000 2675.4945 6171.1995 295.5158 3495.7051 6204.1275 296.5936 PRESSURE: 2473600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2473600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2473600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2473600 0 0 0 0 0 0 0 0 0 TIMING: 2473600 CPU: 9942.55, 0.00395437/step Wall: 9942.55, 0.00395437/step, 0.0289987 hours remaining, 114.824219 MB of memory in use. ENERGY: 2473600 644.2827 1856.0473 1973.4851 104.4472 2.1496 -1082.2809 0.0000 0.0000 2687.6485 6185.7795 296.8583 3498.1309 6218.4028 298.8340 PRESSURE: 2473800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2473800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2473800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2473800 0 0 0 0 0 0 0 0 0 TIMING: 2473800 CPU: 9943.34, 0.00394747/step Wall: 9943.34, 0.00394747/step, 0.0287288 hours remaining, 114.824219 MB of memory in use. ENERGY: 2473800 621.4915 1890.2941 1941.2728 111.4013 2.0225 -1067.3548 0.0000 0.0000 2740.9535 6240.0811 302.7460 3499.1275 6275.7968 300.2872 PRESSURE: 2474000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2474000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2474000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2474000 0 0 0 0 0 0 0 0 0 TIMING: 2474000 CPU: 9944.13, 0.0039536/step Wall: 9944.13, 0.0039536/step, 0.0285538 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2474000 641.9168 1918.4737 1971.7458 102.0797 2.2738 -1161.0537 0.0000 0.0000 2730.1637 6205.5999 301.5542 3475.4362 6239.2315 300.6024 PRESSURE: 2474200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2474200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2474200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2474200 0 0 0 0 0 0 0 0 0 TIMING: 2474200 CPU: 9944.92, 0.00395247/step Wall: 9944.92, 0.00395247/step, 0.028326 hours remaining, 114.824219 MB of memory in use. ENERGY: 2474200 729.0607 1837.2715 1932.3461 110.5222 1.4180 -1090.2150 0.0000 0.0000 2719.5123 6239.9157 300.3777 3520.4034 6271.9899 298.8929 PRESSURE: 2474400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2474400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2474400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2474400 0 0 0 0 0 0 0 0 0 TIMING: 2474400 CPU: 9945.71, 0.00395308/step Wall: 9945.71, 0.00395308/step, 0.0281108 hours remaining, 114.824219 MB of memory in use. ENERGY: 2474400 636.7803 1860.6829 1949.1238 106.0117 1.9788 -1093.1372 0.0000 0.0000 2706.0656 6167.5057 298.8925 3461.4401 6201.5271 298.3966 PRESSURE: 2474600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2474600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2474600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2474600 0 0 0 0 0 0 0 0 0 TIMING: 2474600 CPU: 9946.5, 0.003956/step Wall: 9946.5, 0.003956/step, 0.0279118 hours remaining, 114.824219 MB of memory in use. ENERGY: 2474600 712.3707 1848.9780 1961.0968 106.7981 1.0257 -1135.9087 0.0000 0.0000 2711.8762 6206.2368 299.5343 3494.3606 6237.8551 299.1710 PRESSURE: 2474800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2474800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2474800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2474800 0 0 0 0 0 0 0 0 0 TIMING: 2474800 CPU: 9947.29, 0.00395609/step Wall: 9947.29, 0.00395609/step, 0.0276927 hours remaining, 114.824219 MB of memory in use. ENERGY: 2474800 646.8201 1892.3037 1973.1355 115.3705 1.3568 -1092.6157 0.0000 0.0000 2681.0206 6217.3916 296.1262 3536.3710 6250.3710 300.3838 PRESSURE: 2475000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2475000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2475000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2475000 0 0 0 0 0 0 0 0 0 TIMING: 2475000 CPU: 9948.09, 0.00395609/step Wall: 9948.09, 0.00395609/step, 0.0274728 hours remaining, 114.824219 MB of memory in use. ENERGY: 2475000 626.8093 1827.8260 1966.3700 115.1622 1.5483 -1114.2897 0.0000 0.0000 2726.5365 6149.9626 301.1536 3423.4260 6184.8360 298.7125 PRESSURE: 2475200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2475200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2475200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2475200 0 0 0 0 0 0 0 0 0 TIMING: 2475200 CPU: 9948.88, 0.00395249/step Wall: 9948.88, 0.00395249/step, 0.0272283 hours remaining, 114.824219 MB of memory in use. ENERGY: 2475200 626.1588 1850.8204 1969.7297 95.0124 1.1063 -1096.6592 0.0000 0.0000 2721.2000 6167.3684 300.5641 3446.1685 6199.3632 297.0286 PRESSURE: 2475400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2475400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2475400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2475400 0 0 0 0 0 0 0 0 0 TIMING: 2475400 CPU: 9949.67, 0.00395193/step Wall: 9949.67, 0.00395193/step, 0.0270049 hours remaining, 114.824219 MB of memory in use. ENERGY: 2475400 620.5055 1853.0497 1976.2238 101.2605 2.3243 -1113.4851 0.0000 0.0000 2673.3879 6113.2667 295.2831 3439.8788 6146.9464 298.7441 PRESSURE: 2475600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2475600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2475600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2475600 0 0 0 0 0 0 0 0 0 TIMING: 2475600 CPU: 9950.46, 0.00394385/step Wall: 9950.46, 0.00394386/step, 0.0267306 hours remaining, 114.824219 MB of memory in use. ENERGY: 2475600 673.8594 1844.5675 1949.1316 102.7501 1.5659 -1106.9701 0.0000 0.0000 2678.8701 6143.7745 295.8887 3464.9044 6177.9261 295.6216 PRESSURE: 2475800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2475800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2475800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2475800 0 0 0 0 0 0 0 0 0 TIMING: 2475800 CPU: 9951.25, 0.0039528/step Wall: 9951.25, 0.0039528/step, 0.0265716 hours remaining, 114.824219 MB of memory in use. ENERGY: 2475800 648.8898 1818.4619 1952.9363 110.8951 1.4527 -1091.5710 0.0000 0.0000 2721.9961 6163.0608 300.6520 3441.0648 6195.2349 296.6235 PRESSURE: 2476000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2476000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2476000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2476000 0 0 0 0 0 0 0 0 0 TIMING: 2476000 CPU: 9952.04, 0.00395427/step Wall: 9952.04, 0.00395427/step, 0.0263618 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2476000 659.6644 1834.8265 1953.0804 102.7959 1.5030 -1076.0418 0.0000 0.0000 2721.0424 6196.8709 300.5467 3475.8285 6231.8379 298.2335 PRESSURE: 2476200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2476200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2476200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2476200 0 0 0 0 0 0 0 0 0 TIMING: 2476200 CPU: 9952.83, 0.00395198/step Wall: 9952.83, 0.00395198/step, 0.026127 hours remaining, 114.824219 MB of memory in use. ENERGY: 2476200 696.4359 1811.6759 1959.0039 106.5006 3.0470 -1068.0982 0.0000 0.0000 2756.9778 6265.5429 304.5159 3508.5650 6298.2060 301.5417 LDB: ============= START OF LOAD BALANCING ============== 9955.79 LDB: ============== END OF LOAD BALANCING =============== 9955.79 LDB: =============== DONE WITH MIGRATION ================ 9955.79 LDB: ============= START OF LOAD BALANCING ============== 9956.18 LDB: ============== END OF LOAD BALANCING =============== 9956.18 LDB: =============== DONE WITH MIGRATION ================ 9956.18 PRESSURE: 2476400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2476400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2476400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2476400 0 0 0 0 0 0 0 0 0 TIMING: 2476400 CPU: 9953.62, 0.00395562/step Wall: 9953.62, 0.00395562/step, 0.0259313 hours remaining, 114.824219 MB of memory in use. ENERGY: 2476400 634.3619 1877.8923 1954.2828 107.9547 2.3809 -1094.6914 0.0000 0.0000 2726.3713 6208.5526 301.1353 3482.1813 6242.5134 301.9602 PRESSURE: 2476600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2476600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2476600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2476600 0 0 0 0 0 0 0 0 0 TIMING: 2476600 CPU: 9954.41, 0.003943/step Wall: 9954.41, 0.003943/step, 0.0256295 hours remaining, 114.824219 MB of memory in use. ENERGY: 2476600 644.3921 1854.4311 1973.2617 106.6016 2.5436 -1094.2190 0.0000 0.0000 2699.3979 6186.4091 298.1560 3487.0111 6219.9687 300.0731 PRESSURE: 2476800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2476800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2476800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2476800 0 0 0 0 0 0 0 0 0 TIMING: 2476800 CPU: 9955.2, 0.00395077/step Wall: 9955.2, 0.00395077/step, 0.0254605 hours remaining, 114.824219 MB of memory in use. ENERGY: 2476800 623.6484 1858.7096 1950.6953 107.6598 1.6880 -1061.5511 0.0000 0.0000 2733.7958 6214.6458 301.9554 3480.8500 6247.0746 299.8227 PRESSURE: 2477000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2477000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2477000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2477000 0 0 0 0 0 0 0 0 0 TIMING: 2477000 CPU: 9955.99, 0.00395063/step Wall: 9955.99, 0.00395063/step, 0.0252401 hours remaining, 114.824219 MB of memory in use. ENERGY: 2477000 640.7350 1849.7778 1967.5201 116.2475 1.0202 -1070.0233 0.0000 0.0000 2670.8529 6176.1303 295.0031 3505.2773 6209.8481 299.4888 PRESSURE: 2477200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2477200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2477200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2477200 0 0 0 0 0 0 0 0 0 TIMING: 2477200 CPU: 9956.78, 0.00394943/step Wall: 9956.78, 0.00394943/step, 0.0250131 hours remaining, 114.824219 MB of memory in use. ENERGY: 2477200 692.4398 1810.1398 1954.9812 115.0457 1.6599 -1080.2339 0.0000 0.0000 2717.7046 6211.7372 300.1780 3494.0326 6243.8508 296.7076 PRESSURE: 2477400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2477400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2477400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2477400 0 0 0 0 0 0 0 0 0 TIMING: 2477400 CPU: 9957.57, 0.00395029/step Wall: 9957.57, 0.00395029/step, 0.024799 hours remaining, 114.824219 MB of memory in use. ENERGY: 2477400 639.6529 1872.0165 1952.3075 106.7319 2.2938 -1079.1893 0.0000 0.0000 2769.5888 6263.4020 305.9088 3493.8132 6296.0138 300.3347 PRESSURE: 2477600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2477600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2477600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2477600 0 0 0 0 0 0 0 0 0 TIMING: 2477600 CPU: 9958.36, 0.00394237/step Wall: 9958.36, 0.00394236/step, 0.0245302 hours remaining, 114.824219 MB of memory in use. ENERGY: 2477600 612.2294 1906.3199 1975.9789 101.3831 1.2632 -1108.7428 0.0000 0.0000 2740.8049 6229.2367 302.7295 3488.4318 6261.5952 302.9978 PRESSURE: 2477800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2477800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2477800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2477800 0 0 0 0 0 0 0 0 0 TIMING: 2477800 CPU: 9959.15, 0.00394977/step Wall: 9959.15, 0.00394978/step, 0.024357 hours remaining, 114.824219 MB of memory in use. ENERGY: 2477800 646.5256 1863.3648 1974.9253 123.1792 1.5641 -1097.1855 0.0000 0.0000 2752.1970 6264.5706 303.9878 3512.3736 6302.6786 303.7033 PRESSURE: 2478000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2478000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2478000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2478000 0 0 0 0 0 0 0 0 0 TIMING: 2478000 CPU: 9959.94, 0.00394992/step Wall: 9959.94, 0.00394992/step, 0.0241384 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2478000 672.2542 1866.9312 1973.2676 115.4813 1.7672 -1101.9212 0.0000 0.0000 2721.3499 6249.1301 300.5807 3527.7802 6282.9388 303.0940 PRESSURE: 2478200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2478200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2478200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2478200 0 0 0 0 0 0 0 0 0 TIMING: 2478200 CPU: 9960.73, 0.0039485/step Wall: 9960.73, 0.0039485/step, 0.0239104 hours remaining, 114.824219 MB of memory in use. ENERGY: 2478200 676.3191 1838.9991 1963.0066 104.3430 2.2240 -1099.5039 0.0000 0.0000 2722.1727 6207.5606 300.6716 3485.3879 6240.4518 301.5744 PRESSURE: 2478400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2478400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2478400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2478400 0 0 0 0 0 0 0 0 0 TIMING: 2478400 CPU: 9961.51, 0.00394427/step Wall: 9961.51, 0.00394427/step, 0.0236656 hours remaining, 114.824219 MB of memory in use. ENERGY: 2478400 676.2864 1847.2932 1980.4113 109.0884 1.7179 -1108.4705 0.0000 0.0000 2712.9075 6219.2343 299.6482 3506.3268 6252.9206 300.4138 PRESSURE: 2478600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2478600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2478600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2478600 0 0 0 0 0 0 0 0 0 TIMING: 2478600 CPU: 9962.3, 0.0039518/step Wall: 9962.3, 0.00395179/step, 0.0234912 hours remaining, 114.824219 MB of memory in use. ENERGY: 2478600 645.6921 1866.2899 1971.1136 103.4147 1.4854 -1112.4794 0.0000 0.0000 2739.4489 6214.9653 302.5798 3475.5164 6247.7161 300.8393 PRESSURE: 2478800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2478800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2478800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2478800 0 0 0 0 0 0 0 0 0 TIMING: 2478800 CPU: 9963.09, 0.00395107/step Wall: 9963.09, 0.00395107/step, 0.0232674 hours remaining, 114.824219 MB of memory in use. ENERGY: 2478800 660.9878 1895.3768 1957.2797 100.9988 1.1233 -1120.9514 0.0000 0.0000 2714.4917 6209.3066 299.8232 3494.8149 6242.0417 300.2775 PRESSURE: 2479000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2479000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2479000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2479000 0 0 0 0 0 0 0 0 0 TIMING: 2479000 CPU: 9963.89, 0.00395026/step Wall: 9963.89, 0.00395026/step, 0.0230432 hours remaining, 114.824219 MB of memory in use. ENERGY: 2479000 642.1836 1881.8731 1946.8600 123.2250 0.7652 -1108.6548 0.0000 0.0000 2713.7463 6199.9984 299.7408 3486.2521 6232.7683 301.2032 PRESSURE: 2479200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2479200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2479200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2479200 0 0 0 0 0 0 0 0 0 TIMING: 2479200 CPU: 9964.67, 0.00394907/step Wall: 9964.67, 0.00394907/step, 0.0228168 hours remaining, 114.824219 MB of memory in use. ENERGY: 2479200 685.5462 1915.1322 1966.3441 111.8396 0.9622 -1135.4808 0.0000 0.0000 2703.8949 6248.2383 298.6527 3544.3435 6281.9670 301.7837 PRESSURE: 2479400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2479400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2479400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2479400 0 0 0 0 0 0 0 0 0 TIMING: 2479400 CPU: 9965.46, 0.00394202/step Wall: 9965.46, 0.00394202/step, 0.0225571 hours remaining, 114.824219 MB of memory in use. ENERGY: 2479400 672.6557 1858.3985 1934.5686 100.8682 2.0197 -1081.2406 0.0000 0.0000 2703.0617 6190.3319 298.5607 3487.2702 6225.6148 303.2326 PRESSURE: 2479600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2479600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2479600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2479600 0 0 0 0 0 0 0 0 0 TIMING: 2479600 CPU: 9966.25, 0.00394708/step Wall: 9966.25, 0.00394708/step, 0.0223668 hours remaining, 114.824219 MB of memory in use. ENERGY: 2479600 647.4421 1873.5804 1955.5844 102.7629 2.9881 -1089.7652 0.0000 0.0000 2764.9055 6257.4983 305.3915 3492.5928 6291.4351 302.3232 PRESSURE: 2479800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2479800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2479800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2479800 0 0 0 0 0 0 0 0 0 TIMING: 2479800 CPU: 9967.04, 0.00394957/step Wall: 9967.04, 0.00394957/step, 0.0221615 hours remaining, 114.824219 MB of memory in use. ENERGY: 2479800 661.4461 1925.4544 1963.7402 120.2824 2.0925 -1106.4839 0.0000 0.0000 2716.8600 6283.3916 300.0848 3566.5316 6318.2536 304.5877 PRESSURE: 2480000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2480000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2480000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2480000 0 0 0 0 0 0 0 0 0 TIMING: 2480000 CPU: 9967.83, 0.00394799/step Wall: 9967.83, 0.00394799/step, 0.0219333 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2480000 663.1127 1923.8727 1936.5376 109.1324 1.6861 -1080.8995 0.0000 0.0000 2734.0806 6287.5226 301.9868 3553.4420 6322.1406 304.2394 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2480000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2480000 WRITING COORDINATES TO RESTART FILE AT STEP 2480000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2480000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2480200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2480200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2480200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2480200 0 0 0 0 0 0 0 0 0 TIMING: 2480200 CPU: 9968.67, 0.00418034/step Wall: 9968.67, 0.00418034/step, 0.0229919 hours remaining, 114.824219 MB of memory in use. ENERGY: 2480200 691.6484 1861.9518 1971.3467 107.3115 1.1773 -1090.5280 0.0000 0.0000 2733.5138 6276.4214 301.9242 3542.9076 6309.0705 304.4262 LDB: ============= START OF LOAD BALANCING ============== 9971.63 LDB: ============== END OF LOAD BALANCING =============== 9971.63 LDB: =============== DONE WITH MIGRATION ================ 9971.63 LDB: ============= START OF LOAD BALANCING ============== 9972.02 LDB: ============== END OF LOAD BALANCING =============== 9972.02 LDB: =============== DONE WITH MIGRATION ================ 9972.02 PRESSURE: 2480400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2480400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2480400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2480400 0 0 0 0 0 0 0 0 0 TIMING: 2480400 CPU: 9969.46, 0.00394634/step Wall: 9969.46, 0.00394634/step, 0.0214857 hours remaining, 114.824219 MB of memory in use. ENERGY: 2480400 687.0646 1876.2066 1930.0245 111.3827 1.4705 -1066.2317 0.0000 0.0000 2754.5599 6294.4770 304.2488 3539.9171 6331.1862 304.4654 PRESSURE: 2480600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2480600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2480600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2480600 0 0 0 0 0 0 0 0 0 TIMING: 2480600 CPU: 9970.25, 0.00394661/step Wall: 9970.25, 0.00394661/step, 0.0212678 hours remaining, 114.824219 MB of memory in use. ENERGY: 2480600 675.3696 1890.2637 1942.9345 100.5171 1.7851 -1123.7919 0.0000 0.0000 2760.4037 6247.4818 304.8943 3487.0781 6285.0275 302.1162 PRESSURE: 2480800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2480800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2480800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2480800 0 0 0 0 0 0 0 0 0 TIMING: 2480800 CPU: 9971.04, 0.00394803/step Wall: 9971.04, 0.00394803/step, 0.0210561 hours remaining, 114.824219 MB of memory in use. ENERGY: 2480800 619.8533 1936.5264 1931.0013 107.4859 2.4563 -1108.4526 0.0000 0.0000 2774.4162 6263.2869 306.4420 3488.8707 6297.5253 303.2201 PRESSURE: 2481000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2481000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2481000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2481000 0 0 0 0 0 0 0 0 0 TIMING: 2481000 CPU: 9971.83, 0.00394602/step Wall: 9971.83, 0.00394603/step, 0.0208262 hours remaining, 114.824219 MB of memory in use. ENERGY: 2481000 658.9643 1883.6824 1959.8841 119.7251 3.1775 -1081.2483 0.0000 0.0000 2772.3097 6316.4949 306.2093 3544.1851 6348.0526 304.5636 PRESSURE: 2481200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2481200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2481200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2481200 0 0 0 0 0 0 0 0 0 TIMING: 2481200 CPU: 9972.61, 0.00394573/step Wall: 9972.61, 0.00394573/step, 0.0206055 hours remaining, 114.824219 MB of memory in use. ENERGY: 2481200 651.2600 1841.6441 2004.7525 100.2059 2.6447 -1052.2305 0.0000 0.0000 2721.9438 6270.2206 300.6463 3548.2767 6304.1916 304.5367 PRESSURE: 2481400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2481400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2481400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2481400 0 0 0 0 0 0 0 0 0 TIMING: 2481400 CPU: 9973.4, 0.00394101/step Wall: 9973.4, 0.00394101/step, 0.0203619 hours remaining, 114.824219 MB of memory in use. ENERGY: 2481400 643.0895 1891.5227 1975.2369 109.6526 1.5721 -1076.6741 0.0000 0.0000 2763.2325 6307.6323 305.2067 3544.3998 6342.7426 303.9603 PRESSURE: 2481600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2481600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2481600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2481600 0 0 0 0 0 0 0 0 0 TIMING: 2481600 CPU: 9974.19, 0.00394699/step Wall: 9974.19, 0.00394699/step, 0.0201735 hours remaining, 114.824219 MB of memory in use. ENERGY: 2481600 698.4750 1852.7232 1971.7461 111.6256 2.2393 -1051.5865 0.0000 0.0000 2748.6365 6333.8591 303.5946 3585.2226 6367.9294 305.8554 PRESSURE: 2481800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2481800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2481800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2481800 0 0 0 0 0 0 0 0 0 TIMING: 2481800 CPU: 9974.98, 0.00394619/step Wall: 9974.98, 0.00394619/step, 0.0199502 hours remaining, 114.824219 MB of memory in use. ENERGY: 2481800 655.7873 1882.1005 1970.3405 103.7301 2.2342 -1067.8906 0.0000 0.0000 2759.2647 6305.5668 304.7685 3546.3021 6337.0186 304.7755 PRESSURE: 2482000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2482000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2482000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2482000 0 0 0 0 0 0 0 0 0 TIMING: 2482000 CPU: 9975.77, 0.00394934/step Wall: 9975.77, 0.00394934/step, 0.0197467 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2482000 668.9993 1847.5329 2006.6347 101.8683 1.2631 -1066.5173 0.0000 0.0000 2734.9016 6294.6825 302.0775 3559.7809 6326.4715 305.4733 PRESSURE: 2482200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2482200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2482200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2482200 0 0 0 0 0 0 0 0 0 TIMING: 2482200 CPU: 9976.56, 0.00394293/step Wall: 9976.56, 0.00394293/step, 0.0194956 hours remaining, 114.824219 MB of memory in use. ENERGY: 2482200 680.7690 1855.2928 1987.6121 107.1292 0.4145 -1078.3382 0.0000 0.0000 2670.3674 6223.2469 294.9495 3552.8795 6254.5559 303.2069 PRESSURE: 2482400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2482400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2482400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2482400 0 0 0 0 0 0 0 0 0 TIMING: 2482400 CPU: 9977.35, 0.0039463/step Wall: 9977.35, 0.0039463/step, 0.019293 hours remaining, 114.824219 MB of memory in use. ENERGY: 2482400 643.0926 1881.6007 1947.1456 108.5378 0.8287 -1104.3901 0.0000 0.0000 2731.8692 6208.6844 301.7426 3476.8153 6240.4417 299.2198 PRESSURE: 2482600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2482600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2482600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2482600 0 0 0 0 0 0 0 0 0 TIMING: 2482600 CPU: 9978.14, 0.00394802/step Wall: 9978.14, 0.00394802/step, 0.0190821 hours remaining, 114.824219 MB of memory in use. ENERGY: 2482600 662.8779 1912.5349 1913.3763 96.2707 1.2283 -1093.4914 0.0000 0.0000 2705.2639 6198.0607 298.8039 3492.7968 6231.1115 300.8579 PRESSURE: 2482800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2482800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2482800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2482800 0 0 0 0 0 0 0 0 0 TIMING: 2482800 CPU: 9978.93, 0.00396631/step Wall: 9978.93, 0.00396631/step, 0.0189501 hours remaining, 114.824219 MB of memory in use. ENERGY: 2482800 648.2687 1878.9065 1947.6327 108.9067 1.0697 -1115.1787 0.0000 0.0000 2745.3989 6215.0046 303.2370 3469.6057 6248.6761 299.6977 PRESSURE: 2483000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2483000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2483000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2483000 0 0 0 0 0 0 0 0 0 TIMING: 2483000 CPU: 9979.72, 0.0039495/step Wall: 9979.72, 0.0039495/step, 0.0186504 hours remaining, 114.824219 MB of memory in use. ENERGY: 2483000 652.2696 1844.9881 1970.5777 112.6423 1.9757 -1092.1531 0.0000 0.0000 2754.6222 6244.9225 304.2557 3490.3003 6277.1478 300.2603 PRESSURE: 2483200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2483200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2483200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2483200 0 0 0 0 0 0 0 0 0 TIMING: 2483200 CPU: 9980.51, 0.00394454/step Wall: 9980.51, 0.00394454/step, 0.0184078 hours remaining, 114.824219 MB of memory in use. ENERGY: 2483200 676.8238 1827.7576 1966.8358 117.9517 3.6292 -1060.6952 0.0000 0.0000 2710.3478 6242.6507 299.3655 3532.3029 6276.6152 301.3461 PRESSURE: 2483400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2483400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2483400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2483400 0 0 0 0 0 0 0 0 0 TIMING: 2483400 CPU: 9981.3, 0.00394733/step Wall: 9981.3, 0.00394733/step, 0.0182016 hours remaining, 114.824219 MB of memory in use. ENERGY: 2483400 659.9914 1907.0505 1987.2717 101.8314 0.8905 -1121.5877 0.0000 0.0000 2732.0972 6267.5450 301.7677 3535.4478 6302.2995 302.5865 PRESSURE: 2483600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2483600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2483600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2483600 0 0 0 0 0 0 0 0 0 TIMING: 2483600 CPU: 9982.09, 0.00394549/step Wall: 9982.09, 0.00394549/step, 0.0179739 hours remaining, 114.824219 MB of memory in use. ENERGY: 2483600 696.4808 1805.8585 1952.7628 119.9228 2.3255 -1076.2230 0.0000 0.0000 2716.1818 6217.3092 300.0099 3501.1274 6248.2196 302.1849 PRESSURE: 2483800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2483800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2483800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2483800 0 0 0 0 0 0 0 0 0 TIMING: 2483800 CPU: 9982.88, 0.00394605/step Wall: 9982.88, 0.00394605/step, 0.0177572 hours remaining, 114.824219 MB of memory in use. ENERGY: 2483800 635.3663 1856.3564 1970.0695 105.9652 1.8554 -1069.5218 0.0000 0.0000 2729.8792 6229.9703 301.5228 3500.0912 6266.0697 299.8636 PRESSURE: 2484000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2484000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2484000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2484000 0 0 0 0 0 0 0 0 0 TIMING: 2484000 CPU: 9983.67, 0.0039465/step Wall: 9983.67, 0.0039465/step, 0.01754 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2484000 665.5331 1848.0456 1960.6337 101.7340 0.3749 -1074.5478 0.0000 0.0000 2763.2165 6264.9900 305.2050 3501.7735 6299.3833 301.9449 PRESSURE: 2484200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2484200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2484200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2484200 0 0 0 0 0 0 0 0 0 TIMING: 2484200 CPU: 9984.46, 0.00394192/step Wall: 9984.46, 0.00394192/step, 0.0173006 hours remaining, 114.824219 MB of memory in use. ENERGY: 2484200 666.8836 1836.7062 1961.7801 105.9871 4.7991 -1061.8360 0.0000 0.0000 2724.0931 6238.4132 300.8837 3514.3200 6272.3323 300.3589 LDB: ============= START OF LOAD BALANCING ============== 9987.42 LDB: ============== END OF LOAD BALANCING =============== 9987.42 LDB: =============== DONE WITH MIGRATION ================ 9987.42 LDB: ============= START OF LOAD BALANCING ============== 9987.81 LDB: ============== END OF LOAD BALANCING =============== 9987.81 LDB: =============== DONE WITH MIGRATION ================ 9987.81 PRESSURE: 2484400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2484400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2484400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2484400 0 0 0 0 0 0 0 0 0 TIMING: 2484400 CPU: 9985.25, 0.0039519/step Wall: 9985.25, 0.0039519/step, 0.0171249 hours remaining, 114.824219 MB of memory in use. ENERGY: 2484400 667.6692 1840.6917 1986.8487 110.8125 2.1043 -1081.5137 0.0000 0.0000 2728.4104 6255.0232 301.3605 3526.6127 6286.2128 301.1633 PRESSURE: 2484600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2484600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2484600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2484600 0 0 0 0 0 0 0 0 0 TIMING: 2484600 CPU: 9986.04, 0.00394867/step Wall: 9986.04, 0.00394867/step, 0.0168915 hours remaining, 114.824219 MB of memory in use. ENERGY: 2484600 660.8899 1838.1867 1960.3006 111.9863 0.8374 -1108.0481 0.0000 0.0000 2811.6273 6275.7802 310.5521 3464.1529 6310.3551 304.5042 PRESSURE: 2484800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2484800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2484800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2484800 0 0 0 0 0 0 0 0 0 TIMING: 2484800 CPU: 9986.83, 0.00394729/step Wall: 9986.83, 0.00394729/step, 0.0166663 hours remaining, 114.824219 MB of memory in use. ENERGY: 2484800 675.1895 1844.1364 1964.2850 94.1364 3.0199 -1077.8528 0.0000 0.0000 2714.0640 6216.9784 299.7759 3502.9144 6248.2601 302.0300 PRESSURE: 2485000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2485000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2485000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2485000 0 0 0 0 0 0 0 0 0 TIMING: 2485000 CPU: 9987.62, 0.00394744/step Wall: 9987.62, 0.00394744/step, 0.0164477 hours remaining, 114.824219 MB of memory in use. ENERGY: 2485000 667.5474 1842.2168 1964.5344 101.5872 3.0522 -1081.0540 0.0000 0.0000 2726.6202 6224.5042 301.1628 3497.8840 6258.9367 299.4066 PRESSURE: 2485200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2485200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2485200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2485200 0 0 0 0 0 0 0 0 0 TIMING: 2485200 CPU: 9988.4, 0.00394112/step Wall: 9988.4, 0.00394112/step, 0.0162024 hours remaining, 114.824219 MB of memory in use. ENERGY: 2485200 626.2409 1848.9986 1942.2630 106.9063 1.7743 -1046.2253 0.0000 0.0000 2659.6906 6139.6484 293.7702 3479.9578 6172.0538 297.5348 PRESSURE: 2485400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2485400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2485400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2485400 0 0 0 0 0 0 0 0 0 TIMING: 2485400 CPU: 9989.19, 0.00394711/step Wall: 9989.19, 0.00394711/step, 0.0160077 hours remaining, 114.824219 MB of memory in use. ENERGY: 2485400 624.6098 1825.0117 1930.7486 110.2917 1.4667 -1053.5803 0.0000 0.0000 2683.5086 6122.0569 296.4010 3438.5483 6152.7642 296.7063 PRESSURE: 2485600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2485600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2485600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2485600 0 0 0 0 0 0 0 0 0 TIMING: 2485600 CPU: 9989.98, 0.00394647/step Wall: 9989.98, 0.00394647/step, 0.0157859 hours remaining, 114.824219 MB of memory in use. ENERGY: 2485600 655.3858 1826.9709 1955.0460 93.0018 2.6426 -1092.3850 0.0000 0.0000 2678.5241 6119.1862 295.8504 3440.6621 6152.2955 294.1512 PRESSURE: 2485800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2485800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2485800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2485800 0 0 0 0 0 0 0 0 0 TIMING: 2485800 CPU: 9990.77, 0.00394971/step Wall: 9990.77, 0.00394971/step, 0.0155794 hours remaining, 114.824219 MB of memory in use. ENERGY: 2485800 633.2288 1832.1518 1970.2473 107.9098 1.6768 -1058.5849 0.0000 0.0000 2654.3624 6140.9921 293.1817 3486.6297 6171.7941 294.6954 PRESSURE: 2486000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2486000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2486000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2486000 0 0 0 0 0 0 0 0 0 TIMING: 2486000 CPU: 9991.56, 0.00394171/step Wall: 9991.56, 0.00394171/step, 0.0153289 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2486000 642.9465 1836.1016 1943.5697 103.6936 1.5824 -1083.9007 0.0000 0.0000 2675.6745 6119.6677 295.5357 3443.9932 6154.7715 294.5830 PRESSURE: 2486200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2486200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2486200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2486200 0 0 0 0 0 0 0 0 0 TIMING: 2486200 CPU: 9992.35, 0.00394853/step Wall: 9992.35, 0.00394853/step, 0.015136 hours remaining, 114.824219 MB of memory in use. ENERGY: 2486200 640.6574 1801.8357 1931.0797 100.7241 2.7562 -1069.2187 0.0000 0.0000 2673.8893 6081.7236 295.3385 3407.8343 6114.8893 293.1144 PRESSURE: 2486400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2486400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2486400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2486400 0 0 0 0 0 0 0 0 0 TIMING: 2486400 CPU: 9993.14, 0.00394746/step Wall: 9993.14, 0.00394746/step, 0.0149126 hours remaining, 114.824219 MB of memory in use. ENERGY: 2486400 651.8942 1852.5155 1992.6868 116.9604 2.5578 -1082.6890 0.0000 0.0000 2619.3729 6153.2987 289.3170 3533.9257 6183.6155 295.8613 PRESSURE: 2486600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2486600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2486600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2486600 0 0 0 0 0 0 0 0 0 TIMING: 2486600 CPU: 9993.93, 0.0039488/step Wall: 9993.93, 0.0039488/step, 0.0146983 hours remaining, 114.824219 MB of memory in use. ENERGY: 2486600 654.4515 1856.4405 1969.7623 110.9892 1.7349 -1080.4835 0.0000 0.0000 2673.7475 6186.6424 295.3229 3512.8949 6218.1184 296.5084 PRESSURE: 2486800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2486800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2486800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2486800 0 0 0 0 0 0 0 0 0 TIMING: 2486800 CPU: 9994.72, 0.00395095/step Wall: 9994.72, 0.00395095/step, 0.0144868 hours remaining, 114.824219 MB of memory in use. ENERGY: 2486800 683.6349 1817.2721 1987.4359 109.6610 1.9305 -1090.7354 0.0000 0.0000 2693.1248 6202.3239 297.4631 3509.1991 6234.3927 299.8449 PRESSURE: 2487000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2487000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2487000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2487000 0 0 0 0 0 0 0 0 0 TIMING: 2487000 CPU: 9995.51, 0.00394357/step Wall: 9995.51, 0.00394357/step, 0.0142407 hours remaining, 114.824219 MB of memory in use. ENERGY: 2487000 642.4681 1883.7317 1979.6168 112.8245 0.5508 -1069.3235 0.0000 0.0000 2684.9535 6234.8220 296.5606 3549.8685 6265.2892 300.4989 PRESSURE: 2487200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2487200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2487200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2487200 0 0 0 0 0 0 0 0 0 TIMING: 2487200 CPU: 9996.3, 0.00394983/step Wall: 9996.3, 0.00394983/step, 0.0140438 hours remaining, 114.824219 MB of memory in use. ENERGY: 2487200 657.3068 1854.5052 1994.1093 116.9487 1.8678 -1092.0245 0.0000 0.0000 2754.8161 6287.5295 304.2771 3532.7134 6321.0884 302.3883 PRESSURE: 2487400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2487400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2487400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2487400 0 0 0 0 0 0 0 0 0 TIMING: 2487400 CPU: 9997.09, 0.00395166/step Wall: 9997.09, 0.00395166/step, 0.0138308 hours remaining, 114.824219 MB of memory in use. ENERGY: 2487400 652.5032 1821.4568 1972.3217 99.2790 1.4280 -1075.9686 0.0000 0.0000 2710.6622 6181.6823 299.4002 3471.0201 6216.5775 302.4282 PRESSURE: 2487600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2487600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2487600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2487600 0 0 0 0 0 0 0 0 0 TIMING: 2487600 CPU: 9997.88, 0.00394981/step Wall: 9997.88, 0.00394981/step, 0.0136049 hours remaining, 114.824219 MB of memory in use. ENERGY: 2487600 680.2731 1889.1559 1974.1214 105.0085 1.3624 -1100.6638 0.0000 0.0000 2679.0827 6228.3401 295.9121 3549.2574 6257.3006 299.2743 PRESSURE: 2487800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2487800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2487800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2487800 0 0 0 0 0 0 0 0 0 TIMING: 2487800 CPU: 9998.67, 0.00395103/step Wall: 9998.67, 0.00395103/step, 0.0133896 hours remaining, 114.824219 MB of memory in use. ENERGY: 2487800 683.5310 1887.4775 1924.4367 101.7062 1.0780 -1099.0706 0.0000 0.0000 2711.0040 6210.1627 299.4379 3499.1587 6244.4455 302.3011 PRESSURE: 2488000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2488000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2488000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2488000 0 0 0 0 0 0 0 0 0 TIMING: 2488000 CPU: 9999.46, 0.00394508/step Wall: 9999.46, 0.00394508/step, 0.0131503 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2488000 624.5889 1894.7047 1928.1487 99.0530 2.1979 -1081.5052 0.0000 0.0000 2723.9718 6191.1599 300.8703 3467.1881 6227.4855 299.8798 PRESSURE: 2488200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2488200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2488200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2488200 0 0 0 0 0 0 0 0 0 TIMING: 2488200 CPU: 10000.2, 0.00394973/step Wall: 10000.2, 0.00394973/step, 0.0129463 hours remaining, 114.824219 MB of memory in use. ENERGY: 2488200 638.2688 1803.4134 1946.5570 101.5898 0.8822 -1046.3903 0.0000 0.0000 2695.6018 6139.9227 297.7367 3444.3208 6172.2096 294.7663 LDB: ============= START OF LOAD BALANCING ============== 10003.2 LDB: ============== END OF LOAD BALANCING =============== 10003.2 LDB: =============== DONE WITH MIGRATION ================ 10003.2 LDB: ============= START OF LOAD BALANCING ============== 10003.6 LDB: ============== END OF LOAD BALANCING =============== 10003.6 LDB: =============== DONE WITH MIGRATION ================ 10003.6 PRESSURE: 2488400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2488400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2488400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2488400 0 0 0 0 0 0 0 0 0 TIMING: 2488400 CPU: 10001, 0.00395726/step Wall: 10001, 0.00395726/step, 0.0127512 hours remaining, 114.824219 MB of memory in use. ENERGY: 2488400 628.1304 1881.1791 1940.4273 119.6273 2.1962 -1054.8063 0.0000 0.0000 2636.1614 6152.9154 291.1714 3516.7540 6184.7946 294.4994 PRESSURE: 2488600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2488600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2488600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2488600 0 0 0 0 0 0 0 0 0 TIMING: 2488600 CPU: 10001.8, 0.00395112/step Wall: 10001.8, 0.00395112/step, 0.0125119 hours remaining, 114.824219 MB of memory in use. ENERGY: 2488600 668.5622 1829.5746 1942.3646 104.2877 2.0840 -1076.4337 0.0000 0.0000 2660.1823 6130.6217 293.8245 3470.4394 6160.3707 296.0539 PRESSURE: 2488800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2488800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2488800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2488800 0 0 0 0 0 0 0 0 0 TIMING: 2488800 CPU: 10002.6, 0.0039438/step Wall: 10002.6, 0.0039438/step, 0.0122696 hours remaining, 114.824219 MB of memory in use. ENERGY: 2488800 683.9756 1818.7359 1979.1542 109.9252 0.9186 -1096.5765 0.0000 0.0000 2608.5475 6104.6804 288.1213 3496.1329 6136.5009 294.9871 PRESSURE: 2489000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2489000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2489000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2489000 0 0 0 0 0 0 0 0 0 TIMING: 2489000 CPU: 10003.4, 0.0039513/step Wall: 10003.4, 0.0039513/step, 0.0120734 hours remaining, 114.824219 MB of memory in use. ENERGY: 2489000 641.4473 1841.9441 1919.0634 113.0234 1.8410 -1037.6974 0.0000 0.0000 2658.5105 6138.1324 293.6399 3479.6219 6172.1321 294.9549 PRESSURE: 2489200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2489200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2489200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2489200 0 0 0 0 0 0 0 0 0 TIMING: 2489200 CPU: 10004.2, 0.00395195/step Wall: 10004.2, 0.00395195/step, 0.0118559 hours remaining, 114.824219 MB of memory in use. ENERGY: 2489200 635.3324 1853.0823 1954.8221 95.9743 2.0935 -1083.2142 0.0000 0.0000 2677.0596 6135.1500 295.6887 3458.0904 6166.3924 295.2399 PRESSURE: 2489400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2489400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2489400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2489400 0 0 0 0 0 0 0 0 0 TIMING: 2489400 CPU: 10005, 0.00395177/step Wall: 10005, 0.00395177/step, 0.0116358 hours remaining, 114.824219 MB of memory in use. ENERGY: 2489400 631.0115 1845.7886 1930.1221 106.3401 1.5187 -1090.2715 0.0000 0.0000 2691.2444 6115.7538 297.2554 3424.5094 6150.4274 296.4030 PRESSURE: 2489600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2489600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2489600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2489600 0 0 0 0 0 0 0 0 0 TIMING: 2489600 CPU: 10005.8, 0.00395343/step Wall: 10005.8, 0.00395343/step, 0.011421 hours remaining, 114.824219 MB of memory in use. ENERGY: 2489600 667.0782 1819.2923 1918.6525 111.9000 1.8062 -1090.6477 0.0000 0.0000 2666.1225 6094.2039 294.4807 3428.0815 6128.0341 295.3191 PRESSURE: 2489800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2489800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2489800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2489800 0 0 0 0 0 0 0 0 0 TIMING: 2489800 CPU: 10006.6, 0.00396322/step Wall: 10006.6, 0.00396322/step, 0.0112291 hours remaining, 114.824219 MB of memory in use. ENERGY: 2489800 657.4109 1832.1187 1950.6828 105.9174 1.6419 -1120.6024 0.0000 0.0000 2640.3280 6067.4972 291.6316 3427.1692 6100.0878 293.7408 PRESSURE: 2490000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2490000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2490000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2490000 0 0 0 0 0 0 0 0 0 TIMING: 2490000 CPU: 10007.4, 0.00395655/step Wall: 10007.4, 0.00395655/step, 0.0109904 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2490000 644.6543 1796.0830 1966.9993 102.5869 1.0391 -1082.6175 0.0000 0.0000 2703.2522 6131.9973 298.5817 3428.7451 6163.1487 294.2083 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2490000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2490000 WRITING COORDINATES TO RESTART FILE AT STEP 2490000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2490000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2490200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2490200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2490200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2490200 0 0 0 0 0 0 0 0 0 TIMING: 2490200 CPU: 10008.2, 0.00429749/step Wall: 10008.2, 0.00429749/step, 0.0116987 hours remaining, 114.824219 MB of memory in use. ENERGY: 2490200 640.8685 1837.1150 1931.6787 104.2876 1.2190 -1073.5042 0.0000 0.0000 2655.2555 6096.9201 293.2804 3441.6646 6128.3759 295.2071 PRESSURE: 2490400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2490400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2490400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2490400 0 0 0 0 0 0 0 0 0 TIMING: 2490400 CPU: 10009, 0.00395006/step Wall: 10009, 0.00395006/step, 0.0105335 hours remaining, 114.824219 MB of memory in use. ENERGY: 2490400 657.7832 1833.0871 1934.0342 94.4844 1.6740 -1090.6817 0.0000 0.0000 2661.1819 6091.5629 293.9350 3430.3810 6124.1832 294.4405 PRESSURE: 2490600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2490600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2490600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2490600 0 0 0 0 0 0 0 0 0 TIMING: 2490600 CPU: 10009.8, 0.00394944/step Wall: 10009.8, 0.00394944/step, 0.0103124 hours remaining, 114.824219 MB of memory in use. ENERGY: 2490600 633.2562 1875.7872 1936.6619 93.3441 2.4648 -1105.8734 0.0000 0.0000 2700.4274 6136.0682 298.2697 3435.6408 6168.3293 293.8673 PRESSURE: 2490800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2490800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2490800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2490800 0 0 0 0 0 0 0 0 0 TIMING: 2490800 CPU: 10010.6, 0.00394203/step Wall: 10010.6, 0.00394203/step, 0.0100741 hours remaining, 114.824219 MB of memory in use. ENERGY: 2490800 680.4861 1843.7990 1943.5771 104.8179 0.8120 -1106.7856 0.0000 0.0000 2676.7631 6143.4697 295.6559 3466.7067 6176.0987 296.2253 PRESSURE: 2491000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2491000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2491000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2491000 0 0 0 0 0 0 0 0 0 TIMING: 2491000 CPU: 10011.4, 0.00394822/step Wall: 10011.4, 0.00394822/step, 0.00987054 hours remaining, 114.824219 MB of memory in use. ENERGY: 2491000 643.3564 1837.9589 1958.9397 99.3253 1.1253 -1116.1804 0.0000 0.0000 2686.8565 6111.3818 296.7708 3424.5253 6142.0760 296.9794 PRESSURE: 2491200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2491200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2491200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2491200 0 0 0 0 0 0 0 0 0 TIMING: 2491200 CPU: 10012.2, 0.00394813/step Wall: 10012.2, 0.00394813/step, 0.00965098 hours remaining, 114.824219 MB of memory in use. ENERGY: 2491200 626.3529 1879.6158 1925.5031 116.7678 1.4189 -1108.0596 0.0000 0.0000 2694.1003 6135.6993 297.5709 3441.5989 6169.6531 293.2564 PRESSURE: 2491400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2491400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2491400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2491400 0 0 0 0 0 0 0 0 0 TIMING: 2491400 CPU: 10013, 0.003949/step Wall: 10013, 0.003949/step, 0.00943371 hours remaining, 114.824219 MB of memory in use. ENERGY: 2491400 684.7269 1847.0264 1962.2806 103.9403 1.4921 -1105.3757 0.0000 0.0000 2691.3475 6185.4380 297.2668 3494.0905 6218.1490 297.7472 PRESSURE: 2491600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2491600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2491600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2491600 0 0 0 0 0 0 0 0 0 TIMING: 2491600 CPU: 10013.8, 0.00394969/step Wall: 10013.8, 0.00394969/step, 0.00921595 hours remaining, 114.824219 MB of memory in use. ENERGY: 2491600 668.8592 1881.6780 1937.4300 105.1474 1.0150 -1094.8832 0.0000 0.0000 2718.5125 6217.7589 300.2673 3499.2464 6252.2814 299.4115 PRESSURE: 2491800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2491800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2491800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2491800 0 0 0 0 0 0 0 0 0 TIMING: 2491800 CPU: 10014.5, 0.0039429/step Wall: 10014.5, 0.0039429/step, 0.00898105 hours remaining, 114.824219 MB of memory in use. ENERGY: 2491800 668.1483 1893.9989 1939.1854 106.4942 0.7857 -1093.8754 0.0000 0.0000 2710.9014 6225.6386 299.4266 3514.7372 6256.0725 300.6024 PRESSURE: 2492000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2492000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2492000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2492000 0 0 0 0 0 0 0 0 0 TIMING: 2492000 CPU: 10015.3, 0.00395128/step Wall: 10015.3, 0.00395128/step, 0.00878062 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2492000 638.0730 1856.4264 1972.0068 115.1037 1.5795 -1042.3457 0.0000 0.0000 2670.1588 6211.0025 294.9265 3540.8437 6244.4793 301.0819 PRESSURE: 2492200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2492200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2492200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2492200 0 0 0 0 0 0 0 0 0 TIMING: 2492200 CPU: 10016.1, 0.00394924/step Wall: 10016.1, 0.00394924/step, 0.00855669 hours remaining, 114.824219 MB of memory in use. ENERGY: 2492200 669.6510 1826.6062 1956.7117 101.6591 -0.3771 -1067.2954 0.0000 0.0000 2740.7866 6227.7421 302.7275 3486.9555 6262.3312 301.9814 LDB: ============= START OF LOAD BALANCING ============== 10019.1 LDB: ============== END OF LOAD BALANCING =============== 10019.1 LDB: =============== DONE WITH MIGRATION ================ 10019.1 LDB: ============= START OF LOAD BALANCING ============== 10019.5 LDB: ============== END OF LOAD BALANCING =============== 10019.5 LDB: =============== DONE WITH MIGRATION ================ 10019.5 PRESSURE: 2492400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2492400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2492400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2492400 0 0 0 0 0 0 0 0 0 TIMING: 2492400 CPU: 10016.9, 0.00395296/step Wall: 10016.9, 0.00395296/step, 0.00834515 hours remaining, 114.824219 MB of memory in use. ENERGY: 2492400 655.8188 1877.0638 1920.5522 106.8473 1.5472 -1077.8177 0.0000 0.0000 2729.2826 6213.2942 301.4569 3484.0116 6249.6394 301.1096 PRESSURE: 2492600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2492600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2492600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2492600 0 0 0 0 0 0 0 0 0 TIMING: 2492600 CPU: 10017.7, 0.00395184/step Wall: 10017.7, 0.00395184/step, 0.00812323 hours remaining, 114.824219 MB of memory in use. ENERGY: 2492600 665.6313 1872.9441 1969.9874 109.0900 0.2277 -1131.0490 0.0000 0.0000 2762.1308 6248.9624 305.0850 3486.8316 6283.6756 300.8807 PRESSURE: 2492800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2492800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2492800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2492800 0 0 0 0 0 0 0 0 0 TIMING: 2492800 CPU: 10018.5, 0.00394222/step Wall: 10018.5, 0.00394222/step, 0.00788444 hours remaining, 114.824219 MB of memory in use. ENERGY: 2492800 663.4938 1846.4099 1973.4218 111.5938 1.9537 -1093.2701 0.0000 0.0000 2760.9815 6264.5844 304.9581 3503.6028 6300.7456 301.2978 PRESSURE: 2493000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2493000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2493000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2493000 0 0 0 0 0 0 0 0 0 TIMING: 2493000 CPU: 10019.3, 0.00395505/step Wall: 10019.3, 0.00395505/step, 0.00769038 hours remaining, 114.824219 MB of memory in use. ENERGY: 2493000 697.7282 1903.1155 1902.5591 100.6706 1.3906 -1066.3758 0.0000 0.0000 2714.4343 6253.5226 299.8168 3539.0882 6283.9353 302.2324 PRESSURE: 2493200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2493200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2493200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2493200 0 0 0 0 0 0 0 0 0 TIMING: 2493200 CPU: 10020.1, 0.00395085/step Wall: 10020.1, 0.00395085/step, 0.00746271 hours remaining, 114.824219 MB of memory in use. ENERGY: 2493200 644.3682 1877.3229 1949.8538 99.2167 1.5520 -1074.6665 0.0000 0.0000 2696.8567 6194.5039 297.8753 3497.6472 6228.5581 299.7790 PRESSURE: 2493400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2493400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2493400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2493400 0 0 0 0 0 0 0 0 0 TIMING: 2493400 CPU: 10020.9, 0.00395249/step Wall: 10020.9, 0.00395249/step, 0.00724624 hours remaining, 114.824219 MB of memory in use. ENERGY: 2493400 629.2133 1879.9225 1961.2796 95.4156 -0.0585 -1075.0932 0.0000 0.0000 2728.0708 6218.7501 301.3230 3490.6792 6252.5963 300.0914 PRESSURE: 2493600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2493600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2493600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2493600 0 0 0 0 0 0 0 0 0 TIMING: 2493600 CPU: 10021.6, 0.00394578/step Wall: 10021.6, 0.00394578/step, 0.00701473 hours remaining, 114.824219 MB of memory in use. ENERGY: 2493600 680.3021 1852.7403 1965.8241 110.2465 1.4214 -1118.5749 0.0000 0.0000 2695.1046 6187.0642 297.6818 3491.9595 6220.3413 298.8713 PRESSURE: 2493800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2493800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2493800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2493800 0 0 0 0 0 0 0 0 0 TIMING: 2493800 CPU: 10022.4, 0.00395228/step Wall: 10022.4, 0.00395228/step, 0.0068067 hours remaining, 114.824219 MB of memory in use. ENERGY: 2493800 657.1166 1814.4998 1974.1233 102.7444 -1.0531 -1089.8597 0.0000 0.0000 2726.3983 6183.9697 301.1383 3457.5714 6216.7091 298.2734 PRESSURE: 2494000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2494000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2494000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2494000 0 0 0 0 0 0 0 0 0 TIMING: 2494000 CPU: 10023.2, 0.00395195/step Wall: 10023.2, 0.00395195/step, 0.00658658 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2494000 662.3161 1876.5342 1975.2607 98.7827 1.0531 -1093.2414 0.0000 0.0000 2686.4442 6207.1496 296.7252 3520.7054 6240.3811 299.4512 PRESSURE: 2494200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2494200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2494200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2494200 0 0 0 0 0 0 0 0 0 TIMING: 2494200 CPU: 10024, 0.00395242/step Wall: 10024, 0.00395242/step, 0.0063678 hours remaining, 114.824219 MB of memory in use. ENERGY: 2494200 646.0021 1875.2292 1960.5179 111.0085 0.7060 -1053.8225 0.0000 0.0000 2668.3049 6207.9459 294.7217 3539.6410 6238.3606 299.9520 PRESSURE: 2494400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2494400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2494400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2494400 0 0 0 0 0 0 0 0 0 TIMING: 2494400 CPU: 10024.8, 0.00395157/step Wall: 10024.8, 0.00395157/step, 0.00614688 hours remaining, 114.824219 MB of memory in use. ENERGY: 2494400 701.6725 1825.5507 1950.7917 111.5780 1.3307 -1078.0400 0.0000 0.0000 2615.3002 6128.1838 288.8672 3512.8836 6159.1964 299.1126 PRESSURE: 2494600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2494600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2494600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2494600 0 0 0 0 0 0 0 0 0 TIMING: 2494600 CPU: 10025.6, 0.00394652/step Wall: 10025.6, 0.00394652/step, 0.00591977 hours remaining, 114.824219 MB of memory in use. ENERGY: 2494600 663.1114 1842.8682 1914.3298 111.8998 1.1166 -1103.2747 0.0000 0.0000 2731.9622 6162.0132 301.7528 3430.0511 6195.8583 296.6489 PRESSURE: 2494800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2494800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2494800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2494800 0 0 0 0 0 0 0 0 0 TIMING: 2494800 CPU: 10026.4, 0.00395254/step Wall: 10026.4, 0.00395254/step, 0.00570923 hours remaining, 114.824219 MB of memory in use. ENERGY: 2494800 654.8537 1854.5371 1949.3875 108.6885 0.8447 -1099.3661 0.0000 0.0000 2710.7179 6179.6632 299.4063 3468.9453 6212.5623 297.5957 PRESSURE: 2495000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2495000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2495000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2495000 0 0 0 0 0 0 0 0 0 TIMING: 2495000 CPU: 10027.2, 0.00395134/step Wall: 10027.2, 0.00395134/step, 0.00548798 hours remaining, 114.824219 MB of memory in use. ENERGY: 2495000 687.1643 1856.5701 1970.4361 120.5477 1.1372 -1113.4900 0.0000 0.0000 2691.6849 6214.0504 297.3041 3522.3655 6246.8881 300.2846 PRESSURE: 2495200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2495200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2495200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2495200 0 0 0 0 0 0 0 0 0 TIMING: 2495200 CPU: 10028, 0.00395078/step Wall: 10028, 0.00395078/step, 0.00526771 hours remaining, 114.824219 MB of memory in use. ENERGY: 2495200 663.2748 1860.4579 1963.8275 97.1375 0.7834 -1099.2762 0.0000 0.0000 2746.2237 6232.4286 303.3281 3486.2049 6263.7523 301.2496 PRESSURE: 2495400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2495400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2495400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2495400 0 0 0 0 0 0 0 0 0 TIMING: 2495400 CPU: 10028.8, 0.00395187/step Wall: 10028.8, 0.00395187/step, 0.00504961 hours remaining, 114.824219 MB of memory in use. ENERGY: 2495400 681.6645 1835.1142 1964.1461 122.0022 2.4498 -1106.7194 0.0000 0.0000 2767.2664 6265.9238 305.6523 3498.6574 6300.0601 302.5094 PRESSURE: 2495600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2495600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2495600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2495600 0 0 0 0 0 0 0 0 0 TIMING: 2495600 CPU: 10029.6, 0.00394602/step Wall: 10029.6, 0.00394602/step, 0.00482292 hours remaining, 114.824219 MB of memory in use. ENERGY: 2495600 688.3180 1838.9656 1960.3294 112.4704 1.6136 -1097.8287 0.0000 0.0000 2715.7763 6219.6445 299.9651 3503.8682 6252.1187 302.3357 PRESSURE: 2495800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2495800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2495800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2495800 0 0 0 0 0 0 0 0 0 TIMING: 2495800 CPU: 10030.3, 0.00395252/step Wall: 10030.3, 0.00395252/step, 0.00461127 hours remaining, 114.824219 MB of memory in use. ENERGY: 2495800 662.1529 1844.1366 1961.3606 114.4006 2.0745 -1127.5302 0.0000 0.0000 2737.2175 6193.8125 302.3333 3456.5950 6226.2275 300.5884 PRESSURE: 2496000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2496000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2496000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2496000 0 0 0 0 0 0 0 0 0 TIMING: 2496000 CPU: 10031.1, 0.00395375/step Wall: 10031.1, 0.00395375/step, 0.00439305 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2496000 705.9234 1861.5174 1951.0163 108.6688 -0.5155 -1136.9671 0.0000 0.0000 2715.5498 6205.1931 299.9400 3489.6433 6240.8174 299.2473 PRESSURE: 2496200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2496200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2496200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2496200 0 0 0 0 0 0 0 0 0 TIMING: 2496200 CPU: 10031.9, 0.00395183/step Wall: 10031.9, 0.00395183/step, 0.00417138 hours remaining, 114.824219 MB of memory in use. ENERGY: 2496200 630.3321 1828.8584 1967.8772 117.4072 1.8697 -1099.1952 0.0000 0.0000 2789.9217 6237.0712 308.1546 3447.1495 6273.6865 301.0246 LDB: ============= START OF LOAD BALANCING ============== 10034.9 LDB: ============== END OF LOAD BALANCING =============== 10034.9 LDB: =============== DONE WITH MIGRATION ================ 10034.9 LDB: ============= START OF LOAD BALANCING ============== 10035.3 LDB: ============== END OF LOAD BALANCING =============== 10035.3 LDB: =============== DONE WITH MIGRATION ================ 10035.3 PRESSURE: 2496400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2496400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2496400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2496400 0 0 0 0 0 0 0 0 0 TIMING: 2496400 CPU: 10032.7, 0.00395794/step Wall: 10032.7, 0.00395794/step, 0.00395794 hours remaining, 114.824219 MB of memory in use. ENERGY: 2496400 659.2315 1831.4245 1977.5575 97.5171 0.9490 -1134.5599 0.0000 0.0000 2761.7614 6193.8812 305.0442 3432.1198 6228.0341 300.7383 PRESSURE: 2496600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2496600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2496600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2496600 0 0 0 0 0 0 0 0 0 TIMING: 2496600 CPU: 10033.5, 0.00394632/step Wall: 10033.5, 0.00394632/step, 0.00372708 hours remaining, 114.824219 MB of memory in use. ENERGY: 2496600 667.7594 1848.8311 1985.8806 111.2682 2.0140 -1110.0554 0.0000 0.0000 2732.4010 6238.0989 301.8013 3505.6979 6269.2145 301.0464 PRESSURE: 2496800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2496800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2496800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2496800 0 0 0 0 0 0 0 0 0 TIMING: 2496800 CPU: 10034.3, 0.00395321/step Wall: 10034.3, 0.00395321/step, 0.00351396 hours remaining, 114.824219 MB of memory in use. ENERGY: 2496800 673.5948 1897.4278 1974.9837 119.5150 1.5584 -1088.9635 0.0000 0.0000 2664.4179 6242.5342 294.2924 3578.1162 6273.8798 302.5868 PRESSURE: 2497000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2497000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2497000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2497000 0 0 0 0 0 0 0 0 0 TIMING: 2497000 CPU: 10035.1, 0.00395278/step Wall: 10035.1, 0.00395278/step, 0.00329398 hours remaining, 114.824219 MB of memory in use. ENERGY: 2497000 634.7919 1867.7236 1954.8329 106.4241 1.2225 -1100.3531 0.0000 0.0000 2739.3646 6204.0066 302.5705 3464.6420 6238.1307 299.6178 PRESSURE: 2497200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2497200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2497200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2497200 0 0 0 0 0 0 0 0 0 TIMING: 2497200 CPU: 10035.9, 0.00395169/step Wall: 10035.9, 0.00395169/step, 0.00307354 hours remaining, 114.824219 MB of memory in use. ENERGY: 2497200 685.8392 1910.2065 1968.5158 98.1613 2.4182 -1133.3854 0.0000 0.0000 2687.4828 6219.2384 296.8400 3531.7556 6251.1446 299.1830 PRESSURE: 2497400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2497400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2497400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2497400 0 0 0 0 0 0 0 0 0 TIMING: 2497400 CPU: 10036.7, 0.00394615/step Wall: 10036.7, 0.00394615/step, 0.00285 hours remaining, 114.824219 MB of memory in use. ENERGY: 2497400 661.4912 1863.5714 1949.4427 108.4085 1.3480 -1084.6231 0.0000 0.0000 2711.9668 6211.6054 299.5443 3499.6386 6246.2628 300.5233 PRESSURE: 2497600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2497600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2497600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2497600 0 0 0 0 0 0 0 0 0 TIMING: 2497600 CPU: 10037.5, 0.00395255/step Wall: 10037.5, 0.00395255/step, 0.00263504 hours remaining, 114.824219 MB of memory in use. ENERGY: 2497600 658.0169 1866.2733 1944.7791 120.2341 1.8554 -1087.3854 0.0000 0.0000 2685.7749 6189.5483 296.6513 3503.7734 6220.3206 300.0720 PRESSURE: 2497800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2497800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2497800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2497800 0 0 0 0 0 0 0 0 0 TIMING: 2497800 CPU: 10038.2, 0.00395369/step Wall: 10038.2, 0.00395369/step, 0.00241614 hours remaining, 114.824219 MB of memory in use. ENERGY: 2497800 644.8861 1894.9117 1953.4856 92.7510 1.3478 -1052.7761 0.0000 0.0000 2706.2117 6240.8177 298.9086 3534.6060 6273.0660 299.4704 PRESSURE: 2498000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2498000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2498000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2498000 0 0 0 0 0 0 0 0 0 TIMING: 2498000 CPU: 10039, 0.00395234/step Wall: 10039, 0.00395234/step, 0.00219574 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2498000 667.6485 1849.6087 1947.3872 102.6367 1.3379 -1072.6984 0.0000 0.0000 2758.7061 6254.6267 304.7068 3495.9206 6290.1113 299.9164 PRESSURE: 2498200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2498200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2498200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2498200 0 0 0 0 0 0 0 0 0 TIMING: 2498200 CPU: 10039.8, 0.00395436/step Wall: 10039.8, 0.00395436/step, 0.00197718 hours remaining, 114.824219 MB of memory in use. ENERGY: 2498200 660.1447 1819.7799 1972.6484 114.9731 0.9030 -1115.3709 0.0000 0.0000 2766.3788 6219.4571 305.5542 3453.0783 6253.9030 301.8022 PRESSURE: 2498400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2498400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2498400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2498400 0 0 0 0 0 0 0 0 0 TIMING: 2498400 CPU: 10040.6, 0.00394757/step Wall: 10040.6, 0.00394757/step, 0.00175448 hours remaining, 114.824219 MB of memory in use. ENERGY: 2498400 664.9859 1869.0326 1971.5138 107.4817 2.8307 -1100.2149 0.0000 0.0000 2707.1075 6222.7373 299.0076 3515.6298 6257.2475 300.4938 PRESSURE: 2498600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2498600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2498600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2498600 0 0 0 0 0 0 0 0 0 TIMING: 2498600 CPU: 10041.4, 0.00395708/step Wall: 10041.4, 0.00395708/step, 0.00153886 hours remaining, 114.824219 MB of memory in use. ENERGY: 2498600 704.8631 1828.3711 1938.4023 115.5605 2.2343 -1097.9041 0.0000 0.0000 2682.2984 6173.8256 296.2673 3491.5272 6206.7445 299.2142 PRESSURE: 2498800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2498800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2498800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2498800 0 0 0 0 0 0 0 0 0 TIMING: 2498800 CPU: 10042.2, 0.00395508/step Wall: 10042.2, 0.00395508/step, 0.00131836 hours remaining, 114.824219 MB of memory in use. ENERGY: 2498800 624.4273 1834.3451 1956.1277 114.5639 1.3532 -1077.5815 0.0000 0.0000 2726.2996 6179.5352 301.1274 3453.2356 6212.2450 296.7769 PRESSURE: 2499000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2499000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2499000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2499000 0 0 0 0 0 0 0 0 0 TIMING: 2499000 CPU: 10043, 0.00395458/step Wall: 10043, 0.00395458/step, 0.00109849 hours remaining, 114.824219 MB of memory in use. ENERGY: 2499000 635.6714 1886.7218 1960.2941 108.2974 1.7932 -1115.8068 0.0000 0.0000 2681.4985 6158.4696 296.1790 3476.9711 6188.4981 297.2961 PRESSURE: 2499200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2499200 0 0 0 0 0 0 0 0 0 PRESSAVG: 2499200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2499200 0 0 0 0 0 0 0 0 0 TIMING: 2499200 CPU: 10043.8, 0.00395396/step Wall: 10043.8, 0.00395396/step, 0.000878657 hours remaining, 114.824219 MB of memory in use. ENERGY: 2499200 688.6421 1819.8756 1973.2335 109.4869 2.9585 -1125.0357 0.0000 0.0000 2694.2983 6163.4590 297.5927 3469.1608 6194.0215 297.7218 PRESSURE: 2499400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2499400 0 0 0 0 0 0 0 0 0 PRESSAVG: 2499400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2499400 0 0 0 0 0 0 0 0 0 TIMING: 2499400 CPU: 10044.6, 0.00394683/step Wall: 10044.6, 0.00394683/step, 0.000657806 hours remaining, 114.824219 MB of memory in use. ENERGY: 2499400 671.9755 1843.4437 1969.4350 114.2815 2.2784 -1100.2845 0.0000 0.0000 2666.5558 6167.6854 294.5285 3501.1296 6200.9870 298.2067 PRESSURE: 2499600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2499600 0 0 0 0 0 0 0 0 0 PRESSAVG: 2499600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2499600 0 0 0 0 0 0 0 0 0 TIMING: 2499600 CPU: 10045.4, 0.00395254/step Wall: 10045.4, 0.00395254/step, 0.000439171 hours remaining, 114.824219 MB of memory in use. ENERGY: 2499600 635.6495 1873.9214 1993.4102 107.4973 1.2987 -1114.7266 0.0000 0.0000 2682.5866 6179.6372 296.2992 3497.0506 6214.8874 297.0738 PRESSURE: 2499800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2499800 0 0 0 0 0 0 0 0 0 PRESSAVG: 2499800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2499800 0 0 0 0 0 0 0 0 0 TIMING: 2499800 CPU: 10046.2, 0.00395311/step Wall: 10046.2, 0.00395311/step, 0.000219617 hours remaining, 114.824219 MB of memory in use. ENERGY: 2499800 661.6621 1909.7976 1975.3673 112.5385 0.4626 -1131.6252 0.0000 0.0000 2642.0565 6170.2596 291.8225 3528.2031 6202.4694 298.4734 PRESSURE: 2500000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2500000 0 0 0 0 0 0 0 0 0 PRESSAVG: 2500000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 2500000 0 0 0 0 0 0 0 0 0 TIMING: 2500000 CPU: 10046.9, 0.00395124/step Wall: 10046.9, 0.00395124/step, 0 hours remaining, 114.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2500000 677.8360 1902.1324 1957.0775 100.4360 1.5098 -1095.4559 0.0000 0.0000 2646.7951 6190.3308 292.3459 3543.5357 6224.2124 298.4324 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 2500000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 2500000 CLOSING COORDINATE DCD FILE MD.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 2500000 ==================================================== WallClock: 10049.636719 CPUTime: 10049.636719 Memory: 114.921875 MB [Partition 0][Node 0] End of program